USER MOD reduce.3.24.130724 H: found=0, std=0, add=1297, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1291 hydrogens (30 hets) HEADER APOPTOSIS 09-FEB-05 1YSW TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 TITLE 2 COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-2; COMPND 3 CHAIN: A; COMPND 4 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: BCL2; 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: PET28B 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 17-NOV-09 1YSW 1 REMARK TITLE REVDAT 2 24-FEB-09 1YSW 1 VERSN REVDAT 1 07-JUN-05 1YSW 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 1YSW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB031892. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 8.0 REMARK 210 IONIC STRENGTH : 25 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM BCL-2 U-15N,13C, 25 MM REMARK 210 DEUTERATED TRIS, 1 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HIS A 181 OG1 THR A 184 1.81 REMARK 500 REMARK 500 REMARK: NULL 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 TYR A 7 CE2 TYR A 7 CD2 -0.341 REMARK 500 TYR A 16 CZ TYR A 16 CE2 -0.158 REMARK 500 THR A 184 CB THR A 184 OG1 0.524 REMARK 500 GLY A 200 C GLY A 200 O 0.851 REMARK 500 GLY A 200 C PRO A 201 N -0.247 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 TYR A 7 CG - CD2 - CE2 ANGL. DEV. = -40.1 DEGREES REMARK 500 TYR A 7 OH - CZ - CE2 ANGL. DEV. = 36.7 DEGREES REMARK 500 TYR A 7 CE1 - CZ - CE2 ANGL. DEV. = -37.1 DEGREES REMARK 500 TYR A 7 CZ - CE2 - CD2 ANGL. DEV. = 38.4 DEGREES REMARK 500 TYR A 16 CG - CD2 - CE2 ANGL. DEV. = -34.3 DEGREES REMARK 500 TYR A 16 OH - CZ - CE2 ANGL. DEV. = 27.5 DEGREES REMARK 500 TYR A 16 CE1 - CZ - CE2 ANGL. DEV. = -34.0 DEGREES REMARK 500 TYR A 16 CZ - CE2 - CD2 ANGL. DEV. = 19.2 DEGREES REMARK 500 THR A 184 CA - CB - OG1 ANGL. DEV. = -23.4 DEGREES REMARK 500 GLY A 200 N - CA - C ANGL. DEV. = 31.7 DEGREES REMARK 500 GLY A 200 CA - C - O ANGL. DEV. = -38.3 DEGREES REMARK 500 PRO A 201 CA - C - N ANGL. DEV. = 29.3 DEGREES REMARK 500 PRO A 201 O - C - N ANGL. DEV. = -37.2 DEGREES REMARK 500 PRO A 201 C - N - CA ANGL. DEV. = 33.8 DEGREES REMARK 500 PRO A 201 C - N - CD ANGL. DEV. = -40.6 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 ALA A 2 76.36 -166.09 REMARK 500 ALA A 30 -77.71 -73.52 REMARK 500 GLU A 36 87.68 59.74 REMARK 500 THR A 39 -66.84 69.84 REMARK 500 GLU A 40 32.90 -149.64 REMARK 500 ALA A 41 152.57 67.44 REMARK 500 ARG A 107 35.06 -164.97 REMARK 500 ASP A 108 -70.35 -127.29 REMARK 500 HIS A 117 -168.28 73.36 REMARK 500 THR A 119 144.66 177.49 REMARK 500 ARG A 161 -79.43 -91.14 REMARK 500 GLU A 162 39.61 179.50 REMARK 500 HIS A 181 -67.27 -134.30 REMARK 500 TYR A 199 60.46 -111.27 REMARK 500 PRO A 201 173.47 -11.26 REMARK 500 MET A 203 -80.93 64.