USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1399 hydrogens (30 hets) HEADER APOPTOSIS 08-FEB-05 1YSN TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL TITLE 2 COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BCL-2-LIKE 1 PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BCL2L1, BCL2L, BCLX; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET30B KEYWDS COMPLEX, APOPTOSIS EXPDTA SOLUTION NMR AUTHOR T.OLTERSDORF,S.W.ELMORE,A.R.SHOEMAKER,R.C.ARMSTRONG, AUTHOR 2 D.J.AUGERI,B.A.BELLI,M.BRUNCKO,T.L.DECKWERTH,J.DINGES, AUTHOR 3 P.J.HAJDUK,M.K.JOSEPH,S.KITADA,S.J.KORSMEYER,A.R.KUNZER, AUTHOR 4 A.LETAI,C.LI,M.J.MITTEN,D.G.NETTESHEIM,S.NG,P.M.NIMMER, AUTHOR 5 J.M.O'CONNOR,A.OLEKSIJEW,A.M.PETROS,J.C.REED,W.SHEN, AUTHOR 6 S.K.TAHIR,C.B.THOMPSON,K.J.TOMASELLI,B.WANG,M.D.WENDT, AUTHOR 7 H.ZHANG,S.W.FESIK,S.H.ROSENBERG REVDAT 3 24-FEB-09 1YSN 1 VERSN REVDAT 2 18-DEC-07 1YSN 1 REMARK REVDAT 1 07-JUN-05 1YSN 0 JRNL AUTH T.OLTERSDORF,S.W.ELMORE,A.R.SHOEMAKER, JRNL AUTH 2 R.C.ARMSTRONG,D.J.AUGERI,B.A.BELLI,M.BRUNCKO, JRNL AUTH 3 T.L.DECKWERTH,J.DINGES,P.J.HAJDUK,M.K.JOSEPH, JRNL AUTH 4 S.KITADA,S.J.KORSMEYER,A.R.KUNZER,A.LETAI,C.LI, JRNL AUTH 5 M.J.MITTEN,D.G.NETTESHEIM,S.NG,P.M.NIMMER, JRNL AUTH 6 J.M.O'CONNOR,A.OLEKSIJEW,A.M.PETROS,J.C.REED, JRNL AUTH 7 W.SHEN,S.K.TAHIR,C.B.THOMPSON,K.J.TOMASELLI,B.WANG, JRNL AUTH 8 M.D.WENDT,H.ZHANG,S.W.FESIK,S.H.ROSENBERG JRNL TITL AN INHIBITOR OF BCL-2 FAMILY PROTEINS INDUCES JRNL TITL 2 REGRESSION OF SOLID TUMOURS JRNL REF NATURE V. 435 677 2005 JRNL REFN ISSN 0028-0836 JRNL PMID 15902208 JRNL DOI 10.1038/NATURE03579 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YSN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB031885. 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 : 50 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM BCL-XL U-15N,13C, 50 MM REMARK 210 SODIUM PHOSPHATE, 5 MM REMARK 210 DEUTERATED DITHIOTHREITOL, REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 13C-EDITED_12C-FILTERED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PHE A 101 CG PHE A 101 CD1 -0.776 REMARK 500 PHE A 101 CD1 PHE A 101 CE1 0.620 REMARK 500 GLU A 162 CD GLU A 162 OE2 0.110 REMARK 500 GLU A 183 CD GLU A 183 OE2 0.110 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PHE A 101 CB - CG - CD1 ANGL. DEV. = -8.3 DEGREES REMARK 500 PHE A 101 CD1 - CE1 - CZ ANGL. DEV. = -21.2 DEGREES REMARK 500 GLU A 183 N - CA - CB ANGL. DEV. = 20.8 DEGREES REMARK 500 ASP A 193 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 MET A 3 156.89 171.16 REMARK 500 ALA A 4 -152.48 -139.66 REMARK 500 TYR A 26 -172.97 -67.98 REMARK 500 SER A 27 -89.61 176.05 REMARK 500 TRP A 28 140.04 62.67 REMARK 500 SER A 29 -158.78 -179.92 REMARK 500 SER A 32 -175.74 -171.04 REMARK 500 VAL A 34 -97.04 -143.62 REMARK 500 GLU A 35 118.63 170.53 REMARK 500 ARG A 38 154.23 176.22 REMARK 500 THR A 39 80.71 -176.50 REMARK 500 GLU A 40 -73.85 -159.13 REMARK 500 ALA A 41 99.07 179.89 REMARK 500 THR A 45 130.25 58.39 REMARK 500 SER A 47 -151.79 -91.47 REMARK 500 GLU A 48 50.23 -170.47 REMARK 500 ALA A 89 -149.52 -135.67 REMARK 500 LYS A 91 -72.23 -38.14 REMARK 500 ARG A 169 -73.57 -66.32 REMARK 500 HIS A 181 10.62 -143.40 REMARK 500 LEU A 182 -45.08 -148.68 REMARK 500 ASP A 193 -31.22 -35.82 REMARK 500 LEU A 198 -71.55 -118.88 REMARK 500 TYR A 199 53.20 -102.39 REMARK 500 ASN A 201 -85.21 -43.52 REMARK 500 ASN A 202 -33.90 -35.97 REMARK 500 HIS A 217 -72.50 -65.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 PHE A 101 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 43B A 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LXL RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE SAME PROTEIN, UNCOMPLEXED REMARK 900 RELATED ID: 1MAZ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE SAME PROTEIN, UNCOMPLEXED REMARK 900 RELATED ID: 1BXL RELATED DB: NDB REMARK 900 SOLUTION STRUCTURE OF THE SAME PROTEIN COMPLEXED WITH THE REMARK 900 BAK PEPTIDE REMARK 900 RELATED ID: 1G5J RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE SAME PROTEIN COMPLEXED WITH THE REMARK 900 BAD PEPTIDE REMARK 900 RELATED ID: 1YSG RELATED DB: PDB REMARK 900 RELATED ID: 1YSI RELATED DB: PDB REMARK 900 RELATED ID: 1YSX RELATED DB: PDB REMARK 900 RELATED ID: 1YSW RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUES 49-88 (SEQUENCE DATABASE RESIDUES 45-84) REMARK 999 ARE NOT PRESENT DUE TO A LOOP DELETION. DBREF 1YSN A 5 48 UNP Q07817 BCLX_HUMAN 1 44 DBREF 1YSN A 89 213 UNP Q07817 BCLX_HUMAN 85 209 SEQADV 1YSN MET A 1 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN SER A 2 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN MET A 3 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN ALA A 4 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN LEU A 214 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN GLU A 215 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN HIS A 216 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN HIS A 217 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN HIS A 218 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN HIS A 219 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN HIS A 220 UNP Q07817 CLONING ARTIFACT SEQADV 1YSN HIS A 181 UNP Q07817 CLONING ARTIFACT SEQRES 1 A 181 MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL SEQRES 2 A 181 VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SEQRES 3 A 181 SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 181 GLU ALA PRO GLU GLY THR GLU SER GLU ALA VAL LYS GLN SEQRES 5 A 181 ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR SEQRES 6 A 181 ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE SEQRES 7 A 181 THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL SEQRES 8 A 181 ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 181 VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SEQRES 10 A 181 SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE SEQRES 11 A 181 ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU SEQRES 12 A 181 PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL SEQRES 13 A 181 GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG LYS SEQRES 14 A 181 GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS HET 43B A1000 78 HETNAM 43B 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5- HETNAM 2 43B YL]BENZOYL}-4-{[2-(PHENYLSULFANYL) HETNAM 3 43B ETHYL]AMINO}BENZENESULFONAMIDE FORMUL 2 43B C36 H30 N4 O5 S3 HELIX 1 1 GLN A 7 GLN A 23 1 17 HELIX 2 2 ALA A 89 TYR A 105 1 17 HELIX 3 3 TYR A 105 SER A 114 1 10 HELIX 4 4 ALA A 123 LEU A 134 1 12 HELIX 5 5 ASN A 140 LYS A 161 1 22 HELIX 6 6 GLN A 164 LEU A 178 1 15 HELIX 7 7 LEU A 182 GLN A 187 1 6 HELIX 8 8 GLY A 190 VAL A 196 1 7 HELIX 9 9 GLY A 200 HIS A 221 1 22 SITE *** AC1 18 ALA A 97 GLU A 100 ARG A 104 TYR A 105 SITE *** AC1 18 ALA A 108 LEU A 112 GLN A 115 VAL A 130 SITE *** AC1 18 GLU A 133 LEU A 134 ASN A 140 TRP A 141 SITE *** AC1 18 GLY A 142 ARG A 143 VAL A 145 ALA A 146 SITE *** AC1 18 PHE A 195 TYR A 199 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 177 TYR OH : rot 180:sc= -0.498 USER MOD Set 1.2: A 181 HIS : no HE2:sc= -2.36 K(o=-2.9,f=-1.6) USER MOD Set 2.1: A 119 THR OG1 : rot -53:sc= 0.585 USER MOD Set 2.2: A 122 THR OG1 : rot -140:sc= 0.344 USER MOD Set 3.1: A 3 MET CE :methyl -163:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.00886 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.46 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.548! C(o=-0.55!,f=-9.5!) USER MOD Single : A 18 SER OG : rot 73:sc= 0.845 USER MOD Single : A 19 TYR OH : rot 127:sc= 0.949 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 65:sc= -0.343! USER MOD Single : A 23 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 50:sc= 1.02 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.4!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.676 USER MOD Single : A 113 THR OG1 : rot -41:sc= -0.0853 USER MOD Single : A 114 SER OG : rot -38:sc= 0.37 USER MOD Single : A 115 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.9!) USER MOD Single : A 117 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.12) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 140 ASN : amide:sc= -2.56! C(o=-2.6!,f=-9.2!) USER MOD Single : A 149 SER OG : rot 174:sc= 0 USER MOD Single : A 155 CYS SG : rot -90:sc= -3.27! USER MOD Single : A 158 SER OG : rot 140:sc= -2.09! USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 MET CE :methyl -131:sc= -2.77! (180deg=-6.79!) USER MOD Single : A 164 GLN : amide:sc= -7.04! C(o=-7!,f=-3.4!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 174 MET CE :methyl -170:sc= -1.29 (180deg=-1.52) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= -3.76! C(o=-3.8!,f=-4.9!) USER MOD Single : A 187 GLN : amide:sc= -1.01 K(o=-1,f=-1.7!) USER MOD Single : A 189 ASN : amide:sc= -7.55! C(o=-7.5!,f=-27!) USER MOD Single : A 194 THR OG1 : rot 168:sc= 0.201 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 ASN : amide:sc= -0.689 K(o=-0.69,f=-4) USER MOD Single : A 202 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 LYS NZ :NH3+ 156:sc= -0.0703 (180deg=-0.365) USER MOD Single : A 211 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 216 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 217 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 218 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-2.9!) USER MOD Single : A 219 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.04) USER MOD Single : A 220 HIS : no HD1:sc= -3! K(o=-3!,f=-1.3) USER MOD Single : A 221 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.372 -8.689 -19.437 1.00 0.19 N ATOM 2 CA MET A 1 25.295 -8.953 -17.977 1.00 0.16 C ATOM 3 C MET A 1 25.013 -7.673 -17.198 1.00 0.12 C ATOM 4 O MET A 1 25.503 -6.599 -17.548 1.00 0.19 O ATOM 5 CB MET A 1 26.621 -9.569 -17.522 1.00 0.16 C ATOM 6 CG MET A 1 26.791 -9.613 -16.012 1.00 1.30 C ATOM 7 SD MET A 1 28.417 -9.038 -15.481 1.00 2.26 S ATOM 8 CE MET A 1 28.552 -9.833 -13.882 1.00 3.10 C ATOM 0 H1 MET A 1 26.061 -9.336 -19.871 1.00 0.19 H new ATOM 0 H2 MET A 1 24.437 -8.840 -19.867 1.00 0.19 H new ATOM 0 H3 MET A 1 25.672 -7.706 -19.597 1.00 0.19 H new ATOM 0 HA MET A 1 24.474 -9.642 -17.781 1.00 0.16 H new ATOM 0 HB2 MET A 1 26.694 -10.583 -17.916 1.00 0.16 H new ATOM 0 HB3 MET A 1 27.443 -8.999 -17.954 1.00 0.16 H new ATOM 0 HG2 MET A 1 26.022 -8.998 -15.545 1.00 1.30 H new ATOM 0 HG3 MET A 1 26.638 -10.634 -15.662 1.00 1.30 H new ATOM 0 HE1 MET A 1 29.507 -9.573 -13.426 1.00 3.10 H new ATOM 0 HE2 MET A 1 27.739 -9.496 -13.238 1.00 3.10 H new ATOM 0 HE3 MET A 1 28.492 -10.914 -14.007 1.00 3.10 H new ATOM 20 N SER A 2 24.221 -7.797 -16.139 1.00 0.12 N ATOM 21 CA SER A 2 23.871 -6.654 -15.305 1.00 0.08 C ATOM 22 C SER A 2 23.618 -7.096 -13.867 1.00 0.10 C ATOM 23 O SER A 2 23.924 -8.229 -13.495 1.00 0.16 O ATOM 24 CB SER A 2 22.632 -5.949 -15.861 1.00 0.08 C ATOM 25 OG SER A 2 22.714 -4.547 -15.669 1.00 1.09 O ATOM 0 H SER A 2 23.809 -8.680 -15.837 1.00 0.12 H new ATOM 0 HA SER A 2 24.708 -5.956 -15.313 1.00 0.08 H new ATOM 0 HB2 SER A 2 22.531 -6.168 -16.924 1.00 0.08 H new ATOM 0 HB3 SER A 2 21.739 -6.335 -15.370 1.00 0.08 H new ATOM 0 HG SER A 2 21.911 -4.119 -16.034 1.00 1.09 H new ATOM 31 N MET A 3 23.057 -6.200 -13.062 1.00 0.10 N ATOM 32 CA MET A 3 22.766 -6.511 -11.668 1.00 0.15 C ATOM 33 C MET A 3 22.330 -5.266 -10.903 1.00 0.16 C ATOM 34 O MET A 3 22.646 -4.141 -11.293 1.00 0.21 O ATOM 35 CB MET A 3 23.993 -7.131 -10.997 1.00 0.21 C ATOM 36 CG MET A 3 24.362 -6.476 -9.676 1.00 1.41 C ATOM 37 SD MET A 3 25.930 -7.074 -9.019 1.00 2.42 S ATOM 38 CE MET A 3 25.423 -7.639 -7.397 1.00 3.48 C ATOM 0 H MET A 3 22.796 -5.257 -13.349 1.00 0.10 H new ATOM 0 HA MET A 3 21.945 -7.227 -11.650 1.00 0.15 H new ATOM 0 HB2 MET A 3 23.807 -8.191 -10.827 1.00 0.21 H new ATOM 0 HB3 MET A 3 24.842 -7.061 -11.677 1.00 0.21 H new ATOM 0 HG2 MET A 3 24.418 -5.396 -9.814 1.00 1.41 H new ATOM 0 HG3 MET A 3 23.572 -6.664 -8.949 1.00 1.41 H new ATOM 0 HE1 MET A 3 26.301 -7.754 -6.761 1.00 3.48 H new ATOM 0 HE2 MET A 3 24.746 -6.910 -6.953 1.00 3.48 H new ATOM 0 HE3 MET A 3 24.914 -8.598 -7.489 1.00 3.48 H new ATOM 48 N ALA A 4 21.604 -5.477 -9.811 1.00 0.24 N ATOM 49 CA ALA A 4 21.123 -4.377 -8.983 1.00 0.27 C ATOM 50 C ALA A 4 21.238 -4.720 -7.502 1.00 0.31 C ATOM 51 O ALA A 4 22.094 -5.510 -7.104 1.00 0.59 O ATOM 52 CB ALA A 4 19.684 -4.039 -9.341 1.00 0.28 C ATOM 0 H ALA A 4 21.335 -6.403 -9.478 1.00 0.24 H new ATOM 0 HA ALA A 4 21.747 -3.504 -9.177 1.00 0.27 H new ATOM 0 HB1 ALA A 4 19.337 -3.216 -8.716 1.00 0.28 H new ATOM 0 HB2 ALA A 4 19.629 -3.746 -10.389 1.00 0.28 H new ATOM 0 HB3 ALA A 4 19.053 -4.912 -9.175 1.00 0.28 H new ATOM 58 N MET A 5 20.373 -4.124 -6.687 1.00 0.27 N ATOM 59 CA MET A 5 20.386 -4.372 -5.250 1.00 0.28 C ATOM 60 C MET A 5 18.968 -4.475 -4.697 1.00 0.19 C ATOM 61 O MET A 5 18.006 -4.617 -5.450 1.00 0.14 O ATOM 62 CB MET A 5 21.148 -3.262 -4.526 1.00 0.35 C ATOM 63 CG MET A 5 22.476 -3.719 -3.945 1.00 1.03 C ATOM 64 SD MET A 5 23.891 -3.083 -4.863 1.00 1.83 S ATOM 65 CE MET A 5 25.010 -4.479 -4.771 1.00 2.48 C ATOM 0 H MET A 5 19.656 -3.468 -6.996 1.00 0.27 H new ATOM 0 HA MET A 5 20.891 -5.323 -5.079 1.00 0.28 H new ATOM 0 HB2 MET A 5 21.327 -2.442 -5.221 1.00 0.35 H new ATOM 0 HB3 MET A 5 20.525 -2.868 -3.723 1.00 0.35 H new ATOM 0 HG2 MET A 5 22.545 -3.394 -2.907 1.00 1.03 H new ATOM 0 HG3 MET A 5 22.511 -4.808 -3.941 1.00 1.03 H new ATOM 0 HE1 MET A 5 25.935 -4.239 -5.295 1.00 2.48 H new ATOM 0 HE2 MET A 5 25.232 -4.700 -3.727 1.00 2.48 H new ATOM 0 HE3 MET A 5 24.545 -5.349 -5.235 1.00 2.48 H new ATOM 75 N SER A 6 18.848 -4.407 -3.374 1.00 0.22 N ATOM 76 CA SER A 6 17.548 -4.497 -2.718 1.00 0.15 C ATOM 77 C SER A 6 16.818 -3.159 -2.764 1.00 0.11 C ATOM 78 O SER A 6 17.200 -2.255 -3.507 1.00 0.15 O ATOM 79 CB SER A 6 17.719 -4.946 -1.266 1.00 0.17 C ATOM 80 OG SER A 6 17.622 -3.846 -0.377 1.00 1.24 O ATOM 0 H SER A 6 19.635 -4.290 -2.736 1.00 0.22 H new ATOM 0 HA SER A 6 16.950 -5.234 -3.254 1.00 0.15 H new ATOM 0 HB2 SER A 6 16.958 -5.686 -1.019 1.00 0.17 H new ATOM 0 HB3 SER A 6 18.687 -5.432 -1.144 1.00 0.17 H new ATOM 0 HG SER A 6 17.733 -4.160 0.545 1.00 1.24 H new ATOM 86 N GLN A 7 15.761 -3.042 -1.965 1.00 0.07 N ATOM 87 CA GLN A 7 14.971 -1.816 -1.915 1.00 0.09 C ATOM 88 C GLN A 7 14.840 -1.293 -0.485 1.00 0.08 C ATOM 89 O GLN A 7 14.445 -0.147 -0.271 1.00 0.11 O ATOM 90 CB GLN A 7 13.583 -2.061 -2.509 1.00 0.14 C ATOM 91 CG GLN A 7 13.579 -3.072 -3.644 1.00 1.27 C ATOM 92 CD GLN A 7 12.766 -2.609 -4.836 1.00 2.22 C ATOM 93 OE1 GLN A 7 11.567 -2.354 -4.723 1.00 2.87 O ATOM 94 NE2 GLN A 7 13.417 -2.496 -5.988 1.00 2.97 N ATOM 0 H GLN A 7 15.432 -3.781 -1.344 1.00 0.07 H new ATOM 0 HA GLN A 7 15.490 -1.060 -2.504 1.00 0.09 H new ATOM 0 HB2 GLN A 7 12.915 -2.409 -1.721 1.00 0.14 H new ATOM 0 HB3 GLN A 7 13.180 -1.116 -2.873 1.00 0.14 H new ATOM 0 HG2 GLN A 7 14.605 -3.261 -3.960 1.00 1.27 H new ATOM 0 HG3 GLN A 7 13.178 -4.018 -3.281 1.00 1.27 H new ATOM 0 HE21 GLN A 7 14.411 -2.718 -6.036 1.00 2.97 H new ATOM 0 HE22 GLN A 7 12.923 -2.187 -6.825 1.00 2.97 H new ATOM 103 N SER A 8 15.171 -2.136 0.489 1.00 0.06 N ATOM 104 CA SER A 8 15.086 -1.753 1.895 1.00 0.07 C ATOM 105 C SER A 8 15.558 -0.317 2.102 1.00 0.08 C ATOM 106 O SER A 8 14.796 0.540 2.548 1.00 0.12 O ATOM 107 CB SER A 8 15.924 -2.703 2.752 1.00 0.07 C ATOM 108 OG SER A 8 15.181 -3.854 3.114 1.00 1.29 O ATOM 0 H SER A 8 15.500 -3.088 0.331 1.00 0.06 H new ATOM 0 HA SER A 8 14.042 -1.819 2.200 1.00 0.07 H new ATOM 0 HB2 SER A 8 16.817 -3.001 2.203 1.00 0.07 H new ATOM 0 HB3 SER A 8 16.260 -2.186 3.651 1.00 0.07 H new ATOM 0 HG SER A 8 15.740 -4.446 3.660 1.00 1.29 H new ATOM 114 N ASN A 9 16.821 -0.065 1.776 1.00 0.09 N ATOM 115 CA ASN A 9 17.403 1.265 1.928 1.00 0.12 C ATOM 116 C ASN A 9 16.414 2.351 1.516 1.00 0.13 C ATOM 117 O ASN A 9 16.175 3.300 2.263 1.00 0.23 O ATOM 118 CB ASN A 9 18.678 1.379 1.093 1.00 0.13 C ATOM 119 CG ASN A 9 18.407 1.240 -0.391 1.00 1.38 C ATOM 120 OD1 ASN A 9 17.399 0.662 -0.798 1.00 2.16 O ATOM 121 ND2 ASN A 9 19.308 1.771 -1.208 1.00 2.27 N ATOM 0 H ASN A 9 17.463 -0.765 1.404 1.00 0.09 H new ATOM 0 HA ASN A 9 17.646 1.408 2.981 1.00 0.12 H new ATOM 0 HB2 ASN A 9 19.151 2.342 1.285 1.00 0.13 H new ATOM 0 HB3 ASN A 9 19.384 0.609 1.405 1.00 0.13 H new ATOM 0 HD21 ASN A 9 19.180 1.709 -2.218 1.00 2.27 H new ATOM 0 HD22 ASN A 9 20.129 2.241 -0.826 1.00 2.27 H new ATOM 128 N ARG A 10 15.844 2.209 0.323 1.00 0.07 N ATOM 129 CA ARG A 10 14.884 3.185 -0.183 1.00 0.07 C ATOM 130 C ARG A 10 13.773 3.425 0.832 1.00 0.08 C ATOM 131 O ARG A 10 13.437 4.569 1.141 1.00 0.16 O ATOM 132 CB ARG A 10 14.285 2.709 -1.508 1.00 0.09 C ATOM 133 CG ARG A 10 13.152 3.588 -2.012 1.00 1.11 C ATOM 134 CD ARG A 10 12.038 2.760 -2.633 1.00 1.26 C ATOM 135 NE ARG A 10 11.927 2.984 -4.071 1.00 1.58 N ATOM 136 CZ ARG A 10 11.176 3.937 -4.614 1.00 2.17 C ATOM 137 NH1 ARG A 10 10.474 4.754 -3.840 1.00 2.55 N ATOM 138 NH2 ARG A 10 11.126 4.075 -5.932 1.00 3.10 N ATOM 0 H ARG A 10 16.029 1.431 -0.310 1.00 0.07 H new ATOM 0 HA ARG A 10 15.412 4.124 -0.351 1.00 0.07 H new ATOM 0 HB2 ARG A 10 15.071 2.676 -2.262 1.00 0.09 H new ATOM 0 HB3 ARG A 10 13.917 1.690 -1.386 1.00 0.09 H new ATOM 0 HG2 ARG A 10 12.752 4.177 -1.186 1.00 1.11 H new ATOM 0 HG3 ARG A 10 13.537 4.293 -2.749 1.00 1.11 H new ATOM 0 HD2 ARG A 10 12.224 1.703 -2.444 1.00 1.26 H new ATOM 0 HD3 ARG A 10 11.091 3.008 -2.153 1.00 1.26 H new ATOM 0 HE ARG A 10 12.456 2.375 -4.695 1.00 1.58 H new ATOM 0 HH11 ARG A 10 10.510 4.652 -2.826 1.00 2.55 H new ATOM 0 HH12 ARG A 10 9.899 5.484 -4.259 1.00 2.55 H new ATOM 0 HH21 ARG A 10 11.664 3.449 -6.531 1.00 3.10 H new ATOM 0 HH22 ARG A 10 10.549 4.807 -6.347 1.00 3.10 H new ATOM 152 N GLU A 11 13.207 2.340 1.347 1.00 0.07 N ATOM 153 CA GLU A 11 12.133 2.432 2.328 1.00 0.08 C ATOM 154 C GLU A 11 12.509 3.385 3.457 1.00 0.09 C ATOM 155 O GLU A 11 11.653 4.069 4.016 1.00 0.18 O ATOM 156 CB GLU A 11 11.816 1.050 2.897 1.00 0.10 C ATOM 157 CG GLU A 11 10.539 0.441 2.343 1.00 1.07 C ATOM 158 CD GLU A 11 10.437 -1.045 2.621 1.00 1.66 C ATOM 159 OE1 GLU A 11 10.975 -1.837 1.819 1.00 2.12 O ATOM 160 OE2 GLU A 11 9.820 -1.417 3.641 1.00 2.42 O ATOM 0 H GLU A 11 13.474 1.387 1.102 1.00 0.07 H new ATOM 0 HA GLU A 11 11.248 2.823 1.826 1.00 0.08 H new ATOM 0 HB2 GLU A 11 12.649 0.380 2.686 1.00 0.10 H new ATOM 0 HB3 GLU A 11 11.733 1.123 3.981 1.00 0.10 H new ATOM 0 HG2 GLU A 11 9.679 0.949 2.779 1.00 1.07 H new ATOM 0 HG3 GLU A 11 10.497 0.610 1.267 1.00 1.07 H new ATOM 167 N LEU A 12 13.796 3.423 3.788 1.00 0.13 N ATOM 168 CA LEU A 12 14.285 4.293 4.850 1.00 0.14 C ATOM 169 C LEU A 12 14.092 5.757 4.478 1.00 0.14 C ATOM 170 O LEU A 12 13.616 6.556 5.285 1.00 0.28 O ATOM 171 CB LEU A 12 15.763 4.015 5.131 1.00 0.21 C ATOM 172 CG LEU A 12 16.082 2.596 5.606 1.00 1.11 C ATOM 173 CD1 LEU A 12 16.843 2.635 6.921 1.00 2.04 C ATOM 174 CD2 LEU A 12 14.808 1.775 5.752 1.00 1.96 C ATOM 0 H LEU A 12 14.518 2.862 3.336 1.00 0.13 H new ATOM 0 HA LEU A 12 13.709 4.084 5.752 1.00 0.14 H new ATOM 0 HB2 LEU A 12 16.332 4.213 4.223 1.00 0.21 H new ATOM 0 HB3 LEU A 12 16.111 4.720 5.886 1.00 0.21 H new ATOM 0 HG LEU A 12 16.711 2.118 4.855 1.00 1.11 H new ATOM 0 HD11 LEU A 12 17.062 1.618 7.245 1.00 2.04 H new ATOM 0 HD12 LEU A 12 17.776 3.181 6.785 1.00 2.04 H new ATOM 0 HD13 LEU A 12 16.237 3.134 7.677 1.00 2.04 H new ATOM 0 HD21 LEU A 12 15.060 0.770 6.091 1.00 1.96 H new ATOM 0 HD22 LEU A 12 14.151 2.250 6.481 1.00 1.96 H new ATOM 0 HD23 LEU A 12 14.300 1.717 4.789 1.00 1.96 H new ATOM 186 N VAL A 13 14.460 6.104 3.250 1.00 0.14 N ATOM 187 CA VAL A 13 14.321 7.473 2.773 1.00 0.13 C ATOM 188 C VAL A 13 12.877 7.945 2.889 1.00 0.10 C ATOM 189 O VAL A 13 12.610 9.047 3.366 1.00 0.17 O ATOM 190 CB VAL A 13 14.781 7.611 1.309 1.00 0.18 C ATOM 191 CG1 VAL A 13 14.501 9.014 0.794 1.00 1.23 C ATOM 192 CG2 VAL A 13 16.258 7.275 1.179 1.00 1.29 C ATOM 0 H VAL A 13 14.856 5.457 2.568 1.00 0.14 H new ATOM 0 HA VAL A 13 14.958 8.095 3.402 1.00 0.13 H new ATOM 0 HB VAL A 13 14.216 6.904 0.701 1.00 0.18 H new ATOM 0 HG11 VAL A 13 14.832 9.094 -0.241 1.00 1.23 H new ATOM 0 HG12 VAL A 13 13.431 9.215 0.850 1.00 1.23 H new ATOM 0 HG13 VAL A 13 15.039 9.740 1.404 1.00 1.23 H new ATOM 0 HG21 VAL A 13 16.564 7.378 0.138 1.00 1.29 H new ATOM 0 HG22 VAL A 13 16.842 7.956 1.798 1.00 1.29 H new ATOM 0 HG23 VAL A 13 16.428 6.250 1.507 1.00 1.29 H new ATOM 202 N VAL A 14 11.946 7.103 2.453 1.00 0.08 N ATOM 203 CA VAL A 14 10.528 7.440 2.512 1.00 0.08 C ATOM 204 C VAL A 14 10.056 7.562 3.956 1.00 0.09 C ATOM 205 O VAL A 14 9.620 8.629 4.389 1.00 0.15 O ATOM 206 CB VAL A 14 9.664 6.393 1.785 1.00 0.11 C ATOM 207 CG1 VAL A 14 8.383 7.029 1.266 1.00 1.37 C ATOM 208 CG2 VAL A 14 10.446 5.749 0.650 1.00 1.39 C ATOM 0 H VAL A 14 12.147 6.185 2.056 1.00 0.08 H new ATOM 0 HA VAL A 14 10.411 8.400 2.009 1.00 0.08 H new ATOM 0 HB VAL A 14 9.394 5.613 2.497 1.00 0.11 H new ATOM 0 HG11 VAL A 14 7.784 6.275 0.755 1.00 1.37 H new ATOM 0 HG12 VAL A 14 7.815 7.438 2.102 1.00 1.37 H new ATOM 0 HG13 VAL A 14 8.631 7.830 0.569 1.00 1.37 H new ATOM 0 HG21 VAL A 14 9.819 5.012 0.148 1.00 1.39 H new ATOM 0 HG22 VAL A 14 10.748 6.515 -0.064 1.00 1.39 H new ATOM 0 HG23 VAL A 14 11.332 5.258 1.052 1.00 1.39 H new ATOM 218 N ASP A 15 10.147 6.464 4.699 1.00 0.10 N ATOM 219 CA ASP A 15 9.732 6.451 6.096 1.00 0.11 C ATOM 220 C ASP A 15 10.282 7.667 6.835 1.00 0.10 C ATOM 221 O ASP A 15 9.526 8.450 7.410 1.00 0.15 O ATOM 222 CB ASP A 15 10.206 5.167 6.779 1.00 0.14 C ATOM 223 CG ASP A 15 9.116 4.523 7.614 1.00 1.11 C ATOM 224 OD1 ASP A 15 8.575 5.204 8.510 1.00 1.95 O ATOM 225 OD2 ASP A 15 8.805 3.338 7.371 1.00 1.78 O ATOM 0 H ASP A 15 10.504 5.572 4.357 1.00 0.10 H new ATOM 0 HA ASP A 