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 GLY A 200 PRO A 201 -116.18 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 TYR A 16 0.14 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 GLY A 200 104.76 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: 1G5M RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF SAME PROTEIN, ISOFORM 1, UNCOMPLEXED REMARK 900 RELATED ID: 1GJH RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF SAME PROTEIN, ISOFORM 2, UNCOMPLEXED 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: 1YSN 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 1YSW A 1 32 UNP P10415 BCL2_HUMAN 3 34 DBREF 1YSW A 89 203 UNP P10415 BCL2_HUMAN 91 205 SEQADV 1YSW ASP A 32 UNP P10415 INSERTION SEQADV 1YSW ASP A 33 UNP P10415 INSERTION SEQADV 1YSW VAL A 34 UNP P10415 INSERTION SEQADV 1YSW GLU A 35 UNP P10415 INSERTION SEQADV 1YSW GLU A 36 UNP P10415 INSERTION SEQADV 1YSW ASN A 37 UNP P10415 INSERTION SEQADV 1YSW ARG A 38 UNP P10415 INSERTION SEQADV 1YSW THR A 39 UNP P10415 INSERTION SEQADV 1YSW GLU A 40 UNP P10415 INSERTION SEQADV 1YSW ALA A 41 UNP P10415 INSERTION SEQADV 1YSW PRO A 42 UNP P10415 INSERTION SEQADV 1YSW GLU A 43 UNP P10415 INSERTION SEQADV 1YSW GLY A 44 UNP P10415 INSERTION SEQADV 1YSW THR A 45 UNP P10415 INSERTION SEQADV 1YSW GLU A 46 UNP P10415 INSERTION SEQADV 1YSW SER A 47 UNP P10415 INSERTION SEQADV 1YSW GLU A 48 UNP P10415 INSERTION SEQRES 1 A 164 HIS ALA GLY ARG THR GLY TYR ASP ASN ARG GLU ILE VAL SEQRES 2 A 164 MET LYS TYR ILE HIS TYR LYS LEU SER GLN ARG GLY TYR SEQRES 3 A 164 GLU TRP ASP ALA GLY ASP ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 164 GLU ALA PRO GLU GLY THR GLU SER GLU VAL VAL HIS LEU SEQRES 5 A 164 THR LEU ARG GLN ALA GLY ASP ASP PHE SER ARG ARG TYR SEQRES 6 A 164 ARG ARG ASP PHE ALA GLU MET SER SER GLN LEU HIS LEU SEQRES 7 A 164 THR PRO PHE THR ALA ARG GLY ARG PHE ALA THR VAL VAL SEQRES 8 A 164 GLU GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 164 VAL ALA PHE PHE GLU PHE GLY GLY VAL MET CYS VAL GLU SEQRES 10 A 164 SER VAL ASN ARG GLU MET SER PRO LEU VAL ASP ASN ILE SEQRES 11 A 164 ALA LEU TRP MET THR GLU TYR LEU ASN ARG HIS LEU HIS SEQRES 12 A 164 THR TRP ILE GLN ASP ASN GLY GLY TRP ASP ALA PHE VAL SEQRES 13 A 164 GLU LEU TYR GLY PRO SER MET ARG 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 ASP A 8 GLN A 23 1 16 HELIX 2 2 GLY A 44 TYR A 105 1 22 HELIX 3 3 ASP A 108 HIS A 117 1 10 HELIX 4 4 THR A 119 PHE A 135 1 17 HELIX 5 5 ASN A 140 GLU A 162 1 23 HELIX 6 6 PRO A 165 HIS A 181 1 17 HELIX 7 7 HIS A 181 ASN A 189 1 9 HELIX 8 8 GLY A 191 TYR A 199 1 9 SITE *** AC1 15 ALA A 97 ASP A 100 PHE A 101 TYR A 105 SITE *** AC1 15 PHE A 109 MET A 112 GLU A 133 LEU A 134 SITE *** AC1 15 TRP A 141 GLY A 142 VAL A 145 ALA A 146 SITE *** AC1 15 PHE A 150 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 16 TYR OH : rot 80:sc= -0.605 USER MOD Set 1.2: A 20 LYS NZ :NH3+ -119:sc= -1.44 (180deg=-4.2!) USER MOD Set 2.1: A 9 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Set 2.2: A 179 ASN : amide:sc= -0.0613 X(o=-1.4,f=-1.4) USER MOD Single : A 1 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.15) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -101:sc= -0.486 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 139:sc= -5.57! (180deg=-9.71!) USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= -0.275 (180deg=-1.61!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.075 F(o=-0.72,f=-0.075) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -75:sc= 0.429 USER MOD Single : A 23 GLN : amide:sc=-0.00118 X(o=-0.0012,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.334 K(o=0.33,f=-3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 45 THR OG1 : rot 47:sc= 0.31 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 91 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.53) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 102 SER OG : rot -78:sc= 1.68 USER MOD Single : A 105 TYR OH : rot 180:sc= -0.663 USER MOD Single : A 112 MET CE :methyl 138:sc= -2.58 (180deg=-4.41!) USER MOD Single : A 113 SER OG : rot -112:sc= 0.569 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.28) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 129 THR OG1 : rot 83:sc= 0.827 USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -156:sc= -0.474 (180deg=-1.42) USER MOD Single : A 155 CYS SG : rot -120:sc= -5.88! USER MOD Single : A 158 SER OG : rot 75:sc= 0.737 USER MOD Single : A 160 ASN : amide:sc= -0.913 K(o=-0.91,f=-2.1!) USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 SER OG : rot 143:sc= 0.246 USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 174 MET CE :methyl 170:sc= -8.75! (180deg=-8.9!) USER MOD Single : A 175 THR OG1 : rot -120:sc= -0.52 USER MOD Single : A 177 TYR OH : rot 150:sc= 0 USER MOD Single : A 181 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.032) USER MOD Single : A 183 HIS : no HD1:sc= -2.4 X(o=-2.4,f=-2.8!) USER MOD Single : A 184 THR OG1 : rot 100:sc= -22.5! USER MOD Single : A 187 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.023) USER MOD Single : A 189 ASN : amide:sc= -0.934 K(o=-0.93,f=-2.9!) USER MOD Single : A 199 TYR OH : rot 127:sc= 0.912 USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 203 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -8.037 13.508 16.162 1.00 0.02 N ATOM 2 CA HIS A 1 -6.698 14.145 16.261 1.00 0.02 C ATOM 3 C HIS A 1 -5.620 13.266 15.632 1.00 0.02 C ATOM 4 O HIS A 1 -4.629 12.921 16.276 1.00 0.02 O ATOM 5 CB HIS A 1 -6.387 14.396 17.738 1.00 0.02 C ATOM 6 CG HIS A 1 -5.749 15.726 17.997 1.00 1.09 C ATOM 7 ND1 HIS A 1 -5.034 16.009 19.142 1.00 1.98 N ATOM 8 CD2 HIS A 1 -5.721 16.856 17.250 1.00 1.67 C ATOM 9 CE1 HIS A 1 -4.595 17.255 19.088 1.00 2.78 C ATOM 10 NE2 HIS A 1 -4.998 17.789 17.951 1.00 2.59 N ATOM 0 H1 HIS A 1 -8.749 14.128 16.598 1.00 0.02 H new ATOM 0 H2 HIS A 1 -8.276 13.356 15.161 1.00 0.02 H new ATOM 0 H3 HIS A 1 -8.024 12.594 16.658 1.00 0.02 H new ATOM 0 HA HIS A 1 -6.707 15.088 15.715 1.00 0.02 H new ATOM 0 HB2 HIS A 1 -7.311 14.327 18.312 1.00 0.02 H new ATOM 0 HB3 HIS A 1 -5.727 13.608 18.101 1.00 0.02 H new ATOM 0 HD2 HIS A 1 -6.182 16.997 16.283 1.00 1.67 H new ATOM 0 HE1 HIS A 1 -4.007 17.751 19.846 1.00 2.78 H new ATOM 0 HE2 HIS A 1 -4.804 18.742 17.642 1.00 2.59 H new ATOM 20 N ALA A 2 -5.822 12.909 14.368 1.00 0.02 N ATOM 21 CA ALA A 2 -4.870 12.072 13.648 1.00 0.02 C ATOM 22 C ALA A 2 -5.150 12.091 12.148 1.00 0.02 C ATOM 23 O ALA A 2 -5.702 11.138 11.598 1.00 0.03 O ATOM 24 CB ALA A 2 -4.914 10.646 14.176 1.00 0.02 C ATOM 0 H ALA A 2 -6.637 13.187 13.821 1.00 0.02 H new ATOM 0 HA ALA A 2 -3.871 12.477 13.812 1.00 0.02 H new ATOM 0 HB1 ALA A 2 -4.198 10.033 13.629 1.00 0.02 H new ATOM 0 HB2 ALA A 2 -4.659 10.642 15.236 1.00 0.02 H new ATOM 0 HB3 ALA A 2 -5.916 10.239 14.042 1.00 0.02 H new ATOM 30 N GLY A 3 -4.766 13.182 11.493 1.00 0.03 N ATOM 31 CA GLY A 3 -4.985 13.305 10.063 1.00 0.04 C ATOM 32 C GLY A 3 -6.431 13.064 9.675 1.00 0.03 C ATOM 33 O GLY A 3 -7.270 12.781 10.530 1.00 0.05 O ATOM 0 H GLY A 3 -4.307 13.983 11.927 1.00 0.03 H new ATOM 0 HA2 GLY A 3 -4.686 14.301 9.737 1.00 0.04 H new ATOM 0 HA3 GLY A 3 -4.348 12.593 9.538 1.00 0.04 H new ATOM 37 N ARG A 4 -6.725 13.178 8.384 1.00 0.03 N ATOM 38 CA ARG A 4 -8.082 12.972 7.889 1.00 0.04 C ATOM 39 C ARG A 4 -8.084 12.097 6.639 1.00 0.03 C ATOM 40 O ARG A 4 -8.954 12.231 5.779 1.00 0.11 O ATOM 41 CB ARG A 4 -8.742 14.317 7.582 1.00 0.05 C ATOM 42 CG ARG A 4 -8.168 15.472 8.386 1.00 1.27 C ATOM 43 CD ARG A 4 -9.204 16.558 8.619 1.00 2.02 C ATOM 44 NE ARG A 4 -8.853 17.801 7.938 1.00 2.96 N ATOM 45 CZ ARG A 4 -8.997 17.998 6.629 1.00 4.00 C ATOM 46 NH1 ARG A 4 -9.496 17.040 5.854 1.00 4.30 N ATOM 47 NH2 ARG A 4 -8.643 19.158 6.092 1.00 5.00 N ATOM 0 H ARG A 4 -6.043 13.412 7.662 1.00 0.03 H new ATOM 0 HA ARG A 4 -8.650 12.461 8.667 1.00 0.04 H new ATOM 0 HB2 ARG A 4 -8.630 14.533 6.520 1.00 0.05 H new ATOM 0 HB3 ARG A 4 -9.811 14.242 7.781 1.00 0.05 H new ATOM 0 HG2 ARG A 4 -7.804 15.103 9.345 1.00 1.27 H new ATOM 0 HG3 ARG A 4 -7.311 15.892 7.860 1.00 1.27 H new ATOM 0 HD2 ARG A 4 -10.176 16.213 8.267 1.00 2.02 H new ATOM 0 HD3 ARG A 4 -9.300 16.745 9.689 1.00 2.02 H new ATOM 0 HE ARG A 4 -8.475 18.564 8.499 1.00 2.96 H new ATOM 0 HH11 ARG A 4 -9.772 16.146 6.261 1.00 4.30 H new ATOM 0 HH12 ARG A 4 -9.603 17.199 4.852 1.00 4.30 H new ATOM 0 HH21 ARG A 4 -8.261 19.898 6.682 1.00 5.00 H new ATOM 0 HH22 ARG A 4 -8.753 19.310 5.089 1.00 5.00 H new ATOM 61 N THR A 5 -7.107 11.201 6.545 1.00 0.07 N ATOM 62 CA THR A 5 -7.003 10.306 5.399 1.00 0.05 C ATOM 63 C THR A 5 -7.570 8.931 5.738 1.00 0.07 C ATOM 64 O THR A 5 -8.268 8.319 4.930 1.00 0.12 O ATOM 65 CB THR A 5 -5.545 10.176 4.953 1.00 0.06 C ATOM 66 OG1 THR A 5 -4.899 9.130 5.654 1.00 1.17 O ATOM 67 CG2 THR A 5 -4.737 11.439 5.164 1.00 1.19 C ATOM 0 H THR A 5 -6.378 11.076 7.247 1.00 0.07 H new ATOM 0 HA THR A 5 -7.585 10.731 4.581 1.00 0.05 H new ATOM 0 HB THR A 5 -5.588 9.968 3.884 1.00 0.06 H new ATOM 0 HG1 THR A 5 -4.355 9.508 6.376 1.00 1.17 H new ATOM 0 HG21 THR A 5 -3.713 11.277 4.827 1.00 1.19 H new ATOM 0 HG22 THR A 5 -5.182 12.255 4.594 1.00 1.19 H new ATOM 0 HG23 THR A 5 -4.733 11.696 6.223 1.00 1.19 H new ATOM 75 N GLY A 6 -7.271 8.456 6.943 1.00 0.06 N ATOM 76 CA GLY A 6 -7.765 7.161 7.374 1.00 0.07 C ATOM 77 C GLY A 6 -6.880 6.011 6.933 1.00 0.08 C ATOM 78 O GLY A 6 -7.352 4.884 6.782 1.00 0.21 O ATOM 0 H GLY A 6 -6.695 8.945 7.629 1.00 0.06 H new ATOM 0 HA2 GLY A 6 -7.846 7.153 8.461 1.00 0.07 H new ATOM 0 HA3 GLY A 6 -8.769 7.012 6.978 1.00 0.07 H new ATOM 82 N TYR A 7 -5.595 6.288 6.724 1.00 0.11 N ATOM 83 CA TYR A 7 -4.660 5.250 6.298 1.00 0.12 C ATOM 84 C TYR A 7 -4.777 4.017 7.189 1.00 0.12 C ATOM 85 O TYR A 7 -4.736 4.118 8.415 1.00 0.17 O ATOM 