15 8.643 6.489 6.128 1.00 0.11 H new ATOM 0 HB2 ASP A 15 10.546 4.460 6.022 1.00 0.14 H new ATOM 0 HB3 ASP A 15 11.063 5.391 7.414 1.00 0.14 H new ATOM 230 N PHE A 16 11.603 7.821 6.812 1.00 0.09 N ATOM 231 CA PHE A 16 12.253 8.945 7.478 1.00 0.10 C ATOM 232 C PHE A 16 11.731 10.269 6.933 1.00 0.09 C ATOM 233 O PHE A 16 11.182 11.084 7.675 1.00 0.16 O ATOM 234 CB PHE A 16 13.770 8.873 7.295 1.00 0.13 C ATOM 235 CG PHE A 16 14.447 10.210 7.405 1.00 0.89 C ATOM 236 CD1 PHE A 16 14.222 11.024 8.503 1.00 1.70 C ATOM 237 CD2 PHE A 16 15.305 10.652 6.412 1.00 1.79 C ATOM 238 CE1 PHE A 16 14.840 12.255 8.609 1.00 2.39 C ATOM 239 CE2 PHE A 16 15.927 11.882 6.512 1.00 2.48 C ATOM 240 CZ PHE A 16 15.694 12.685 7.613 1.00 2.57 C ATOM 0 H PHE A 16 12.243 7.182 6.340 1.00 0.09 H new ATOM 0 HA PHE A 16 12.021 8.886 8.541 1.00 0.10 H new ATOM 0 HB2 PHE A 16 14.188 8.200 8.044 1.00 0.13 H new ATOM 0 HB3 PHE A 16 13.991 8.441 6.319 1.00 0.13 H new ATOM 0 HD1 PHE A 16 13.556 10.692 9.285 1.00 1.70 H new ATOM 0 HD2 PHE A 16 15.490 10.029 5.550 1.00 1.79 H new ATOM 0 HE1 PHE A 16 14.655 12.880 9.470 1.00 2.39 H new ATOM 0 HE2 PHE A 16 16.594 12.216 5.731 1.00 2.48 H new ATOM 0 HZ PHE A 16 16.179 13.647 7.694 1.00 2.57 H new ATOM 250 N LEU A 17 11.906 10.475 5.631 1.00 0.07 N ATOM 251 CA LEU A 17 11.450 11.699 4.986 1.00 0.05 C ATOM 252 C LEU A 17 10.116 12.146 5.573 1.00 0.04 C ATOM 253 O LEU A 17 9.992 13.261 6.079 1.00 0.08 O ATOM 254 CB LEU A 17 11.315 11.489 3.476 1.00 0.07 C ATOM 255 CG LEU A 17 12.581 11.771 2.663 1.00 1.23 C ATOM 256 CD1 LEU A 17 12.244 11.927 1.188 1.00 1.97 C ATOM 257 CD2 LEU A 17 13.287 13.014 3.184 1.00 2.23 C ATOM 0 H LEU A 17 12.360 9.811 5.004 1.00 0.07 H new ATOM 0 HA LEU A 17 12.190 12.478 5.167 1.00 0.05 H new ATOM 0 HB2 LEU A 17 11.008 10.459 3.295 1.00 0.07 H new ATOM 0 HB3 LEU A 17 10.515 12.130 3.106 1.00 0.07 H new ATOM 0 HG LEU A 17 13.256 10.922 2.774 1.00 1.23 H new ATOM 0 HD11 LEU A 17 13.156 12.127 0.626 1.00 1.97 H new ATOM 0 HD12 LEU A 17 11.785 11.009 0.821 1.00 1.97 H new ATOM 0 HD13 LEU A 17 11.549 12.757 1.059 1.00 1.97 H new ATOM 0 HD21 LEU A 17 14.184 13.197 2.593 1.00 2.23 H new ATOM 0 HD22 LEU A 17 12.619 13.872 3.105 1.00 2.23 H new ATOM 0 HD23 LEU A 17 13.564 12.865 4.228 1.00 2.23 H new ATOM 269 N SER A 18 9.123 11.265 5.509 1.00 0.06 N ATOM 270 CA SER A 18 7.803 11.570 6.044 1.00 0.07 C ATOM 271 C SER A 18 7.915 12.071 7.478 1.00 0.08 C ATOM 272 O SER A 18 7.305 13.074 7.848 1.00 0.14 O ATOM 273 CB SER A 18 6.906 10.332 5.990 1.00 0.10 C ATOM 274 OG SER A 18 7.303 9.458 4.949 0.50 1.32 O ATOM 0 H SER A 18 9.208 10.337 5.093 1.00 0.06 H new ATOM 0 HA SER A 18 7.356 12.353 5.432 1.00 0.07 H new ATOM 0 HB2 SER A 18 6.947 9.808 6.945 1.00 0.10 H new ATOM 0 HB3 SER A 18 5.870 10.636 5.838 1.00 0.10 H new ATOM 0 HG SER A 18 8.139 9.012 5.198 0.50 1.32 H new ATOM 280 N TYR A 19 8.709 11.368 8.280 1.00 0.06 N ATOM 281 CA TYR A 19 8.912 11.742 9.673 1.00 0.07 C ATOM 282 C TYR A 19 9.441 13.169 9.772 1.00 0.08 C ATOM 283 O TYR A 19 8.890 13.997 10.498 1.00 0.19 O ATOM 284 CB TYR A 19 9.889 10.775 10.346 1.00 0.11 C ATOM 285 CG TYR A 19 10.254 11.167 11.759 1.00 0.82 C ATOM 286 CD1 TYR A 19 9.442 10.815 12.829 1.00 1.72 C ATOM 287 CD2 TYR A 19 11.411 11.890 12.023 1.00 1.63 C ATOM 288 CE1 TYR A 19 9.772 11.171 14.122 1.00 2.35 C ATOM 289 CE2 TYR A 19 11.748 12.250 13.314 1.00 2.22 C ATOM 290 CZ TYR A 19 10.925 11.888 14.359 1.00 2.35 C ATOM 291 OH TYR A 19 11.256 12.244 15.646 1.00 3.10 O ATOM 0 H TYR A 19 9.222 10.536 7.988 1.00 0.06 H new ATOM 0 HA TYR A 19 7.952 11.689 10.186 1.00 0.07 H new ATOM 0 HB2 TYR A 19 9.450 9.777 10.357 1.00 0.11 H new ATOM 0 HB3 TYR A 19 10.798 10.716 9.748 1.00 0.11 H new ATOM 0 HD1 TYR A 19 8.537 10.254 12.647 1.00 1.72 H new ATOM 0 HD2 TYR A 19 12.057 12.175 11.206 1.00 1.63 H new ATOM 0 HE1 TYR A 19 9.130 10.889 14.943 1.00 2.35 H new ATOM 0 HE2 TYR A 19 12.651 12.812 13.503 1.00 2.22 H new ATOM 0 HH TYR A 19 12.169 11.948 15.842 1.00 3.10 H new ATOM 301 N LYS A 20 10.509 13.450 9.032 1.00 0.10 N ATOM 302 CA LYS A 20 11.108 14.778 9.029 1.00 0.10 C ATOM 303 C LYS A 20 10.095 15.820 8.568 1.00 0.07 C ATOM 304 O LYS A 20 10.124 16.968 9.011 1.00 0.08 O ATOM 305 CB LYS A 20 12.338 14.804 8.119 1.00 0.13 C ATOM 306 CG LYS A 20 13.181 16.060 8.270 1.00 1.09 C ATOM 307 CD LYS A 20 14.316 15.854 9.260 1.00 1.84 C ATOM 308 CE LYS A 20 15.205 17.084 9.351 1.00 2.47 C ATOM 309 NZ LYS A 20 15.429 17.505 10.762 1.00 2.84 N ATOM 0 H LYS A 20 10.977 12.775 8.427 1.00 0.10 H new ATOM 0 HA LYS A 20 11.417 15.018 10.046 1.00 0.10 H new ATOM 0 HB2 LYS A 20 12.957 13.933 8.334 1.00 0.13 H new ATOM 0 HB3 LYS A 20 12.014 14.717 7.082 1.00 0.13 H new ATOM 0 HG2 LYS A 20 13.590 16.344 7.300 1.00 1.09 H new ATOM 0 HG3 LYS A 20 12.551 16.884 8.604 1.00 1.09 H new ATOM 0 HD2 LYS A 20 13.905 15.627 10.244 1.00 1.84 H new ATOM 0 HD3 LYS A 20 14.913 14.994 8.957 1.00 1.84 H new ATOM 0 HE2 LYS A 20 16.164 16.874 8.878 1.00 2.47 H new ATOM 0 HE3 LYS A 20 14.749 17.904 8.796 1.00 2.47 H new ATOM 0 HZ1 LYS A 20 16.040 18.347 10.780 1.00 2.84 H new ATOM 0 HZ2 LYS A 20 14.516 17.730 11.206 1.00 2.84 H new ATOM 0 HZ3 LYS A 20 15.888 16.733 11.286 1.00 2.84 H new ATOM 323 N LEU A 21 9.197 15.407 7.680 1.00 0.06 N ATOM 324 CA LEU A 21 8.167 16.299 7.161 1.00 0.05 C ATOM 325 C LEU A 21 7.094 16.551 8.215 1.00 0.06 C ATOM 326 O LEU A 21 6.798 17.698 8.551 1.00 0.13 O ATOM 327 CB LEU A 21 7.533 15.704 5.902 1.00 0.09 C ATOM 328 CG LEU A 21 7.543 16.619 4.677 0.50 1.15 C ATOM 329 CD1 LEU A 21 8.950 16.739 4.113 0.50 1.91 C ATOM 330 CD2 LEU A 21 6.583 16.101 3.617 0.50 2.11 C ATOM 0 H LEU A 21 9.162 14.459 7.304 1.00 0.06 H new ATOM 0 HA LEU A 21 8.635 17.250 6.906 1.00 0.05 H new ATOM 0 HB2 LEU A 21 8.057 14.781 5.651 1.00 0.09 H new ATOM 0 HB3 LEU A 21 6.501 15.434 6.126 1.00 0.09 H new ATOM 0 HG LEU A 21 7.211 17.611 4.984 0.50 1.15 H new ATOM 0 HD11 LEU A 21 8.938 17.394 3.242 0.50 1.91 H new ATOM 0 HD12 LEU A 21 9.612 17.157 4.872 0.50 1.91 H new ATOM 0 HD13 LEU A 21 9.310 15.753 3.821 0.50 1.91 H new ATOM 0 HD21 LEU A 21 6.603 16.764 2.752 0.50 2.11 H new ATOM 0 HD22 LEU A 21 6.884 15.099 3.312 0.50 2.11 H new ATOM 0 HD23 LEU A 21 5.573 16.068 4.026 0.50 2.11 H new ATOM 342 N SER A 22 6.519 15.472 8.736 1.00 0.06 N ATOM 343 CA SER A 22 5.482 15.577 9.757 1.00 0.06 C ATOM 344 C SER A 22 5.972 16.415 10.932 1.00 0.05 C ATOM 345 O SER A 22 5.244 17.261 11.452 1.00 0.08 O ATOM 346 CB SER A 22 5.070 14.186 10.243 1.00 0.08 C ATOM 347 OG SER A 22 5.525 13.178 9.356 1.00 1.27 O ATOM 0 H SER A 22 6.753 14.516 8.469 1.00 0.06 H new ATOM 0 HA SER A 22 4.615 16.067 9.315 1.00 0.06 H new ATOM 0 HB2 SER A 22 5.478 14.010 11.238 1.00 0.08 H new ATOM 0 HB3 SER A 22 3.985 14.135 10.330 1.00 0.08 H new ATOM 0 HG SER A 22 6.505 13.163 9.353 1.00 1.27 H new ATOM 353 N GLN A 23 7.214 16.177 11.341 1.00 0.04 N ATOM 354 CA GLN A 23 7.808 16.912 12.450 1.00 0.04 C ATOM 355 C GLN A 23 7.760 18.412 12.181 1.00 0.03 C ATOM 356 O GLN A 23 7.799 19.222 13.106 1.00 0.04 O ATOM 357 CB GLN A 23 9.253 16.454 12.671 1.00 0.05 C ATOM 358 CG GLN A 23 10.274 17.583 12.668 1.00 1.12 C ATOM 359 CD GLN A 23 10.286 18.364 13.967 1.00 1.87 C ATOM 360 OE1 GLN A 23 9.927 19.541 14.002 1.00 2.55 O ATOM 361 NE2 GLN A 23 10.704 17.711 15.045 1.00 2.57 N ATOM 0 H GLN A 23 7.828 15.480 10.920 1.00 0.04 H new ATOM 0 HA GLN A 23 7.234 16.707 13.353 1.00 0.04 H new ATOM 0 HB2 GLN A 23 9.313 15.927 13.623 1.00 0.05 H new ATOM 0 HB3 GLN A 23 9.518 15.738 11.893 1.00 0.05 H new ATOM 0 HG2 GLN A 23 11.266 17.169 12.488 1.00 1.12 H new ATOM 0 HG3 GLN A 23 10.057 18.261 11.843 1.00 1.12 H new ATOM 0 HE21 GLN A 23 10.992 16.735 14.970 1.00 2.57 H new ATOM 0 HE22 GLN A 23 10.737 18.185 15.948 1.00 2.57 H new ATOM 370 N LYS A 24 7.672 18.771 10.904 1.00 0.04 N ATOM 371 CA LYS A 24 7.615 20.172 10.504 1.00 0.05 C ATOM 372 C LYS A 24 6.170 20.630 10.327 1.00 0.05 C ATOM 373 O LYS A 24 5.902 21.821 10.166 1.00 0.08 O ATOM 374 CB LYS A 24 8.392 20.382 9.204 1.00 0.05 C ATOM 375 CG LYS A 24 8.547 21.843 8.817 1.00 1.20 C ATOM 376 CD LYS A 24 9.026 22.681 9.990 1.00 1.78 C ATOM 377 CE LYS A 24 9.588 24.016 9.529 1.00 2.80 C ATOM 378 NZ LYS A 24 10.476 24.629 10.556 1.00 3.37 N ATOM 0 H LYS A 24 7.639 18.110 10.128 1.00 0.04 H new ATOM 0 HA LYS A 24 8.071 20.769 11.294 1.00 0.05 H new ATOM 0 HB2 LYS A 24 9.381 19.935 9.305 1.00 0.05 H new ATOM 0 HB3 LYS A 24 7.884 19.853 8.398 1.00 0.05 H new ATOM 0 HG2 LYS A 24 9.256 21.929 7.993 1.00 1.20 H new ATOM 0 HG3 LYS A 24 7.593 22.229 8.458 1.00 1.20 H new ATOM 0 HD2 LYS A 24 8.198 22.852 10.678 1.00 1.78 H new ATOM 0 HD3 LYS A 24 9.791 22.134 10.541 1.00 1.78 H new ATOM 0 HE2 LYS A 24 10.147 23.875 8.604 1.00 2.80 H new ATOM 0 HE3 LYS A 24 8.767 24.698 9.305 1.00 2.80 H new ATOM 0 HZ1 LYS A 24 10.839 25.538 10.203 1.00 3.37 H new ATOM 0 HZ2 LYS A 24 9.937 24.788 11.431 1.00 3.37 H new ATOM 0 HZ3 LYS A 24 11.273 23.990 10.751 1.00 3.37 H new ATOM 392 N GLY A 25 5.242 19.678 10.358 1.00 0.06 N ATOM 393 CA GLY A 25 3.837 20.006 10.201 1.00 0.06 C ATOM 394 C GLY A 25 3.255 19.479 8.904 1.00 0.05 C ATOM 395 O GLY A 25 2.058 19.205 8.820 1.00 0.07 O ATOM 0 H GLY A 25 5.438 18.686 10.489 1.00 0.06 H new ATOM 0 HA2 GLY A 25 3.276 19.594 11.040 1.00 0.06 H new ATOM 0 HA3 GLY A 25 3.715 21.089 10.236 1.00 0.06 H new ATOM 399 N TYR A 26 4.100 19.338 7.888 1.00 0.04 N ATOM 400 CA TYR A 26 3.658 18.843 6.588 1.00 0.04 C ATOM 401 C TYR A 26 3.249 17.375 6.670 1.00 0.05 C ATOM 402 O TYR A 26 3.188 16.795 7.754 1.00 0.07 O ATOM 403 CB TYR A 26 4.767 19.015 5.549 1.00 0.04 C ATOM 404 CG TYR A 26 5.173 20.454 5.331 1.00 0.63 C ATOM 405 CD1 TYR A 26 4.484 21.262 4.436 1.00 1.71 C ATOM 406 CD2 TYR A 26 6.247 21.005 6.019 1.00 1.25 C ATOM 407 CE1 TYR A 26 4.852 22.578 4.233 1.00 2.17 C ATOM 408 CE2 TYR A 26 6.622 22.320 5.823 1.00 1.60 C ATOM 409 CZ TYR A 26 5.922 23.102 4.928 1.00 1.79 C ATOM 410 OH TYR A 26 6.292 24.413 4.729 1.00 2.36 O ATOM 0 H TYR A 26 5.094 19.559 7.939 1.00 0.04 H new ATOM 0 HA TYR A 26 2.789 19.427 6.285 1.00 0.04 H new ATOM 0 HB2 TYR A 26 5.640 18.443 5.864 1.00 0.04 H new ATOM 0 HB3 TYR A 26 4.434 18.592 4.601 1.00 0.04 H new ATOM 0 HD1 TYR A 26 3.646 20.855 3.889 1.00 1.71 H new ATOM 0 HD2 TYR A 26 6.798 20.395 6.719 1.00 1.25 H new ATOM 0 HE1 TYR A 26 4.305 23.193 3.534 1.00 2.17 H new ATOM 0 HE2 TYR A 26 7.458 22.733 6.367 1.00 1.60 H new ATOM 0 HH TYR A 26 7.063 24.625 5.296 1.00 2.36 H new ATOM 420 N SER A 27 2.967 16.781 5.514 1.00 0.05 N ATOM 421 CA SER A 27 2.562 15.381 5.450 1.00 0.06 C ATOM 422 C SER A 27 2.207 14.984 4.021 1.00 0.05 C ATOM 423 O SER A 27 3.063 14.531 3.261 1.00 0.06 O ATOM 424 CB SER A 27 1.367 15.132 6.372 1.00 0.09 C ATOM 425 OG SER A 27 1.791 14.834 7.690 0.50 1.25 O ATOM 0 H SER A 27 3.012 17.248 4.608 1.00 0.05 H new ATOM 0 HA SER A 27 3.401 14.769 5.781 1.00 0.06 H new ATOM 0 HB2 SER A 27 0.724 16.012 6.384 1.00 0.09 H new ATOM 0 HB3 SER A 27 0.770 14.307 5.984 1.00 0.09 H new ATOM 0 HG SER A 27 2.443 15.504 7.983 0.50 1.25 H new ATOM 431 N TRP A 28 0.939 15.158 3.662 1.00 0.04 N ATOM 432 CA TRP A 28 0.469 14.821 2.323 1.00 0.04 C ATOM 433 C TRP A 28 0.624 13.328 2.048 1.00 0.03 C ATOM 434 O TRP A 28 1.623 12.717 2.426 1.00 0.05 O ATOM 435 CB TRP A 28 1.235 15.626 1.273 1.00 0.04 C ATOM 436 CG TRP A 28 0.568 16.918 0.910 1.00 0.94 C ATOM 437 CD1 TRP A 28 -0.415 17.559 1.610 1.00 2.00 C ATOM 438 CD2 TRP A 28 0.834 17.727 -0.241 1.00 1.61 C ATOM 439 NE1 TRP A 28 -0.776 18.716 0.963 1.00 2.55 N ATOM 440 CE2 TRP A 28 -0.024 18.841 -0.176 1.00 2.26 C ATOM 441 CE3 TRP A 28 1.714 17.616 -1.321 1.00 2.46 C ATOM 442 CZ2 TRP A 28 -0.026 19.838 -1.149 1.00 3.02 C ATOM 443 CZ3 TRP A 28 1.711 18.606 -2.286 1.00 3.37 C ATOM 444 CH2 TRP A 28 0.846 19.704 -2.194 1.00 3.45 C ATOM 0 H TRP A 28 0.218 15.531 4.280 1.00 0.04 H new ATOM 0 HA TRP A 28 -0.590 15.074 2.265 1.00 0.04 H new ATOM 0 HB2 TRP A 28 2.237 15.836 1.647 1.00 0.04 H new ATOM 0 HB3 TRP A 28 1.350 15.020 0.374 1.00 0.04 H new ATOM 0 HD1 TRP A 28 -0.845 17.208 2.536 1.00 2.00 H new ATOM 0 HE1 TRP A 28 -1.488 19.375 1.279 1.00 2.55 H new ATOM 0 HE3 TRP A 28 2.384 16.773 -1.400 1.00 2.46 H new ATOM 0 HZ2 TRP A 28 -0.692 20.686 -1.081 1.00 3.02 H new ATOM 0 HZ3 TRP A 28 2.387 18.532 -3.125 1.00 3.37 H new ATOM 0 HH2 TRP A 28 0.868 20.461 -2.964 1.00 3.45 H new ATOM 455 N SER A 29 -0.372 12.748 1.384 1.00 0.03 N ATOM 456 CA SER A 29 -0.347 11.327 1.056 1.00 0.04 C ATOM 457 C SER A 29 -1.605 10.923 0.294 1.00 0.04 C ATOM 458 O SER A 29 -2.278 11.763 -0.303 1.00 0.09 O ATOM 459 CB SER A 29 -0.216 10.490 2.329 1.00 0.05 C ATOM 460 OG SER A 29 0.430 9.257 2.065 1.00 1.24 O ATOM 0 H SER A 29 -1.206 13.240 1.063 1.00 0.03 H new ATOM 0 HA SER A 29 0.517 11.142 0.418 1.00 0.04 H new ATOM 0 HB2 SER A 29 0.348 11.047 3.077 1.00 0.05 H new ATOM 0 HB3 SER A 29 -1.205 10.304 2.749 1.00 0.05 H new ATOM 0 HG SER A 29 0.503 8.742 2.895 1.00 1.24 H new ATOM 466 N GLN A 30 -1.917 9.631 0.318 1.00 0.04 N ATOM 467 CA GLN A 30 -3.095 9.115 -0.370 1.00 0.04 C ATOM 468 C GLN A 30 -3.524 7.774 0.216 1.00 0.04 C ATOM 469 O GLN A 30 -2.857 7.227 1.095 1.00 0.08 O ATOM 470 CB GLN A 30 -2.812 8.964 -1.866 1.00 0.06 C ATOM 471 CG GLN A 30 -3.423 10.067 -2.714 1.00 1.24 C ATOM 472 CD GLN A 30 -2.585 10.394 -3.935 1.00 1.98 C ATOM 473 OE1 GLN A 30 -2.155 11.533 -4.120 1.00 2.55 O ATOM 474 NE2 GLN A 30 -2.349 9.394 -4.776 1.00 2.77 N ATOM 0 H GLN A 30 -1.370 8.922 0.807 1.00 0.04 H new ATOM 0 HA GLN A 30 -3.908 9.828 -0.231 1.00 0.04 H new ATOM 0 HB2 GLN A 30 -1.734 8.951 -2.024 1.00 0.06 H new ATOM 0 HB3 GLN A 30 -3.196 8.002 -2.205 1.00 0.06 H new ATOM 0 HG2 GLN A 30 -4.421 9.765 -3.033 1.00 1.24 H new ATOM 0 HG3 GLN A 30 -3.540 10.965 -2.107 1.00 1.24 H new ATOM 0 HE21 GLN A 30 -2.725 8.466 -4.583 1.00 2.77 H new ATOM 0 HE22 GLN A 30 -1.791 9.554 -5.615 1.00 2.77 H new ATOM 483 N PHE A 31 -4.642 7.248 -0.275 1.00 0.05 N ATOM 484 CA PHE A 31 -5.160 5.970 0.201 1.00 0.06 C ATOM 485 C PHE A 31 -5.395 5.009 -0.960 1.00 0.05 C ATOM 486 O PHE A 31 -5.228 5.374 -2.124 1.00 0.07 O ATOM 487 CB PHE A 31 -6.464 6.180 0.972 1.00 0.09 C ATOM 488 CG PHE A 31 -6.259 6.660 2.380 1.00 1.37 C ATOM 489 CD1 PHE A 31 -5.804 7.945 2.628 1.00 2.28 C ATOM 490 CD2 PHE A 31 -6.520 5.826 3.456 1.00 2.35 C ATOM 491 CE1 PHE A 31 -5.614 8.390 3.923 1.00 3.41 C ATOM 492 CE2 PHE A 31 -6.331 6.265 4.752 1.00 3.48 C ATOM 493 CZ PHE A 31 -5.877 7.548 4.986 1.00 3.86 C ATOM 0 H PHE A 31 -5.207 7.687 -1.002 1.00 0.05 H new ATOM 0 HA PHE A 31 -4.416 5.532 0.867 1.00 0.06 H new ATOM 0 HB2 PHE A 31 -7.080 6.902 0.437 1.00 0.09 H new ATOM 0 HB3 PHE A 31 -7.019 5.242 0.994 1.00 0.09 H new ATOM 0 HD1 PHE A 31 -5.595 8.607 1.800 1.00 2.28 H new ATOM 0 HD2 PHE A 31 -6.875 4.822 3.279 1.00 2.35 H new ATOM 0 HE1 PHE A 31 -5.260 9.394 4.103 1.00 3.41 H new ATOM 0 HE2 PHE A 31 -6.538 5.605 5.582 1.00 3.48 H new ATOM 0 HZ PHE A 31 -5.728 7.893 5.999 1.00 3.86 H new ATOM 503 N SER A 32 -5.783 3.779 -0.637 1.00 0.05 N ATOM 504 CA SER A 32 -6.042 2.767 -1.655 1.00 0.05 C ATOM 505 C SER A 32 -6.680 1.523 -1.042 1.00 0.05 C ATOM 506 O SER A 32 -6.985 1.492 0.150 1.00 0.09 O ATOM 507 CB SER A 32 -4.743 2.388 -2.370 1.00 0.07 C ATOM 508 OG SER A 32 -3.663 2.307 -1.456 1.00 1.24 O ATOM 0 H SER A 32 -5.925 3.459 0.321 1.00 0.05 H new ATOM 0 HA SER A 32 -6.739 3.189 -2.379 1.00 0.05 H new ATOM 0 HB2 SER A 32 -4.868 1.430 -2.875 1.00 0.07 H new ATOM 0 HB3 SER A 32 -4.518 3.127 -3.139 1.00 0.07 H new ATOM 0 HG SER A 32 -2.845 2.062 -1.937 1.00 1.24 H new ATOM 514 N ASP A 33 -6.879 0.500 -1.868 1.00 0.05 N ATOM 515 CA ASP A 33 -7.481 -0.748 -1.412 1.00 0.05 C ATOM 516 C ASP A 33 -6.623 -1.944 -1.813 1.00 0.05 C ATOM 517 O ASP A 33 -5.940 -1.912 -2.837 1.00 0.12 O ATOM 518 CB ASP A 33 -8.890 -0.899 -1.991 1.00 0.09 C ATOM 519 CG ASP A 33 -9.930 -0.149 -1.183 1.00 1.40 C ATOM 520 OD1 ASP A 33 -9.662 1.009 -0.798 1.00 2.32 O ATOM 521 OD2 ASP A 33 -11.013 -0.720 -0.933 1.00 2.11 O ATOM 0 H ASP A 33 -6.632 0.511 -2.858 1.00 0.05 H new ATOM 0 HA ASP A 33 -7.543 -0.717 -0.324 1.00 0.05 H new ATOM 0 HB2 ASP A 33 -8.899 -0.534 -3.018 1.00 0.09 H new ATOM 0 HB3 ASP A 33 -9.154 -1.956 -2.026 1.00 0.09 H new ATOM 526 N VAL A 34 -6.662 -2.998 -1.003 1.00 0.05 N ATOM 527 CA VAL A 34 -5.886 -4.201 -1.280 1.00 0.06 C ATOM 528 C VAL A 34 -6.650 -5.462 -0.875 1.00 0.05 C ATOM 529 O VAL A 34 -7.487 -5.956 -1.631 1.00 0.12 O ATOM 530 CB VAL A 34 -4.526 -4.171 -0.556 1.00 0.10 C ATOM 531 CG1 VAL A 34 -3.467 -3.520 -1.432 1.00 1.20 C ATOM 532 CG2 VAL A 34 -4.648 -3.445 0.776 1.00 1.30 C ATOM 0 H VAL A 34 -7.222 -3.043 -0.151 1.00 0.05 H new ATOM 0 HA VAL A 34 -5.712 -4.224 -2.356 1.00 0.06 H new ATOM 0 HB VAL A 34 -4.217 -5.197 -0.358 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -2.514 -3.508 -0.903 1.00 1.20 H new ATOM 0 HG12 VAL A 34 -3.362 -4.087 -2.357 1.00 1.20 H new ATOM 0 HG13 VAL A 34 -3.765 -2.498 -1.665 1.00 1.20 H new ATOM 0 HG21 VAL A 34 -3.678 -3.433 1.274 1.00 1.30 H new ATOM 0 HG22 VAL A 34 -4.980 -2.421 0.603 1.00 1.30 H new ATOM 0 HG23 VAL A 34 -5.373 -3.960 1.406 1.00 1.30 H new ATOM 542 N GLU A 35 -6.361 -5.979 0.318 1.00 0.07 N ATOM 543 CA GLU A 35 -7.026 -7.181 0.812 1.00 0.08 C ATOM 544 C GLU A 35 -6.354 -7.689 2.084 1.00 0.09 C ATOM 545 O GLU A 35 -5.175 -8.042 2.076 1.00 0.18 O ATOM 546 CB GLU A 35 -7.008 -8.277 -0.256 1.00 0.10 C ATOM 547 CG GLU A 35 -8.358 -8.941 -0.470 1.00 1.36 C ATOM 548 CD GLU A 35 -8.259 -10.452 -0.536 1.00 2.08 C ATOM 549 OE1 GLU A 35 -7.212 -10.997 -0.127 1.00 2.74 O ATOM 550 OE2 GLU A 35 -9.229 -11.091 -0.996 1.00 2.65 O ATOM 0 H GLU A 35 -5.672 -5.585 0.958 1.00 0.07 H new ATOM 0 HA GLU A 35 -8.060 -6.924 1.043 1.00 0.08 H new ATOM 0 HB2 GLU A 35 -6.670 -7.848 -1.199 1.00 0.10 H new ATOM 0 HB3 GLU A 35 -6.280 -9.037 0.027 1.00 0.10 H new ATOM 0 HG2 GLU A 35 -9.030 -8.659 0.341 1.00 1.36 H new ATOM 0 HG3 GLU A 35 -8.800 -8.569 -1.394 1.00 1.36 H new ATOM 557 N GLU A 36 -7.111 -7.724 3.177 1.00 0.07 N ATOM 558 CA GLU A 36 -6.583 -8.191 4.454 1.00 0.07 C ATOM 559 C GLU A 36 -7.678 -8.244 5.514 1.00 0.09 C ATOM 560 O GLU A 36 -8.766 -7.699 5.326 1.00 0.15 O ATOM 561 CB GLU A 36 -5.447 -7.281 4.924 1.00 0.07 C ATOM 562 CG GLU A 36 -5.710 -5.804 4.681 1.00 1.36 C ATOM 563 CD GLU A 36 -5.067 -4.918 5.730 1.00 2.25 C ATOM 564 OE1 GLU A 36 -5.349 -5.120 6.930 1.00 2.90 O ATOM 565 OE2 GLU A 36 -4.282 -4.024 5.352 1.00 2.88 O ATOM 0 H GLU A 36 -8.089 -7.435 3.204 1.00 0.07 H new ATOM 0 HA GLU A 36 -6.196 -9.200 4.309 1.00 0.07 H new ATOM 0 HB2 GLU A 36 -5.281 -7.441 5.989 1.00 0.07 H new ATOM 0 HB3 GLU A 36 -4.528 -7.567 4.412 1.00 0.07 H new ATOM 0 HG2 GLU A 36 -5.332 -5.528 3.696 1.00 1.36 H new ATOM 0 HG3 GLU A 36 -6.785 -5.627 4.671 1.00 1.36 H new ATOM 572 N ASN A 37 -7.381 -8.906 6.628 1.00 0.00 N ATOM 573 CA ASN A 37 -8.338 -9.035 7.721 1.00 0.00 C ATOM 574 C ASN A 37 -7.663 -8.799 9.067 1.00 0.00 C ATOM 575 O ASN A 37 -6.535 -8.310 9.130 1.00 0.00 O ATOM 576 CB ASN A 37 -9.000 -10.443 7.676 1.00 0.00 C ATOM 577 CG ASN A 37 -8.840 -11.245 6.380 1.00 0.00 C ATOM 578 OD1 ASN A 37 -7.960 -12.079 6.235 1.00 0.00 O ATOM 579 ND2 ASN A 37 -9.659 -11.010 5.390 1.00 0.00 N ATOM 0 H ASN A 37 -6.484 -9.362 6.797 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.111 -8.276 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.591 -11.036 8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.066 -10.323 7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.558 -11.520 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.400 -10.317 5.494 1.00 0.00 H new ATOM 586 N ARG A 38 -8.361 -9.148 10.143 1.00 0.06 N ATOM 587 CA ARG A 38 -7.827 -8.972 11.489 1.00 0.06 C ATOM 588 C ARG A 38 -8.859 -9.363 12.541 1.00 0.07 C ATOM 589 O ARG A 38 -10.064 -9.310 12.294 1.00 0.16 O ATOM 590 CB ARG A 38 -7.394 -7.520 11.700 1.00 0.08 C ATOM 591 CG ARG A 38 -6.137 -7.377 12.542 1.00 0.82 C ATOM 592 CD ARG A 38 -5.528 -5.991 12.401 1.00 1.29 C ATOM 593 NE ARG A 38 -4.128 -6.046 11.992 1.00 2.32 N ATOM 594 CZ ARG A 38 -3.154 -6.523 12.761 1.00 3.17 C ATOM 595 NH1 ARG A 38 -3.427 -6.983 13.974 1.00 3.35 N ATOM 596 NH2 ARG A 38 -1.904 -6.537 12.319 1.00 4.29 N ATOM 0 H ARG A 38 -9.296 -9.554 10.109 1.00 0.06 H new ATOM 0 HA ARG A 38 -6.960 -9.624 11.597 1.00 0.06 H new ATOM 0 HB2 ARG A 38 -7.226 -7.055 10.729 1.00 0.08 H new ATOM 0 HB3 ARG A 38 -8.206 -6.973 12.179 1.00 0.08 H new ATOM 0 HG2 ARG A 38 -6.375 -7.566 13.589 1.00 0.82 H new ATOM 0 HG3 ARG A 38 -5.408 -8.129 12.240 1.00 0.82 H new ATOM 0 HD2 ARG A 38 -6.097 -5.418 11.669 1.00 1.29 H new ATOM 0 HD3 ARG A 38 -5.607 -5.462 13.351 1.00 1.29 H new ATOM 0 HE ARG A 38 -3.883 -5.699 11.065 1.00 2.32 H new ATOM 0 HH11 ARG A 38 -4.387 -6.972 14.320 1.00 3.35 H new ATOM 0 HH12 ARG A 38 -2.677 -7.348 14.562 1.00 3.35 H new ATOM 0 HH21 ARG A 38 -1.688 -6.181 11.388 1.00 4.29 H new ATOM 0 HH22 ARG A 38 -1.158 -6.903 12.910 1.00 4.29 H new ATOM 610 N THR A 39 -8.378 -9.756 13.716 1.00 0.00 N ATOM 611 CA THR A 39 -9.260 -10.155 14.807 1.00 0.00 C ATOM 612 C THR A 39 -8.459 -10.476 16.064 1.00 0.00 C ATOM 613 O THR A 39 -8.198 -11.641 16.364 1.00 0.00 O ATOM 614 CB THR A 39 -10.123 -11.387 14.371 1.00 0.00 C ATOM 615 OG1 THR A 39 -9.718 -11.851 13.090 1.00 0.00 O ATOM 616 CG2 THR A 39 -11.642 -11.144 14.232 1.00 0.00 C ATOM 0 H THR A 39 -7.384 -9.807 13.937 1.00 0.00 H new ATOM 0 HA THR A 39 -9.925 -9.323 15.039 1.00 0.00 H new ATOM 0 HB THR A 39 -9.955 -12.092 15.185 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.266 -12.622 12.833 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.132 -12.068 13.926 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.048 -10.818 15.190 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.820 -10.373 13.482 1.00 0.00 H new ATOM 624 N GLU A 40 -8.073 -9.436 16.796 1.00 0.06 N ATOM 625 CA