86 CB TYR A 7 -3.214 5.766 6.305 1.00 0.16 C ATOM 87 CG TYR A 7 -2.904 6.746 7.415 1.00 1.19 C ATOM 88 CD1 TYR A 7 -2.780 6.323 8.733 1.00 1.99 C ATOM 89 CD2 TYR A 7 -2.732 8.098 7.143 1.00 2.07 C ATOM 90 CE1 TYR A 7 -2.494 7.218 9.746 1.00 2.98 C ATOM 91 CE2 TYR A 7 -2.446 8.100 8.151 1.00 3.06 C ATOM 92 CZ TYR A 7 -2.329 8.554 9.450 1.00 3.39 C ATOM 93 OH TYR A 7 -2.045 9.448 10.457 1.00 4.48 O ATOM 0 H TYR A 7 -5.181 7.213 6.841 1.00 0.11 H new ATOM 0 HA TYR A 7 -4.921 4.973 5.277 1.00 0.12 H new ATOM 0 HB2 TYR A 7 -2.538 4.915 6.389 1.00 0.16 H new ATOM 0 HB3 TYR A 7 -3.007 6.244 5.347 1.00 0.16 H new ATOM 0 HD1 TYR A 7 -2.909 5.277 8.969 1.00 1.99 H new ATOM 0 HD2 TYR A 7 -2.838 8.789 6.319 1.00 2.07 H new ATOM 0 HE1 TYR A 7 -2.400 6.872 10.765 1.00 2.98 H new ATOM 0 HE2 TYR A 7 -1.908 7.166 8.212 1.00 3.06 H new ATOM 0 HH TYR A 7 -1.958 10.348 10.080 1.00 4.48 H new ATOM 103 N ASP A 8 -4.927 2.853 6.564 1.00 0.13 N ATOM 104 CA ASP A 8 -5.053 1.601 7.301 1.00 0.14 C ATOM 105 C ASP A 8 -3.940 0.632 6.917 1.00 0.14 C ATOM 106 O ASP A 8 -3.805 0.259 5.751 1.00 0.13 O ATOM 107 CB ASP A 8 -6.417 0.960 7.036 1.00 0.13 C ATOM 108 CG ASP A 8 -7.041 0.387 8.294 1.00 1.19 C ATOM 109 OD1 ASP A 8 -6.389 -0.453 8.950 1.00 2.05 O ATOM 110 OD2 ASP A 8 -8.181 0.778 8.623 1.00 1.80 O ATOM 0 H ASP A 8 -4.964 2.751 5.550 1.00 0.13 H new ATOM 0 HA ASP A 8 -4.967 1.825 8.364 1.00 0.14 H new ATOM 0 HB2 ASP A 8 -7.088 1.704 6.607 1.00 0.13 H new ATOM 0 HB3 ASP A 8 -6.305 0.168 6.296 1.00 0.13 H new ATOM 115 N ASN A 9 -3.145 0.231 7.905 1.00 0.17 N ATOM 116 CA ASN A 9 -2.037 -0.692 7.679 1.00 0.18 C ATOM 117 C ASN A 9 -2.470 -1.872 6.811 1.00 0.16 C ATOM 118 O ASN A 9 -1.679 -2.407 6.036 1.00 0.16 O ATOM 119 CB ASN A 9 -1.492 -1.199 9.016 1.00 0.25 C ATOM 120 CG ASN A 9 -1.152 -0.068 9.967 1.00 1.12 C ATOM 121 OD1 ASN A 9 -0.128 0.598 9.815 1.00 1.92 O ATOM 122 ND2 ASN A 9 -2.011 0.156 10.954 1.00 1.85 N ATOM 0 H ASN A 9 -3.248 0.532 8.874 1.00 0.17 H new ATOM 0 HA ASN A 9 -1.251 -0.152 7.152 1.00 0.18 H new ATOM 0 HB2 ASN A 9 -2.230 -1.853 9.482 1.00 0.25 H new ATOM 0 HB3 ASN A 9 -0.601 -1.801 8.838 1.00 0.25 H new ATOM 0 HD21 ASN A 9 -1.834 0.905 11.624 1.00 1.85 H new ATOM 0 HD22 ASN A 9 -2.848 -0.421 11.043 1.00 1.85 H new ATOM 129 N ARG A 10 -3.730 -2.271 6.949 1.00 0.18 N ATOM 130 CA ARG A 10 -4.269 -3.386 6.177 1.00 0.19 C ATOM 131 C ARG A 10 -4.493 -2.995 4.719 1.00 0.17 C ATOM 132 O ARG A 10 -4.120 -3.731 3.806 1.00 0.21 O ATOM 133 CB ARG A 10 -5.585 -3.867 6.789 1.00 0.22 C ATOM 134 CG ARG A 10 -5.431 -5.079 7.691 1.00 1.11 C ATOM 135 CD ARG A 10 -6.778 -5.568 8.194 1.00 1.60 C ATOM 136 NE ARG A 10 -7.811 -4.543 8.063 1.00 2.33 N ATOM 137 CZ ARG A 10 -7.958 -3.523 8.907 1.00 2.95 C ATOM 138 NH1 ARG A 10 -7.152 -3.393 9.954 1.00 3.04 N ATOM 139 NH2 ARG A 10 -8.915 -2.629 8.704 1.00 3.90 N ATOM 0 H ARG A 10 -4.397 -1.839 7.588 1.00 0.18 H new ATOM 0 HA ARG A 10 -3.538 -4.194 6.207 1.00 0.19 H new ATOM 0 HB2 ARG A 10 -6.028 -3.053 7.362 1.00 0.22 H new ATOM 0 HB3 ARG A 10 -6.282 -4.108 5.987 1.00 0.22 H new ATOM 0 HG2 ARG A 10 -4.932 -5.880 7.145 1.00 1.11 H new ATOM 0 HG3 ARG A 10 -4.794 -4.826 