GLU A 40 -7.302 -9.610 18.021 1.00 0.06 C ATOM 626 C GLU A 40 -7.422 -8.384 18.921 1.00 0.09 C ATOM 627 O GLU A 40 -8.106 -8.417 19.943 1.00 0.20 O ATOM 628 CB GLU A 40 -5.831 -9.873 17.692 1.00 0.07 C ATOM 629 CG GLU A 40 -5.185 -10.914 18.589 1.00 1.09 C ATOM 630 CD GLU A 40 -4.809 -10.360 19.949 1.00 1.74 C ATOM 631 OE1 GLU A 40 -5.051 -9.158 20.188 1.00 2.39 O ATOM 632 OE2 GLU A 40 -4.273 -11.128 20.776 1.00 2.40 O ATOM 0 H GLU A 40 -8.281 -8.465 16.562 1.00 0.06 H new ATOM 0 HA GLU A 40 -7.707 -10.470 18.554 1.00 0.06 H new ATOM 0 HB2 GLU A 40 -5.752 -10.199 16.655 1.00 0.07 H new ATOM 0 HB3 GLU A 40 -5.276 -8.939 17.775 1.00 0.07 H new ATOM 0 HG2 GLU A 40 -5.870 -11.752 18.719 1.00 1.09 H new ATOM 0 HG3 GLU A 40 -4.292 -11.305 18.101 1.00 1.09 H new ATOM 639 N ALA A 41 -6.751 -7.303 18.534 1.00 0.04 N ATOM 640 CA ALA A 41 -6.782 -6.068 19.307 1.00 0.04 C ATOM 641 C ALA A 41 -5.931 -4.987 18.651 1.00 0.04 C ATOM 642 O ALA A 41 -4.709 -4.964 18.803 1.00 0.05 O ATOM 643 CB ALA A 41 -6.305 -6.325 20.729 1.00 0.06 C ATOM 0 H ALA A 41 -6.180 -7.258 17.690 1.00 0.04 H new ATOM 0 HA ALA A 41 -7.812 -5.714 19.337 1.00 0.04 H new ATOM 0 HB1 ALA A 41 -6.333 -5.394 21.296 1.00 0.06 H new ATOM 0 HB2 ALA A 41 -6.956 -7.059 21.204 1.00 0.06 H new ATOM 0 HB3 ALA A 41 -5.284 -6.706 20.707 1.00 0.06 H new ATOM 649 N PRO A 42 -6.573 -4.073 17.910 1.00 0.04 N ATOM 650 CA PRO A 42 -5.881 -2.978 17.225 1.00 0.05 C ATOM 651 C PRO A 42 -5.336 -1.939 18.199 1.00 0.05 C ATOM 652 O PRO A 42 -5.941 -1.670 19.237 1.00 0.10 O ATOM 653 CB PRO A 42 -6.973 -2.364 16.345 1.00 0.06 C ATOM 654 CG PRO A 42 -8.249 -2.699 17.037 1.00 0.06 C ATOM 655 CD PRO A 42 -8.029 -4.037 17.687 1.00 0.04 C ATOM 0 HA PRO A 42 -5.013 -3.329 16.668 1.00 0.05 H new ATOM 0 HB2 PRO A 42 -6.845 -1.286 16.250 1.00 0.06 H new ATOM 0 HB3 PRO A 42 -6.949 -2.778 15.337 1.00 0.06 H new ATOM 0 HG2 PRO A 42 -8.501 -1.941 17.779 1.00 0.06 H new ATOM 0 HG3 PRO A 42 -9.077 -2.740 16.330 1.00 0.06 H new ATOM 0 HD2 PRO A 42 -8.581 -4.125 18.623 1.00 0.04 H new ATOM 0 HD3 PRO A 42 -8.358 -4.854 17.045 1.00 0.04 H new ATOM 663 N GLU A 43 -4.190 -1.359 17.859 1.00 0.05 N ATOM 664 CA GLU A 43 -3.566 -0.350 18.707 1.00 0.06 C ATOM 665 C GLU A 43 -2.295 0.192 18.063 1.00 0.07 C ATOM 666 O GLU A 43 -1.813 -0.345 17.066 1.00 0.18 O ATOM 667 CB GLU A 43 -3.244 -0.935 20.083 1.00 0.08 C ATOM 668 CG GLU A 43 -2.408 -2.203 20.024 1.00 1.27 C ATOM 669 CD GLU A 43 -1.987 -2.689 21.398 1.00 1.82 C ATOM 670 OE1 GLU A 43 -1.686 -1.839 22.262 1.00 2.52 O ATOM 671 OE2 GLU A 43 -1.957 -3.920 21.608 1.00 2.22 O ATOM 0 H GLU A 43 -3.675 -1.570 17.004 1.00 0.05 H new ATOM 0 HA GLU A 43 -4.271 0.472 18.826 1.00 0.06 H new ATOM 0 HB2 GLU A 43 -2.713 -0.187 20.672 1.00 0.08 H new ATOM 0 HB3 GLU A 43 -4.177 -1.149 20.605 1.00 0.08 H new ATOM 0 HG2 GLU A 43 -2.978 -2.986 19.524 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -1.520 -2.020 19.419 1.00 1.27 H new ATOM 678 N GLY A 44 -1.757 1.261 18.641 1.00 0.10 N ATOM 679 CA GLY A 44 -0.547 1.860 18.112 1.00 0.10 C ATOM 680 C GLY A 44 0.439 0.827 17.603 1.00 0.09 C ATOM 681 O GLY A 44 0.699 0.746 16.403 1.00 0.19 O ATOM 0 H GLY A 44 -2.138 1.723 19.467 1.00 0.10 H new ATOM 0 HA2 GLY A 44 -0.807 2.540 17.301 1.00 0.10 H new ATOM 0 HA3 GLY A 44 -0.072 2.458 18.889 1.00 0.10 H new ATOM 685 N THR A 45 0.992 0.038 18.519 1.00 0.10 N ATOM 686 CA THR A 45 1.958 -0.991 18.157 1.00 0.09 C ATOM 687 C THR A 45 3.160 -0.377 17.446 1.00 0.14 C ATOM 688 O THR A 45 3.005 0.403 16.506 1.00 0.31 O ATOM 689 CB THR A 45 1.305 -2.045 17.261 1.00 0.08 C ATOM 690 OG1 THR A 45 0.339 -2.787 17.982 1.00 1.33 O ATOM 691 CG2 THR A 45 2.296 -3.027 16.675 1.00 1.38 C ATOM 0 H THR A 45 0.787 0.092 19.517 1.00 0.10 H new ATOM 0 HA THR A 45 2.302 -1.470 19.074 1.00 0.09 H new ATOM 0 HB THR A 45 0.845 -1.487 16.445 1.00 0.08 H new ATOM 0 HG1 THR A 45 -0.068 -3.455 17.391 1.00 1.33 H new ATOM 0 HG21 THR A 45 1.768 -3.747 16.050 1.00 1.38 H new ATOM 0 HG22 THR A 45 3.027 -2.490 16.071 1.00 1.38 H new ATOM 0 HG23 THR A 45 2.808 -3.553 17.481 1.00 1.38 H new ATOM 699 N GLU A 46 4.357 -0.729 17.904 1.00 0.12 N ATOM 700 CA GLU A 46 5.583 -0.208 17.311 1.00 0.12 C ATOM 701 C GLU A 46 6.645 -1.297 17.199 1.00 0.13 C ATOM 702 O GLU A 46 6.597 -2.302 17.909 1.00 0.19 O ATOM 703 CB GLU A 46 6.119 0.957 18.145 1.00 0.17 C ATOM 704 CG GLU A 46 6.328 0.612 19.609 1.00 1.17 C ATOM 705 CD GLU A 46 5.143 0.994 20.474 1.00 2.01 C ATOM 706 OE1 GLU A 46 4.250 1.711 19.975 1.00 2.65 O ATOM 707 OE2 GLU A 46 5.106 0.575 21.650 1.00 2.76 O ATOM 0 H GLU A 46 4.504 -1.372 18.682 1.00 0.12 H new ATOM 0 HA GLU A 46 5.348 0.146 16.307 1.00 0.12 H new ATOM 0 HB2 GLU A 46 7.066 1.291 17.721 1.00 0.17 H new ATOM 0 HB3 GLU A 46 5.424 1.794 18.073 1.00 0.17 H new ATOM 0 HG2 GLU A 46 6.512 -0.458 19.703 1.00 1.17 H new ATOM 0 HG3 GLU A 46 7.219 1.122 19.975 1.00 1.17 H new ATOM 714 N SER A 47 7.603 -1.089 16.301 1.00 0.16 N ATOM 715 CA SER A 47 8.681 -2.049 16.091 1.00 0.18 C ATOM 716 C SER A 47 9.879 -1.720 16.977 1.00 0.24 C ATOM 717 O SER A 47 9.726 -1.142 18.052 1.00 0.53 O ATOM 718 CB SER A 47 9.103 -2.057 14.620 1.00 0.18 C ATOM 719 OG SER A 47 7.978 -1.929 13.767 1.00 1.34 O ATOM 0 H SER A 47 7.655 -0.262 15.706 1.00 0.16 H new ATOM 0 HA SER A 47 8.314 -3.039 16.361 1.00 0.18 H new ATOM 0 HB2 SER A 47 9.800 -1.240 14.434 1.00 0.18 H new ATOM 0 HB3 SER A 47 9.631 -2.984 14.395 1.00 0.18 H new ATOM 0 HG SER A 47 8.274 -1.935 12.833 1.00 1.34 H new ATOM 725 N GLU A 48 11.072 -2.091 16.520 1.00 0.19 N ATOM 726 CA GLU A 48 12.292 -1.834 17.276 1.00 0.18 C ATOM 727 C GLU A 48 13.527 -2.142 16.435 1.00 0.16 C ATOM 728 O GLU A 48 14.426 -2.860 16.875 1.00 0.21 O ATOM 729 CB GLU A 48 12.309 -2.673 18.555 1.00 0.22 C ATOM 730 CG GLU A 48 12.705 -4.122 18.326 1.00 1.33 C ATOM 731 CD GLU A 48 11.625 -5.097 18.751 1.00 2.11 C ATOM 732 OE1 GLU A 48 10.449 -4.872 18.398 1.00 3.04 O ATOM 733 OE2 GLU A 48 11.956 -6.085 19.440 1.00 2.46 O ATOM 0 H GLU A 48 11.219 -2.570 15.631 1.00 0.19 H new ATOM 0 HA GLU A 48 12.310 -0.777 17.542 1.00 0.18 H new ATOM 0 HB2 GLU A 48 13.003 -2.223 19.265 1.00 0.22 H new ATOM 0 HB3 GLU A 48 11.320 -2.643 19.012 1.00 0.22 H new ATOM 0 HG2 GLU A 48 12.928 -4.271 17.270 1.00 1.33 H new ATOM 0 HG3 GLU A 48 13.620 -4.336 18.878 1.00 1.33 H new ATOM 740 N ALA A 89 13.564 -1.600 15.222 1.00 0.13 N ATOM 741 CA ALA A 89 14.689 -1.824 14.323 1.00 0.15 C ATOM 742 C ALA A 89 15.126 -0.525 13.648 1.00 0.17 C ATOM 743 O ALA A 89 14.994 0.557 14.219 1.00 0.37 O ATOM 744 CB ALA A 89 14.323 -2.873 13.283 1.00 0.24 C ATOM 0 H ALA A 89 12.830 -1.004 14.840 1.00 0.13 H new ATOM 0 HA ALA A 89 15.531 -2.189 14.912 1.00 0.15 H new ATOM 0 HB1 ALA A 89 15.169 -3.034 12.615 1.00 0.24 H new ATOM 0 HB2 ALA A 89 14.072 -3.809 13.783 1.00 0.24 H new ATOM 0 HB3 ALA A 89 13.465 -2.529 12.705 1.00 0.24 H new ATOM 750 N VAL A 90 15.647 -0.641 12.429 1.00 0.19 N ATOM 751 CA VAL A 90 16.105 0.520 11.676 1.00 0.19 C ATOM 752 C VAL A 90 15.139 1.693 11.820 1.00 0.17 C ATOM 753 O VAL A 90 15.526 2.782 12.246 1.00 0.25 O ATOM 754 CB VAL A 90 16.267 0.179 10.181 1.00 0.27 C ATOM 755 CG1 VAL A 90 15.546 1.195 9.310 1.00 1.34 C ATOM 756 CG2 VAL A 90 17.738 0.099 9.807 1.00 1.40 C ATOM 0 H VAL A 90 15.762 -1.530 11.942 1.00 0.19 H new ATOM 0 HA VAL A 90 17.073 0.806 12.088 1.00 0.19 H new ATOM 0 HB VAL A 90 15.814 -0.797 10.006 1.00 0.27 H new ATOM 0 HG11 VAL A 90 15.676 0.932 8.260 1.00 1.34 H new ATOM 0 HG12 VAL A 90 14.484 1.196 9.555 1.00 1.34 H new ATOM 0 HG13 VAL A 90 15.961 2.187 9.489 1.00 1.34 H new ATOM 0 HG21 VAL A 90 17.832 -0.143 8.748 1.00 1.40 H new ATOM 0 HG22 VAL A 90 18.216 1.059 10.004 1.00 1.40 H new ATOM 0 HG23 VAL A 90 18.223 -0.676 10.400 1.00 1.40 H new ATOM 766 N LYS A 91 13.884 1.464 11.455 1.00 0.18 N ATOM 767 CA LYS A 91 12.860 2.498 11.532 1.00 0.24 C ATOM 768 C LYS A 91 13.033 3.362 12.779 1.00 0.26 C ATOM 769 O LYS A 91 13.437 4.521 12.691 1.00 0.54 O ATOM 770 CB LYS A 91 11.468 1.864 11.518 1.00 0.31 C ATOM 771 CG LYS A 91 11.195 1.036 10.272 1.00 1.30 C ATOM 772 CD LYS A 91 9.705 0.907 9.998 1.00 1.80 C ATOM 773 CE LYS A 91 9.426 -0.113 8.905 1.00 2.30 C ATOM 774 NZ LYS A 91 8.122 -0.803 9.107 1.00 3.09 N ATOM 0 H LYS A 91 13.550 0.568 11.101 1.00 0.18 H new ATOM 0 HA LYS A 91 12.969 3.143 10.660 1.00 0.24 H new ATOM 0 HB2 LYS A 91 11.356 1.231 12.398 1.00 0.31 H new ATOM 0 HB3 LYS A 91 10.718 2.651 11.594 1.00 0.31 H new ATOM 0 HG2 LYS A 91 11.684 1.497 9.414 1.00 1.30 H new ATOM 0 HG3 LYS A 91 11.630 0.044 10.392 1.00 1.30 H new ATOM 0 HD2 LYS A 91 9.190 0.612 10.912 1.00 1.80 H new ATOM 0 HD3 LYS A 91 9.303 1.876 9.704 1.00 1.80 H new ATOM 0 HE2 LYS A 91 9.426 0.385 7.935 1.00 2.30 H new ATOM 0 HE3 LYS A 91 10.228 -0.851 8.885 1.00 2.30 H new ATOM 0 HZ1 LYS A 91 7.970 -1.490 8.341 1.00 3.09 H new ATOM 0 HZ2 LYS A 91 8.130 -1.300 10.021 1.00 3.09 H new ATOM 0 HZ3 LYS A 91 7.354 -0.102 9.101 1.00 3.09 H new ATOM 788 N GLN A 92 12.721 2.793 13.938 1.00 0.18 N ATOM 789 CA GLN A 92 12.836 3.514 15.201 1.00 0.21 C ATOM 790 C GLN A 92 14.243 4.073 15.396 1.00 0.19 C ATOM 791 O GLN A 92 14.415 5.255 15.695 1.00 0.32 O ATOM 792 CB GLN A 92 12.477 2.594 16.368 1.00 0.28 C ATOM 793 CG GLN A 92 11.084 2.835 16.926 1.00 0.97 C ATOM 794 CD GLN A 92 10.406 1.556 17.379 1.00 1.81 C ATOM 795 OE1 GLN A 92 9.581 0.989 16.663 1.00 2.47 O ATOM 796 NE2 GLN A 92 10.752 1.094 18.576 1.00 2.56 N ATOM 0 H GLN A 92 12.386 1.834 14.029 1.00 0.18 H new ATOM 0 HA GLN A 92 12.139 4.351 15.172 1.00 0.21 H new ATOM 0 HB2 GLN A 92 12.554 1.557 16.040 1.00 0.28 H new ATOM 0 HB3 GLN A 92 13.207 2.730 17.165 1.00 0.28 H new ATOM 0 HG2 GLN A 92 11.148 3.525 17.767 1.00 0.97 H new ATOM 0 HG3 GLN A 92 10.470 3.317 16.165 1.00 0.97 H new ATOM 0 HE21 GLN A 92 11.441 1.596 19.137 1.00 2.56 H new ATOM 0 HE22 GLN A 92 10.329 0.238 18.934 1.00 2.56 H new ATOM 805 N ALA A 93 15.245 3.217 15.232 1.00 0.15 N ATOM 806 CA ALA A 93 16.635 3.627 15.398 1.00 0.16 C ATOM 807 C ALA A 93 16.964 4.845 14.540 1.00 0.17 C ATOM 808 O ALA A 93 17.293 5.911 15.058 1.00 0.33 O ATOM 809 CB ALA A 93 17.570 2.476 15.060 1.00 0.19 C ATOM 0 H ALA A 93 15.121 2.235 14.984 1.00 0.15 H new ATOM 0 HA ALA A 93 16.777 3.905 16.442 1.00 0.16 H new ATOM 0 HB1 ALA A 93 18.604 2.797 15.189 1.00 0.19 H new ATOM 0 HB2 ALA A 93 17.366 1.635 15.723 1.00 0.19 H new ATOM 0 HB3 ALA A 93 17.411 2.170 14.026 1.00 0.19 H new ATOM 815 N LEU A 94 16.877 4.676 13.225 1.00 0.14 N ATOM 816 CA LEU A 94 17.170 5.758 12.292 1.00 0.15 C ATOM 817 C LEU A 94 16.618 7.090 12.796 1.00 0.12 C ATOM 818 O LEU A 94 17.368 8.044 13.004 1.00 0.16 O ATOM 819 CB LEU A 94 16.587 5.440 10.914 1.00 0.19 C ATOM 820 CG LEU A 94 17.611 5.334 9.782 1.00 1.13 C ATOM 821 CD1 LEU A 94 18.038 6.717 9.313 1.00 1.62 C ATOM 822 CD2 LEU A 94 18.820 4.526 10.231 1.00 1.99 C ATOM 0 H LEU A 94 16.606 3.799 12.781 1.00 0.14 H new ATOM 0 HA LEU A 94 18.253 5.847 12.213 1.00 0.15 H new ATOM 0 HB2 LEU A 94 16.040 4.499 10.977 1.00 0.19 H new ATOM 0 HB3 LEU A 94 15.863 6.213 10.656 1.00 0.19 H new ATOM 0 HG LEU A 94 17.143 4.818 8.944 1.00 1.13 H new ATOM 0 HD11 LEU A 94 18.766 6.619 8.508 1.00 1.62 H new ATOM 0 HD12 LEU A 94 17.167 7.263 8.950 1.00 1.62 H new ATOM 0 HD13 LEU A 94 18.487 7.261 10.144 1.00 1.62 H new ATOM 0 HD21 LEU A 94 19.538 4.461 9.413 1.00 1.99 H new ATOM 0 HD22 LEU A 94 19.287 5.015 11.086 1.00 1.99 H new ATOM 0 HD23 LEU A 94 18.502 3.523 10.516 1.00 1.99 H new ATOM 834 N ARG A 95 15.304 7.150 12.986 1.00 0.09 N ATOM 835 CA ARG A 95 14.655 8.367 13.460 1.00 0.09 C ATOM 836 C ARG A 95 15.412 8.970 14.642 1.00 0.12 C ATOM 837 O ARG A 95 16.028 10.029 14.522 1.00 0.30 O ATOM 838 CB ARG A 95 13.206 8.076 13.858 1.00 0.12 C ATOM 839 CG ARG A 95 12.190 8.960 13.151 1.00 1.12 C ATOM 840 CD ARG A 95 11.453 8.201 12.060 1.00 1.89 C ATOM 841 NE ARG A 95 10.235 7.565 12.557 1.00 2.12 N ATOM 842 CZ ARG A 95 9.503 6.717 11.841 1.00 2.68 C ATOM 843 NH1 ARG A 95 9.877 6.390 10.612 1.00 3.24 N ATOM 844 NH2 ARG A 95 8.399 6.191 12.355 1.00 3.16 N ATOM 0 H ARG A 95 14.668 6.370 12.819 1.00 0.09 H new ATOM 0 HA ARG A 95 14.662 9.091 12.645 1.00 0.09 H new ATOM 0 HB2 ARG A 95 12.981 7.032 13.640 1.00 0.12 H new ATOM 0 HB3 ARG A 95 13.101 8.206 14.935 1.00 0.12 H new ATOM 0 HG2 ARG A 95 11.473 9.343 13.877 1.00 1.12 H new ATOM 0 HG3 ARG A 95 12.696 9.822 12.717 1.00 1.12 H new ATOM 0 HD2 ARG A 95 11.199 8.886 11.251 1.00 1.89 H new ATOM 0 HD3 ARG A 95 12.112 7.441 11.639 1.00 1.89 H new ATOM 0 HE ARG A 95 9.930 7.784 13.505 1.00 2.12 H new ATOM 0 HH11 ARG A 95 10.727 6.789 10.215 1.00 3.24 H new ATOM 0 HH12 ARG A 95 9.314 5.739 10.064 1.00 3.24 H new ATOM 0 HH21 ARG A 95 8.110 6.437 13.302 1.00 3.16 H new ATOM 0 HH22 ARG A 95 7.839 5.541 11.803 1.00 3.16 H new ATOM 858 N GLU A 96 15.360 8.290 15.783 1.00 0.12 N ATOM 859 CA GLU A 96 16.038 8.760 16.988 1.00 0.12 C ATOM 860 C GLU A 96 17.359 9.446 16.648 1.00 0.13 C ATOM 861 O GLU A 96 17.514 10.650 16.851 1.00 0.27 O ATOM 862 CB GLU A 96 16.287 7.593 17.945 1.00 0.15 C ATOM 863 CG GLU A 96 15.293 7.525 19.093 1.00 1.22 C ATOM 864 CD GLU A 96 15.948 7.168 20.413 1.00 1.63 C ATOM 865 OE1 GLU A 96 16.788 6.243 20.428 1.00 2.28 O ATOM 866 OE2 GLU A 96 15.622 7.813 21.431 1.00 2.12 O ATOM 0 H GLU A 96 14.855 7.411 15.899 1.00 0.12 H new ATOM 0 HA GLU A 96 15.390 9.490 17.473 1.00 0.12 H new ATOM 0 HB2 GLU A 96 16.246 6.659 17.384 1.00 0.15 H new ATOM 0 HB3 GLU A 96 17.295 7.677 18.352 1.00 0.15 H new ATOM 0 HG2 GLU A 96 14.790 8.487 19.190 1.00 1.22 H new ATOM 0 HG3 GLU A 96 14.526 6.786 18.861 1.00 1.22 H new ATOM 873 N ALA A 97 18.309 8.672 16.134 1.00 0.10 N ATOM 874 CA ALA A 97 19.617 9.206 15.771 1.00 0.12 C ATOM 875 C ALA A 97 19.488 10.528 15.020 1.00 0.10 C ATOM 876 O ALA A 97 20.273 11.452 15.231 1.00 0.15 O ATOM 877 CB ALA A 97 20.385 8.195 14.934 1.00 0.16 C ATOM 0 H ALA A 97 18.198 7.673 15.959 1.00 0.10 H new ATOM 0 HA ALA A 97 20.169 9.397 16.691 1.00 0.12 H new ATOM 0 HB1 ALA A 97 21.359 8.606 14.670 1.00 0.16 H new ATOM 0 HB2 ALA A 97 20.522 7.278 15.506 1.00 0.16 H new ATOM 0 HB3 ALA A 97 19.825 7.975 14.025 1.00 0.16 H new ATOM 883 N GLY A 98 18.495 10.609 14.140 1.00 0.08 N ATOM 884 CA GLY A 98 18.286 11.821 13.369 1.00 0.10 C ATOM 885 C GLY A 98 17.970 13.022 14.240 1.00 0.08 C ATOM 886 O GLY A 98 18.531 14.100 14.047 1.00 0.14 O ATOM 0 H GLY A 98 17.832 9.858 13.947 1.00 0.08 H new ATOM 0 HA2 GLY A 98 19.179 12.030 12.779 1.00 0.10 H new ATOM 0 HA3 GLY A 98 17.469 11.663 12.665 1.00 0.10 H new ATOM 890 N ASP A 99 17.070 12.836 15.200 1.00 0.12 N ATOM 891 CA ASP A 99 16.681 13.915 16.102 1.00 0.13 C ATOM 892 C ASP A 99 17.851 14.332 16.986 1.00 0.14 C ATOM 893 O ASP A 99 18.072 15.519 17.224 1.00 0.26 O ATOM 894 CB ASP A 99 15.505 13.478 16.978 1.00 0.19 C ATOM 895 CG ASP A 99 14.199 13.422 16.212 1.00 1.24 C ATOM 896 OD1 ASP A 99 13.797 14.460 15.646 1.00 2.10 O ATOM 897 OD2 ASP A 99 13.576 12.340 16.179 1.00 1.78 O ATOM 0 H ASP A 99 16.597 11.949 15.374 1.00 0.12 H new ATOM 0 HA ASP A 99 16.379 14.769 15.495 1.00 0.13 H new ATOM 0 HB2 ASP A 99 15.717 12.496 17.401 1.00 0.19 H new ATOM 0 HB3 ASP A 99 15.402 14.170 17.814 1.00 0.19 H new ATOM 902 N GLU A 100 18.591 13.344 17.474 1.00 0.15 N ATOM 903 CA GLU A 100 19.737 13.595 18.340 1.00 0.18 C ATOM 904 C GLU A 100 20.888 14.236 17.570 1.00 0.17 C ATOM 905 O GLU A 100 21.703 14.958 18.145 1.00 0.28 O ATOM 906 CB GLU A 100 20.204 12.288 18.981 1.00 0.25 C ATOM 907 CG GLU A 100 20.972 12.490 20.274 1.00 0.82 C ATOM 908 CD GLU A 100 20.141 13.179 21.339 1.00 0.86 C ATOM 909 OE1 GLU A 100 18.908 13.267 21.164 1.00 1.39 O ATOM 910 OE2 GLU A 100 20.723 13.628 22.349 1.00 1.52 O ATOM 0 H GLU A 100 18.417 12.357 17.284 1.00 0.15 H new ATOM 0 HA GLU A 100 19.423 14.291 19.118 1.00 0.18 H new ATOM 0 HB2 GLU A 100 19.336 11.658 19.177 1.00 0.25 H new ATOM 0 HB3 GLU A 100 20.835 11.750 18.273 1.00 0.25 H new ATOM 0 HG2 GLU A 100 21.308 11.523 20.648 1.00 0.82 H new ATOM 0 HG3 GLU A 100 21.865 13.082 20.074 1.00 0.82 H new ATOM 917 N PHE A 101 20.955 13.964 16.271 1.00 0.14 N ATOM 918 CA PHE A 101 22.014 14.513 15.430 1.00 0.15 C ATOM 919 C PHE A 101 21.964 16.039 15.412 1.00 0.14 C ATOM 920 O PHE A 101 22.926 16.704 15.797 1.00 0.23 O ATOM 921 CB PHE A 101 21.900 13.962 14.007 1.00 0.19 C ATOM 922 CG PHE A 101 22.688 14.742 12.995 1.00 0.31 C ATOM 923 CD1 PHE A 101 23.100 15.107 13.252 1.00 0.91 C ATOM 924 CD2 PHE A 101 22.118 15.109 11.786 1.00 1.19 C ATOM 925 CE1 PHE A 101 24.729 15.824 12.323 1.00 0.97 C ATOM 926 CE2 PHE A 101 22.843 15.826 10.853 1.00 1.29 C ATOM 927 CZ PHE A 101 24.150 16.184 11.122 1.00 0.68 C ATOM 0 H PHE A 101 20.290 13.368 15.778 1.00 0.14 H new ATOM 0 HA PHE A 101 22.973 14.210 15.851 1.00 0.15 H new ATOM 0 HB2 PHE A 101 22.239 12.926 13.999 1.00 0.19 H new ATOM 0 HB3 PHE A 101 20.851 13.956 13.712 1.00 0.19 H new ATOM 0 HD1 PHE A 101 22.945 15.391 14.283 1.00 0.91 H new ATOM 0 HD2 PHE A 101 21.097 14.832 11.571 1.00 1.19 H new ATOM 0 HE1 PHE A 101 25.752 15.904 12.661 1.00 0.97 H new ATOM 0 HE2 PHE A 101 22.388 16.106 9.914 1.00 1.29 H new ATOM 0 HZ PHE A 101 24.718 16.744 10.394 1.00 0.68 H new ATOM 937 N GLU A 102 20.839 16.589 14.967 1.00 0.13 N ATOM 938 CA GLU A 102 20.671 18.037 14.906 1.00 0.13 C ATOM 939 C GLU A 102 20.763 18.653 16.298 1.00 0.15 C ATOM 940 O GLU A 102 20.897 19.868 16.443 1.00 0.29 O ATOM 941 CB GLU A 102 19.327 18.394 14.270 1.00 0.14 C ATOM 942 CG GLU A 102 18.134 18.075 15.156 1.00 1.27 C ATOM 943 CD GLU A 102 17.107 19.189 15.174 1.00 1.93 C ATOM 944 OE1 GLU A 102 17.474 20.341 14.860 1.00 2.69 O ATOM 945 OE2 GLU A 102 15.934 18.910 15.503 1.00 2.25 O ATOM 0 H GLU A 102 20.032 16.056 14.644 1.00 0.13 H new ATOM 0 HA GLU A 102 21.474 18.442 14.291 1.00 0.13 H new ATOM 0 HB2 GLU A 102 19.318 19.457 14.031 1.00 0.14 H new ATOM 0 HB3 GLU A 102 19.225 17.855 13.328 1.00 0.14 H new ATOM 0 HG2 GLU A 102 17.662 17.157 14.807 1.00 1.27 H new ATOM 0 HG3 GLU A 102 18.481 17.889 16.173 1.00 1.27 H new ATOM 952 N LEU A 103 20.692 17.806 17.319 1.00 0.13 N ATOM 953 CA LEU A 103 20.770 18.267 18.700 1.00 0.15 C ATOM 954 C LEU A 103 22.222 18.467 19.118 1.00 0.22 C ATOM 955 O LEU A 103 22.611 19.552 19.550 1.00 0.32 O ATOM 956 CB LEU A 103 20.094 17.264 19.635 1.00 0.17 C ATOM 957 CG LEU A 103 19.892 17.752 21.070 1.00 0.78 C ATOM 958 CD1 LEU A 103 18.863 18.872 21.113 1.00 1.45 C ATOM 959 CD2 LEU A 103 19.467 16.600 21.967 1.00 1.74 C ATOM 0 H LEU A 103 20.581 16.797 17.216 1.00 0.13 H new ATOM 0 HA LEU A 103 20.251 19.223 18.770 1.00 0.15 H new ATOM 0 HB2 LEU A 103 19.123 16.999 19.217 1.00 0.17 H new ATOM 0 HB3 LEU A 103 20.691 16.352 19.658 1.00 0.17 H new ATOM 0 HG LEU A 103 20.840 18.144 21.439 1.00 0.78 H new ATOM 0 HD11 LEU A 103 18.732 19.207 22.142 1.00 1.45 H new ATOM 0 HD12 LEU A 103 19.207 19.706 20.501 1.00 1.45 H new ATOM 0 HD13 LEU A 103 17.911 18.507 20.727 1.00 1.45 H new ATOM 0 HD21 LEU A 103 19.327 16.964 22.985 1.00 1.74 H new ATOM 0 HD22 LEU A 103 18.531 16.180 21.600 1.00 1.74 H new ATOM 0 HD23 LEU A 103 20.238 15.830 21.960 1.00 1.74 H new ATOM 971 N ARG A 104 23.019 17.413 18.981 1.00 0.27 N ATOM 972 CA ARG A 104 24.431 17.472 19.338 1.00 0.38 C ATOM 973 C ARG A 104 25.212 18.270 18.300 1.00 0.27 C ATOM 974 O ARG A 104 26.096 19.056 18.641 1.00 0.38 O ATOM 975 CB ARG A 104 25.014 16.061 19.454 1.00 0.54 C ATOM 976 CG ARG A 104 23.978 14.990 19.757 1.00 0.89 C ATOM 977 CD ARG A 104 24.468 14.019 20.819 1.00 1.63 C ATOM 978 NE ARG A 104 25.060 14.711 21.963 1.00 2.09 N ATOM 979 CZ ARG A 104 26.322 14.558 22.371 1.00 2.56 C ATOM 980 NH1 ARG A 104 27.151 13.732 21.741 1.00 2.95 N ATOM 981 NH2 ARG A 104 26.759 15.240 23.421 1.00 3.16 N ATOM 0 H ARG A 104 22.711 16.508 18.625 1.00 0.27 H new ATOM 0 HA ARG A 104 24.517 17.970 20.304 1.00 0.38 H new ATOM 0 HB2 ARG A 104 25.520 15.810 18.522 1.00 0.54 H new ATOM 0 HB3 ARG A 104 25.770 16.054 20.239 1.00 0.54 H new ATOM 0 HG2 ARG A 104 23.055 15.462 20.093 1.00 0.89 H new ATOM 0 HG3 ARG A 104 23.742 14.443 18.844 1.00 0.89 H new ATOM 0 HD2 ARG A 104 23.635 13.403 21.159 1.00 1.63 H new ATOM 0 HD3 ARG A 104 25.205 13.345 20.382 1.00 1.63 H new ATOM 0 HE ARG A 104 24.467 15.356 22.486 1.00 2.09 H new ATOM 0 HH11 ARG A 104 26.826 13.203 20.932 1.00 2.95 H new ATOM 0 HH12 ARG A 104 28.112 13.628 22.067 1.00 2.95 H new ATOM 0 HH21 ARG A 104 26.132 15.877 23.912 1.00 3.16 H new ATOM 0 HH22 ARG A 104 27.722 15.127 23.737 1.00 3.16 H new ATOM 995 N TYR A 105 24.878 18.062 17.030 1.00 0.17 N ATOM 996 CA TYR A 105 25.546 18.760 15.938 1.00 0.11 C ATOM 997 C TYR A 105 24.605 19.757 15.273 1.00 0.11 C ATOM 998 O TYR A 105 24.493 19.799 14.048 1.00 0.23 O ATOM 999 CB TYR A 105 26.061 17.757 14.904 1.00 0.22 C ATOM 1000 CG TYR A 105 27.189 16.891 15.415 1.00 0.32 C ATOM 1001 CD1 TYR A 105 28.425 17.444 15.726 1.00 0.99 C ATOM 1002 CD2 TYR A 105 27.019 15.524 15.589 1.00 1.23 C ATOM 1003 CE1 TYR A 105 29.460 16.658 16.196 1.00 1.04 C ATOM 1004 CE2 TYR A 105 28.049 14.731 16.059 1.00 1.34 C ATOM 1005 CZ TYR A 105 29.267 15.303 16.361 1.00 0.69 C ATOM 1006 OH TYR A 105 30.295 14.517 16.829 1.00 0.89 O ATOM 0 H TYR A 105 24.148 17.415 16.732 1.00 0.17 H new ATOM 0 HA TYR A 105 26.391 19.309 16.353 1.00 0.11 H new ATOM 0 HB2 TYR A 105 25.237 17.117 14.588 1.00 0.22 H new ATOM 0 HB3 TYR A 105 26.401 18.299 14.021 1.00 0.22 H new ATOM 0 HD1 TYR A 105 28.579 18.505 15.598 1.00 0.99 H new ATOM 0 HD2 TYR A 105 26.066 15.073 15.353 1.00 1.23 H new ATOM 0 HE1 TYR A 105 30.415 17.103 16.433 1.00 1.04 H new ATOM 0 HE2 TYR A 105 27.901 13.669 16.189 1.00 1.34 H new ATOM 0 HH TYR A 105 29.994 13.586 16.889 1.00 0.89 H new ATOM 1016 N ARG A 106 23.932 20.559 16.090 1.00 0.10 N ATOM 1017 CA ARG A 106 23.001 21.559 15.583 1.00 0.10 C ATOM 1018 C ARG A 106 23.680 22.457 14.554 1.00 0.09 C ATOM 1019 O ARG A 106 23.070 22.854 13.561 1.00 0.21 O ATOM 1020 CB ARG A 106 22.453 22.404 16.734 1.00 0.14 C ATOM 1021 CG ARG A 106 21.090 23.012 16.448 1.00 1.31 C ATOM 1022 CD ARG A 106 20.227 23.059 17.699 1.00 1.96 C ATOM 1023 NE ARG A 106 19.514 24.327 17.826 1.00 2.39 N ATOM 1024 CZ ARG A 106 20.117 25.497 18.011 1.00 3.15 C ATOM 1025 NH1 ARG A 106 21.440 25.561 18.083 1.00 3.70 N ATOM 1026 NH2 ARG A 106 19.398 26.606 18.125 1.00 3.82 N ATOM 0 H ARG A 106 24.014 20.536 17.106 1.00 0.10 H new ATOM 0 HA ARG A 106 22.174 21.040 15.098 1.00 0.10 H new ATOM 0 HB2 ARG A 106 22.385 21.784 17.628 1.00 0.14 H new ATOM 0 HB3 ARG A 106 23.159 23.204 16.954 1.00 0.14 H new ATOM 0 HG2 ARG A 106 21.216 24.020 16.053 1.00 1.31 H new ATOM 0 HG3 ARG A 106 20.585 22.429 15.678 1.00 1.31 H new ATOM 0 HD2 ARG A 106 19.508 22.240 17.674 1.00 1.96 H new ATOM 0 HD3 ARG A 106 20.854 22.906 18.578 1.00 1.96 H new ATOM 0 HE ARG A 106 18.496 24.314 17.770 1.00 2.39 H new ATOM 0 HH11 ARG A 106 21.997 24.711 17.996 1.00 3.70 H new ATOM 0 HH12 ARG A 106 21.900 26.460 18.225 1.00 3.70 H new ATOM 0 HH21 ARG A 106 18.380 26.562 18.071 1.00 3.82 H new ATOM 0 HH22 ARG A 106 19.863 27.503 18.267 1.00 3.82 H new ATOM 1040 N ARG A 107 24.947 22.772 14.801 1.00 0.19 N ATOM 1041 CA ARG A 107 25.714 23.623 13.898 1.00 0.24 C ATOM 1042 C ARG A 107 26.307 22.811 12.751 1.00 0.26 C ATOM 1043 O ARG A 107 26.236 23.214 11.591 1.00 0.33 O ATOM 1044 CB ARG A 107 26.831 24.335 14.664 1.00 0.27 C ATOM 1045 CG ARG A 107 26.685 25.848 14.684 1.00 1.23 C ATOM 1046 CD ARG A 107 27.934 26.520 15.230 1.00 1.89 C ATOM 1047 NE ARG A 107 28.686 25.640 16.120 1.00 2.27 N ATOM 1048 CZ ARG A 107 29.998 25.733 16.314 1.00 2.79 C ATOM 1049 NH1 ARG A 107 30.698 26.672 15.691 1.00 3.06 N ATOM 1050 NH2 ARG A 107 30.610 24.890 17.134 1.00 3.57 N ATOM 0 H ARG A 107 25.465 22.451 15.619 1.00 0.19 H new ATOM 0 HA ARG A 107 25.036 24.366 13.478 1.00 0.24 H new ATOM 0 HB2 ARG A 107 26.849 23.966 15.690 1.00 0.27 H new ATOM 0 HB3 ARG A 107 27.790 24.077 14.215 1.00 0.27 H new ATOM 0 HG2 ARG A 107 26.488 26.209 13.675 1.00 1.23 H new ATOM 0 HG3 ARG A 107 25.825 26.124 15.295 1.00 1.23 H new ATOM 0 HD2 ARG A 107 28.572 26.828 14.401 1.00 1.89 H new ATOM 0 HD3 ARG A 107 27.652 27.425 15.768 1.00 1.89 H new ATOM 0 HE ARG A 107 28.176 24.913 16.621 1.00 2.27 H new ATOM 0 HH11 ARG A 107 30.230 27.324 15.062 1.00 3.06 H new ATOM 0 HH12 ARG A 107 31.704 26.742 15.841 1.00 3.06 H new ATOM 0 HH21 ARG A 107 30.074 24.169 17.617 1.00 3.57 H new ATOM 0 HH22 ARG A 107 31.617 24.963 17.282 1.00 3.57 H new ATOM 1064 N ALA A 108 26.892 21.665 13.084 1.00 0.30 N ATOM 1065 CA ALA A 108 27.498 20.797 12.080 1.00 0.35 C ATOM 1066 C ALA A 108 26.499 20.440 10.985 1.00 0.35 C ATOM 1067 O ALA A 108 26.883 20.142 9.854 1.00 0.55 O ATOM 1068 CB ALA A 108 28.039 19.534 12.732 1.00 0.41 C ATOM 0 H ALA A 108 26.959 21.316 14.040 1.00 0.30 H new ATOM 0 HA ALA A 108 28.324 21.340 11.620 1.00 0.35 H new ATOM 0 HB1 ALA A 108 28.488 18.896 11.971 1.00 0.41 H new ATOM 0 HB2 ALA A 108 28.793 19.801 13.473 1.00 0.41 H new ATOM 0 HB3 ALA A 108 27.224 18.999 13.220 1.00 0.41 H new ATOM 1074 N PHE A 109 25.215 20.469 11.329 1.00 0.24 N ATOM 1075 CA PHE A 109 24.161 20.147 10.375 1.00 0.22 C ATOM 1076 C PHE A 109 23.699 21.395 9.630 1.00 0.17 C ATOM 1077 O PHE A 109 23.712 21.438 8.400 1.00 0.23 O ATOM 1078 CB PHE A 109 22.977 19.499 11.095 1.00 0.25 C ATOM 1079 CG PHE A 109 21.646 19.835 10.485 1.00 0.28 C ATOM 1080 CD1 PHE A 109 21.177 19.133 9.387 1.00 1.01 C ATOM 1081 CD2 PHE A 109 20.866 20.853 11.009 1.00 1.36 C ATOM 1082 CE1 PHE A 109 19.953 19.439 8.823 1.00 0.98 C ATOM 1083 CE2 PHE A 109 19.641 21.164 10.450 1.00 1.44 C ATOM 1084 CZ PHE A 109 19.184 20.457 9.355 1.00 0.49 C ATOM 0 H PHE A 109 24.880 20.712 12.261 1.00 0.24 H new ATOM 0 HA PHE A 109 24.565 19.443 9.647 1.00 0.22 H new ATOM 0 HB2 PHE A 109 23.107 18.417 11.090 1.00 0.25 H new ATOM 0 HB3 PHE A 109 22.980 19.815 12.138 1.00 0.25 H new ATOM 0 HD1 PHE A 109 21.775 18.338 8.967 1.00 1.01 H new ATOM 0 HD2 PHE A 109 21.219 21.410 11.864 1.00 1.36 H new ATOM 0 HE1 PHE A 109 19.598 18.883 7.968 1.00 0.98 H new ATOM 0 HE2 PHE A 109 19.042 21.959 10.869 1.00 1.44 H new ATOM 0 HZ PHE A 109 18.228 20.699 8.915 1.00 0.49 H new ATOM 1094 N SER A 110 23.291 22.409 10.385 1.00 0.13 N ATOM 1095 CA SER A 110 22.822 23.661 9.801 1.00 0.12 C ATOM 1096 C SER A 110 23.770 24.145 8.708 1.00 0.11 C ATOM 1097 O SER A 110 23.359 24.365 7.569 1.00 0.24 O ATOM 1098 CB SER A 110 22.684 24.732 10.885 1.00 0.18 C ATOM 1099 OG SER A 110 23.864 25.510 10.988 0.50 1.33 O ATOM 0 H SER A 110 23.275 22.389 11.405 1.00 0.13 H new ATOM 0 HA SER A 110 21.846 23.479 9.352 1.00 0.12 H new ATOM 0 HB2 SER A 110 21.837 25.379 10.655 1.00 0.18 H new ATOM 0 HB3 SER A 110 22.472 24.258 11.844 1.00 0.18 H new ATOM 0 HG SER A 110 23.749 26.188 11.686 0.50 1.33 H new ATOM 1105 N ASP A 111 25.039 24.313 9.064 1.00 0.11 N ATOM 1106 CA ASP A 111 26.044 24.776 8.114 1.00 0.12 C ATOM 1107 C ASP A 111 26.070 23.896 6.867 1.00 0.11 C ATOM 1108 O ASP A 111 26.431 24.353 5.782 1.00 0.15 O ATOM 1109 CB ASP A 111 27.424 24.796 8.772 1.00 0.15 C ATOM 1110 CG ASP A 111 28.485 25.400 7.872 1.00 0.99 C ATOM 1111 OD1 ASP A 111 28.122 25.927 6.800 1.00 1.91 O ATOM 1112 OD2 ASP A 111 29.677 25.347 8.240 1.00 1.56 O ATOM 0 H ASP A 111 25.396 24.136 10.003 1.00 0.11 H new ATOM 0 HA ASP A 111 25.779 25.789 7.810 1.00 0.12 H new ATOM 0 HB2 ASP A 111 27.373 25.364 9.701 1.00 0.15 H new ATOM 0 HB3 ASP A 111 27.712 23.779 9.037 1.00 0.15 H new ATOM 1117 N LEU A 112 25.686 22.634 7.027 1.00 0.11 N ATOM 1118 CA LEU A 112 25.667 21.694 5.911 1.00 0.16 C ATOM 1119 C LEU A 112 24.484 21.973 4.986 1.00 0.13 C ATOM 1120 O LEU A 112 24.659 22.176 3.784 1.00 0.17 O ATOM 1121 CB LEU A 112 25.599 20.256 6.433 1.00 0.24 C ATOM 1122 CG LEU A 112 26.579 19.273 5.783 0.50 0.94 C ATOM 1123 CD1 LEU A 112 26.001 18.723 4.490 0.50 1.67 C ATOM 1124 CD2 LEU A 112 27.924 19.938 5.525 0.50 1.76 C ATOM 0 H LEU A 112 25.384 22.238 7.917 1.00 0.11 H new ATOM 0 HA LEU A 112 26.587 21.822 5.340 1.00 0.16 H new ATOM 0 HB2 LEU A 112 25.783 20.269 7.507 1.00 0.24 H new ATOM 0 HB3 LEU A 112 24.586 19.882 6.287 1.00 0.24 H new ATOM 0 HG LEU A 112 26.737 18.444 6.473 0.50 0.94 H new ATOM 0 HD11 LEU A 112 26.710 18.027 4.042 0.50 1.67 H new ATOM 0 HD12 LEU A 112 25.066 18.204 4.701 0.50 1.67 H new ATOM 0 HD13 LEU A 112 25.812 19.544 3.798 0.50 1.67 H new ATOM 0 HD21 LEU A 112 28.602 19.220 5.063 0.50 1.76 H new ATOM 0 HD22 LEU A 112 27.787 20.789 4.858 0.50 1.76 H new ATOM 0 HD23 LEU A 112 28.347 20.282 6.469 0.50 1.76 H new ATOM 1136 N THR A 113 23.283 21.983 5.554 1.00 0.13 N ATOM 1137 CA THR A 113 22.072 22.238 4.780 1.00 0.12 C ATOM 1138 C THR A 113 22.191 23.536 3.988 1.00 0.10 C ATOM 1139 O THR A 113 21.460 23.755 3.023 1.00 0.15 O ATOM 1140 CB THR A 113 20.855 22.306 5.705 1.00 0.16 C ATOM 1141 OG1 THR A 113 19.683 21.896 5.023 1.00 1.19 O ATOM 1142 CG2 THR A 113 20.602 23.692 6.261 1.00 1.24 C ATOM 0 H THR A 113 23.121 21.818 6.547 1.00 0.13 H new ATOM 0 HA THR A 113 21.944 21.415 4.077 1.00 0.12 H new ATOM 0 HB THR A 113 21.084 21.636 6.534 1.00 0.16 H new ATOM 0 HG1 THR A 113 19.685 22.269 4.117 1.00 1.19 H new ATOM 0 HG21 THR A 113 19.725 23.670 6.908 1.00 1.24 H new ATOM 0 HG22 THR A 113 21.469 24.017 6.835 1.00 1.24 H new ATOM 0 HG23 THR A 113 20.429 24.387 5.440 1.00 1.24 H new ATOM 1150 N SER A 114 23.113 24.396 4.406 1.00 0.12 N ATOM 1151 CA SER A 114 23.323 25.676 3.738 1.00 0.15 C ATOM 1152 C SER A 114 24.449 25.584 2.712 1.00 0.16 C ATOM 1153 O SER A 114 24.887 26.596 2.166 1.00 0.23 O ATOM 1154 CB SER A 114 23.643 26.762 4.767 1.00 0.19 C ATOM 1155 OG SER A 114 23.554 28.054 4.192 0.50 1.26 O ATOM 0 H SER A 114 23.727 24.231 5.204 1.00 0.12 H new ATOM 0 HA SER A 114 22.404 25.937 3.214 1.00 0.15 H new ATOM 0 HB2 SER A 114 22.952 26.686 5.607 1.00 0.19 H new ATOM 0 HB3 SER A 114 24.646 26.606 5.164 1.00 0.19 H new ATOM 0 HG SER A 114 23.910 28.031 3.279 0.50 1.26 H new ATOM 1161 N GLN A 115 24.917 24.366 2.457 1.00 0.13 N ATOM 1162 CA GLN A 115 25.996 24.149 1.499 1.00 0.16 C ATOM 1163 C GLN A 115 25.447 23.770 0.127 1.00 0.18 C ATOM 1164 O GLN A 115 26.165 23.815 -0.872 1.00 0.32 O ATOM 1165 CB GLN A 115 26.939 23.053 2.001 1.00 0.18 C ATOM 1166 CG GLN A 115 28.042 23.569 2.910 1.00 0.94 C ATOM 1167 CD GLN A 115 29.372 23.701 2.193 1.00 1.61 C ATOM 1168 OE1 GLN A 115 29.537 23.218 1.073 1.00 2.21 O ATOM 1169 NE2 GLN A 115 30.329 24.357 2.839 1.00 2.45 N ATOM 0 H GLN A 115 24.567 23.516 2.899 1.00 0.13 H new ATOM 0 HA GLN A 115 26.549 25.083 1.401 1.00 0.16 H new ATOM 0 HB2 GLN A 115 26.358 22.303 2.538 1.00 0.18 H new ATOM 0 HB3 GLN A 115 27.390 22.553 1.144 1.00 0.18 H new ATOM 0 HG2 GLN A 115 27.752 24.540 3.313 1.00 0.94 H new ATOM 0 HG3 GLN A 115 28.155 22.893 3.758 1.00 0.94 H new ATOM 0 HE21 GLN A 115 30.148 24.741 3.766 1.00 2.45 H new ATOM 0 HE22 GLN A 115 31.246 24.477 2.408 1.00 2.45 H new ATOM 1178 N LEU A 116 24.174 23.392 0.083 1.00 0.07 N ATOM 1179 CA LEU A 116 23.539 23.001 -1.170 1.00 0.07 C ATOM 1180 C LEU A 116 22.104 23.512 -1.246 1.00 0.07 C ATOM 1181 O LEU A 116 21.279 23.204 -0.387 1.00 0.11 O ATOM 1182 CB LEU A 116 23.556 21.479 -1.317 1.00 0.08 C ATOM 1183 CG LEU A 116 22.571 20.915 -2.343 1.00 1.02 C ATOM 1184 CD1 LEU A 116 22.543 21.786 -3.589 1.00 1.70 C ATOM 1185 CD2 LEU A 116 22.939 19.483 -2.700 1.00 2.07 C ATOM 0 H LEU A 116 23.563 23.348 0.899 1.00 0.07 H new ATOM 0 HA LEU A 116 24.105 23.450 -1.986 1.00 0.07 H new ATOM 0 HB2 LEU A 116 24.563 21.168 -1.594 1.00 0.08 H new ATOM 0 HB3 LEU A 116 23.340 21.033 -0.346 1.00 0.08 H new ATOM 0 HG LEU A 116 21.574 20.915 -1.902 1.00 1.02 H new ATOM 0 HD11 LEU A 116 21.837 21.370 -4.308 1.00 1.70 H new ATOM 0 HD12 LEU A 116 22.234 22.796 -3.320 1.00 1.70 H new ATOM 0 HD13 LEU A 116 23.538 21.817 -4.034 1.00 1.70 H new ATOM 0 HD21 LEU A 116 22.229 19.096 -3.431 1.00 2.07 H new ATOM 0 HD22 LEU A 116 23.943 19.460 -3.123 1.00 2.07 H new ATOM 0 HD23 LEU A 116 22.909 18.865 -1.803 1.00 2.07 H new ATOM 1197 N HIS A 117 21.812 24.287 -2.286 1.00 0.08 N ATOM 1198 CA HIS A 117 20.474 24.833 -2.483 1.00 0.08 C ATOM 1199 C HIS A 117 19.752 24.085 -3.601 1.00 0.08 C ATOM 1200 O HIS A 117 19.917 24.399 -4.780 1.00 0.11 O ATOM 1201 CB HIS A 117 20.550 26.326 -2.808 1.00 0.10 C ATOM 1202 CG HIS A 117 19.601 27.160 -2.005 1.00 1.28 C ATOM 1203 ND1 HIS A 117 18.975 28.284 -2.504 1.00 2.29 N ATOM 1204 CD2 HIS A 117 19.170 27.027 -0.729 1.00 2.18 C ATOM 1205 CE1 HIS A 117 18.201 28.806 -1.568 1.00 3.18 C ATOM 1206 NE2 HIS A 117 18.301 28.061 -0.483 1.00 3.11 N ATOM 0 H HIS A 117 22.485 24.551 -3.006 1.00 0.08 H new ATOM 0 HA HIS A 117 19.910 24.706 -1.559 1.00 0.08 H new ATOM 0 HB2 HIS A 117 21.567 26.677 -2.633 1.00 0.10 H new ATOM 0 HB3 HIS A 117 20.341 26.470 -3.868 1.00 0.10 H new ATOM 0 HD2 HIS A 117 19.456 26.252 -0.034 1.00 2.18 H new ATOM 0 HE1 HIS A 117 17.591 29.691 -1.673 1.00 3.18 H new ATOM 0 HE2 HIS A 117 17.812 28.227 0.396 1.00 3.11 H new ATOM 1214 N ILE A 118 18.961 23.085 -3.220 1.00 0.08 N ATOM 1215 CA ILE A 118 18.224 22.278 -4.186 1.00 0.08 C ATOM 1216 C ILE A 118 17.215 23.110 -4.972 1.00 0.10 C ATOM 1217 O ILE A 118 16.544 23.982 -4.421 1.00 0.21 O ATOM 1218 CB ILE A 118 17.481 21.117 -3.496 1.00 0.11 C ATOM 1219 CG1 ILE A 118 16.664 20.324 -4.516 1.00 1.38 C ATOM 1220 CG2 ILE A 118 16.583 21.647 -2.389 1.00 1.38 C ATOM 1221 CD1 ILE A 118 17.510 19.597 -5.538 1.00 2.32 C ATOM 0 H ILE A 118 18.815 22.815 -2.247 1.00 0.08 H new ATOM 0 HA ILE A 118 18.965 21.877 -4.877 1.00 0.08 H new ATOM 0 HB ILE A 118 18.219 20.448 -3.052 1.00 0.11 H new ATOM 0 HG12 ILE A 118 16.045 19.599 -3.988 1.00 1.38 H new ATOM 0 HG13 ILE A 118 15.988 21.004 -5.034 1.00 1.38 H new ATOM 0 HG21 ILE A 118 16.065 20.815 -1.911 1.00 1.38 H new ATOM 0 HG22 ILE A 118 17.188 22.171 -1.649 1.00 1.38 H new ATOM 0 HG23 ILE A 118 15.851 22.335 -2.812 1.00 1.38 H new ATOM 0 HD11 ILE A 118 16.862 19.056 -6.228 1.00 2.32 H new ATOM 0 HD12 ILE A 118 18.110 20.318 -6.093 1.00 2.32 H new ATOM 0 HD13 ILE A 118 18.168 18.892 -5.030 1.00 2.32 H new ATOM 1233 N THR A 119 17.112 22.820 -6.266 1.00 0.06 N ATOM 1234 CA THR A 119 16.184 23.520 -7.147 1.00 0.06 C ATOM 1235 C THR A 119 15.841 22.649 -8.351 1.00 0.06 C ATOM 1236 O THR A 119 16.505 21.644 -8.611 1.00 0.10 O ATOM 1237 CB THR A 119 16.785 24.847 -7.617 1.00 0.07 C ATOM 1238 OG1 THR A 119 17.635 24.645 -8.731 1.00 1.20 O ATOM 1239 CG2 THR A 119 17.589 25.556 -6.549 1.00 1.15 C ATOM 0 H THR A 119 17.665 22.099 -6.730 1.00 0.06 H new ATOM 0 HA THR A 119 15.272 23.729 -6.588 1.00 0.06 H new ATOM 0 HB THR A 119 15.931 25.472 -7.878 1.00 0.07 H new ATOM 0 HG1 THR A 119 18.294 23.952 -8.518 1.00 1.20 H new ATOM 0 HG21 THR A 119 17.985 26.489 -6.951 1.00 1.15 H new ATOM 0 HG22 THR A 119 16.948 25.772 -5.695 1.00 1.15 H new ATOM 0 HG23 THR A 119 18.414 24.918 -6.231 1.00 1.15 H new ATOM 1247 N PRO A 120 14.795 23.020 -9.103 1.00 0.05 N ATOM 1248 CA PRO A 120 14.365 22.264 -10.284 1.00 0.06 C ATOM 1249 C PRO A 120 15.491 22.085 -11.295 1.00 0.06 C ATOM 1250 O PRO A 120 15.582 21.054 -11.962 1.00 0.10 O ATOM 1251 CB PRO A 120 13.245 23.125 -10.875 1.00 0.08 C ATOM 1252 CG PRO A 120 12.756 23.953 -9.736 1.00 0.10 C ATOM 1253 CD PRO A 120 13.952 24.200 -8.860 1.00 0.10 C ATOM 0 HA PRO A 120 14.048 21.253 -10.027 1.00 0.06 H new ATOM 0 HB2 PRO A 120 13.614 23.750 -11.688 1.00 0.08 H new ATOM 0 HB3 PRO A 120 12.446 22.507 -11.286 1.00 0.08 H new ATOM 0 HG2 PRO A 120 12.331 24.892 -10.090 1.00 0.10 H new ATOM 0 HG3 PRO A 120 11.970 23.435 -9.186 1.00 0.10 H new ATOM 0 HD2 PRO A 120 14.465 25.124 -9.129 1.00 0.10 H new ATOM 0 HD3 PRO A 120 13.672 24.285 -7.810 1.00 0.10 H new ATOM 1261 N GLY A 121 16.348 23.095 -11.405 1.00 0.05 N ATOM 1262 CA GLY A 121 17.456 23.026 -12.339 1.00 0.07 C ATOM 1263 C GLY A 121 18.686 22.377 -11.735 1.00 0.08 C ATOM 1264 O GLY A 121 19.700 22.205 -12.412 1.00 0.18 O ATOM 0 H GLY A 121 16.295 23.959 -10.865 1.00 0.05 H new ATOM 0 HA2 GLY A 121 17.149 22.464 -13.221 1.00 0.07 H new ATOM 0 HA3 GLY A 121 17.708 24.032 -12.674 1.00 0.07 H new ATOM 1268 N THR A 122 18.598 22.014 -10.460 1.00 0.08 N ATOM 1269 CA THR A 122 19.713 21.379 -9.768 1.00 0.08 C ATOM 1270 C THR A 122 19.998 19.998 -10.350 1.00 0.08 C ATOM 1271 O THR A 122 19.079 19.224 -10.618 1.00 0.16 O ATOM 1272 CB THR A 122 19.413 21.263 -8.273 1.00 0.12 C ATOM 1273 OG1 THR A 122 19.392 22.542 -7.666 1.00 1.10 O ATOM 1274 CG2 THR A 122 20.417 20.414 -7.524 1.00 1.23 C ATOM 0 H THR A 122 17.766 22.149 -9.885 1.00 0.08 H new ATOM 0 HA THR A 122 20.597 22.002 -9.907 1.00 0.08 H new ATOM 0 HB THR A 122 18.438 20.780 -8.211 1.00 0.12 H new ATOM 0 HG1 THR A 122 19.822 22.494 -6.787 1.00 1.10 H new ATOM 0 HG21 THR A 122 20.145 20.374 -6.469 1.00 1.23 H new ATOM 0 HG22 THR A 122 20.420 19.405 -7.937 1.00 1.23 H new ATOM 0 HG23 THR A 122 21.411 20.851 -7.626 1.00 1.23 H new ATOM 1282 N ALA A 123 21.278 19.695 -10.542 1.00 0.06 N ATOM 1283 CA ALA A 123 21.684 18.407 -11.092 1.00 0.07 C ATOM 1284 C ALA A 123 22.049 17.428 -9.982 1.00 0.09 C ATOM 1285 O ALA A 123 22.739 17.786 -9.028 1.00 0.21 O ATOM 1286 CB ALA A 123 22.856 18.587 -12.044 1.00 0.08 C ATOM 0 H ALA A 123 22.051 20.324 -10.325 1.00 0.06 H new ATOM 0 HA ALA A 123 20.841 17.993 -11.644 1.00 0.07 H new ATOM 0 HB1 ALA A 123 23.149 17.618 -12.447 1.00 0.08 H new ATOM 0 HB2 ALA A 123 22.563 19.247 -12.861 1.00 0.08 H new ATOM 0 HB3 ALA A 123 23.697 19.026 -11.507 1.00 0.08 H new ATOM 1292 N TYR A 124 21.583 16.189 -10.114 1.00 0.07 N ATOM 1293 CA TYR A 124 21.865 15.160 -9.120 1.00 0.07 C ATOM 1294 C TYR A 124 23.349 15.139 -8.771 1.00 0.07 C ATOM 1295 O TYR A 124 23.734 14.721 -7.679 1.00 0.10 O ATOM 1296 CB TYR A 124 21.428 13.788 -9.636 1.00 0.07 C ATOM 1297 CG TYR A 124 22.505 12.731 -9.543 1.00 1.00 C ATOM 1298 CD1 TYR A 124 23.593 12.744 -10.406 1.00 1.78 C ATOM 1299 CD2 TYR A 124 22.433 11.720 -8.592 1.00 1.90 C ATOM 1300 CE1 TYR A 124 24.579 11.779 -10.326 1.00 2.59 C ATOM 1301 CE2 TYR A 124 23.416 10.752 -8.505 1.00 2.73 C ATOM 1302 CZ TYR A 124 24.486 10.785 -9.374 1.00 2.89 C ATOM 1303 OH TYR A 124 25.466 9.823 -9.291 1.00 3.83 O ATOM 0 H TYR A 124 21.010 15.875 -10.897 1.00 0.07 H new ATOM 0 HA TYR A 124 21.300 15.394 -8.218 1.00 0.07 H new ATOM 0 HB2 TYR A 124 20.557 13.457 -9.070 1.00 0.07 H new ATOM 0 HB3 TYR A 124 21.115 13.884 -10.676 1.00 0.07 H new ATOM 0 HD1 TYR A 124 23.670 13.521 -11.152 1.00 1.78 H new ATOM 0 HD2 TYR A 124 21.596 11.690 -7.910 1.00 1.90 H new ATOM 0 HE1 TYR A 124 25.418 11.803 -11.005 1.00 2.59 H new ATOM 0 HE2 TYR A 124 23.346 9.973 -7.760 1.00 2.73 H new ATOM 0 HH TYR A 124 25.250 9.198 -8.568 1.00 3.83 H new ATOM 1313 N GLN A 125 24.178 15.599 -9.704 1.00 0.07 N ATOM 1314 CA GLN A 125 25.620 15.638 -9.490 1.00 0.08 C ATOM 1315 C GLN A 125 25.965 16.568 -8.334 1.00 0.09 C ATOM 1316 O GLN A 125 26.645 16.173 -7.386 1.00 0.15 O ATOM 1317 CB GLN A 125 26.336 16.101 -10.760 1.00 0.09 C ATOM 1318 CG GLN A 125 27.833 15.834 -10.746 1.00 1.36 C ATOM 1319 CD GLN A 125 28.365 15.429 -12.107 1.00 2.18 C ATOM 1320 OE1 GLN A 125 28.652 14.257 -12.350 1.00 2.90 O ATOM 1321 NE2 GLN A 125 28.502 16.400 -13.002 1.00 2.76 N ATOM 0 H GLN A 125 23.876 15.949 -10.613 1.00 0.07 H new ATOM 0 HA GLN A 125 25.954 14.631 -9.242 1.00 0.08 H new ATOM 0 HB2 GLN A 125 25.894 15.599 -11.620 1.00 0.09 H new ATOM 0 HB3 GLN A 125 26.167 17.170 -10.893 1.00 0.09 H new ATOM 0 HG2 GLN A 125 28.355 16.729 -10.407 1.00 1.36 H new ATOM 0 HG3 GLN A 125 28.051 15.046 -10.025 1.00 1.36 H new ATOM 0 HE21 GLN A 125 28.252 17.358 -12.757 1.00 2.76 H new ATOM 0 HE22 GLN A 125 28.858 16.188 -13.934 1.00 2.76 H new ATOM 1330 N SER A 126 25.487 17.805 -8.417 1.00 0.05 N ATOM 1331 CA SER A 126 25.739 18.793 -7.377 1.00 0.06 C ATOM 1332 C SER A 126 25.388 18.231 -6.004 1.00 0.07 C ATOM 1333 O SER A 126 25.875 18.713 -4.982 1.00 0.10 O ATOM 1334 CB SER A 126 24.934 20.065 -7.644 1.00 0.08 C ATOM 1335 OG SER A 126 24.157 20.423 -6.514 1.00 1.29 O ATOM 0 H SER A 126 24.923 18.146 -9.195 1.00 0.05 H new ATOM 0 HA SER A 126 26.801 19.039 -7.391 1.00 0.06 H new ATOM 0 HB2 SER A 126 25.611 20.881 -7.897 1.00 0.08 H new ATOM 0 HB3 SER A 126 24.282 19.913 -8.504 1.00 0.08 H new ATOM 0 HG SER A 126 23.653 21.240 -6.709 1.00 1.29 H new ATOM 1341 N PHE A 127 24.539 17.208 -5.989 1.00 0.06 N ATOM 1342 CA PHE A 127 24.126 16.578 -4.741 1.00 0.08 C ATOM 1343 C PHE A 127 25.158 15.557 -4.281 1.00 0.09 C ATOM 1344 O PHE A 127 25.731 15.680 -3.200 1.00 0.17 O ATOM 1345 CB PHE A 127 22.770 15.890 -4.903 1.00 0.09 C ATOM 1346 CG PHE A 127 22.402 15.033 -3.727 1.00 0.88 C ATOM 1347 CD1 PHE A 127 22.830 15.370 -2.453 1.00 1.31 C ATOM 1348 CD2 PHE A 127 21.633 13.892 -3.891 1.00 1.95 C ATOM 1349 CE1 PHE A 127 22.499 14.587 -1.364 1.00 1.91 C ATOM 1350 CE2 PHE A 127 21.297 13.104 -2.805 1.00 2.64 C ATOM 1351 CZ PHE A 127 21.731 13.453 -1.540 1.00 2.42 C ATOM 0 H PHE A 127 24.124 16.799 -6.826 1.00 0.06 H new ATOM 0 HA PHE A 127 24.041 17.362 -3.989 1.00 0.08 H new ATOM 0 HB2 PHE A 127 22.000 16.647 -5.049 1.00 0.09 H new ATOM 0 HB3 PHE A 127 22.786 15.275 -5.803 1.00 0.09 H new ATOM 0 HD1 PHE A 127 23.430 16.256 -2.309 1.00 1.31 H new ATOM 0 HD2 PHE A 127 21.292 13.615 -4.878 1.00 1.95 H new ATOM 0 HE1 PHE A 127 22.840 14.861 -0.377 1.00 1.91 H new ATOM 0 HE2 PHE A 127 20.696 12.217 -2.945 1.00 2.64 H new ATOM 0 HZ PHE A 127 21.470 12.840 -0.690 1.00 2.42 H new ATOM 1361 N GLU A 128 25.385 14.545 -5.112 1.00 0.08 N ATOM 1362 CA GLU A 128 26.342 13.495 -4.794 1.00 0.09 C ATOM 1363 C GLU A 128 27.701 14.087 -4.428 1.00 0.09 C ATOM 1364 O GLU A 128 28.527 13.426 -3.800 1.00 0.19 O ATOM 1365 CB GLU A 128 26.451 12.509 -5.970 1.00 0.11 C ATOM 1366 CG GLU A 128 27.704 12.644 -6.828 1.00 1.10 C ATOM 1367 CD GLU A 128 28.627 11.448 -6.691 1.00 1.44 C ATOM 1368 OE1 GLU A 128 28.162 10.312 -6.924 1.00 2.05 O ATOM 1369 OE2 GLU A 128 29.811 11.646 -6.351 1.00 2.06 O ATOM 0 H GLU A 128 24.918 14.431 -6.012 1.00 0.08 H new ATOM 0 HA GLU A 128 25.986 12.946 -3.922 1.00 0.09 H new ATOM 0 HB2 GLU A 128 26.410 11.494 -5.575 1.00 0.11 H new ATOM 0 HB3 GLU A 128 25.578 12.637 -6.610 1.00 0.11 H new ATOM 0 HG2 GLU A 128 27.416 12.760 -7.873 1.00 1.10 H new ATOM 0 HG3 GLU A 128 28.241 13.549 -6.543 1.00 1.10 H new ATOM 1376 N GLN A 129 27.920 15.340 -4.818 1.00 0.11 N ATOM 1377 CA GLN A 129 29.173 16.025 -4.522 1.00 0.12 C ATOM 1378 C GLN A 129 29.247 16.405 -3.046 1.00 0.15 C ATOM 1379 O GLN A 129 30.102 15.916 -2.309 1.00 0.33 O ATOM 1380 CB GLN A 129 29.307 17.283 -5.385 1.00 0.15 C ATOM 1381 CG GLN A 129 30.263 17.126 -6.558 1.00 1.39 C ATOM 1382 CD GLN A 129 31.053 18.390 -6.835 1.00 2.14 C ATOM 1383 OE1 GLN A 129 32.046 18.675 -6.167 1.00 2.97 O ATOM 1384 NE2 GLN A 129 30.613 19.158 -7.826 1.00 2.52 N ATOM 0 H GLN A 129 27.246 15.901 -5.339 1.00 0.11 H new ATOM 0 HA GLN A 129 29.993 15.344 -4.750 1.00 0.12 H new ATOM 0 HB2 GLN A 129 28.323 17.558 -5.765 1.00 0.15 H new ATOM 0 HB3 GLN A 129 29.648 18.107 -4.758 1.00 0.15 H new ATOM 0 HG2 GLN A 129 30.953 16.307 -6.353 1.00 1.39 H new ATOM 0 HG3 GLN A 129 29.698 16.852 -7.449 1.00 1.39 H new ATOM 0 HE21 GLN A 129 29.785 18.884 -8.355 1.00 2.52 H new ATOM 0 HE22 GLN A 129 31.103 20.022 -8.058 1.00 2.52 H new ATOM 1393 N VAL A 130 28.346 17.288 -2.625 1.00 0.16 N ATOM 1394 CA VAL A 130 28.307 17.748 -1.241 1.00 0.18 C ATOM 1395 C VAL A 130 28.290 16.583 -0.257 1.00 0.19 C ATOM 1396 O VAL A 130 28.984 16.610 0.759 1.00 0.31 O ATOM 1397 CB VAL A 130 27.076 18.635 -0.982 1.00 0.20 C ATOM 1398 CG1 VAL A 130 26.899 19.644 -2.105 1.00 1.38 C ATOM 1399 CG2 VAL A 130 25.829 17.779 -0.820 1.00 1.27 C ATOM 0 H VAL A 130 27.631 17.700 -3.225 1.00 0.16 H new ATOM 0 HA VAL A 130 29.215 18.330 -1.085 1.00 0.18 H new ATOM 0 HB VAL A 130 27.234 19.185 -0.055 1.00 0.20 H new ATOM 0 HG11 VAL A 130 26.024 20.262 -1.904 1.00 1.38 H new ATOM 0 HG12 VAL A 130 27.784 20.277 -2.168 1.00 1.38 H new ATOM 0 HG13 VAL A 130 26.762 19.117 -3.049 1.00 1.38 H new ATOM 0 HG21 VAL A 130 24.968 18.422 -0.638 1.00 1.27 H new ATOM 0 HG22 VAL A 130 25.664 17.201 -1.729 1.00 1.27 H new ATOM 0 HG23 VAL A 130 25.960 17.100 0.023 1.00 1.27 H new ATOM 1409 N VAL A 131 27.493 15.561 -0.557 1.00 0.14 N ATOM 1410 CA VAL A 131 27.400 14.394 0.322 1.00 0.16 C ATOM 1411 C VAL A 131 28.710 13.618 0.328 1.00 0.15 C ATOM 1412 O VAL A 131 29.034 12.933 1.299 1.00 0.26 O ATOM 1413 CB VAL A 131 26.260 13.423 -0.071 1.00 0.18 C ATOM 1414 CG1 VAL A 131 25.445 13.949 -1.243 1.00 1.42 C ATOM 1415 CG2 VAL A 131 26.827 12.049 -0.389 1.00 1.39 C ATOM 0 H VAL A 131 26.908 15.514 -1.391 1.00 0.14 H new ATOM 0 HA VAL A 131 27.181 14.790 1.314 1.00 0.16 H new ATOM 0 HB VAL A 131 25.586 13.342 0.782 1.00 0.18 H new ATOM 0 HG11 VAL A 131 24.656 13.237 -1.486 1.00 1.42 H new ATOM 0 HG12 VAL A 131 25.000 14.907 -0.976 1.00 1.42 H new ATOM 0 HG13 VAL A 131 26.095 14.080 -2.108 1.00 1.42 H new ATOM 0 HG21 VAL A 131 26.015 11.375 -0.664 1.00 1.39 H new ATOM 0 HG22 VAL A 131 27.530 12.128 -1.219 1.00 1.39 H new ATOM 0 HG23 VAL A 131 27.343 11.657 0.487 1.00 1.39 H new ATOM 1425 N ASN A 132 29.457 13.726 -0.764 1.00 0.11 N ATOM 1426 CA ASN A 132 30.732 13.031 -0.890 1.00 0.12 C ATOM 1427 C ASN A 132 31.747 13.547 0.126 1.00 0.13 C ATOM 1428 O ASN A 132 32.355 12.766 0.857 1.00 0.33 O ATOM 1429 CB ASN A 132 31.286 13.193 -2.307 1.00 0.16 C ATOM 1430 CG ASN A 132 32.507 12.327 -2.555 1.00 0.99 C ATOM 1431 OD1 ASN A 132 32.763 11.369 -1.825 1.00 1.84 O ATOM 1432 ND2 ASN A 132 33.269 12.661 -3.591 1.00 1.66 N ATOM 0 H ASN A 132 29.202 14.289 -1.576 1.00 0.11 H new ATOM 0 HA ASN A 132 30.557 11.974 -0.690 1.00 0.12 H new ATOM 0 HB2 ASN A 132 30.510 12.937 -3.029 1.00 0.16 H new ATOM 0 HB3 ASN A 132 31.545 14.238 -2.475 1.00 0.16 H new ATOM 0 HD21 ASN A 132 34.103 12.115 -3.807 1.00 1.66 H new ATOM 0 HD22 ASN A 132 33.020 13.463 -4.170 1.00 1.66 H new ATOM 1439 N GLU A 133 31.929 14.863 0.167 1.00 0.27 N ATOM 1440 CA GLU A 133 32.875 15.471 1.097 1.00 0.29 C ATOM 1441 C GLU A 133 32.573 15.046 2.529 1.00 0.28 C ATOM 1442 O GLU A 133 33.452 14.564 3.243 1.00 0.41 O ATOM 1443 CB GLU A 133 32.831 16.992 0.987 1.00 0.36 C ATOM 1444 CG GLU A 133 33.686 17.547 -0.142 1.00 0.94 C ATOM 1445 CD GLU A 133 35.063 16.915 -0.192 1.00 1.20 C ATOM 1446 OE1 GLU A 133 35.586 16.547 0.880 1.00 1.98 O ATOM 1447 OE2 GLU A 133 35.619 16.790 -1.304 1.00 1.72 O ATOM 0 H GLU A 133 31.436 15.527 -0.430 1.00 0.27 H new ATOM 0 HA GLU A 133 33.875 15.127 0.834 1.00 0.29 H new ATOM 0 HB2 GLU A 133 31.798 17.307 0.838 1.00 0.36 H new ATOM 0 HB3 GLU A 133 33.164 17.426 1.930 1.00 0.36 H new ATOM 0 HG2 GLU A 133 33.179 17.381 -1.093 1.00 0.94 H new ATOM 0 HG3 GLU A 133 33.789 18.625 -0.019 1.00 0.94 H new ATOM 1454 N LEU A 134 31.320 15.218 2.939 1.00 0.33 N ATOM 1455 CA LEU A 134 30.898 14.840 4.282 1.00 0.36 C ATOM 1456 C LEU A 134 31.145 13.349 4.511 1.00 0.31 C ATOM 1457 O LEU A 134 31.128 12.871 5.645 1.00 0.37 O ATOM 1458 CB LEU A 134 29.415 15.194 4.482 1.00 0.46 C ATOM 1459 CG LEU A 134 28.590 14.222 5.337 1.00 0.62 C ATOM 1460 CD1 LEU A 134 28.636 14.620 6.807 1.00 0.58 C ATOM 1461 CD2 LEU A 134 27.150 14.186 4.849 1.00 1.35 C ATOM 0 H LEU A 134 30.580 15.616 2.361 1.00 0.33 H new ATOM 0 HA LEU A 134 31.484 15.395 5.015 1.00 0.36 H new ATOM 0 HB2 LEU A 134 29.358 16.182 4.938 1.00 0.46 H new ATOM 0 HB3 LEU A 134 28.946 15.268 3.501 1.00 0.46 H new ATOM 0 HG LEU A 134 29.023 13.227 5.238 1.00 0.62 H new ATOM 0 HD11 LEU A 134 28.044 13.917 7.393 1.00 0.58 H new ATOM 0 HD12 LEU A 134 29.669 14.605 7.156 1.00 0.58 H new ATOM 0 HD13 LEU A 134 28.228 15.624 6.925 1.00 0.58 H new ATOM 0 HD21 LEU A 134 26.575 13.493 5.463 1.00 1.35 H new ATOM 0 HD22 LEU A 134 26.716 15.183 4.923 1.00 1.35 H new ATOM 0 HD23 LEU A 134 27.126 13.856 3.810 1.00 1.35 H new ATOM 1473 N PHE A 135 31.379 12.620 3.420 1.00 0.25 N ATOM 1474 CA PHE A 135 31.636 11.185 3.491 1.00 0.25 C ATOM 1475 C PHE A 135 33.054 10.858 3.028 1.00 0.19 C ATOM 1476 O PHE A 135 33.430 9.689 2.933 1.00 0.30 O ATOM 1477 CB PHE A 135 30.625 10.424 2.631 1.00 0.35 C ATOM 1478 CG PHE A 135 29.393 10.005 3.379 1.00 0.54 C ATOM 1479 CD1 PHE A 135 29.485 9.156 4.470 1.00 1.32 C ATOM 1480 CD2 PHE A 135 28.143 10.461 2.992 1.00 1.32 C ATOM 1481 CE1 PHE A 135 28.353 8.770 5.161 1.00 1.58 C ATOM 1482 CE2 PHE A 135 27.007 10.078 3.680 1.00 1.60 C ATOM 1483 CZ PHE A 135 27.112 9.232 4.766 1.00 1.36 C ATOM 0 H PHE A 135 31.395 13.003 2.475 1.00 0.25 H new ATOM 0 HA PHE A 135 31.532 10.876 4.531 1.00 0.25 H new ATOM 0 HB2 PHE A 135 30.333 11.051 1.789 1.00 0.35 H new ATOM 0 HB3 PHE A 135 31.107 9.538 2.217 1.00 0.35 H new ATOM 0 HD1 PHE A 135 30.452 8.792 4.784 1.00 1.32 H new ATOM 0 HD2 PHE A 135 28.055 11.123 2.143 1.00 1.32 H new ATOM 0 HE1 PHE A 135 28.438 8.107 6.010 1.00 1.58 H new ATOM 0 HE2 PHE A 135 26.038 10.440 3.368 1.00 1.60 H new ATOM 0 HZ PHE A 135 26.226 8.932 5.306 1.00 1.36 H new ATOM 1493 N ARG A 136 33.833 11.894 2.733 1.00 0.17 N ATOM 1494 CA ARG A 136 35.205 11.715 2.271 1.00 0.13 C ATOM 1495 C ARG A 136 36.044 10.959 3.297 1.00 0.17 C ATOM 1496 O ARG A 136 36.792 10.046 2.947 1.00 0.26 O ATOM 1497 CB ARG A 136 35.843 13.074 1.972 1.00 0.16 C ATOM 1498 CG ARG A 136 37.288 13.187 2.427 1.00 1.23 C ATOM 1499 CD ARG A 136 38.001 14.334 1.729 1.00 1.96 C ATOM 1500 NE ARG A 136 39.149 14.814 2.493 1.00 2.82 N ATOM 1501 CZ ARG A 136 39.708 16.007 2.312 1.00 3.63 C ATOM 1502 NH1 ARG A 136 39.223 16.835 1.397 1.00 3.90 N ATOM 1503 NH2 ARG A 136 40.750 16.372 3.045 1.00 4.60 N ATOM 0 H ARG A 136 33.537 12.867 2.806 1.00 0.17 H new ATOM 0 HA ARG A 136 35.175 11.122 1.357 1.00 0.13 H new ATOM 0 HB2 ARG A 136 35.794 13.259 0.899 1.00 0.16 H new ATOM 0 HB3 ARG A 136 35.257 13.855 2.457 1.00 0.16 H new ATOM 0 HG2 ARG A 136 37.321 13.339 3.506 1.00 1.23 H new ATOM 0 HG3 ARG A 136 37.810 12.253 2.221 1.00 1.23 H new ATOM 0 HD2 ARG A 136 38.333 14.008 0.743 1.00 1.96 H new ATOM 0 HD3 ARG A 136 37.301 15.155 1.574 1.00 1.96 H new ATOM 0 HE ARG A 136 39.544 14.200 3.205 1.00 2.82 H new ATOM 0 HH11 ARG A 136 38.421 16.557 0.832 1.00 3.90 H new ATOM 0 HH12 ARG A 136 39.652 17.750 1.259 1.00 3.90 H new ATOM 0 HH21 ARG A 136 41.125 15.737 3.750 1.00 4.60 H new ATOM 0 HH22 ARG A 136 41.177 17.288 2.904 1.00 4.60 H new ATOM 1517 N ASP A 137 35.918 11.343 4.563 1.00 0.19 N ATOM 1518 CA ASP A 137 36.671 10.698 5.633 1.00 0.26 C ATOM 1519 C ASP A 137 36.059 9.351 6.002 1.00 0.29 C ATOM 1520 O ASP A 137 35.386 9.223 7.025 1.00 0.57 O ATOM 1521 CB ASP A 137 36.724 11.604 6.865 1.00 0.33 C ATOM 1522 CG ASP A 137 37.452 12.905 6.591 1.00 1.32 C ATOM 1523 OD1 ASP A 137 38.109 13.007 5.534 1.00 2.10 O ATOM 1524 OD2 ASP A 137 37.365 13.823 7.434 1.00 2.04 O ATOM 0 H ASP A 137 35.303 12.096 4.873 1.00 0.19 H new ATOM 0 HA ASP A 137 37.685 10.525 5.273 1.00 0.26 H new ATOM 0 HB2 ASP A 137 35.709 11.821 7.198 1.00 0.33 H new ATOM 0 HB3 ASP A 137 37.220 11.077 7.680 1.00 0.33 H new ATOM 1529 N GLY A 138 36.299 8.348 5.163 1.00 0.13 N ATOM 1530 CA GLY A 138 35.768 7.022 5.418 1.00 0.14 C ATOM 1531 C GLY A 138 34.266 7.024 5.621 1.00 0.12 C ATOM 1532 O GLY A 138 33.587 7.989 5.269 1.00 0.15 O ATOM 0 H GLY A 138 36.852 8.431 4.310 1.00 0.13 H new ATOM 0 HA2 GLY A 138 36.017 6.368 4.582 1.00 0.14 H new ATOM 0 HA3 GLY A 138 36.250 6.606 6.303 1.00 0.14 H new ATOM 1536 N VAL A 139 33.746 5.942 6.191 1.00 0.13 N ATOM 1537 CA VAL A 139 32.316 5.824 6.441 1.00 0.12 C ATOM 1538 C VAL A 139 32.044 5.232 7.819 1.00 0.13 C ATOM 1539 O VAL A 139 32.640 4.226 8.204 1.00 0.25 O ATOM 1540 CB VAL A 139 31.626 4.950 5.377 1.00 0.18 C ATOM 1541 CG1 VAL A 139 30.115 5.005 5.542 1.00 1.38 C ATOM 1542 CG2 VAL A 139 32.033 5.390 3.979 1.00 1.42 C ATOM 0 H VAL A 139 34.294 5.135 6.488 1.00 0.13 H new ATOM 0 HA VAL A 139 31.906 6.833 6.393 1.00 0.12 H new ATOM 0 HB VAL A 139 31.947 3.918 5.515 1.00 0.18 H new ATOM 0 HG11 VAL A 139 29.643 4.382 4.782 1.00 1.38 H new ATOM 0 HG12 VAL A 139 29.844 4.638 6.532 1.00 1.38 H new ATOM 0 HG13 VAL A 139 29.774 6.034 5.430 1.00 1.38 H new ATOM 0 HG21 VAL A 139 31.536 4.761 3.240 1.00 1.42 H new ATOM 0 HG22 VAL A 139 31.742 6.429 3.826 1.00 1.42 H new ATOM 0 HG23 VAL A 139 33.113 5.295 3.868 1.00 1.42 H new ATOM 1552 N ASN A 140 31.138 5.865 8.556 1.00 0.14 N ATOM 1553 CA ASN A 140 30.780 5.406 9.892 1.00 0.20 C ATOM 1554 C ASN A 140 29.335 5.767 10.216 1.00 0.18 C ATOM 1555 O ASN A 140 28.870 6.856 9.878 1.00 0.26 O ATOM 1556 CB ASN A 140 31.717 6.019 10.935 1.00 0.30 C ATOM 1557 CG ASN A 140 31.472 7.504 11.127 1.00 0.78 C ATOM 1558 OD1 ASN A 140 31.163 8.220 10.176 1.00 1.88 O ATOM 1559 ND2 ASN A 140 31.609 7.975 12.361 1.00 0.69 N ATOM 0 H ASN A 140 30.637 6.699 8.249 1.00 0.14 H new ATOM 0 HA ASN A 140 30.883 4.321 9.918 1.00 0.20 H new ATOM 0 HB2 ASN A 140 31.584 5.505 11.887 1.00 0.30 H new ATOM 0 HB3 ASN A 140 32.751 5.860 10.629 1.00 0.30 H new ATOM 0 HD21 ASN A 140 31.456 8.966 12.549 1.00 0.69 H new ATOM 0 HD22 ASN A 140 31.867 7.346 13.121 1.00 0.69 H new ATOM 1566 N TRP A 141 28.633 4.844 10.871 1.00 0.19 N ATOM 1567 CA TRP A 141 27.236 5.054 11.247 1.00 0.19 C ATOM 1568 C TRP A 141 26.956 6.529 11.517 1.00 0.19 C ATOM 1569 O TRP A 141 25.981 7.088 11.015 1.00 0.31 O ATOM 1570 CB TRP A 141 26.890 4.225 12.486 1.00 0.23 C ATOM 1571 CG TRP A 141 28.094 3.675 13.186 1.00 0.79 C ATOM 1572 CD1 TRP A 141 28.857 4.307 14.124 1.00 1.32 C ATOM 1573 CD2 TRP A 141 28.677 2.381 12.996 1.00 1.41 C ATOM 1574 NE1 TRP A 141 29.879 3.484 14.532 1.00 1.92 N ATOM 1575 CE2 TRP A 141 29.790 2.296 13.854 1.00 1.96 C ATOM 1576 CE3 TRP A 141 28.366 1.286 12.186 1.00 1.83 C ATOM 1577 CZ2 TRP A 141 30.591 1.159 13.924 1.00 2.65 C ATOM 1578 CZ3 TRP A 141 29.161 0.158 12.256 1.00 2.56 C ATOM 1579 CH2 TRP A 141 30.262 0.102 13.120 1.00 2.88 C ATOM 0 H TRP A 141 29.011 3.940 11.153 1.00 0.19 H new ATOM 0 HA TRP A 141 26.612 4.732 10.413 1.00 0.19 H new ATOM 0 HB2 TRP A 141 26.325 4.844 13.183 1.00 0.23 H new ATOM 0 HB3 TRP A 141 26.240 3.400 12.193 1.00 0.23 H new ATOM 0 HD1 TRP A 141 28.683 5.307 14.492 1.00 1.32 H new ATOM 0 HE1 TRP A 141 30.588 3.719 15.226 1.00 1.92 H new ATOM 0 HE3 TRP A 141 27.519 1.321 11.517 1.00 1.83 H new ATOM 0 HZ2 TRP A 141 31.441 1.113 14.589 1.00 2.65 H new ATOM 0 HZ3 TRP A 141 28.930 -0.694 11.634 1.00 2.56 H new ATOM 0 HH2 TRP A 141 30.864 -0.794 13.152 1.00 2.88 H new ATOM 1590 N GLY A 142 27.820 7.154 12.308 1.00 0.16 N ATOM 1591 CA GLY A 142 27.648 8.558 12.625 1.00 0.21 C ATOM 1592 C GLY A 142 27.362 9.396 11.395 1.00 0.20 C ATOM 1593 O GLY A 142 26.292 9.994 11.281 1.00 0.31 O ATOM 0 H GLY A 142 28.635 6.714 12.735 1.00 0.16 H new ATOM 0 HA2 GLY A 142 26.829 8.670 13.336 1.00 0.21 H new ATOM 0 HA3 GLY A 142 28.548 8.930 13.114 1.00 0.21 H new ATOM 1597 N ARG A 143 28.316 9.436 10.471 1.00 0.23 N ATOM 1598 CA ARG A 143 28.154 10.205 9.244 1.00 0.21 C ATOM 1599 C ARG A 143 26.917 9.746 8.479 1.00 0.19 C ATOM 1600 O ARG A 143 26.241 10.549 7.835 1.00 0.23 O ATOM 1601 CB ARG A 143 29.395 10.070 8.361 1.00 0.23 C ATOM 1602 CG ARG A 143 30.157 11.373 8.180 1.00 0.39 C ATOM 1603 CD ARG A 143 31.609 11.235 8.610 1.00 0.50 C ATOM 1604 NE ARG A 143 32.264 12.534 8.755 1.00 0.71 N ATOM 1605 CZ ARG A 143 33.293 12.753 9.569 1.00 0.91 C ATOM 1606 NH1 ARG A 143 33.784 11.764 10.303 1.00 0.97 N ATOM 1607 NH2 ARG A 143 33.833 13.962 9.649 1.00 1.14 N ATOM 0 H ARG A 143 29.207 8.946 10.549 1.00 0.23 H new ATOM 0 HA ARG A 143 28.026 11.253 9.515 1.00 0.21 H new ATOM 0 HB2 ARG A 143 30.062 9.326 8.797 1.00 0.23 H new ATOM 0 HB3 ARG A 143 29.095 9.695 7.382 1.00 0.23 H new ATOM 0 HG2 ARG A 143 30.114 11.679 7.135 1.00 0.39 H new ATOM 0 HG3 ARG A 143 29.677 12.160 8.762 1.00 0.39 H new ATOM 0 HD2 ARG A 143 31.657 10.697 9.557 1.00 0.50 H new ATOM 0 HD3 ARG A 143 32.149 10.637 7.876 1.00 0.50 H new ATOM 0 HE ARG A 143 31.913 13.315 8.202 1.00 0.71 H new ATOM 0 HH11 ARG A 143 33.373 10.832 10.244 1.00 0.97 H new ATOM 0 HH12 ARG A 143 34.573 11.935 10.926 1.00 0.97 H new ATOM 0 HH21 ARG A 143 33.459 14.726 9.086 1.00 1.14 H new ATOM 0 HH22 ARG A 143 34.622 14.128 10.274 1.00 1.14 H new ATOM 1621 N ILE A 144 26.621 8.452 8.557 1.00 0.19 N ATOM 1622 CA ILE A 144 25.461 7.897 7.873 1.00 0.20 C ATOM 1623 C ILE A 144 24.190 8.624 8.292 1.00 0.25 C ATOM 1624 O ILE A 144 23.544 9.280 7.476 1.00 0.50 O ATOM 1625 CB ILE A 144 25.305 6.389 8.149 1.00 0.26 C ATOM 1626 CG1 ILE A 144 26.461 5.613 7.516 1.00 1.10 C ATOM 1627 CG2 ILE A 144 23.970 5.888 7.617 1.00 1.16 C ATOM 1628 CD1 ILE A 144 26.285 4.112 7.577 1.00 1.71 C ATOM 0 H ILE A 144 27.167 7.771 9.085 1.00 0.19 H new ATOM 0 HA ILE A 144 25.622 8.036 6.804 1.00 0.20 H new ATOM 0 HB ILE A 144 25.328 6.227 9.227 1.00 0.26 H new ATOM 0 HG12 ILE A 144 26.565 5.917 6.474 1.00 1.10 H new ATOM 0 HG13 ILE A 144 27.389 5.883 8.021 1.00 1.10 H new ATOM 0 HG21 ILE A 144 23.875 4.821 7.820 1.00 1.16 H new ATOM 0 HG22 ILE A 144 23.158 6.424 8.108 1.00 1.16 H new ATOM 0 HG23 ILE A 144 23.920 6.059 6.542 1.00 1.16 H new ATOM 0 HD11 ILE A 144 27.142 3.626 7.110 1.00 1.71 H new ATOM 0 HD12 ILE A 144 26.212 3.796 8.618 1.00 1.71 H new ATOM 0 HD13 ILE A 144 25.375 3.831 7.047 1.00 1.71 H new ATOM 1640 N VAL A 145 23.841 8.519 9.570 1.00 0.16 N ATOM 1641 CA VAL A 145 22.653 9.187 10.081 1.00 0.19 C ATOM 1642 C VAL A 145 22.782 10.696 9.919 1.00 0.18 C ATOM 1643 O VAL A 145 21.876 11.353 9.408 1.00 0.22 O ATOM 1644 CB VAL A 145 22.400 8.852 11.561 1.00 0.24 C ATOM 1645 CG1 VAL A 145 21.049 9.394 12.004 1.00 1.07 C ATOM 1646 CG2 VAL A 145 22.483 7.351 11.789 1.00 1.00 C ATOM 0 H VAL A 145 24.360 7.982 10.265 1.00 0.16 H new ATOM 0 HA VAL A 145 21.805 8.825 9.500 1.00 0.19 H new ATOM 0 HB VAL A 145 23.173 9.330 12.163 1.00 0.24 H new ATOM 0 HG11 VAL A 145 20.885 9.149 13.053 1.00 1.07 H new ATOM 0 HG12 VAL A 145 21.032 10.476 11.877 1.00 1.07 H new ATOM 0 HG13 VAL A 145 20.261 8.946 11.399 1.00 1.07 H new ATOM 0 HG21 VAL A 145 22.302 7.132 12.841 1.00 1.00 H new ATOM 0 HG22 VAL A 145 21.732 6.848 11.179 1.00 1.00 H new ATOM 0 HG23 VAL A 145 23.475 6.995 11.510 1.00 1.00 H new ATOM 1656 N ALA A 146 23.925 11.240 10.335 1.00 0.19 N ATOM 1657 CA ALA A 146 24.167 12.671 10.206 1.00 0.22 C ATOM 1658 C ALA A 146 23.878 13.109 8.777 1.00 0.22 C ATOM 1659 O ALA A 146 23.492 14.251 8.526 1.00 0.28 O ATOM 1660 CB ALA A 146 25.603 13.014 10.590 1.00 0.26 C ATOM 0 H ALA A 146 24.689 10.715 10.760 1.00 0.19 H new ATOM 0 HA ALA A 146 23.502 13.204 10.886 1.00 0.22 H new ATOM 0 HB1 ALA A 146 25.761 14.087 10.486 1.00 0.26 H new ATOM 0 HB2 ALA A 146 25.784 12.719 11.624 1.00 0.26 H new ATOM 0 HB3 ALA A 146 26.292 12.481 9.935 1.00 0.26 H new ATOM 1666 N PHE A 147 24.063 12.177 7.846 1.00 0.18 N ATOM 1667 CA PHE A 147 23.822 12.436 6.432 1.00 0.20 C ATOM 1668 C PHE A 147 22.329 12.418 6.124 1.00 0.18 C ATOM 1669 O PHE A 147 21.780 13.397 5.621 1.00 0.25 O ATOM 1670 CB PHE A 147 24.550 11.397 5.576 1.00 0.23 C ATOM 1671 CG PHE A 147 23.745 10.898 4.409 1.00 0.40 C ATOM 1672 CD1 PHE A 147 23.397 11.750 3.374 1.00 1.15 C ATOM 1673 CD2 PHE A 147 23.342 9.573 4.346 1.00 1.29 C ATOM 1674 CE1 PHE A 147 22.662 11.291 2.298 1.00 1.29 C ATOM 1675 CE2 PHE A 147 22.606 9.109 3.273 1.00 1.48 C ATOM 1676 CZ PHE A 147 22.266 9.969 2.247 1.00 1.01 C ATOM 0 H PHE A 147 24.381 11.229 8.049 1.00 0.18 H new ATOM 0 HA PHE A 147 24.208 13.427 6.194 1.00 0.20 H new ATOM 0 HB2 PHE A 147 25.478 11.832 5.205 1.00 0.23 H new ATOM 0 HB3 PHE A 147 24.824 10.550 6.205 1.00 0.23 H new ATOM 0 HD1 PHE A 147 23.704 12.785 3.408 1.00 1.15 H new ATOM 0 HD2 PHE A 147 23.606 8.896 5.145 1.00 1.29 H new ATOM 0 HE1 PHE A 147 22.397 11.966 1.497 1.00 1.29 H new ATOM 0 HE2 PHE A 147 22.297 8.075 3.236 1.00 1.48 H new ATOM 0 HZ PHE A 147 21.692 9.608 1.407 1.00 1.01 H new ATOM 1686 N PHE A 148 21.673 11.302 6.427 1.00 0.14 N ATOM 1687 CA PHE A 148 20.242 11.173 6.178 1.00 0.14 C ATOM 1688 C PHE A 148 19.530 12.490 6.456 1.00 0.12 C ATOM 1689 O PHE A 148 18.758 12.978 5.631 1.00 0.17 O ATOM 1690 CB PHE A 148 19.644 10.069 7.050 1.00 0.17 C ATOM 1691 CG PHE A 148 19.721 8.706 6.428 1.00 0.35 C ATOM 1692 CD1 PHE A 148 20.946 8.145 6.109 1.00 1.08 C ATOM 1693 CD2 PHE A 148 18.568 7.986 6.163 1.00 1.36 C ATOM 1694 CE1 PHE A 148 21.020 6.890 5.536 1.00 1.16 C ATOM 1695 CE2 PHE A 148 18.635 6.731 5.590 1.00 1.63 C ATOM 1696 CZ PHE A 148 19.863 6.182 5.276 1.00 1.03 C ATOM 0 H PHE A 148 22.107 10.478 6.843 1.00 0.14 H new ATOM 0 HA PHE A 148 20.103 10.911 5.129 1.00 0.14 H new ATOM 0 HB2 PHE A 148 20.164 10.052 8.008 1.00 0.17 H new ATOM 0 HB3 PHE A 148 18.601 10.306 7.258 1.00 0.17 H new ATOM 0 HD1 PHE A 148 21.854 8.695 6.310 1.00 1.08 H new ATOM 0 HD2 PHE A 148 17.605 8.411 6.407 1.00 1.36 H new ATOM 0 HE1 PHE A 148 21.981 6.463 5.292 1.00 1.16 H new ATOM 0 HE2 PHE A 148 17.729 6.180 5.388 1.00 1.63 H new ATOM 0 HZ PHE A 148 19.918 5.201 4.828 1.00 1.03 H new ATOM 1706 N SER A 149 19.798 13.061 7.625 1.00 0.08 N ATOM 1707 CA SER A 149 19.186 14.323 8.015 1.00 0.09 C ATOM 1708 C SER A 149 19.382 15.377 6.931 1.00 0.09 C ATOM 1709 O SER A 149 18.431 16.043 6.524 1.00 0.14 O ATOM 1710 CB SER A 149 19.774 14.811 9.339 1.00 0.12 C ATOM 1711 OG SER A 149 18.770 15.373 10.166 1.00 1.34 O ATOM 0 H SER A 149 20.435 12.669 8.318 1.00 0.08 H new ATOM 0 HA SER A 149 18.116 14.158 8.144 1.00 0.09 H new ATOM 0 HB2 SER A 149 20.253 13.980 9.856 1.00 0.12 H new ATOM 0 HB3 SER A 149 20.548 15.554 9.145 1.00 0.12 H new ATOM 0 HG SER A 149 19.153 15.594 11.041 1.00 1.34 H new ATOM 1717 N PHE A 150 20.620 15.521 6.462 1.00 0.07 N ATOM 1718 CA PHE A 150 20.925 16.493 5.419 1.00 0.08 C ATOM 1719 C PHE A 150 19.794 16.541 4.401 1.00 0.07 C ATOM 1720 O PHE A 150 19.258 17.607 4.101 1.00 0.11 O ATOM 1721 CB PHE A 150 22.243 16.141 4.723 1.00 0.10 C ATOM 1722 CG PHE A 150 22.465 16.898 3.444 1.00 0.51 C ATOM 1723 CD1 PHE A 150 22.042 18.210 3.320 1.00 1.19 C ATOM 1724 CD2 PHE A 150 23.096 16.295 2.368 1.00 1.50 C ATOM 1725 CE1 PHE A 150 22.243 18.910 2.145 1.00 1.49 C ATOM 1726 CE2 PHE A 150 23.300 16.989 1.190 1.00 1.90 C ATOM 1727 CZ PHE A 150 22.872 18.298 1.079 1.00 1.55 C ATOM 0 H PHE A 150 21.422 14.980 6.786 1.00 0.07 H new ATOM 0 HA PHE A 150 21.029 17.474 5.882 1.00 0.08 H new ATOM 0 HB2 PHE A 150 23.070 16.343 5.404 1.00 0.10 H new ATOM 0 HB3 PHE A 150 22.259 15.072 4.511 1.00 0.10 H new ATOM 0 HD1 PHE A 150 21.549 18.693 4.151 1.00 1.19 H new ATOM 0 HD2 PHE A 150 23.432 15.272 2.450 1.00 1.50 H new ATOM 0 HE1 PHE A 150 21.909 19.934 2.061 1.00 1.49 H new ATOM 0 HE2 PHE A 150 23.793 16.509 0.358 1.00 1.90 H new ATOM 0 HZ PHE A 150 23.029 18.842 0.159 1.00 1.55 H new ATOM 1737 N GLY A 151 19.427 15.374 3.885 1.00 0.06 N ATOM 1738 CA GLY A 151 18.352 15.299 2.917 1.00 0.07 C ATOM 1739 C GLY A 151 17.040 15.797 3.487 1.00 0.07 C ATOM 1740 O GLY A 151 16.378 16.646 2.890 1.00 0.08 O ATOM 0 H GLY A 151 19.855 14.479 4.120 1.00 0.06 H new ATOM 0 HA2 GLY A 151 18.613 15.889 2.039 1.00 0.07 H new ATOM 0 HA3 GLY A 151 18.235 14.268 2.585 1.00 0.07 H new ATOM 1744 N GLY A 152 16.665 15.274 4.650 1.00 0.08 N ATOM 1745 CA GLY A 152 15.428 15.689 5.282 1.00 0.10 C ATOM 1746 C GLY A 152 15.260 17.194 5.265 1.00 0.09 C ATOM 1747 O GLY A 152 14.176 17.701 4.978 1.00 0.11 O ATOM 0 H GLY A 152 17.195 14.571 5.165 1.00 0.08 H new ATOM 0 HA2 GLY A 152 14.585 15.224 4.770 1.00 0.10 H new ATOM 0 HA3 GLY A 152 15.410 15.334 6.312 1.00 0.10 H new ATOM 1751 N ALA A 153 16.338 17.910 5.566 1.00 0.08 N ATOM 1752 CA ALA A 153 16.305 19.364 5.575 1.00 0.09 C ATOM 1753 C ALA A 153 15.988 19.902 4.186 1.00 0.09 C ATOM 1754 O ALA A 153 15.222 20.854 4.037 1.00 0.12 O ATOM 1755 CB ALA A 153 17.629 19.922 6.074 1.00 0.11 C ATOM 0 H ALA A 153 17.243 17.506 5.806 1.00 0.08 H new ATOM 0 HA ALA A 153 15.516 19.686 6.255 1.00 0.09 H new ATOM 0 HB1 ALA A 153 17.588 21.011 6.075 1.00 0.11 H new ATOM 0 HB2 ALA A 153 17.815 19.565 7.087 1.00 0.11 H new ATOM 0 HB3 ALA A 153 18.434 19.590 5.418 1.00 0.11 H new ATOM 1761 N LEU A 154 16.575 19.278 3.168 1.00 0.07 N ATOM 1762 CA LEU A 154 16.346 19.689 1.789 1.00 0.08 C ATOM 1763 C LEU A 154 14.854 19.699 1.482 1.00 0.08 C ATOM 1764 O LEU A 154 14.343 20.628 0.857 1.00 0.13 O ATOM 1765 CB LEU A 154 17.071 18.747 0.824 1.00 0.09 C ATOM 1766 CG LEU A 154 18.531 19.105 0.533 1.00 0.61 C ATOM 1767 CD1 LEU A 154 18.626 20.061 -0.647 1.00 1.34 C ATOM 1768 CD2 LEU A 154 19.189 19.707 1.765 1.00 1.78 C ATOM 0 H LEU A 154 17.211 18.488 3.273 1.00 0.07 H new ATOM 0 HA LEU A 154 16.741 20.697 1.659 1.00 0.08 H new ATOM 0 HB2 LEU A 154 17.036 17.737 1.233 1.00 0.09 H new ATOM 0 HB3 LEU A 154 16.524 18.728 -0.119 1.00 0.09 H new ATOM 0 HG LEU A 154 19.062 18.189 0.273 1.00 0.61 H new ATOM 0 HD11 LEU A 154 19.672 20.302 -0.837 1.00 1.34 H new ATOM 0 HD12 LEU A 154 18.196 19.591 -1.532 1.00 1.34 H new ATOM 0 HD13 LEU A 154 18.078 20.975 -0.419 1.00 1.34 H new ATOM 0 HD21 LEU A 154 20.226 19.955 1.539 1.00 1.78 H new ATOM 0 HD22 LEU A 154 18.655 20.611 2.058 1.00 1.78 H new ATOM 0 HD23 LEU A 154 19.158 18.987 2.583 1.00 1.78 H new ATOM 1780 N CYS A 155 14.158 18.659 1.935 1.00 0.06 N ATOM 1781 CA CYS A 155 12.721 18.550 1.718 1.00 0.08 C ATOM 1782 C CYS A 155 11.989 19.667 2.450 1.00 0.09 C ATOM 1783 O CYS A 155 11.165 20.370 1.866 1.00 0.14 O ATOM 1784 CB CYS A 155 12.208 17.190 2.194 1.00 0.10 C ATOM 1785 SG CYS A 155 13.001 15.778 1.386 1.00 1.46 S ATOM 0 H CYS A 155 14.567 17.882 2.454 1.00 0.06 H new ATOM 0 HA CYS A 155 12.528 18.642 0.649 1.00 0.08 H new ATOM 0 HB2 CYS A 155 12.361 17.112 3.270 1.00 0.10 H new ATOM 0 HB3 CYS A 155 11.133 17.138 2.020 1.00 0.10 H new ATOM 0 HG CYS A 155 12.331 15.456 0.319 1.00 1.46 H new ATOM 1791 N VAL A 156 12.304 