8.539 1.00 1.11 H new ATOM 0 HD2 ARG A 10 -7.074 -6.456 7.635 1.00 1.60 H new ATOM 0 HD3 ARG A 10 -6.690 -5.864 9.239 1.00 1.60 H new ATOM 0 HE ARG A 10 -8.459 -4.613 7.278 1.00 2.33 H new ATOM 0 HH11 ARG A 10 -6.413 -4.077 10.117 1.00 3.04 H new ATOM 0 HH12 ARG A 10 -7.271 -2.609 10.595 1.00 3.04 H new ATOM 0 HH21 ARG A 10 -9.538 -2.722 7.902 1.00 3.90 H new ATOM 0 HH22 ARG A 10 -9.028 -1.848 9.350 1.00 3.90 H new ATOM 153 N GLU A 11 -5.118 -1.842 4.508 1.00 0.15 N ATOM 154 CA GLU A 11 -5.409 -1.361 3.161 1.00 0.17 C ATOM 155 C GLU A 11 -4.135 -1.150 2.346 1.00 0.17 C ATOM 156 O GLU A 11 -4.021 -1.643 1.224 1.00 0.31 O ATOM 157 CB GLU A 11 -6.205 -0.055 3.219 1.00 0.19 C ATOM 158 CG GLU A 11 -7.150 0.134 2.043 1.00 1.27 C ATOM 159 CD GLU A 11 -8.275 1.104 2.348 1.00 2.03 C ATOM 160 OE1 GLU A 11 -8.294 1.656 3.468 1.00 2.67 O ATOM 161 OE2 GLU A 11 -9.136 1.310 1.467 1.00 2.69 O ATOM 0 H GLU A 11 -5.434 -1.222 5.253 1.00 0.15 H new ATOM 0 HA GLU A 11 -6.004 -2.128 2.666 1.00 0.17 H new ATOM 0 HB2 GLU A 11 -6.780 -0.031 4.144 1.00 0.19 H new ATOM 0 HB3 GLU A 11 -5.509 0.784 3.254 1.00 0.19 H new ATOM 0 HG2 GLU A 11 -6.586 0.496 1.183 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -7.573 -0.831 1.763 1.00 1.27 H new ATOM 168 N ILE A 12 -3.188 -0.402 2.904 1.00 0.12 N ATOM 169 CA ILE A 12 -1.938 -0.119 2.206 1.00 0.12 C ATOM 170 C ILE A 12 -1.243 -1.398 1.746 1.00 0.12 C ATOM 171 O ILE A 12 -0.724 -1.459 0.632 1.00 0.22 O ATOM 172 CB ILE A 12 -0.958 0.713 3.066 1.00 0.15 C ATOM 173 CG1 ILE A 12 0.457 0.623 2.486 1.00 1.02 C ATOM 174 CG2 ILE A 12 -0.978 0.258 4.519 1.00 1.03 C ATOM 175 CD1 ILE A 12 1.294 -0.487 3.084 1.00 1.53 C ATOM 0 H ILE A 12 -3.261 0.017 3.831 1.00 0.12 H new ATOM 0 HA ILE A 12 -2.215 0.470 1.332 1.00 0.12 H new ATOM 0 HB ILE A 12 -1.280 1.754 3.043 1.00 0.15 H new ATOM 0 HG12 ILE A 12 0.389 0.473 1.408 1.00 1.02 H new ATOM 0 HG13 ILE A 12 0.965 1.574 2.644 1.00 1.02 H new ATOM 0 HG21 ILE A 12 -0.279 0.861 5.099 1.00 1.03 H new ATOM 0 HG22 ILE A 12 -1.983 0.377 4.924 1.00 1.03 H new ATOM 0 HG23 ILE A 12 -0.686 -0.791 4.576 1.00 1.03 H new ATOM 0 HD11 ILE A 12 2.282 -0.487 2.623 1.00 1.53 H new ATOM 0 HD12 ILE A 12 1.395 -0.329 4.158 1.00 1.53 H new ATOM 0 HD13 ILE A 12 0.809 -1.446 2.903 1.00 1.53 H new ATOM 187 N VAL A 13 -1.234 -2.418 2.599 1.00 0.11 N ATOM 188 CA VAL A 13 -0.600 -3.684 2.252 1.00 0.11 C ATOM 189 C VAL A 13 -1.442 -4.456 1.245 1.00 0.11 C ATOM 190 O VAL A 13 -0.913 -5.188 0.409 1.00 0.17 O ATOM 191 CB VAL A 13 -0.352 -4.562 3.494 1.00 0.13 C ATOM 192 CG1 VAL A 13 -1.663 -4.964 4.149 1.00 1.28 C ATOM 193 CG2 VAL A 13 0.461 -5.793 3.123 1.00 1.24 C ATOM 0 H VAL A 13 -1.655 -2.393 3.528 1.00 0.11 H new ATOM 0 HA VAL A 13 0.364 -3.441 1.806 1.00 0.11 H new ATOM 0 HB VAL A 13 0.218 -3.975 4.215 1.00 0.13 H new ATOM 0 HG11 VAL A 13 -1.458 -5.583 5.023 1.00 1.28 H new ATOM 0 HG12 VAL A 13 -2.205 -4.070 4.457 1.00 1.28 H new ATOM 0 HG13 VAL A 13 -2.267 -5.528 3.438 1.00 1.28 H new ATOM 0 HG21 VAL A 13 0.627 -6.401 4.012 1.00 1.24 H new ATOM 0 HG22 VAL A 13 -0.082 -6.377 2.380 1.00 1.24 H new ATOM 0 HG23 VAL A 13 1.422 -5.484 2.711 1.00 1.24 H new ATOM 