19.832 3.731 1.00 0.08 N ATOM 1792 CA VAL A 156 11.683 20.874 4.536 1.00 0.09 C ATOM 1793 C VAL A 156 11.843 22.228 3.859 1.00 0.08 C ATOM 1794 O VAL A 156 10.967 23.089 3.948 1.00 0.11 O ATOM 1795 CB VAL A 156 12.294 20.937 5.949 1.00 0.11 C ATOM 1796 CG1 VAL A 156 11.830 22.189 6.678 1.00 1.11 C ATOM 1797 CG2 VAL A 156 11.938 19.687 6.740 1.00 1.12 C ATOM 0 H VAL A 156 12.984 19.259 4.231 1.00 0.08 H new ATOM 0 HA VAL A 156 10.625 20.629 4.628 1.00 0.09 H new ATOM 0 HB VAL A 156 13.379 20.983 5.854 1.00 0.11 H new ATOM 0 HG11 VAL A 156 12.272 22.215 7.674 1.00 1.11 H new ATOM 0 HG12 VAL A 156 12.141 23.072 6.119 1.00 1.11 H new ATOM 0 HG13 VAL A 156 10.743 22.178 6.764 1.00 1.11 H new ATOM 0 HG21 VAL A 156 12.378 19.749 7.735 1.00 1.12 H new ATOM 0 HG22 VAL A 156 10.854 19.607 6.826 1.00 1.12 H new ATOM 0 HG23 VAL A 156 12.326 18.808 6.226 1.00 1.12 H new ATOM 1807 N GLU A 157 12.968 22.400 3.172 1.00 0.07 N ATOM 1808 CA GLU A 157 13.250 23.641 2.463 1.00 0.08 C ATOM 1809 C GLU A 157 12.416 23.727 1.190 1.00 0.08 C ATOM 1810 O GLU A 157 11.921 24.795 0.831 1.00 0.11 O ATOM 1811 CB GLU A 157 14.739 23.730 2.120 1.00 0.10 C ATOM 1812 CG GLU A 157 15.307 25.135 2.233 1.00 1.15 C ATOM 1813 CD GLU A 157 16.795 25.188 1.945 1.00 1.81 C ATOM 1814 OE1 GLU A 157 17.208 24.707 0.869 1.00 2.03 O ATOM 1815 OE2 GLU A 157 17.547 25.710 2.795 1.00 2.80 O ATOM 0 H GLU A 157 13.700 21.694 3.092 1.00 0.07 H new ATOM 0 HA GLU A 157 12.987 24.476 3.112 1.00 0.08 H new ATOM 0 HB2 GLU A 157 15.296 23.068 2.783 1.00 0.10 H new ATOM 0 HB3 GLU A 157 14.891 23.366 1.104 1.00 0.10 H new ATOM 0 HG2 GLU A 157 14.783 25.792 1.539 1.00 1.15 H new ATOM 0 HG3 GLU A 157 15.121 25.518 3.236 1.00 1.15 H new ATOM 1822 N SER A 158 12.260 22.592 0.515 1.00 0.08 N ATOM 1823 CA SER A 158 11.478 22.537 -0.713 1.00 0.09 C ATOM 1824 C SER A 158 10.037 22.952 -0.442 1.00 0.10 C ATOM 1825 O SER A 158 9.538 23.917 -1.020 1.00 0.18 O ATOM 1826 CB SER A 158 11.518 21.129 -1.311 1.00 0.10 C ATOM 1827 OG SER A 158 12.420 21.066 -2.402 1.00 1.28 O ATOM 0 H SER A 158 12.665 21.700 0.798 1.00 0.08 H new ATOM 0 HA SER A 158 11.914 23.232 -1.431 1.00 0.09 H new ATOM 0 HB2 SER A 158 11.817 20.413 -0.545 1.00 0.10 H new ATOM 0 HB3 SER A 158 10.520 20.842 -1.643 1.00 0.10 H new ATOM 0 HG SER A 158 12.916 20.221 -2.368 1.00 1.28 H new ATOM 1833 N VAL A 159 9.376 22.220 0.450 1.00 0.07 N ATOM 1834 CA VAL A 159 7.994 22.524 0.804 1.00 0.07 C ATOM 1835 C VAL A 159 7.851 23.992 1.186 1.00 0.07 C ATOM 1836 O VAL A 159 6.946 24.681 0.717 1.00 0.12 O ATOM 1837 CB VAL A 159 7.484 21.651 1.971 1.00 0.08 C ATOM 1838 CG1 VAL A 159 6.649 20.495 1.445 1.00 1.35 C ATOM 1839 CG2 VAL A 159 8.639 21.141 2.821 1.00 1.32 C ATOM 0 H VAL A 159 9.772 21.417 0.938 1.00 0.07 H new ATOM 0 HA VAL A 159 7.390 22.305 -0.077 1.00 0.07 H new ATOM 0 HB VAL A 159 6.852 22.271 2.607 1.00 0.08 H new ATOM 0 HG11 VAL A 159 6.298 19.890 2.281 1.00 1.35 H new ATOM 0 HG12 VAL A 159 5.793 20.885 0.895 1.00 1.35 H new ATOM 0 HG13 VAL A 159 7.257 19.879 0.782 1.00 1.35 H new ATOM 0 HG21 VAL A 159 8.249 20.529 3.635 1.00 1.32 H new ATOM 0 HG22 VAL A 159 9.308 20.541 2.204 1.00 1.32 H new ATOM 0 HG23 VAL A 159 9.188 21.987 3.234 1.00 1.32 H new ATOM 1849 N ASP A 160 8.757 24.468 2.036 1.00 0.06 N ATOM 1850 CA ASP A 160 8.734 25.858 2.471 1.00 0.07 C ATOM 1851 C ASP A 160 8.630 26.786 1.266 1.00 0.07 C ATOM 1852 O ASP A 160 8.082 27.884 1.358 1.00 0.08 O ATOM 1853 CB ASP A 160 9.991 26.186 3.279 1.00 0.09 C ATOM 1854 CG ASP A 160 9.708 27.135 4.427 1.00 1.24 C ATOM 1855 OD1 ASP A 160 9.438 28.325 4.161 1.00 2.06 O ATOM 1856 OD2 ASP A 160 9.756 26.689 5.593 1.00 2.04 O ATOM 0 H ASP A 160 9.513 23.912 2.435 1.00 0.06 H new ATOM 0 HA ASP A 160 7.862 26.007 3.107 1.00 0.07 H new ATOM 0 HB2 ASP A 160 10.419 25.263 3.671 1.00 0.09 H new ATOM 0 HB3 ASP A 160 10.738 26.629 2.620 1.00 0.09 H new ATOM 1861 N LYS A 161 9.156 26.328 0.135 1.00 0.09 N ATOM 1862 CA LYS A 161 9.120 27.107 -1.097 1.00 0.10 C ATOM 1863 C LYS A 161 8.028 26.589 -2.027 1.00 0.13 C ATOM 1864 O LYS A 161 8.065 26.821 -3.236 1.00 0.31 O ATOM 1865 CB LYS A 161 10.477 27.053 -1.802 1.00 0.10 C ATOM 1866 CG LYS A 161 11.318 28.304 -1.600 1.00 1.12 C ATOM 1867 CD LYS A 161 11.698 28.943 -2.927 1.00 1.76 C ATOM 1868 CE LYS A 161 13.203 28.931 -3.142 1.00 2.21 C ATOM 1869 NZ LYS A 161 13.862 30.123 -2.539 1.00 2.75 N ATOM 0 H LYS A 161 9.613 25.420 0.046 1.00 0.09 H new ATOM 0 HA LYS A 161 8.897 28.143 -0.840 1.00 0.10 H new ATOM 0 HB2 LYS A 161 11.032 26.189 -1.437 1.00 0.10 H new ATOM 0 HB3 LYS A 161 10.317 26.901 -2.869 1.00 0.10 H new ATOM 0 HG2 LYS A 161 10.764 29.022 -0.995 1.00 1.12 H new ATOM 0 HG3 LYS A 161 12.222 28.050 -1.046 1.00 1.12 H new ATOM 0 HD2 LYS A 161 11.209 28.409 -3.742 1.00 1.76 H new ATOM 0 HD3 LYS A 161 11.334 29.970 -2.955 1.00 1.76 H new ATOM 0 HE2 LYS A 161 13.624 28.025 -2.707 1.00 2.21 H new ATOM 0 HE3 LYS A 161 13.416 28.900 -4.210 1.00 2.21 H new ATOM 0 HZ1 LYS A 161 14.887 30.076 -2.708 1.00 2.75 H new ATOM 0 HZ2 LYS A 161 13.479 30.988 -2.972 1.00 2.75 H new ATOM 0 HZ3 LYS A 161 13.681 30.139 -1.515 1.00 2.75 H new ATOM 1883 N GLU A 162 7.056 25.888 -1.453 1.00 0.00 N ATOM 1884 CA GLU A 162 5.947 25.335 -2.223 1.00 0.00 C ATOM 1885 C GLU A 162 6.455 24.503 -3.396 1.00 0.00 C ATOM 1886 O GLU A 162 5.913 24.573 -4.499 1.00 0.00 O ATOM 1887 CB GLU A 162 5.023 26.487 -2.707 1.00 0.00 C ATOM 1888 CG GLU A 162 5.420 27.945 -2.298 1.00 0.00 C ATOM 1889 CD GLU A 162 4.435 29.077 -2.599 1.00 0.00 C ATOM 1890 OE1 GLU A 162 4.077 29.365 -3.734 1.00 0.00 O ATOM 1891 OE2 GLU A 162 3.996 29.731 -1.488 1.00 0.00 O ATOM 0 H GLU A 162 7.014 25.689 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 162 5.369 24.669 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 162 4.972 26.444 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 162 4.018 26.293 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 162 5.613 27.948 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 162 6.362 28.184 -2.792 1.00 0.00 H new ATOM 1899 N MET A 163 7.496 23.716 -3.153 1.00 0.10 N ATOM 1900 CA MET A 163 8.071 22.874 -4.194 1.00 0.11 C ATOM 1901 C MET A 163 8.181 21.428 -3.727 1.00 0.13 C ATOM 1902 O MET A 163 9.147 20.735 -4.047 1.00 0.29 O ATOM 1903 CB MET A 163 9.448 23.402 -4.600 1.00 0.11 C ATOM 1904 CG MET A 163 9.493 24.912 -4.768 0.50 1.27 C ATOM 1905 SD MET A 163 10.419 25.422 -6.229 0.50 2.01 S ATOM 1906 CE MET A 163 11.837 24.333 -6.128 0.50 3.05 C ATOM 0 H MET A 163 7.958 23.643 -2.247 1.00 0.10 H new ATOM 0 HA MET A 163 7.409 22.904 -5.059 1.00 0.11 H new ATOM 0 HB2 MET A 163 10.178 23.106 -3.847 1.00 0.11 H new ATOM 0 HB3 MET A 163 9.747 22.931 -5.536 1.00 0.11 H new ATOM 0 HG2 MET A 163 8.475 25.297 -4.835 0.50 1.27 H new ATOM 0 HG3 MET A 163 9.945 25.359 -3.882 0.50 1.27 H new ATOM 0 HE1 MET A 163 12.751 24.914 -6.247 0.50 3.05 H new ATOM 0 HE2 MET A 163 11.846 23.837 -5.157 0.50 3.05 H new ATOM 0 HE3 MET A 163 11.778 23.584 -6.918 0.50 3.05 H new ATOM 1916 N GLN A 164 7.186 20.976 -2.968 1.00 0.09 N ATOM 1917 CA GLN A 164 7.173 19.609 -2.459 1.00 0.11 C ATOM 1918 C GLN A 164 7.487 18.614 -3.571 1.00 0.08 C ATOM 1919 O GLN A 164 8.039 17.544 -3.321 1.00 0.17 O ATOM 1920 CB GLN A 164 5.817 19.274 -1.830 1.00 0.17 C ATOM 1921 CG GLN A 164 4.671 20.131 -2.341 1.00 1.27 C ATOM 1922 CD GLN A 164 4.614 20.196 -3.855 1.00 2.23 C ATOM 1923 OE1 GLN A 164 4.618 21.279 -4.441 1.00 3.03 O ATOM 1924 NE2 GLN A 164 4.556 19.035 -4.498 1.00 2.85 N ATOM 0 H GLN A 164 6.379 21.536 -2.693 1.00 0.09 H new ATOM 0 HA GLN A 164 7.943 19.533 -1.692 1.00 0.11 H new ATOM 0 HB2 GLN A 164 5.588 18.226 -2.023 1.00 0.17 H new ATOM 0 HB3 GLN A 164 5.891 19.391 -0.749 1.00 0.17 H new ATOM 0 HG2 GLN A 164 3.729 19.733 -1.964 1.00 1.27 H new ATOM 0 HG3 GLN A 164 4.773 21.140 -1.942 1.00 1.27 H new ATOM 0 HE21 GLN A 164 4.555 18.161 -3.973 1.00 2.85 H new ATOM 0 HE22 GLN A 164 4.513 19.018 -5.517 1.00 2.85 H new ATOM 1933 N VAL A 165 7.132 18.975 -4.801 1.00 0.10 N ATOM 1934 CA VAL A 165 7.381 18.111 -5.948 1.00 0.08 C ATOM 1935 C VAL A 165 8.807 17.574 -5.926 1.00 0.09 C ATOM 1936 O VAL A 165 9.080 16.486 -6.433 1.00 0.24 O ATOM 1937 CB VAL A 165 7.148 18.857 -7.275 1.00 0.11 C ATOM 1938 CG1 VAL A 165 8.157 18.411 -8.321 1.00 1.43 C ATOM 1939 CG2 VAL A 165 5.725 18.640 -7.768 1.00 1.38 C ATOM 0 H VAL A 165 6.673 19.857 -5.027 1.00 0.10 H new ATOM 0 HA VAL A 165 6.678 17.281 -5.879 1.00 0.08 H new ATOM 0 HB VAL A 165 7.287 19.924 -7.101 1.00 0.11 H new ATOM 0 HG11 VAL A 165 7.977 18.948 -9.252 1.00 1.43 H new ATOM 0 HG12 VAL A 165 9.166 18.624 -7.968 1.00 1.43 H new ATOM 0 HG13 VAL A 165 8.052 17.340 -8.494 1.00 1.43 H new ATOM 0 HG21 VAL A 165 5.580 19.175 -8.707 1.00 1.38 H new ATOM 0 HG22 VAL A 165 5.553 17.575 -7.927 1.00 1.38 H new ATOM 0 HG23 VAL A 165 5.021 19.014 -7.024 1.00 1.38 H new ATOM 1949 N LEU A 166 9.712 18.346 -5.334 1.00 0.08 N ATOM 1950 CA LEU A 166 11.114 17.955 -5.242 1.00 0.06 C ATOM 1951 C LEU A 166 11.282 16.723 -4.359 1.00 0.07 C ATOM 1952 O LEU A 166 12.028 15.805 -4.697 1.00 0.15 O ATOM 1953 CB LEU A 166 11.949 19.111 -4.688 1.00 0.09 C ATOM 1954 CG LEU A 166 12.543 20.041 -5.747 1.00 1.07 C ATOM 1955 CD1 LEU A 166 13.435 21.091 -5.104 1.00 1.84 C ATOM 1956 CD2 LEU A 166 13.321 19.239 -6.779 1.00 2.00 C ATOM 0 H LEU A 166 9.499 19.249 -4.910 1.00 0.08 H new ATOM 0 HA LEU A 166 11.463 17.708 -6.245 1.00 0.06 H new ATOM 0 HB2 LEU A 166 11.326 19.701 -4.016 1.00 0.09 H new ATOM 0 HB3 LEU A 166 12.762 18.699 -4.090 1.00 0.09 H new ATOM 0 HG LEU A 166 11.724 20.554 -6.251 1.00 1.07 H new ATOM 0 HD11 LEU A 166 13.846 21.741 -5.876 1.00 1.84 H new ATOM 0 HD12 LEU A 166 12.850 21.686 -4.403 1.00 1.84 H new ATOM 0 HD13 LEU A 166 14.249 20.600 -4.571 1.00 1.84 H new ATOM 0 HD21 LEU A 166 13.738 19.915 -7.526 1.00 2.00 H new ATOM 0 HD22 LEU A 166 14.130 18.699 -6.286 1.00 2.00 H new ATOM 0 HD23 LEU A 166 12.654 18.527 -7.265 1.00 2.00 H new ATOM 1968 N VAL A 167 10.586 16.714 -3.226 1.00 0.06 N ATOM 1969 CA VAL A 167 10.657 15.597 -2.290 1.00 0.06 C ATOM 1970 C VAL A 167 10.843 14.273 -3.022 1.00 0.08 C ATOM 1971 O VAL A 167 11.779 13.526 -2.743 1.00 0.17 O ATOM 1972 CB VAL A 167 9.392 15.513 -1.415 1.00 0.07 C ATOM 1973 CG1 VAL A 167 9.502 14.361 -0.428 1.00 1.31 C ATOM 1974 CG2 VAL A 167 9.158 16.828 -0.685 1.00 1.28 C ATOM 0 H VAL A 167 9.966 17.469 -2.934 1.00 0.06 H new ATOM 0 HA VAL A 167 11.521 15.779 -1.650 1.00 0.06 H new ATOM 0 HB VAL A 167 8.536 15.327 -2.064 1.00 0.07 H new ATOM 0 HG11 VAL A 167 8.600 14.317 0.182 1.00 1.31 H new ATOM 0 HG12 VAL A 167 9.618 13.424 -0.973 1.00 1.31 H new ATOM 0 HG13 VAL A 167 10.368 14.515 0.216 1.00 1.31 H new ATOM 0 HG21 VAL A 167 8.260 16.749 -0.072 1.00 1.28 H new ATOM 0 HG22 VAL A 167 10.014 17.048 -0.047 1.00 1.28 H new ATOM 0 HG23 VAL A 167 9.032 17.630 -1.412 1.00 1.28 H new ATOM 1984 N SER A 168 9.946 13.989 -3.960 1.00 0.06 N ATOM 1985 CA SER A 168 10.014 12.753 -4.731 1.00 0.07 C ATOM 1986 C SER A 168 11.396 12.567 -5.348 1.00 0.09 C ATOM 1987 O SER A 168 11.927 11.457 -5.381 1.00 0.22 O ATOM 1988 CB SER A 168 8.949 12.753 -5.828 1.00 0.09 C ATOM 1989 OG SER A 168 9.003 11.561 -6.593 1.00 1.05 O ATOM 0 H SER A 168 9.164 14.597 -4.205 1.00 0.06 H new ATOM 0 HA SER A 168 9.827 11.922 -4.051 1.00 0.07 H new ATOM 0 HB2 SER A 168 7.961 12.856 -5.380 1.00 0.09 H new ATOM 0 HB3 SER A 168 9.095 13.614 -6.480 1.00 0.09 H new ATOM 0 HG SER A 168 8.311 11.586 -7.286 1.00 1.05 H new ATOM 1995 N ARG A 169 11.973 13.659 -5.839 1.00 0.08 N ATOM 1996 CA ARG A 169 13.293 13.613 -6.458 1.00 0.07 C ATOM 1997 C ARG A 169 14.369 13.263 -5.435 1.00 0.07 C ATOM 1998 O ARG A 169 14.893 12.149 -5.430 1.00 0.13 O ATOM 1999 CB ARG A 169 13.615 14.952 -7.122 1.00 0.08 C ATOM 2000 CG ARG A 169 12.734 15.259 -8.322 1.00 1.14 C ATOM 2001 CD ARG A 169 13.364 16.306 -9.225 1.00 1.82 C ATOM 2002 NE ARG A 169 13.586 15.802 -10.577 1.00 1.99 N ATOM 2003 CZ ARG A 169 12.605 15.515 -11.427 1.00 2.65 C ATOM 2004 NH1 ARG A 169 11.339 15.685 -11.069 1.00 3.30 N ATOM 2005 NH2 ARG A 169 12.888 15.059 -12.640 1.00 3.15 N ATOM 0 H ARG A 169 11.548 14.586 -5.820 1.00 0.08 H new ATOM 0 HA ARG A 169 13.280 12.832 -7.219 1.00 0.07 H new ATOM 0 HB2 ARG A 169 13.505 15.749 -6.387 1.00 0.08 H new ATOM 0 HB3 ARG A 169 14.658 14.951 -7.438 1.00 0.08 H new ATOM 0 HG2 ARG A 169 12.560 14.345 -8.890 1.00 1.14 H new ATOM 0 HG3 ARG A 169 11.761 15.611 -7.979 1.00 1.14 H new ATOM 0 HD2 ARG A 169 12.719 17.184 -9.267 1.00 1.82 H new ATOM 0 HD3 ARG A 169 14.314 16.628 -8.798 1.00 1.82 H new ATOM 0 HE ARG A 169 14.548 15.662 -10.887 1.00 1.99 H new ATOM 0 HH11 ARG A 169 11.115 16.037 -10.138 1.00 3.30 H new ATOM 0 HH12 ARG A 169 10.590 15.464 -11.724 1.00 3.30 H new ATOM 0 HH21 ARG A 169 13.860 14.928 -12.922 1.00 3.15 H new ATOM 0 HH22 ARG A 169 12.134 14.839 -13.291 1.00 3.15 H new ATOM 2019 N ILE A 170 14.697 14.219 -4.570 1.00 0.07 N ATOM 2020 CA ILE A 170 15.713 14.002 -3.547 1.00 0.08 C ATOM 2021 C ILE A 170 15.580 12.614 -2.935 1.00 0.09 C ATOM 2022 O ILE A 170 16.571 12.002 -2.534 1.00 0.18 O ATOM 2023 CB ILE A 170 15.626 15.057 -2.427 1.00 0.11 C ATOM 2024 CG1 ILE A 170 16.972 15.186 -1.713 1.00 1.10 C ATOM 2025 CG2 ILE A 170 14.529 14.692 -1.439 1.00 1.05 C ATOM 2026 CD1 ILE A 170 16.900 15.976 -0.424 1.00 1.89 C ATOM 0 H ILE A 170 14.275 15.148 -4.558 1.00 0.07 H new ATOM 0 HA ILE A 170 16.681 14.092 -4.039 1.00 0.08 H new ATOM 0 HB ILE A 170 15.379 16.020 -2.874 1.00 0.11 H new ATOM 0 HG12 ILE A 170 17.357 14.189 -1.498 1.00 1.10 H new ATOM 0 HG13 ILE A 170 17.685 15.665 -2.384 1.00 1.10 H new ATOM 0 HG21 ILE A 170 14.480 15.447 -0.654 1.00 1.05 H new ATOM 0 HG22 ILE A 170 13.572 14.646 -1.959 1.00 1.05 H new ATOM 0 HG23 ILE A 170 14.747 13.721 -0.995 1.00 1.05 H new ATOM 0 HD11 ILE A 170 17.891 16.027 0.028 1.00 1.89 H new ATOM 0 HD12 ILE A 170 16.545 16.985 -0.635 1.00 1.89 H new ATOM 0 HD13 ILE A 170 16.212 15.486 0.265 1.00 1.89 H new ATOM 2038 N ALA A 171 14.349 12.119 -2.869 1.00 0.07 N ATOM 2039 CA ALA A 171 14.085 10.800 -2.310 1.00 0.07 C ATOM 2040 C ALA A 171 14.731 9.712 -3.160 1.00 0.09 C ATOM 2041 O ALA A 171 15.312 8.762 -2.636 1.00 0.17 O ATOM 2042 CB ALA A 171 12.588 10.563 -2.195 1.00 0.09 C ATOM 0 H ALA A 171 13.518 12.612 -3.196 1.00 0.07 H new ATOM 0 HA ALA A 171 14.523 10.759 -1.313 1.00 0.07 H new ATOM 0 HB1 ALA A 171 12.407 9.573 -1.776 1.00 0.09 H new ATOM 0 HB2 ALA A 171 12.149 11.319 -1.544 1.00 0.09 H new ATOM 0 HB3 ALA A 171 12.133 10.627 -3.183 1.00 0.09 H new ATOM 2048 N ALA A 172 14.626 9.859 -4.477 1.00 0.09 N ATOM 2049 CA ALA A 172 15.201 8.891 -5.402 1.00 0.10 C ATOM 2050 C ALA A 172 16.714 9.054 -5.487 1.00 0.09 C ATOM 2051 O ALA A 172 17.445 8.079 -5.662 1.00 0.14 O ATOM 2052 CB ALA A 172 14.574 9.037 -6.780 1.00 0.14 C ATOM 0 H ALA A 172 14.148 10.640 -4.927 1.00 0.09 H new ATOM 0 HA ALA A 172 14.987 7.891 -5.025 1.00 0.10 H new ATOM 0 HB1 ALA A 172 15.014 8.307 -7.459 1.00 0.14 H new ATOM 0 HB2 ALA A 172 13.500 8.867 -6.711 1.00 0.14 H new ATOM 0 HB3 ALA A 172 14.758 10.042 -7.159 1.00 0.14 H new ATOM 2058 N TRP A 173 17.177 10.293 -5.358 1.00 0.11 N ATOM 2059 CA TRP A 173 18.604 10.585 -5.416 1.00 0.15 C ATOM 2060 C TRP A 173 19.336 9.917 -4.257 1.00 0.18 C ATOM 2061 O TRP A 173 20.487 9.501 -4.393 1.00 0.40 O ATOM 2062 CB TRP A 173 18.840 12.096 -5.384 1.00 0.18 C ATOM 2063 CG TRP A 173 18.558 12.771 -6.692 1.00 0.28 C ATOM 2064 CD1 TRP A 173 18.243 12.167 -7.875 1.00 0.95 C ATOM 2065 CD2 TRP A 173 18.569 14.180 -6.951 1.00 0.67 C ATOM 2066 NE1 TRP A 173 18.055 13.114 -8.852 1.00 0.93 N ATOM 2067 CE2 TRP A 173 18.250 14.357 -8.310 1.00 0.61 C ATOM 2068 CE3 TRP A 173 18.816 15.308 -6.164 1.00 1.49 C ATOM 2069 CZ2 TRP A 173 18.172 15.617 -8.899 1.00 0.99 C ATOM 2070 CZ3 TRP A 173 18.739 16.558 -6.749 1.00 1.97 C ATOM 2071 CH2 TRP A 173 18.419 16.703 -8.105 1.00 1.66 C ATOM 0 H TRP A 173 16.585 11.111 -5.213 1.00 0.11 H new ATOM 0 HA TRP A 173 18.997 10.187 -6.352 1.00 0.15 H new ATOM 0 HB2 TRP A 173 18.210 12.538 -4.612 1.00 0.18 H new ATOM 0 HB3 TRP A 173 19.875 12.289 -5.100 1.00 0.18 H new ATOM 0 HD1 TRP A 173 18.155 11.101 -8.021 1.00 0.95 H new ATOM 0 HE1 TRP A 173 17.810 12.923 -9.823 1.00 0.93 H new ATOM 0 HE3 TRP A 173 19.063 15.205 -5.118 1.00 1.49 H new ATOM 0 HZ2 TRP A 173 17.926 15.732 -9.944 1.00 0.99 H new ATOM 0 HZ3 TRP A 173 18.929 17.437 -6.151 1.00 1.97 H new ATOM 0 HH2 TRP A 173 18.366 17.693 -8.533 1.00 1.66 H new ATOM 2082 N MET A 174 18.658 9.812 -3.119 1.00 0.16 N ATOM 2083 CA MET A 174 19.241 9.189 -1.937 1.00 0.18 C ATOM 2084 C MET A 174 19.382 7.685 -2.136 1.00 0.16 C ATOM 2085 O MET A 174 20.471 7.129 -1.990 1.00 0.28 O ATOM 2086 CB MET A 174 18.379 9.473 -0.705 1.00 0.21 C ATOM 2087 CG MET A 174 18.983 10.504 0.234 1.00 1.10 C ATOM 2088 SD MET A 174 17.732 11.487 1.083 1.00 1.73 S ATOM 2089 CE MET A 174 18.540 11.780 2.655 1.00 2.66 C ATOM 0 H MET A 174 17.704 10.150 -2.991 1.00 0.16 H new ATOM 0 HA MET A 174 20.232 9.615 -1.782 1.00 0.18 H new ATOM 0 HB2 MET A 174 17.398 9.820 -1.030 1.00 0.21 H new ATOM 0 HB3 MET A 174 18.223 8.543 -0.158 1.00 0.21 H new ATOM 0 HG2 MET A 174 19.604 9.997 0.972 1.00 1.10 H new ATOM 0 HG3 MET A 174 19.637 11.167 -0.332 1.00 1.10 H new ATOM 0 HE1 MET A 174 17.828 12.220 3.353 1.00 2.66 H new ATOM 0 HE2 MET A 174 18.907 10.836 3.057 1.00 2.66 H new ATOM 0 HE3 MET A 174 19.377 12.463 2.512 1.00 2.66 H new ATOM 2099 N ALA A 175 18.275 7.032 -2.474 1.00 0.10 N ATOM 2100 CA ALA A 175 18.277 5.592 -2.698 1.00 0.09 C ATOM 2101 C ALA A 175 19.322 5.205 -3.738 1.00 0.08 C ATOM 2102 O ALA A 175 19.748 4.052 -3.806 1.00 0.13 O ATOM 2103 CB ALA A 175 16.895 5.124 -3.129 1.00 0.12 C ATOM 0 H ALA A 175 17.366 7.477 -2.599 1.00 0.10 H new ATOM 0 HA ALA A 175 18.536 5.099 -1.761 1.00 0.09 H new ATOM 0 HB1 ALA A 175 16.910 4.047 -3.293 1.00 0.12 H new ATOM 0 HB2 ALA A 175 16.171 5.362 -2.350 1.00 0.12 H new ATOM 0 HB3 ALA A 175 16.612 5.628 -4.053 1.00 0.12 H new ATOM 2109 N THR A 176 19.734 6.179 -4.543 1.00 0.06 N ATOM 2110 CA THR A 176 20.735 5.945 -5.578 1.00 0.06 C ATOM 2111 C THR A 176 22.140 6.019 -4.992 1.00 0.08 C ATOM 2112 O THR A 176 23.008 5.211 -5.325 1.00 0.16 O ATOM 2113 CB THR A 176 20.587 6.973 -6.701 1.00 0.09 C ATOM 2114 OG1 THR A 176 20.359 6.330 -7.942 1.00 1.12 O ATOM 2115 CG2 THR A 176 21.801 7.863 -6.862 1.00 1.19 C ATOM 0 H THR A 176 19.390 7.138 -4.499 1.00 0.06 H new ATOM 0 HA THR A 176 20.578 4.947 -5.986 1.00 0.06 H new ATOM 0 HB THR A 176 19.737 7.593 -6.415 1.00 0.09 H new ATOM 0 HG1 THR A 176 20.265 7.004 -8.647 1.00 1.12 H new ATOM 0 HG21 THR A 176 21.630 8.569 -7.675 1.00 1.19 H new ATOM 0 HG22 THR A 176 21.975 8.411 -5.936 1.00 1.19 H new ATOM 0 HG23 THR A 176 22.673 7.251 -7.091 1.00 1.19 H new ATOM 2123 N TYR A 177 22.354 6.996 -4.118 1.00 0.06 N ATOM 2124 CA TYR A 177 23.650 7.185 -3.479 1.00 0.07 C ATOM 2125 C TYR A 177 23.879 6.138 -2.394 1.00 0.09 C ATOM 2126 O TYR A 177 24.997 5.660 -2.204 1.00 0.17 O ATOM 2127 CB TYR A 177 23.738 8.590 -2.880 1.00 0.10 C ATOM 2128 CG TYR A 177 25.153 9.066 -2.640 1.00 0.26 C ATOM 2129 CD1 TYR A 177 25.803 8.797 -1.442 1.00 1.10 C ATOM 2130 CD2 TYR A 177 25.837 9.787 -3.610 1.00 1.08 C ATOM 2131 CE1 TYR A 177 27.094 9.234 -1.217 1.00 1.19 C ATOM 2132 CE2 TYR A 177 27.129 10.227 -3.393 1.00 1.19 C ATOM 2133 CZ TYR A 177 27.753 9.949 -2.195 1.00 0.70 C ATOM 2134 OH TYR A 177 29.038 10.386 -1.974 1.00 0.93 O ATOM 0 H TYR A 177 21.644 7.671 -3.835 1.00 0.06 H new ATOM 0 HA TYR A 177 24.426 7.069 -4.236 1.00 0.07 H new ATOM 0 HB2 TYR A 177 23.238 9.291 -3.548 1.00 0.10 H new ATOM 0 HB3 TYR A 177 23.194 8.606 -1.935 1.00 0.10 H new ATOM 0 HD1 TYR A 177 25.290 8.237 -0.674 1.00 1.10 H new ATOM 0 HD2 TYR A 177 25.351 10.007 -4.549 1.00 1.08 H new ATOM 0 HE1 TYR A 177 27.585 9.017 -0.280 1.00 1.19 H new ATOM 0 HE2 TYR A 177 27.648 10.786 -4.158 1.00 1.19 H new ATOM 0 HH TYR A 177 29.358 10.873 -2.762 1.00 0.93 H new ATOM 2144 N LEU A 178 22.812 5.788 -1.684 1.00 0.10 N ATOM 2145 CA LEU A 178 22.894 4.799 -0.615 1.00 0.12 C ATOM 2146 C LEU A 178 23.167 3.406 -1.177 1.00 0.13 C ATOM 2147 O LEU A 178 23.689 2.537 -0.479 1.00 0.22 O ATOM 2148 CB LEU A 178 21.594 4.785 0.193 1.00 0.17 C ATOM 2149 CG LEU A 178 21.589 5.684 1.430 1.00 0.92 C ATOM 2150 CD1 LEU A 178 20.187 6.204 1.708 1.00 1.86 C ATOM 2151 CD2 LEU A 178 22.127 4.930 2.635 1.00 1.74 C ATOM 0 H LEU A 178 21.879 6.175 -1.829 1.00 0.10 H new ATOM 0 HA LEU A 178 23.722 5.076 0.038 1.00 0.12 H new ATOM 0 HB2 LEU A 178 20.775 5.087 -0.460 1.00 0.17 H new ATOM 0 HB3 LEU A 178 21.390 3.761 0.506 1.00 0.17 H new ATOM 0 HG LEU A 178 22.239 6.538 1.238 1.00 0.92 H new ATOM 0 HD11 LEU A 178 20.204 6.842 2.592 1.00 1.86 H new ATOM 0 HD12 LEU A 178 19.836 6.780 0.852 1.00 1.86 H new ATOM 0 HD13 LEU A 178 19.515 5.363 1.880 1.00 1.86 H new ATOM 0 HD21 LEU A 178 22.117 5.584 3.507 1.00 1.74 H new ATOM 0 HD22 LEU A 178 21.502 4.058 2.828 1.00 1.74 H new ATOM 0 HD23 LEU A 178 23.149 4.607 2.436 1.00 1.74 H new ATOM 2163 N ASN A 179 22.802 3.198 -2.438 1.00 0.11 N ATOM 2164 CA ASN A 179 23.000 1.908 -3.089 1.00 0.12 C ATOM 2165 C ASN A 179 24.248 1.913 -3.969 1.00 0.13 C ATOM 2166 O ASN A 179 24.570 0.911 -4.607 1.00 0.22 O ATOM 2167 CB ASN A 179 21.772 1.551 -3.931 1.00 0.15 C ATOM 2168 CG ASN A 179 21.959 0.265 -4.713 0.50 1.26 C ATOM 2169 OD1 ASN A 179 22.745 -0.600 -4.329 0.50 2.22 O ATOM 2170 ND2 ASN A 179 21.235 0.134 -5.819 0.50 1.91 N ATOM 0 H ASN A 179 22.367 3.906 -3.029 1.00 0.11 H new ATOM 0 HA ASN A 179 23.138 1.158 -2.310 1.00 0.12 H new ATOM 0 HB2 ASN A 179 20.904 1.453 -3.279 1.00 0.15 H new ATOM 0 HB3 ASN A 179 21.560 2.366 -4.623 1.00 0.15 H new ATOM 0 HD21 ASN A 179 21.319 -0.709 -6.387 0.50 1.91 H new ATOM 0 HD22 ASN A 179 20.595 0.877 -6.101 0.50 1.91 H new ATOM 2177 N ASP A 180 24.943 3.047 -4.009 1.00 0.10 N ATOM 2178 CA ASP A 180 26.148 3.168 -4.826 1.00 0.11 C ATOM 2179 C ASP A 180 27.303 3.800 -4.050 1.00 0.13 C ATOM 2180 O ASP A 180 28.413 3.915 -4.569 1.00 0.20 O ATOM 2181 CB ASP A 180 25.851 3.996 -6.079 1.00 0.14 C ATOM 2182 CG ASP A 180 27.066 4.753 -6.579 1.00 1.28 C ATOM 2183 OD1 ASP A 180 27.453 5.749 -5.932 1.00 2.08 O ATOM 2184 OD2 ASP A 180 27.632 4.348 -7.616 1.00 2.09 O ATOM 0 H ASP A 180 24.695 3.889 -3.490 1.00 0.10 H new ATOM 0 HA ASP A 180 26.452 2.161 -5.113 1.00 0.11 H new ATOM 0 HB2 ASP A 180 25.488 3.337 -6.868 1.00 0.14 H new ATOM 0 HB3 ASP A 180 25.051 4.703 -5.861 1.00 0.14 H new ATOM 2189 N HIS A 181 27.047 4.217 -2.814 1.00 0.11 N ATOM 2190 CA HIS A 181 28.090 4.841 -2.006 1.00 0.13 C ATOM 2191 C HIS A 181 27.979 4.453 -0.535 1.00 0.14 C ATOM 2192 O HIS A 181 28.652 5.037 0.315 1.00 0.31 O ATOM 2193 CB HIS A 181 28.022 6.362 -2.142 1.00 0.18 C ATOM 2194 CG HIS A 181 29.366 7.015 -2.250 1.00 1.00 C ATOM 2195 ND1 HIS A 181 30.401 6.762 -1.373 1.00 1.80 N ATOM 2196 CD2 HIS A 181 29.844 7.913 -3.143 1.00 1.83 C ATOM 2197 CE1 HIS A 181 31.456 7.477 -1.722 1.00 2.32 C ATOM 2198 NE2 HIS A 181 31.144 8.183 -2.793 1.00 2.31 N ATOM 0 H HIS A 181 26.140 4.136 -2.355 1.00 0.11 H new ATOM 0 HA HIS A 181 29.049 4.480 -2.377 1.00 0.13 H new ATOM 0 HB2 HIS A 181 27.433 6.614 -3.024 1.00 0.18 H new ATOM 0 HB3 HIS A 181 27.496 6.772 -1.280 1.00 0.18 H new ATOM 0 HD1 HIS A 181 30.358 6.123 -0.579 1.00 1.80 H new ATOM 0 HD2 HIS A 181 29.303 8.338 -3.976 1.00 1.83 H new ATOM 0 HE1 HIS A 181 32.411 7.483 -1.217 1.00 2.32 H new ATOM 2206 N LEU A 182 27.135 3.473 -0.233 1.00 0.12 N ATOM 2207 CA LEU A 182 26.957 3.032 1.146 1.00 0.14 C ATOM 2208 C LEU A 182 26.620 1.546 1.218 1.00 0.12 C ATOM 2209 O LEU A 182 27.177 0.816 2.038 1.00 0.14 O ATOM 2210 CB LEU A 182 25.859 3.854 1.825 1.00 0.20 C ATOM 2211 CG LEU A 182 26.262 5.281 2.204 1.00 0.65 C ATOM 2212 CD1 LEU A 182 25.136 6.256 1.900 1.00 1.62 C ATOM 2213 CD2 LEU A 182 26.650 5.353 3.672 1.00 1.43 C ATOM 0 H LEU A 182 26.568 2.972 -0.917 1.00 0.12 H new ATOM 0 HA LEU A 182 27.900 3.188 1.671 1.00 0.14 H new ATOM 0 HB2 LEU A 182 24.997 3.900 1.160 1.00 0.20 H new ATOM 0 HB3 LEU A 182 25.539 3.331 2.726 1.00 0.20 H new ATOM 0 HG LEU A 182 27.128 5.563 1.605 1.00 0.65 H new ATOM 0 HD11 LEU A 182 25.443 7.264 2.177 1.00 1.62 H new ATOM 0 HD12 LEU A 182 24.907 6.226 0.835 1.00 1.62 H new ATOM 0 HD13 LEU A 182 24.250 5.977 2.470 1.00 1.62 H new ATOM 0 HD21 LEU A 182 26.934 6.375 3.924 1.00 1.43 H new ATOM 0 HD22 LEU A 182 25.803 5.049 4.287 1.00 1.43 H new ATOM 0 HD23 LEU A 182 27.492 4.686 3.859 1.00 1.43 H new ATOM 2225 N GLU A 183 25.706 1.102 0.362 1.00 0.00 N ATOM 2226 CA GLU A 183 25.302 -0.300 0.342 1.00 0.00 C ATOM 2227 C GLU A 183 26.498 -1.211 0.608 1.00 0.00 C ATOM 2228 O GLU A 183 26.499 -1.985 1.566 1.00 0.00 O ATOM 2229 CB GLU A 183 24.197 -1.040 -0.462 1.00 0.00 C ATOM 2230 CG GLU A 183 22.777 -1.134 0.190 1.00 0.00 C ATOM 2231 CD GLU A 183 22.295 -2.499 0.687 1.00 0.00 C ATOM 2232 OE1 GLU A 183 22.077 -2.738 1.868 1.00 0.00 O ATOM 2233 OE2 GLU A 183 22.130 -3.417 -0.305 1.00 0.00 O ATOM 0 H GLU A 183 25.232 1.689 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 183 24.530 -0.052 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 183 24.093 -0.545 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 183 24.545 -2.054 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 183 22.753 -0.445 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 183 22.052 -0.771 -0.538 1.00 0.00 H new ATOM 2241 N PRO A 184 27.538 -1.128 -0.237 1.00 0.10 N ATOM 2242 CA PRO A 184 28.746 -1.946 -0.086 1.00 0.12 C ATOM 2243 C PRO A 184 29.363 -1.811 1.302 1.00 0.12 C ATOM 2244 O PRO A 184 30.007 -2.735 1.799 1.00 0.23 O ATOM 2245 CB PRO A 184 29.695 -1.384 -1.147 1.00 0.16 C ATOM 2246 CG PRO A 184 28.803 -0.760 -2.163 1.00 0.26 C ATOM 2247 CD PRO A 184 27.620 -0.230 -1.403 1.00 0.14 C ATOM 0 HA PRO A 184 28.535 -3.009 -0.206 1.00 0.12 H new ATOM 0 HB2 PRO A 184 30.379 -0.652 -0.718 1.00 0.16 H new ATOM 0 HB3 PRO A 184 30.307 -2.171 -1.588 1.00 0.16 H new ATOM 0 HG2 PRO A 184 29.317 0.041 -2.694 1.00 0.26 H new ATOM 0 HG3 PRO A 184 28.492 -1.490 -2.910 1.00 0.26 H new ATOM 0 HD2 PRO A 184 27.767 0.807 -1.103 1.00 0.14 H new ATOM 0 HD3 PRO A 184 26.710 -0.263 -2.001 1.00 0.14 H new ATOM 2255 N TRP A 185 29.163 -0.653 1.923 1.00 0.08 N ATOM 2256 CA TRP A 185 29.700 -0.395 3.254 1.00 0.09 C ATOM 2257 C TRP A 185 28.825 -1.031 4.330 1.00 0.10 C ATOM 2258 O TRP A 185 29.310 -1.786 5.173 1.00 0.23 O ATOM 2259 CB TRP A 185 29.809 1.112 3.497 1.00 0.12 C ATOM 2260 CG TRP A 185 31.203 1.568 3.802 1.00 1.07 C ATOM 2261 CD1 TRP A 185 32.057 2.214 2.955 1.00 1.79 C ATOM 2262 CD2 TRP A 185 31.905 1.414 5.040 1.00 2.06 C ATOM 2263 NE1 TRP A 185 33.247 2.471 3.591 1.00 2.64 N ATOM 2264 CE2 TRP A 185 33.179 1.990 4.872 1.00 2.82 C ATOM 2265 CE3 TRP A 185 31.581 0.846 6.276 1.00 2.77 C ATOM 2266 CZ2 TRP A 185 34.126 2.014 5.892 1.00 3.87 C ATOM 2267 CZ3 TRP A 185 32.523 0.870 7.288 1.00 3.89 C ATOM 2268 CH2 TRP A 185 33.782 1.451 7.091 1.00 4.33 C ATOM 0 H TRP A 185 28.633 0.122 1.525 1.00 0.08 H new ATOM 0 HA TRP A 185 30.693 -0.841 3.310 1.00 0.09 H new ATOM 0 HB2 TRP A 185 29.447 1.641 2.616 1.00 0.12 H new ATOM 0 HB3 TRP A 185 29.156 1.387 4.325 1.00 0.12 H new ATOM 0 HD1 TRP A 185 31.830 2.484 1.934 1.00 1.79 H new ATOM 0 HE1 TRP A 185 34.051 2.943 3.177 1.00 2.64 H new ATOM 0 HE3 TRP A 185 30.612 0.397 6.437 1.00 2.77 H new ATOM 0 HZ2 TRP A 185 35.098 2.461 5.742 1.00 3.87 H new ATOM 0 HZ3 TRP A 185 32.284 0.433 8.246 1.00 3.89 H new ATOM 0 HH2 TRP A 185 34.496 1.455 7.902 1.00 4.33 H new ATOM 2279 N ILE A 186 27.534 -0.717 4.297 1.00 0.07 N ATOM 2280 CA ILE A 186 26.590 -1.253 5.272 1.00 0.06 C ATOM 2281 C ILE A 186 26.622 -2.778 5.296 1.00 0.07 C ATOM 2282 O ILE A 186 26.338 -3.398 6.321 1.00 0.11 O ATOM 2283 CB ILE A 186 25.151 -0.792 4.978 1.00 0.07 C ATOM 2284 CG1 ILE A 186 24.382 -0.592 6.285 1.00 1.08 C ATOM 2285 CG2 ILE A 186 24.443 -1.803 4.089 1.00 1.10 C ATOM 2286 CD1 ILE A 186 24.575 0.779 6.896 1.00 1.95 C ATOM 0 H ILE A 186 27.117 -0.094 3.605 1.00 0.07 H new ATOM 0 HA ILE A 186 26.898 -0.869 6.245 1.00 0.06 H new ATOM 0 HB ILE A 186 25.189 0.161 4.451 1.00 0.07 H new ATOM 0 HG12 ILE A 186 23.320 -0.752 6.100 1.00 1.08 H new ATOM 0 HG13 ILE A 186 24.699 -1.349 7.003 1.00 1.08 H new ATOM 0 HG21 ILE A 186 23.427 -1.463 3.890 1.00 1.10 H new ATOM 0 HG22 ILE A 186 24.984 -1.901 3.148 1.00 1.10 H new ATOM 0 HG23 ILE A 186 24.411 -2.770 4.592 1.00 1.10 H new ATOM 0 HD11 ILE A 186 24.001 0.850 7.820 1.00 1.95 H new ATOM 0 HD12 ILE A 186 25.632 0.935 7.113 1.00 1.95 H new ATOM 0 HD13 ILE A 186 24.232 1.541 6.196 1.00 1.95 H new ATOM 2298 N GLN A 187 26.964 -3.378 4.161 1.00 0.06 N ATOM 2299 CA GLN A 187 27.027 -4.832 4.053 1.00 0.07 C ATOM 2300 C GLN A 187 28.351 -5.365 4.590 1.00 0.07 C ATOM 2301 O GLN A 187 28.545 -6.577 4.694 1.00 0.12 O ATOM 2302 CB GLN A 187 26.845 -5.263 2.597 1.00 0.09 C ATOM 2303 CG GLN A 187 26.038 -6.542 2.436 1.00 1.07 C ATOM 2304 CD GLN A 187 26.910 -7.781 2.399 1.00 1.87 C ATOM 2305 OE1 GLN A 187 27.293 -8.316 3.440 1.00 2.82 O ATOM 2306 NE2 GLN A 187 27.229 -8.246 1.197 1.00 2.27 N ATOM 0 H GLN A 187 27.202 -2.881 3.303 1.00 0.06 H new ATOM 0 HA GLN A 187 26.219 -5.249 4.654 1.00 0.07 H new ATOM 0 HB2 GLN A 187 26.352 -4.461 2.049 1.00 0.09 H new ATOM 0 HB3 GLN A 187 27.826 -5.403 2.143 1.00 0.09 H new ATOM 0 HG2 GLN A 187 25.329 -6.626 3.260 1.00 1.07 H new ATOM 0 HG3 GLN A 187 25.454 -6.486 1.517 1.00 1.07 H new ATOM 0 HE21 GLN A 187 26.890 -7.772 0.360 1.00 2.27 H new ATOM 0 HE22 GLN A 187 27.813 -9.078 1.110 1.00 2.27 H new ATOM 2315 N GLU A 188 29.262 -4.457 4.925 1.00 0.09 N ATOM 2316 CA GLU A 188 30.569 -4.842 5.444 1.00 0.09 C ATOM 2317 C GLU A 188 30.661 -4.610 6.950 1.00 0.07 C ATOM 2318 O GLU A 188 31.689 -4.892 7.566 1.00 0.16 O ATOM 2319 CB GLU A 188 31.671 -4.060 4.727 1.00 0.14 C ATOM 2320 CG GLU A 188 32.570 -4.929 3.862 1.00 1.18 C ATOM 2321 CD GLU A 188 33.858 -4.230 3.475 1.00 2.19 C ATOM 2322 OE1 GLU A 188 34.679 -3.956 4.376 1.00 2.93 O ATOM 2323 OE2 GLU A 188 34.046 -3.955 2.271 1.00 2.88 O ATOM 0 H GLU A 188 29.119 -3.450 4.846 1.00 0.09 H new ATOM 0 HA GLU A 188 30.702 -5.908 5.258 1.00 0.09 H new ATOM 0 HB2 GLU A 188 31.213 -3.292 4.104 1.00 0.14 H new ATOM 0 HB3 GLU A 188 32.282 -3.546 5.469 1.00 0.14 H new ATOM 0 HG2 GLU A 188 32.807 -5.848 4.399 1.00 1.18 H new ATOM 0 HG3 GLU A 188 32.031 -5.217 2.959 1.00 1.18 H new ATOM 2330 N ASN A 189 29.587 -4.094 7.540 1.00 0.13 N ATOM 2331 CA ASN A 189 29.561 -3.828 8.975 1.00 0.16 C ATOM 2332 C ASN A 189 28.369 -4.509 9.639 1.00 0.14 C ATOM 2333 O ASN A 189 27.931 -4.103 10.716 1.00 0.18 O ATOM 2334 CB ASN A 189 29.511 -2.322 9.239 1.00 0.21 C ATOM 2335 CG ASN A 189 28.761 -1.570 8.158 1.00 1.28 C ATOM 2336 OD1 ASN A 189 28.125 -2.174 7.295 1.00 2.22 O ATOM 2337 ND2 ASN A 189 28.833 -0.245 8.200 1.00 1.96 N ATOM 0 H ASN A 189 28.726 -3.852 7.049 1.00 0.13 H new ATOM 0 HA ASN A 189 30.475 -4.236 9.406 1.00 0.16 H new ATOM 0 HB2 ASN A 189 29.034 -2.140 10.202 1.00 0.21 H new ATOM 0 HB3 ASN A 189 30.527 -1.934 9.309 1.00 0.21 H new ATOM 0 HD21 ASN A 189 28.349 0.315 7.498 1.00 1.96 H new ATOM 0 HD22 ASN A 189 29.372 0.213 8.934 1.00 1.96 H new ATOM 2344 N GLY A 190 27.849 -5.547 8.993 1.00 0.13 N ATOM 2345 CA GLY A 190 26.713 -6.266 9.539 1.00 0.13 C ATOM 2346 C GLY A 190 25.393 -5.585 9.234 1.00 0.10 C ATOM 2347 O GLY A 190 24.471 -5.610 10.049 1.00 0.15 O ATOM 0 H GLY A 190 28.194 -5.903 8.102 1.00 0.13 H new ATOM 0 HA2 GLY A 190 26.698 -7.278 9.133 1.00 0.13 H new ATOM 0 HA3 GLY A 190 26.830 -6.357 10.619 1.00 0.13 H new ATOM 2351 N GLY A 191 25.302 -4.977 8.056 1.00 0.08 N ATOM 2352 CA GLY A 191 24.082 -4.297 7.664 1.00 0.08 C ATOM 2353 C GLY A 191 23.577 -3.344 8.729 1.00 0.09 C ATOM 2354 O GLY A 191 24.364 -2.754 9.469 1.00 0.16 O ATOM 0 H GLY A 191 26.052 -4.943 7.366 1.00 0.08 H new ATOM 0 HA2 GLY A 191 24.259 -3.744 6.742 1.00 0.08 H new ATOM 0 HA3 GLY A 191 23.311 -5.037 7.449 1.00 0.08 H new ATOM 2358 N TRP A 192 22.259 -3.194 8.806 1.00 0.06 N ATOM 2359 CA TRP A 192 21.644 -2.307 9.786 1.00 0.06 C ATOM 2360 C TRP A 192 21.547 -2.986 11.149 1.00 0.06 C ATOM 2361 O TRP A 192 21.758 -2.354 12.185 1.00 0.13 O ATOM 2362 CB TRP A 192 20.254 -1.879 9.313 1.00 0.09 C ATOM 2363 CG TRP A 192 20.136 -1.787 7.821 1.00 1.12 C ATOM 2364 CD1 TRP A 192 19.642 -2.741 6.978 1.00 2.03 C ATOM 2365 CD2 TRP A 192 20.522 -0.682 6.994 1.00 1.93 C ATOM 2366 NE1 TRP A 192 19.697 -2.297 5.679 1.00 2.86 N ATOM 2367 CE2 TRP A 192 20.233 -1.036 5.663 1.00 2.78 C ATOM 2368 CE3 TRP A 192 21.084 0.573 7.250 1.00 2.52 C ATOM 2369 CZ2 TRP A 192 20.485 -0.181 4.592 1.00 3.70 C ATOM 2370 CZ3 TRP A 192 21.334 1.420 6.186 1.00 3.52 C ATOM 2371 CH2 TRP A 192 21.035 1.040 4.872 1.00 3.96 C ATOM 0 H TRP A 192 21.595 -3.676 8.200 1.00 0.06 H new ATOM 0 HA TRP A 192 22.273 -1.423 9.887 1.00 0.06 H new ATOM 0 HB2 TRP A 192 19.516 -2.590 9.685 1.00 0.09 H new ATOM 0 HB3 TRP A 192 20.012 -0.910 9.750 1.00 0.09 H new ATOM 0 HD1 TRP A 192 19.263 -3.704 7.287 1.00 2.03 H new ATOM 0 HE1 TRP A 192 19.389 -2.821 4.860 1.00 2.86 H new ATOM 0 HE3 TRP A 192 21.318 0.875 8.260 1.00 2.52 H new ATOM 0 HZ2 TRP A 192 20.255 -0.472 3.578 1.00 3.70 H new ATOM 0 HZ3 TRP A 192 21.767 2.392 6.372 1.00 3.52 H new ATOM 0 HH2 TRP A 192 21.243 1.725 4.063 1.00 3.96 H new ATOM 2382 N ASP A 193 21.231 -4.277 11.139 1.00 0.00 N ATOM 2383 CA ASP A 193 21.109 -5.047 12.371 1.00 0.00 C ATOM 2384 C ASP A 193 22.132 -4.598 13.411 1.00 0.00 C ATOM 2385 O ASP A 193 21.878 -4.665 14.614 1.00 0.00 O ATOM 2386 CB ASP A 193 21.242 -6.557 12.044 1.00 0.00 C ATOM 2387 CG ASP A 193 20.969 -7.538 13.193 1.00 0.00 C ATOM 2388 OD1 ASP A 193 21.630 -8.550 13.377 1.00 0.00 O ATOM 2389 OD2 ASP A 193 19.932 -7.144 13.991 1.00 0.00 O ATOM 0 H ASP A 193 21.054 -4.813 10.289 1.00 0.00 H new ATOM 0 HA ASP A 193 20.127 -4.870 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 193 20.558 -6.790 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 193 22.252 -6.738 11.675 1.00 0.00 H new ATOM 2395 N THR A 194 23.289 -4.143 12.940 1.00 0.06 N ATOM 2396 CA THR A 194 24.351 -3.687 13.831 1.00 0.07 C ATOM 2397 C THR A 194 24.067 -2.281 14.351 1.00 0.08 C ATOM 2398 O THR A 194 24.244 -2.000 15.537 1.00 0.12 O ATOM 2399 CB THR A 194 25.696 -3.710 13.103 1.00 0.10 C ATOM 2400 OG1 THR A 194 25.668 -4.634 12.030 1.00 1.28 O ATOM 2401 CG2 THR A 194 26.856 -4.084 14.000 1.00 1.28 C ATOM 0 H THR A 194 23.515 -4.080 11.947 1.00 0.06 H new ATOM 0 HA THR A 194 24.390 -4.366 14.683 1.00 0.07 H new ATOM 0 HB THR A 194 25.849 -2.692 12.745 1.00 0.10 H new ATOM 0 HG1 THR A 194 26.453 -4.496 11.459 1.00 1.28 H new ATOM 0 HG21 THR A 194 27.779 -4.081 13.421 1.00 1.28 H new ATOM 0 HG22 THR A 194 26.935 -3.362 14.813 1.00 1.28 H new ATOM 0 HG23 THR A 194 26.690 -5.079 14.414 1.00 1.28 H new ATOM 2409 N PHE A 195 23.630 -1.400 13.457 1.00 0.10 N ATOM 2410 CA PHE A 195 23.327 -0.021 13.827 1.00 0.13 C ATOM 2411 C PHE A 195 22.249 0.036 14.905 1.00 0.14 C ATOM 2412 O PHE A 195 22.329 0.842 15.833 1.00 0.23 O ATOM 2413 CB PHE A 195 22.877 0.771 12.598 1.00 0.17 C ATOM 2414 CG PHE A 195 22.515 2.195 12.903 1.00 0.26 C ATOM 2415 CD1 PHE A 195 23.503 3.147 13.100 1.00 1.03 C ATOM 2416 CD2 PHE A 195 21.188 2.582 12.995 1.00 1.25 C ATOM 2417 CE1 PHE A 195 23.173 4.459 13.383 1.00 1.04 C ATOM 2418 CE2 PHE A 195 20.852 3.892 13.277 1.00 1.36 C ATOM 2419 CZ PHE A 195 21.846 4.832 13.472 1.00 0.59 C ATOM 0 H PHE A 195 23.478 -1.616 12.472 1.00 0.10 H new ATOM 0 HA PHE A 195 24.236 0.426 14.229 1.00 0.13 H new ATOM 0 HB2 PHE A 195 23.675 0.758 11.855 1.00 0.17 H new ATOM 0 HB3 PHE A 195 22.017 0.274 12.150 1.00 0.17 H new ATOM 0 HD1 PHE A 195 24.542 2.860 13.032 1.00 1.03 H new ATOM 0 HD2 PHE A 195 20.407 1.851 12.845 1.00 1.25 H new ATOM 0 HE1 PHE A 195 23.952 5.192 13.534 1.00 1.04 H new ATOM 0 HE2 PHE A 195 19.814 4.181 13.345 1.00 1.36 H new ATOM 0 HZ PHE A 195 21.586 5.856 13.694 1.00 0.59 H new ATOM 2429 N VAL A 196 21.241 -0.820 14.777 1.00 0.10 N ATOM 2430 CA VAL A 196 20.150 -0.860 15.745 1.00 0.11 C ATOM 2431 C VAL A 196 20.583 -1.560 17.027 1.00 0.08 C ATOM 2432 O VAL A 196 19.955 -1.403 18.074 1.00 0.14 O ATOM 2433 CB VAL A 196 18.909 -1.577 15.179 1.00 0.13 C ATOM 2434 CG1 VAL A 196 17.637 -0.920 15.692 1.00 1.40 C ATOM 2435 CG2 VAL A 196 18.937 -1.586 13.658 1.00 1.38 C ATOM 0 H VAL A 196 21.156 -1.493 14.016 1.00 0.10 H new ATOM 0 HA VAL A 196 19.889 0.175 15.963 1.00 0.11 H new ATOM 0 HB VAL A 196 18.924 -2.612 15.522 1.00 0.13 H new ATOM 0 HG11 VAL A 196 16.770 -1.438 15.283 1.00 1.40 H new ATOM 0 HG12 VAL A 196 17.613 -0.975 16.780 1.00 1.40 H new ATOM 0 HG13 VAL A 196 17.616 0.124 15.381 1.00 1.40 H new ATOM 0 HG21 VAL A 196 18.051 -2.097 13.281 1.00 1.38 H new ATOM 0 HG22 VAL A 196 18.949 -0.561 13.288 1.00 1.38 H new ATOM 0 HG23 VAL A 196 19.831 -2.106 13.314 1.00 1.38 H new ATOM 2445 N GLU A 197 21.658 -2.334 16.935 1.00 0.11 N ATOM 2446 CA GLU A 197 22.179 -3.063 18.084 1.00 0.08 C ATOM 2447 C GLU A 197 23.244 -2.251 18.817 1.00 0.08 C ATOM 2448 O GLU A 197 23.784 -2.694 19.831 1.00 0.09 O ATOM 2449 CB GLU A 197 22.762 -4.404 17.634 1.00 0.09 C ATOM 2450 CG GLU A 197 22.963 -5.394 18.770 1.00 1.20 C ATOM 2451 CD GLU A 197 22.714 -6.827 18.344 1.00 1.79 C ATOM 2452 OE1 GLU A 197 22.912 -7.135 17.149 1.00 2.58 O ATOM 2453 OE2 GLU A 197 22.323 -7.643 19.205 1.00 2.25 O ATOM 0 H GLU A 197 22.187 -2.473 16.074 1.00 0.11 H new ATOM 0 HA GLU A 197 21.354 -3.241 18.774 1.00 0.08 H new ATOM 0 HB2 GLU A 197 22.100 -4.847 16.890 1.00 0.09 H new ATOM 0 HB3 GLU A 197 23.719 -4.228 17.143 1.00 0.09 H new ATOM 0 HG2 GLU A 197 23.980 -5.303 19.150 1.00 1.20 H new ATOM 0 HG3 GLU A 197 22.292 -5.141 19.591 1.00 1.20 H new ATOM 2460 N LEU A 198 23.548 -1.065 18.299 1.00 0.11 N ATOM 2461 CA LEU A 198 24.553 -0.204 18.911 1.00 0.14 C ATOM 2462 C LEU A 198 23.949 1.127 19.355 1.00 0.13 C ATOM 2463 O LEU A 198 23.791 1.377 20.550 1.00 0.32 O ATOM 2464 CB LEU A 198 25.707 0.035 17.937 1.00 0.25 C ATOM 2465 CG LEU A 198 27.026 -0.630 18.329 1.00 0.82 C ATOM 2466 CD1 LEU A 198 27.479 -1.599 17.248 1.00 1.90 C ATOM 2467 CD2 LEU A 198 28.094 0.421 18.591 1.00 1.48 C ATOM 0 H LEU A 198 23.114 -0.680 17.460 1.00 0.11 H new ATOM 0 HA LEU A 198 24.935 -0.710 19.798 1.00 0.14 H new ATOM 0 HB2 LEU A 198 25.413 -0.327 16.952 1.00 0.25 H new ATOM 0 HB3 LEU A 198 25.871 1.109 17.846 1.00 0.25 H new ATOM 0 HG LEU A 198 26.868 -1.195 19.248 1.00 0.82 H new ATOM 0 HD11 LEU A 198 28.420 -2.062 17.546 1.00 1.90 H new ATOM 0 HD12 LEU A 198 26.722 -2.371 17.111 1.00 1.90 H new ATOM 0 HD13 LEU A 198 27.621 -1.059 16.312 1.00 1.90 H new ATOM 0 HD21 LEU A 198 29.027 -0.070 18.869 1.00 1.48 H new ATOM 0 HD22 LEU A 198 28.250 1.014 17.690 1.00 1.48 H new ATOM 0 HD23 LEU A 198 27.771 1.073 19.403 1.00 1.48 H new ATOM 2479 N TYR A 199 23.612 1.979 18.390 1.00 0.20 N ATOM 2480 CA TYR A 199 23.025 3.282 18.693 1.00 0.20 C ATOM 2481 C TYR A 199 21.517 3.267 18.455 1.00 0.20 C ATOM 2482 O TYR A 199 20.984 4.110 17.733 1.00 0.22 O ATOM 2483 CB TYR A 199 23.673 4.374 17.837 1.00 0.24 C ATOM 2484 CG TYR A 199 25.033 4.822 18.332 1.00 0.62 C ATOM 2485 CD1 TYR A 199 26.036 3.900 18.601 1.00 1.35 C ATOM 2486 CD2 TYR A 199 25.313 6.169 18.524 1.00 1.55 C ATOM 2487 CE1 TYR A 199 27.280 4.309 19.045 1.00 1.62 C ATOM 2488 CE2 TYR A 199 26.554 6.584 18.969 1.00 1.85 C ATOM 2489 CZ TYR A 199 27.533 5.651 19.228 1.00 1.48 C ATOM 2490 OH TYR A 199 28.770 6.062 19.668 1.00 1.91 O ATOM 0 H TYR A 199 23.735 1.792 17.395 1.00 0.20 H new ATOM 0 HA TYR A 199 23.211 3.497 19.745 1.00 0.20 H new ATOM 0 HB2 TYR A 199 23.773 4.008 16.815 1.00 0.24 H new ATOM 0 HB3 TYR A 199 23.008 5.237 17.803 1.00 0.24 H new ATOM 0 HD1 TYR A 199 25.841 2.847 18.461 1.00 1.35 H new ATOM 0 HD2 TYR A 199 24.548 6.904 18.322 1.00 1.55 H new ATOM 0 HE1 TYR A 199 28.050 3.580 19.248 1.00 1.62 H new ATOM 0 HE2 TYR A 199 26.755 7.635 19.113 1.00 1.85 H new ATOM 0 HH TYR A 199 28.782 7.039 19.743 1.00 1.91 H new ATOM 2500 N GLY A 200 20.834 2.304 19.066 1.00 0.22 N ATOM 2501 CA GLY A 200 19.394 2.199 18.905 1.00 0.22 C ATOM 2502 C GLY A 200 18.672 1.989 20.223 1.00 0.21 C ATOM 2503 O GLY A 200 19.286 1.626 21.224 1.00 0.32 O ATOM 0 H GLY A 200 21.251 1.595 19.669 1.00 0.22 H new ATOM 0 HA2 GLY A 200 19.018 3.105 18.430 1.00 0.22 H new ATOM 0 HA3 GLY A 200 19.167 1.370 18.235 1.00 0.22 H new ATOM 2507 N ASN A 201 17.362 2.219 20.219 1.00 0.10 N ATOM 2508 CA ASN A 201 16.548 2.054 21.420 1.00 0.09 C ATOM 2509 C ASN A 201 16.918 0.774 22.161 1.00 0.10 C ATOM 2510 O ASN A 201 17.726 0.793 23.090 1.00 0.19 O ATOM 2511 CB ASN A 201 15.063 2.030 21.054 1.00 0.11 C ATOM 2512 CG ASN A 201 14.500 3.419 20.826 1.00 1.32 C ATOM 2513 OD1 ASN A 201 15.161 4.281 20.248 1.00 2.24 O ATOM 2514 ND2 ASN A 201 13.273 3.642 21.281 1.00 2.00 N ATOM 0 H ASN A 201 16.840 2.521 19.396 1.00 0.10 H new ATOM 0 HA ASN A 201 16.743 2.901 22.077 1.00 0.09 H new ATOM 0 HB2 ASN A 201 14.924 1.432 20.153 1.00 0.11 H new ATOM 0 HB3 ASN A 201 14.503 1.541 21.851 1.00 0.11 H new ATOM 0 HD21 ASN A 201 12.842 4.558 21.157 1.00 2.00 H new ATOM 0 HD22 ASN A 201 12.761 2.897 21.755 1.00 2.00 H new ATOM 2521 N ASN A 202 16.318 -0.337 21.744 1.00 0.08 N ATOM 2522 CA ASN A 202 16.581 -1.629 22.367 1.00 0.08 C ATOM 2523 C ASN A 202 18.042 -1.739 22.785 1.00 0.06 C ATOM 2524 O ASN A 202 18.364 -2.361 23.797 1.00 0.09 O ATOM 2525 CB ASN A 202 16.227 -2.763 21.403 1.00 0.08 C ATOM 2526 CG ASN A 202 17.105 -3.983 21.600 1.00 1.36 C ATOM 2527 OD1 ASN A 202 17.883 -4.351 20.719 1.00 2.15 O ATOM 2528 ND2 ASN A 202 16.985 -4.619 22.759 1.00 2.22 N ATOM 0 H ASN A 202 15.646 -0.368 20.977 1.00 0.08 H new ATOM 0 HA ASN A 202 15.958 -1.712 23.258 1.00 0.08 H new ATOM 0 HB2 ASN A 202 15.183 -3.043 21.544 1.00 0.08 H new ATOM 0 HB3 ASN A 202 16.327 -2.409 20.377 1.00 0.08 H new ATOM 0 HD21 ASN A 202 17.550 -5.447 22.947 1.00 2.22 H new ATOM 0 HD22 ASN A 202 16.328 -4.280 23.461 1.00 2.22 H new ATOM 2535 N ALA A 203 18.920 -1.127 22.001 1.00 0.05 N ATOM 2536 CA ALA A 203 20.347 -1.150 22.290 1.00 0.06 C ATOM 2537 C ALA A 203 20.675 -0.249 23.475 1.00 0.06 C ATOM 2538 O ALA A 203 21.385 -0.652 24.397 1.00 0.10 O ATOM 2539 CB ALA A 203 21.137 -0.723 21.065 1.00 0.07 C ATOM 0 H ALA A 203 18.668 -0.608 21.160 1.00 0.05 H new ATOM 0 HA ALA A 203 20.628 -2.170 22.551 1.00 0.06 H new ATOM 0 HB1 ALA A 203 22.203 -0.744 21.294 1.00 0.07 H new ATOM 0 HB2 ALA A 203 20.929 -1.406 20.242 1.00 0.07 H new ATOM 0 HB3 ALA A 203 20.847 0.288 20.780 1.00 0.07 H new ATOM 2545 N ALA A 204 20.149 0.972 23.447 1.00 0.04 N ATOM 2546 CA ALA A 204 20.383 1.928 24.520 1.00 0.04 C ATOM 2547 C ALA A 204 20.060 1.308 25.874 1.00 0.04 C ATOM 2548 O ALA A 204 20.882 1.327 26.789 1.00 0.07 O ATOM 2549 CB ALA A 204 19.554 3.185 24.298 1.00 0.05 C ATOM 0 H ALA A 204 19.558 1.321 22.692 1.00 0.04 H new ATOM 0 HA ALA A 204 21.438 2.201 24.513 1.00 0.04 H new ATOM 0 HB1 ALA A 204 19.739 3.891 25.108 1.00 0.05 H new ATOM 0 HB2 ALA A 204 19.833 3.641 23.348 1.00 0.05 H new ATOM 0 HB3 ALA A 204 18.496 2.924 24.279 1.00 0.05 H new ATOM 2555 N ALA A 205 18.859 0.752 25.991 1.00 0.04 N ATOM 2556 CA ALA A 205 18.431 0.118 27.230 1.00 0.04 C ATOM 2557 C ALA A 205 19.338 -1.058 27.570 1.00 0.04 C ATOM 2558 O ALA A 205 19.706 -1.259 28.727 1.00 0.05 O ATOM 2559 CB ALA A 205 16.985 -0.340 27.118 1.00 0.04 C ATOM 0 H ALA A 205 18.166 0.728 25.243 1.00 0.04 H new ATOM 0 HA ALA A 205 18.502 0.850 28.035 1.00 0.04 H new ATOM 0 HB1 ALA A 205 16.679 -0.812 28.052 1.00 0.04 H new ATOM 0 HB2 ALA A 205 16.345 0.520 26.920 1.00 0.04 H new ATOM 0 HB3 ALA A 205 16.893 -1.057 26.302 1.00 0.04 H new ATOM 2565 N GLU A 206 19.700 -1.828 26.549 1.00 0.05 N ATOM 2566 CA GLU A 206 20.572 -2.981 26.732 1.00 0.05 C ATOM 2567 C GLU A 206 21.878 -2.561 27.397 1.00 0.06 C ATOM 2568 O GLU A 206 22.355 -3.215 28.324 1.00 0.12 O ATOM 2569 CB GLU A 206 20.855 -3.648 25.382 1.00 0.06 C ATOM 2570 CG GLU A 206 22.089 -4.535 25.381 1.00 1.37 C ATOM 2571 CD GLU A 206 21.853 -5.862 26.075 1.00 2.08 C ATOM 2572 OE1 GLU A 206 21.234 -6.753 25.455 1.00 2.71 O ATOM 2573 OE2 GLU A 206 22.284 -6.010 27.237 1.00 2.69 O ATOM 0 H GLU A 206 19.402 -1.674 25.586 1.00 0.05 H new ATOM 0 HA GLU A 206 20.069 -3.698 27.380 1.00 0.05 H new ATOM 0 HB2 GLU A 206 19.990 -4.245 25.094 1.00 0.06 H new ATOM 0 HB3 GLU A 206 20.975 -2.874 24.623 1.00 0.06 H new ATOM 0 HG2 GLU A 206 22.400 -4.717 24.352 1.00 1.37 H new ATOM 0 HG3 GLU A 206 22.908 -4.012 25.874 1.00 1.37 H new ATOM 2580 N SER A 207 22.447 -1.460 26.918 1.00 0.05 N ATOM 2581 CA SER A 207 23.695 -0.943 27.465 1.00 0.05 C ATOM 2582 C SER A 207 23.560 -0.680 28.962 1.00 0.05 C ATOM 2583 O SER A 207 24.378 -1.140 29.759 1.00 0.06 O ATOM 2584 CB SER A 207 24.097 0.343 26.742 1.00 0.05 C ATOM 2585 OG SER A 207 25.402 0.751 27.112 1.00 1.29 O ATOM 0 H SER A 207 22.063 -0.908 26.151 1.00 0.05 H new ATOM 0 HA SER A 207 24.471 -1.693 27.314 1.00 0.05 H new ATOM 0 HB2 SER A 207 24.054 0.186 25.664 1.00 0.05 H new ATOM 0 HB3 SER A 207 23.385 1.134 26.978 1.00 0.05 H new ATOM 0 HG SER A 207 25.635 1.574 26.634 1.00 1.29 H new ATOM 2591 N ARG A 208 22.521 0.061 29.337 1.00 0.04 N ATOM 2592 CA ARG A 208 22.280 0.380 30.740 1.00 0.05 C ATOM 2593 C ARG A 208 22.221 -0.895 31.578 1.00 0.07 C ATOM 2594 O ARG A 208 22.864 -0.990 32.623 1.00 0.15 O ATOM 2595 CB ARG A 208 20.985 1.182 30.889 1.00 0.07 C ATOM 2596 CG ARG A 208 20.947 2.435 30.028 1.00 1.26 C ATOM 2597 CD ARG A 208 21.032 3.701 30.870 1.00 1.90 C ATOM 2598 NE ARG A 208 21.276 4.888 30.053 1.00 2.51 N ATOM 2599 CZ ARG A 208 20.897 6.115 30.401 1.00 3.26 C ATOM 2600 NH1 ARG A 208 20.267 6.317 31.551 1.00 3.73 N ATOM 2601 NH2 ARG A 208 21.149 7.142 29.600 1.00 3.95 N ATOM 0 H ARG A 208 21.835 0.451 28.691 1.00 0.04 H new ATOM 0 HA ARG A 208 23.108 0.989 31.103 1.00 0.05 H new ATOM 0 HB2 ARG A 208 20.140 0.545 30.628 1.00 0.07 H new ATOM 0 HB3 ARG A 208 20.860 1.465 31.934 1.00 0.07 H new ATOM 0 HG2 ARG A 208 21.774 2.414 29.318 1.00 1.26 H new ATOM 0 HG3 ARG A 208 20.027 2.447 29.444 1.00 1.26 H new ATOM 0 HD2 ARG A 208 20.104 3.829 31.427 1.00 1.90 H new ATOM 0 HD3 ARG A 208 21.831 3.595 31.603 1.00 1.90 H new ATOM 0 HE ARG A 208 21.765 4.769 29.166 1.00 2.51 H new ATOM 0 HH11 ARG A 208 20.072 5.531 32.171 1.00 3.73 H new ATOM 0 HH12 ARG A 208 19.978 7.259 31.815 1.00 3.73 H new ATOM 0 HH21 ARG A 208 21.634 6.992 28.715 1.00 3.95 H new ATOM 0 HH22 ARG A 208 20.858 8.082 29.869 1.00 3.95 H new ATOM 2615 N LYS A 209 21.461 -1.880 31.103 1.00 0.07 N ATOM 2616 CA LYS A 209 21.341 -3.157 31.802 1.00 0.06 C ATOM 2617 C LYS A 209 22.689 -3.543 32.401 1.00 0.07 C ATOM 2618 O LYS A 209 22.799 -3.814 33.597 1.00 0.16 O ATOM 2619 CB LYS A 209 20.870 -4.244 30.829 1.00 0.08 C ATOM 2620 CG LYS A 209 20.144 -5.433 31.464 1.00 1.22 C ATOM 2621 CD LYS A 209 20.169 -5.421 32.988 1.00 2.03 C ATOM 2622 CE LYS A 209 18.866 -4.887 33.561 1.00 2.75 C ATOM 2623 NZ LYS A 209 17.720 -5.796 33.278 1.00 3.75 N ATOM 0 H LYS A 209 20.921 -1.818 30.240 1.00 0.07 H new ATOM 0 HA LYS A 209 20.608 -3.059 32.603 1.00 0.06 H new ATOM 0 HB2 LYS A 209 20.207 -3.786 30.095 1.00 0.08 H new ATOM 0 HB3 LYS A 209 21.737 -4.619 30.285 1.00 0.08 H new ATOM 0 HG2 LYS A 209 19.108 -5.438 31.126 1.00 1.22 H new ATOM 0 HG3 LYS A 209 20.599 -6.358 31.109 1.00 1.22 H new ATOM 0 HD2 LYS A 209 20.344 -6.431 33.358 1.00 2.03 H new ATOM 0 HD3 LYS A 209 21.000 -4.806 33.335 1.00 2.03 H new ATOM 0 HE2 LYS A 209 18.969 -4.758 34.638 1.00 2.75 H new ATOM 0 HE3 LYS A 209 18.661 -3.903 33.140 1.00 2.75 H new ATOM 0 HZ1 LYS A 209 16.973 -5.643 33.985 1.00 3.75 H new ATOM 0 HZ2 LYS A 209 17.344 -5.596 32.329 1.00 3.75 H new ATOM 0 HZ3 LYS A 209 18.042 -6.784 33.322 1.00 3.75 H new ATOM 2637 N GLY A 210 23.716 -3.554 31.558 1.00 0.08 N ATOM 2638 CA GLY A 210 25.049 -3.895 32.015 1.00 0.08 C ATOM 2639 C GLY A 210 25.554 -2.936 33.076 1.00 0.06 C ATOM 2640 O GLY A 210 25.734 -3.318 34.232 1.00 0.07 O ATOM 0 H GLY A 210 23.648 -3.332 30.565 1.00 0.08 H new ATOM 0 HA2 GLY A 210 25.046 -4.909 32.416 1.00 0.08 H new ATOM 0 HA3 GLY A 210 25.734 -3.890 31.167 1.00 0.08 H new ATOM 2644 N GLN A 211 25.781 -1.685 32.683 1.00 0.06 N ATOM 2645 CA GLN A 211 26.266 -0.671 33.611 1.00 0.06 C ATOM 2646 C GLN A 211 25.594 -0.819 34.971 1.00 0.06 C ATOM 2647 O GLN A 211 26.242 -1.172 35.956 1.00 0.09 O ATOM 2648 CB GLN A 211 26.018 0.732 33.053 1.00 0.07 C ATOM 2649 CG GLN A 211 27.277 1.578 32.964 1.00 1.23 C ATOM 2650 CD GLN A 211 27.052 2.887 32.231 1.00 1.99 C ATOM 2651 OE1 GLN A 211 27.928 3.366 31.511 1.00 2.46 O ATOM 2652 NE2 GLN A 211 25.874 3.473 32.412 1.00 2.82 N ATOM 0 H GLN A 211 25.637 -1.351 31.730 1.00 0.06 H new ATOM 0 HA GLN A 211 27.339 -0.813 33.736 1.00 0.06 H new ATOM 0 HB2 GLN A 211 25.575 0.647 32.060 1.00 0.07 H new ATOM 0 HB3 GLN A 211 25.290 1.242 33.684 1.00 0.07 H new ATOM 0 HG2 GLN A 211 27.641 1.787 33.970 1.00 1.23 H new ATOM 0 HG3 GLN A 211 28.056 1.010 32.455 1.00 1.23 H new ATOM 0 HE21 GLN A 211 25.177 3.040 33.018 1.00 2.82 H new ATOM 0 HE22 GLN A 211 25.666 4.356 31.945 1.00 2.82 H new ATOM 2661 N GLU A 212 24.290 -0.558 35.022 1.00 0.04 N ATOM 2662 CA GLU A 212 23.545 -0.678 36.269 1.00 0.04 C ATOM 2663 C GLU A 212 23.968 -1.939 37.011 1.00 0.05 C ATOM 2664 O GLU A 212 23.910 -2.001 38.239 1.00 0.07 O ATOM 2665 CB GLU A 212 22.039 -0.711 35.997 1.00 0.04 C ATOM 2666 CG GLU A 212 21.201 -0.912 37.249 1.00 1.36 C ATOM 2667 CD GLU A 212 21.786 -0.211 38.459 1.00 2.13 C ATOM 2668 OE1 GLU A 212 21.872 1.035 38.439 1.00 2.48 O ATOM 2669 OE2 GLU A 212 22.159 -0.907 39.427 1.00 3.00 O ATOM 0 H GLU A 212 23.732 -0.264 34.220 1.00 0.04 H new ATOM 0 HA GLU A 212 23.766 0.192 36.888 1.00 0.04 H new ATOM 0 HB2 GLU A 212 21.744 0.222 35.518 1.00 0.04 H new ATOM 0 HB3 GLU A 212 21.823 -1.514 35.292 1.00 0.04 H new ATOM 0 HG2 GLU A 212 20.192 -0.540 37.070 1.00 1.36 H new ATOM 0 HG3 GLU A 212 21.115 -1.978 37.457 1.00 1.36 H new ATOM 2676 N ARG A 213 24.403 -2.939 36.252 1.00 0.04 N ATOM 2677 CA ARG A 213 24.850 -4.199 36.827 1.00 0.04 C ATOM 2678 C ARG A 213 26.265 -4.061 37.376 1.00 0.04 C ATOM 2679 O ARG A 213 26.500 -4.239 38.571 1.00 0.06 O ATOM 2680 CB ARG A 213 24.803 -5.308 35.776 1.00 0.05 C ATOM 2681 CG ARG A 213 24.155 -6.589 36.273 1.00 1.12 C ATOM 2682 CD ARG A 213 25.193 -7.567 36.799 1.00 1.92 C ATOM 2683 NE ARG A 213 24.991 -8.914 36.275 1.00 2.51 N ATOM 2684 CZ ARG A 213 25.332 -9.287 35.046 1.00 3.24 C ATOM 2685 NH1 ARG A 213 25.885 -8.416 34.212 1.00 3.64 N ATOM 2686 NH2 ARG A 213 25.120 -10.533 34.647 1.00 4.02 N ATOM 0 H ARG A 213 24.455 -2.899 35.234 1.00 0.04 H new ATOM 0 HA ARG A 213 24.180 -4.461 37.646 1.00 0.04 H new ATOM 0 HB2 ARG A 213 24.256 -4.948 34.904 1.00 0.05 H new ATOM 0 HB3 ARG A 213 25.818 -5.528 35.447 1.00 0.05 H new ATOM 0 HG2 ARG A 213 23.441 -6.355 37.062 1.00 1.12 H new ATOM 0 HG3 ARG A 213 23.594 -7.053 35.462 1.00 1.12 H new ATOM 0 HD2 ARG A 213 26.190 -7.218 36.528 1.00 1.92 H new ATOM 0 HD3 ARG A 213 25.149 -7.591 37.888 1.00 1.92 H new ATOM 0 HE ARG A 213 24.564 -9.609 36.887 1.00 2.51 H new ATOM 0 HH11 ARG A 213 26.050 -7.456 34.513 1.00 3.64 H new ATOM 0 HH12 ARG A 213 26.145 -8.707 33.270 1.00 3.64 H new ATOM 0 HH21 ARG A 213 24.695 -11.207 35.284 1.00 4.02 H new ATOM 0 HH22 ARG A 213 25.382 -10.818 33.703 1.00 4.02 H new ATOM 2700 N LEU A 214 27.204 -3.731 36.494 1.00 0.04 N ATOM 2701 CA LEU A 214 28.596 -3.557 36.889 1.00 0.04 C ATOM 2702 C LEU A 214 28.683 -2.792 38.204 1.00 0.04 C ATOM 2703 O LEU A 214 29.247 -3.279 39.184 1.00 0.06 O ATOM 2704 CB LEU A 214 29.367 -2.810 35.800 1.00 0.04 C ATOM 2705 CG LEU A 214 30.738 -3.395 35.457 1.00 1.03 C ATOM 2706 CD1 LEU A 214 31.542 -2.415 34.618 1.00 1.91 C ATOM 2707 CD2 LEU A 214 31.493 -3.758 36.727 1.00 1.85 C ATOM 0 H LEU A 214 27.025 -3.579 35.501 1.00 0.04 H new ATOM 0 HA LEU A 214 29.042 -4.542 37.025 1.00 0.04 H new ATOM 0 HB2 LEU A 214 28.760 -2.792 34.895 1.00 0.04 H new ATOM 0 HB3 LEU A 214 29.500 -1.775 36.116 1.00 0.04 H new ATOM 0 HG LEU A 214 30.590 -4.303 34.873 1.00 1.03 H new ATOM 0 HD11 LEU A 214 32.514 -2.849 34.384 1.00 1.91 H new ATOM 0 HD12 LEU A 214 31.007 -2.204 33.692 1.00 1.91 H new ATOM 0 HD13 LEU A 214 31.683 -1.489 35.175 1.00 1.91 H new ATOM 0 HD21 LEU A 214 32.466 -4.173 36.466 1.00 1.85 H new ATOM 0 HD22 LEU A 214 31.631 -2.865 37.336 1.00 1.85 H new ATOM 0 HD23 LEU A 214 30.923 -4.497 37.290 1.00 1.85 H new ATOM 2719 N GLU A 215 28.114 -1.591 38.216 1.00 0.05 N ATOM 2720 CA GLU A 215 28.118 -0.755 39.409 1.00 0.05 C ATOM 2721 C GLU A 215 27.738 -1.572 40.639 1.00 0.05 C ATOM 2722 O GLU A 215 28.365 -1.459 41.692 1.00 0.05 O ATOM 2723 CB GLU A 215 27.147 0.414 39.237 1.00 0.05 C ATOM 2724 CG GLU A 215 26.798 1.115 40.539 1.00 1.38 C ATOM 2725 CD GLU A 215 26.991 2.616 40.461 1.00 2.19 C ATOM 2726 OE1 GLU A 215 28.156 3.066 40.484 1.00 2.91 O ATOM 2727 OE2 GLU A 215 25.978 3.341 40.376 1.00 2.74 O ATOM 0 H GLU A 215 27.644 -1.175 37.412 1.00 0.05 H new ATOM 0 HA GLU A 215 29.125 -0.363 39.551 1.00 0.05 H new ATOM 0 HB2 GLU A 215 27.583 1.139 38.550 1.00 0.05 H new ATOM 0 HB3 GLU A 215 26.230 0.048 38.775 1.00 0.05 H new ATOM 0 HG2 GLU A 215 25.762 0.898 40.798 1.00 1.38 H new ATOM 0 HG3 GLU A 215 27.417 0.714 41.341 1.00 1.38 H new ATOM 2734 N HIS A 216 26.708 -2.399 40.494 1.00 0.04 N ATOM 2735 CA HIS A 216 26.243 -3.239 41.590 1.00 0.04 C ATOM 2736 C HIS A 216 27.354 -4.168 42.068 1.00 0.04 C ATOM 2737 O HIS A 216 27.433 -4.501 43.251 1.00 0.05 O ATOM 2738 CB HIS A 216 25.030 -4.060 41.150 1.00 0.05 C ATOM 2739 CG HIS A 216 24.107 -4.413 42.274 1.00 1.09 C ATOM 2740 ND1 HIS A 216 24.284 -5.523 43.073 1.00 2.18 N ATOM 2741 CD2 HIS A 216 22.993 -3.795 42.733 1.00 1.80 C ATOM 2742 CE1 HIS A 216 23.318 -5.573 43.974 1.00 2.87 C ATOM 2743 NE2 HIS A 216 22.523 -4.536 43.789 1.00 2.60 N ATOM 0 H HIS A 216 26.180 -2.505 39.628 1.00 0.04 H new ATOM 0 HA HIS A 216 25.953 -2.591 42.417 1.00 0.04 H new ATOM 0 HB2 HIS A 216 24.475 -3.499 40.398 1.00 0.05 H new ATOM 0 HB3 HIS A 216 25.376 -4.977 40.673 1.00 0.05 H new ATOM 0 HD2 HIS A 216 22.556 -2.888 42.341 1.00 1.80 H new ATOM 0 HE1 HIS A 216 23.200 -6.333 44.732 1.00 2.87 H new ATOM 0 HE2 HIS A 216 21.693 -4.320 44.341 1.00 2.60 H new ATOM 2751 N HIS A 217 28.212 -4.582 41.142 1.00 0.04 N ATOM 2752 CA HIS A 217 29.319 -5.470 41.470 1.00 0.04 C ATOM 2753 C HIS A 217 30.315 -4.774 42.390 1.00 0.04 C ATOM 2754 O HIS A 217 30.398 -5.082 43.578 1.00 0.05 O ATOM 2755 CB HIS A 217 30.022 -5.938 40.195 1.00 0.04 C ATOM 2756 CG HIS A 217 29.859 -7.402 39.928 1.00 1.33 C ATOM 2757 ND1 HIS A 217 29.229 -7.898 38.805 1.00 2.42 N ATOM 2758 CD2 HIS A 217 30.245 -8.482 40.648 1.00 2.21 C ATOM 2759 CE1 HIS A 217 29.234 -9.219 38.848 1.00 3.37 C ATOM 2760 NE2 HIS A 217 29.845 -9.598 39.955 1.00 3.23 N ATOM 0 H HIS A 217 28.161 -4.316 40.159 1.00 0.04 H new ATOM 0 HA HIS A 217 28.915 -6.339 41.990 1.00 0.04 H new ATOM 0 HB2 HIS A 217 29.631 -5.376 39.347 1.00 0.04 H new ATOM 0 HB3 HIS A 217 31.084 -5.706 40.269 1.00 0.04 H new ATOM 0 HD2 HIS A 217 30.770 -8.468 41.592 1.00 2.21 H new ATOM 0 HE1 HIS A 217 28.810 -9.877 38.104 1.00 3.37 H new ATOM 0 HE2 HIS A 217 29.996 -10.563 40.248 1.00 3.23 H new ATOM 2768 N HIS A 218 31.068 -3.832 41.834 1.00 0.04 N ATOM 2769 CA HIS A 218 32.056 -3.091 42.609 1.00 0.04 C ATOM 2770 C HIS A 218 31.512 -2.742 43.990 1.00 0.04 C ATOM 2771 O HIS A 218 32.244 -2.759 44.980 1.00 0.05 O ATOM 2772 CB HIS A 218 32.461 -1.814 41.872 1.00 0.04 C ATOM 2773 CG HIS A 218 32.611 -0.632 42.775 1.00 1.05 C ATOM 2774 ND1 HIS A 218 33.423 -0.634 43.890 1.00 2.14 N ATOM 2775 CD2 HIS A 218 32.047 0.599 42.726 1.00 1.71 C ATOM 2776 CE1 HIS A 218 33.352 0.541 44.488 1.00 2.80 C ATOM 2777 NE2 HIS A 218 32.524 1.307 43.801 1.00 2.49 N ATOM 0 H HIS A 218 31.014 -3.564 40.851 1.00 0.04 H new ATOM 0 HA HIS A 218 32.934 -3.725 42.732 1.00 0.04 H new ATOM 0 HB2 HIS A 218 33.403 -1.987 41.351 1.00 0.04 H new ATOM 0 HB3 HIS A 218 31.713 -1.589 41.112 1.00 0.04 H new ATOM 0 HD1 HIS A 218 33.990 -1.421 44.204 1.00 2.14 H new ATOM 0 HD2 HIS A 218 31.352 0.956 41.981 1.00 1.71 H new ATOM 0 HE1 HIS A 218 33.881 0.827 45.385 1.00 2.80 H new ATOM 2785 N HIS A 219 30.223 -2.423 44.050 1.00 0.05 N ATOM 2786 CA HIS A 219 29.581 -2.068 45.310 1.00 0.05 C ATOM 2787 C HIS A 219 29.582 -3.248 46.276 1.00 0.05 C ATOM 2788 O HIS A 219 29.995 -3.118 47.428 1.00 0.06 O ATOM 2789 CB HIS A 219 28.147 -1.597 45.062 1.00 0.06 C ATOM 2790 CG HIS A 219 27.648 -0.636 46.097 1.00 1.14 C ATOM 2791 ND1 HIS A 219 26.327 -0.253 46.195 1.00 2.11 N ATOM 2792 CD2 HIS A 219 28.303 0.020 47.084 1.00 2.05 C ATOM 2793 CE1 HIS A 219 26.191 0.597 47.197 1.00 2.87 C ATOM 2794 NE2 HIS A 219 27.375 0.779 47.753 1.00 2.82 N ATOM 0 H HIS A 219 29.603 -2.403 43.241 1.00 0.05 H new ATOM 0 HA HIS A 219 30.150 -1.255 45.760 1.00 0.05 H new ATOM 0 HB2 HIS A 219 28.093 -1.124 44.082 1.00 0.06 H new ATOM 0 HB3 HIS A 219 27.487 -2.464 45.034 1.00 0.06 H new ATOM 0 HD2 HIS A 219 29.359 -0.042 47.304 1.00 2.05 H new ATOM 0 HE1 HIS A 219 25.268 1.064 47.509 1.00 2.87 H new ATOM 0 HE2 HIS A 219 27.569 1.385 48.550 1.00 2.82 H new ATOM 2802 N HIS A 220 29.120 -4.400 45.799 1.00 0.05 N ATOM 2803 CA HIS A 220 29.072 -5.602 46.624 1.00 0.05 C ATOM 2804 C HIS A 220 30.477 -6.131 46.891 1.00 0.05 C ATOM 2805 O HIS A 220 30.736 -6.737 47.931 1.00 0.05 O ATOM 2806 CB HIS A 220 28.229 -6.685 45.944 1.00 0.05 C ATOM 2807 CG HIS A 220 28.599 -8.075 46.359 1.00 1.15 C ATOM 2808 ND1 HIS A 220 28.646 -9.137 45.480 1.00 2.02 N ATOM 2809 CD2 HIS A 220 28.943 -8.577 47.569 1.00 2.11 C ATOM 2810 CE1 HIS A 220 29.002 -10.230 46.131 1.00 2.82 C ATOM 2811 NE2 HIS A 220 29.189 -9.917 47.399 1.00 2.86 N ATOM 0 H HIS A 220 28.774 -4.526 44.848 1.00 0.05 H new ATOM 0 HA HIS A 220 28.611 -5.340 47.576 1.00 0.05 H new ATOM 0 HB2 HIS A 220 27.177 -6.513 46.173 1.00 0.05 H new ATOM 0 HB3 HIS A 220 28.339 -6.595 44.863 1.00 0.05 H new ATOM 0 HD2 HIS A 220 29.011 -8.026 48.495 1.00 2.11 H new ATOM 0 HE1 HIS A 220 29.120 -11.213 45.699 1.00 2.82 H new ATOM 0 HE2 HIS A 220 29.471 -10.566 48.134 1.00 2.86 H new ATOM 2819 N HIS A 221 31.381 -5.897 45.945 1.00 0.05 N ATOM 2820 CA HIS A 221 32.761 -6.348 46.076 1.00 0.05 C ATOM 2821 C HIS A 221 33.337 -5.950 47.431 1.00 0.05 C ATOM 2822 O HIS A 221 33.200 -4.766 47.805 1.00 1.06 O ATOM 2823 CB HIS A 221 33.617 -5.760 44.954 1.00 0.05 C ATOM 2824 CG HIS A 221 34.967 -6.396 44.830 1.00 1.06 C ATOM 2825 ND1 HIS A 221 35.151 -7.760 44.750 1.00 2.13 N ATOM 2826 CD2 HIS A 221 36.204 -5.847 44.768 1.00 1.82 C ATOM 2827 CE1 HIS A 221 36.442 -8.023 44.646 1.00 2.81 C ATOM 2828 NE2 HIS A 221 37.102 -6.880 44.653 1.00 2.57 N ATOM 2829 OXT HIS A 221 33.918 -6.825 48.106 1.00 1.09 O ATOM 0 H HIS A 221 31.182 -5.397 45.079 1.00 0.05 H new ATOM 0 HA HIS A 221 32.771 -7.435 46.002 1.00 0.05 H new ATOM 0 HB2 HIS A 221 33.086 -5.869 44.009 1.00 0.05 H new ATOM 0 HB3 HIS A 221 33.743 -4.691 45.127 1.00 0.05 H new ATOM 0 HD2 HIS A 221 36.440 -4.794 44.803 1.00 1.82 H new ATOM 0 HE1 HIS A 221 36.882 -9.006 44.568 1.00 2.81 H new ATOM 0 HE2 HIS A 221 38.115 -6.780 44.584 1.00 2.57 H new TER 2837 HIS A 221 HETATM 2838 C8 43B A1000 31.655 19.455 4.547 1.00 1.35 C HETATM 2839 C9 43B A1000 31.728 17.980 4.977 1.00 0.93 C HETATM 2840 C10 43B A1000 31.134 17.734 6.339 1.00 0.83 C HETATM 2841 S11 43B A1000 30.208 18.978 7.251 1.00 0.88 S HETATM 2842 C12 43B A1000 30.008 17.836 8.494 1.00 0.73 C HETATM 2843 C13 43B A1000 30.630 16.616 8.169 1.00 0.65 C HETATM 2844 N14 43B A1000 31.260 16.606 6.926 1.00 0.73 N HETATM 2845 C15 43B A1000 30.557 15.552 9.100 1.00 0.54 C HETATM 2846 C16 43B A1000 29.872 15.715 10.338 1.00 0.50 C HETATM 2847 C17 43B A1000 29.271 16.981 10.590 1.00 0.62 C HETATM 2848 C18 43B A1000 29.328 18.039 9.693 1.00 0.74 C HETATM 2849 C19 43B A1000 29.782 14.680 11.286 1.00 0.42 C HETATM 2850 C20 43B A1000 30.568 13.506 11.207 1.00 0.70 C HETATM 2851 C21 43B A1000 30.469 12.502 12.166 1.00 0.60 C HETATM 2852 C22 43B A1000 29.578 12.625 13.246 1.00 0.37 C HETATM 2853 C23 43B A1000 28.797 13.779 13.331 1.00 0.63 C HETATM 2854 C24 43B A1000 28.894 14.779 12.378 1.00 0.55 C HETATM 2855 C25 43B A1000 29.393 11.587 14.347 1.00 0.44 C HETATM 2856 N26 43B A1000 30.093 10.452 14.353 1.00 0.42 N HETATM 2857 S27 43B A1000 29.932 9.255 15.553 1.00 0.43 S HETATM 2858 C28 43B A1000 28.339 9.236 16.307 1.00 0.36 C HETATM 2859 O29 43B A1000 28.600 11.750 15.268 1.00 0.83 O HETATM 2860 O30 43B A1000 30.200 7.928 14.733 1.00 0.47 O HETATM 2861 O31 43B A1000 31.103 9.469 16.607 1.00 0.58 O HETATM 2862 C32 43B A1000 27.357 8.389 15.810 1.00 0.31 C HETATM 2863 C33 43B A1000 26.069 8.379 16.376 1.00 0.31 C HETATM 2864 C34 43B A1000 25.797 9.252 17.471 1.00 0.36 C HETATM 2865 C35 43B A1000 26.816 10.088 17.951 1.00 0.41 C HETATM 2866 C36 43B A1000 28.080 10.079 17.377 1.00 0.41 C HETATM 2867 N37 43B A1000 25.067 7.420 15.751 1.00 0.33 N HETATM 2868 O38 43B A1000 25.366 6.698 14.810 1.00 0.32 O HETATM 2869 O39 43B A1000 23.921 7.331 16.163 1.00 0.38 O HETATM 2870 N40 43B A1000 24.474 9.284 18.100 1.00 0.41 N HETATM 2871 C41 43B A1000 23.976 10.089 19.224 1.00 0.49 C HETATM 2872 C42 43B A1000 23.284 11.348 18.714 1.00 0.79 C HETATM 2873 S43 43B A1000 24.423 12.447 17.814 1.00 0.48 S HETATM 2874 C44 43B A1000 24.628 11.973 16.137 1.00 0.24 C HETATM 2875 C45 43B A1000 25.565 12.595 15.310 1.00 1.30 C HETATM 2876 C46 43B A1000 25.691 12.181 13.988 1.00 1.33 C HETATM 2877 C47 43B A1000 24.887 11.156 13.492 1.00 0.50 C HETATM 2878 C48 43B A1000 23.952 10.539 14.329 1.00 1.20 C HETATM 2879 C49 43B A1000 23.820 10.946 15.657 1.00 1.17 C HETATM 2880 C1 43B A1000 30.366 20.038 0.458 1.00 2.01 C HETATM 2881 C2 43B A1000 31.717 19.858 0.739 1.00 2.12 C HETATM 2882 C3 43B A1000 32.135 19.670 2.055 1.00 1.61 C HETATM 2883 C4 43B A1000 31.202 19.661 3.098 1.00 1.09 C HETATM 2884 C5 43B A1000 29.847 19.843 2.805 1.00 1.74 C HETATM 2885 C6 43B A1000 29.431 20.031 1.489 1.00 1.99 C HETATM 0 HR 43B A1000 24.987 10.836 12.455 1.00 0.50 H new HETATM 0 HQ2 43B A1000 23.324 9.737 13.942 1.00 1.20 H new HETATM 0 HQ1 43B A1000 26.422 12.660 13.337 1.00 1.33 H new HETATM 0 HP2 43B A1000 23.093 10.465 16.311 1.00 1.17 H new HETATM 0 HP1 43B A1000 26.192 13.398 15.697 1.00 1.30 H new HETATM 0 HO2 43B A1000 22.460 11.067 18.058 1.00 0.79 H new HETATM 0 HO1 43B A1000 22.851 11.888 19.556 1.00 0.79 H new HETATM 0 HN2 43B A1000 23.279 9.500 19.820 1.00 0.49 H new HETATM 0 HN1 43B A1000 24.804 10.362 19.879 1.00 0.49 H new HETATM 0 HM 43B A1000 28.863 10.730 17.765 1.00 0.41 H new HETATM 0 HL 43B A1000 26.612 10.755 18.788 1.00 0.41 H new HETATM 0 HK 43B A1000 27.586 7.727 14.975 1.00 0.31 H new HETATM 0 HJ2 43B A1000 28.100 13.895 14.161 1.00 0.63 H new HETATM 0 HJ1 43B A1000 31.090 11.610 12.078 1.00 0.60 H new HETATM 0 HI2 43B A1000 28.268 15.666 12.474 1.00 0.55 H new HETATM 0 HI1 43B A1000 31.265 13.385 10.378 1.00 0.70 H new HETATM 0 HH 43B A1000 28.857 18.996 9.919 1.00 0.74 H new HETATM 0 HG 43B A1000 28.741 17.126 11.531 1.00 0.62 H new HETATM 0 HF 43B A1000 31.030 14.598 8.867 1.00 0.54 H new HETATM 0 HE2 43B A1000 31.205 17.367 4.243 1.00 0.93 H new HETATM 0 HE1 43B A1000 32.770 17.659 4.977 1.00 0.93 H new HETATM 0 HD2 43B A1000 30.969 19.982 5.210 1.00 1.35 H new HETATM 0 HD1 43B A1000 32.637 19.910 4.678 1.00 1.35 H new HETATM 0 HC2 43B A1000 29.113 19.838 3.610 1.00 1.74 H new HETATM 0 HC1 43B A1000 33.194 19.529 2.273 1.00 1.61 H new HETATM 0 HB2 43B A1000 28.373 20.173 1.267 1.00 1.99 H new HETATM 0 HB1 43B A1000 32.448 19.864 -0.070 1.00 2.12 H new HETATM 0 HA 43B A1000 30.039 20.185 -0.572 1.00 2.01 H new HETATM 0 H40 43B A1000 23.790 8.646 17.693 1.00 0.41 H new HETATM 0 H26 43B A1000 30.760 10.292 13.598 1.00 0.42 H new CONECT 2838 2839 2883 2886 2887 CONECT 2839 2838 2840 2888 2889 CONECT 2840 2839 2841 2844 CONECT 2841 2840 2842 CONECT 2842 2841 2843 2848 CONECT 2843 2842 2844 2845 CONECT 2844 2840 2843 CONECT 2845 2843 2846 2890 CONECT 2846 2845 2847 2849 CONECT 2847 2846 2848 2891 CONECT 2848 2842 2847 2892 CONECT 2849 2846 2850 2854 CONECT 2850 2849 2851 2893 CONECT 2851 2850 2852 2894 CONECT 2852 2851 2853 2855 CONECT 2853 2852 2854 2895 CONECT 2854 2849 2853 2896 CONECT 2855 2852 2856 2859 CONECT 2856 2855 2857 2897 CONECT 2857 2856 2858 2860 2861 CONECT 2858 2857 2862 2866 CONECT 2859 2855 CONECT 2860 2857 CONECT 2861 2857 CONECT 2862 2858 2863 2898 CONECT 2863 2862 2864 2867 CONECT 2864 2863 2865 2870 CONECT 2865 2864 2866 2899 CONECT 2866 2858 2865 2900 CONECT 2867 2863 2868 2869 CONECT 2868 2867 CONECT 2869 2867 CONECT 2870 2864 2871 2901 CONECT 2871 2870 2872 2902 2903 CONECT 2872 2871 2873 2904 2905 CONECT 2873 2872 2874 CONECT 2874 2873 2875 2879 CONECT 2875 2874 2876 2906 CONECT 2876 2875 2877 2907 CONECT 2877 2876 2878 2908 CONECT 2878 2877 2879 2909 CONECT 2879 2874 2878 2910 CONECT 2880 2881 2885 2911 CONECT 2881 2880 2882 2912 CONECT 2882 2881 2883 2913 CONECT 2883 2838 2882 2884 CONECT 2884 2883 2885 2914 CONECT 2885 2880 2884 2915 CONECT 2886 2838 CONECT 2887 2838 CONECT 2888 2839 CONECT 2889 2839 CONECT 2890 2845 CONECT 2891 2847 CONECT 2892 2848 CONECT 2893 2850 CONECT 2894 2851 CONECT 2895 2853 CONECT 2896 2854 CONECT 2897 2856 CONECT 2898 2862 CONECT 2899 2865 CONECT 2900 2866 CONECT 2901 2870 CONECT 2902 2871 CONECT 2903 2871 CONECT 2904 2872 CONECT 2905 2872 CONECT 2906 2875 CONECT 2907 2876 CONECT 2908 2877 CONECT 2909 2878 CONECT 2910 2879 CONECT 2911 2880 CONECT 2912 2881 CONECT 2913 2882 CONECT 2914 2884 CONECT 2915 2885 END