203 N MET A 14 -2.759 -4.289 1.335 1.00 0.09 N ATOM 204 CA MET A 14 -3.681 -4.972 0.436 1.00 0.10 C ATOM 205 C MET A 14 -3.542 -4.442 -0.989 1.00 0.09 C ATOM 206 O MET A 14 -3.643 -5.197 -1.955 1.00 0.13 O ATOM 207 CB MET A 14 -5.124 -4.816 0.946 1.00 0.14 C ATOM 208 CG MET A 14 -6.057 -4.036 0.027 1.00 1.15 C ATOM 209 SD MET A 14 -6.697 -5.045 -1.320 1.00 2.23 S ATOM 210 CE MET A 14 -7.717 -6.198 -0.403 1.00 3.13 C ATOM 0 H MET A 14 -3.211 -3.686 2.022 1.00 0.09 H new ATOM 0 HA MET A 14 -3.433 -6.033 0.419 1.00 0.10 H new ATOM 0 HB2 MET A 14 -5.545 -5.809 1.107 1.00 0.14 H new ATOM 0 HB3 MET A 14 -5.098 -4.320 1.916 1.00 0.14 H new ATOM 0 HG2 MET A 14 -6.890 -3.642 0.609 1.00 1.15 H new ATOM 0 HG3 MET A 14 -5.523 -3.180 -0.386 1.00 1.15 H new ATOM 0 HE1 MET A 14 -8.650 -6.366 -0.941 1.00 3.13 H new ATOM 0 HE2 MET A 14 -7.187 -7.144 -0.292 1.00 3.13 H new ATOM 0 HE3 MET A 14 -7.936 -5.786 0.582 1.00 3.13 H new ATOM 220 N LYS A 15 -3.306 -3.139 -1.108 1.00 0.06 N ATOM 221 CA LYS A 15 -3.149 -2.502 -2.412 1.00 0.08 C ATOM 222 C LYS A 15 -1.789 -2.830 -3.020 1.00 0.10 C ATOM 223 O LYS A 15 -1.695 -3.222 -4.183 1.00 0.10 O ATOM 224 CB LYS A 15 -3.304 -0.985 -2.278 1.00 0.10 C ATOM 225 CG LYS A 15 -4.433 -0.407 -3.116 1.00 1.15 C ATOM 226 CD LYS A 15 -3.903 0.293 -4.357 1.00 2.14 C ATOM 227 CE LYS A 15 -4.127 1.795 -4.289 1.00 3.06 C ATOM 228 NZ LYS A 15 -5.526 2.130 -3.905 1.00 3.81 N ATOM 0 H LYS A 15 -3.219 -2.502 -0.316 1.00 0.06 H new ATOM 0 HA LYS A 15 -3.925 -2.888 -3.074 1.00 0.08 H new ATOM 0 HB2 LYS A 15 -3.478 -0.738 -1.231 1.00 0.10 H new ATOM 0 HB3 LYS A 15 -2.368 -0.507 -2.567 1.00 0.10 H new ATOM 0 HG2 LYS A 15 -5.115 -1.205 -3.410 1.00 1.15 H new ATOM 0 HG3 LYS A 15 -5.008 0.299 -2.517 1.00 1.15 H new ATOM 0 HD2 LYS A 15 -2.838 0.088 -4.465 1.00 2.14 H new ATOM 0 HD3 LYS A 15 -4.396 -0.110 -5.242 1.00 2.14 H new ATOM 0 HE2 LYS A 15 -3.438 2.233 -3.567 1.00 3.06 H new ATOM 0 HE3 LYS A 15 -3.900 2.240 -5.258 1.00 3.06 H new ATOM 0 HZ1 LYS A 15 -5.819 3.002 -4.389 1.00 3.81 H new ATOM 0 HZ2 LYS A 15 -6.158 1.351 -4.181 1.00 3.81 H new ATOM 0 HZ3 LYS A 15 -5.579 2.271 -2.876 1.00 3.81 H new ATOM 242 N TYR A 16 -0.737 -2.662 -2.225 1.00 0.15 N ATOM 243 CA TYR A 16 0.620 -2.936 -2.682 1.00 0.18 C ATOM 244 C TYR A 16 0.752 -4.375 -3.171 1.00 0.18 C ATOM 245 O TYR A 16 1.249 -4.624 -4.270 1.00 0.19 O ATOM 246 CB TYR A 16 1.620 -2.671 -1.555 1.00 0.21 C ATOM 247 CG TYR A 16 2.994 -3.254 -1.807 1.00 0.60 C ATOM 248 CD1 TYR A 16 3.914 -2.593 -2.611 1.00 1.14 C ATOM 249 CD2 TYR A 16 3.370 -4.464 -1.238 1.00 1.54 C ATOM 250 CE1 TYR A 16 5.170 -3.122 -2.842 1.00 1.52 C ATOM 251 CE2 TYR A 16 4.625 -4.100 -1.465 1.00 2.03 C ATOM 252 CZ TYR A 16 5.520 -4.325 -2.267 1.00 1.77 C ATOM 253 OH TYR A 16 6.769 -4.855 -2.495 1.00 2.35 O ATOM 0 H TYR A 16 -0.799 -2.337 -1.260 1.00 0.15 H new ATOM 0 HA TYR A 16 0.838 -2.270 -3.517 1.00 0.18 H new ATOM 0 HB2 TYR A 16 1.713 -1.595 -1.410 1.00 0.21 H new ATOM 0 HB3 TYR A 16 1.225 -3.084 -0.627 1.00 0.21 H new ATOM 0 HD1 TYR A 16 3.643 -1.650 -3.063 1.00 1.14 H new ATOM 0 HD2 TYR A 16 2.867 -5.317 -0.806 1.00 1.54 H new ATOM 0 HE1 TYR A 16 5.874 -2.595 -3.470 1.00 1.52 H new ATOM 0 HE2 TYR A 16 4.955 -3.393 -0.718 1.00 2.03 H new ATOM 0 HH TYR A 16 7.423 -4.413 -1.914 1.00 2.35 H new ATOM 263 N ILE A 17 0.304 -5.319 -2.349 1.00 0.18 N ATOM 264 CA ILE A 17 0.373 -6.733 -2.701 1.00 0.19 C ATOM 265 C ILE A 17 -0.565 -7.053 -3.861 1.00 0.16 C ATOM 266 O ILE A 17 -0.258 -7.893 -4.707 1.00 0.20 O ATOM 267 CB ILE A 17 0.026 -7.633 -1.494 1.00 0.20 C ATOM 268 CG1 ILE A 17 1.158 -8.628 -1.229 1.00 1.14 C ATOM 269 CG2 ILE A 17 -1.288 -8.368 -1.725 1.00 1.12 C ATOM 270 CD1 ILE A 17 1.070 -9.296 0.126 1.00 1.95 C ATOM 0 H ILE A 17 -0.110 -5.131 -1.436 1.00 0.18 H new ATOM 0 HA ILE A 17 1.400 -6.938 -3.005 1.00 0.19 H new ATOM 0 HB ILE A 17 -0.091 -6.997 -0.616 1.00 0.20 H new ATOM 0 HG12 ILE A 17 1.147 -9.394 -2.004 1.00 1.14 H new ATOM 0 HG13 ILE A 17 2.113 -8.109 -1.308 1.00 1.14 H new ATOM 0 HG21 ILE A 17 -1.511 -8.995 -0.862 1.00 1.12 H new ATOM 0 HG22 ILE A 17 -2.091 -7.644 -1.864 1.00 1.12 H new ATOM 0 HG23 ILE A 17 -1.204 -8.992 -2.615 1.00 1.12 H new ATOM 0 HD11 ILE A 17 1.904 -9.988 0.245 1.00 1.95 H new ATOM 0 HD12 ILE A 17 1.112 -8.538 0.909 1.00 1.95 H new ATOM 0 HD13 ILE A 17 0.131 -9.844 0.201 1.00 1.95 H new ATOM 282 N HIS A 18 -1.710 -6.376 -3.896 1.00 0.10 N ATOM 283 CA HIS A 18 -2.692 -6.587 -4.953 1.00 0.08 C ATOM 284 C HIS A 18 -2.102 -6.247 -6.317 1.00 0.07 C ATOM 285 O HIS A 18 -2.356 -6.937 -7.304 1.00 0.10 O ATOM 286 CB HIS A 18 -3.937 -5.735 -4.697 1.00 0.07 C ATOM 287 CG HIS A 18 -4.904 -5.723 -5.840 1.00 0.34 C ATOM 288 ND1 HIS A 18 -5.185 -6.663 -6.775 1.00 0.86 N flip ATOM 289 CD2 HIS A 18 -5.722 -4.650 -6.122 1.00 1.00 C flip ATOM 290 CE1 HIS A 18 -6.157 -6.144 -7.593 1.00 0.93 C flip ATOM 291 NE2 HIS A 18 -6.465 -4.929 -7.178 1.00 1.00 N flip ATOM 0 H HIS A 18 -1.980 -5.677 -3.204 1.00 0.10 H new ATOM 0 HA HIS A 18 -2.973 -7.640 -4.950 1.00 0.08 H new ATOM 0 HB2 HIS A 18 -4.445 -6.108 -3.807 1.00 0.07 H new ATOM 0 HB3 HIS A 18 -3.628 -4.712 -4.483 1.00 0.07 H new ATOM 0 HD2 HIS A 18 -5.751 -3.725 -5.566 1.00 1.00 H new ATOM 0 HE1 HIS A 18 -6.599 -6.648 -8.440 1.00 0.93 H new ATOM 0 HE2 HIS A 18 -7.158 -4.311 -7.601 1.00 1.00 H new ATOM 299 N TYR A 19 -1.315 -5.178 -6.362 1.00 0.07 N ATOM 300 CA TYR A 19 -0.687 -4.744 -7.604 1.00 0.07 C ATOM 301 C TYR A 19 0.370 -5.744 -8.059 1.00 0.07 C ATOM 302 O TYR A 19 0.507 -6.018 -9.252 1.00 0.08 O ATOM 303 CB TYR A 19 -0.057 -3.362 -7.425 1.00 0.08 C ATOM 304 CG TYR A 19 -0.055 -2.528 -8.686 1.00 1.15 C ATOM 305 CD1 TYR A 19 -1.213 -2.371 -9.438 1.00 1.73 C ATOM 306 CD2 TYR A 19 1.103 -1.899 -9.126 1.00 1.95 C ATOM 307 CE1 TYR A 19 -1.217 -1.611 -10.592 1.00 2.68 C ATOM 308 CE2 TYR A 19 1.107 -1.137 -10.280 1.00 2.93 C ATOM 309 CZ TYR A 19 -0.055 -0.997 -11.008 1.00 3.20 C ATOM 310 OH TYR A 19 -0.057 -0.240 -12.158 1.00 4.21 O ATOM 0 H TYR A 19 -1.097 -4.596 -5.553 1.00 0.07 H new ATOM 0 HA TYR A 19 -1.459 -4.687 -8.371 1.00 0.07 H new ATOM 0 HB2 TYR A 19 -0.597 -2.825 -6.645 1.00 0.08 H new ATOM 0 HB3 TYR A 19 0.969 -3.482 -7.078 1.00 0.08 H new ATOM 0 HD1 TYR A 19 -2.125 -2.851 -9.115 1.00 1.73 H new ATOM 0 HD2 TYR A 19 2.015 -2.007 -8.558 1.00 1.95 H new ATOM 0 HE1 TYR A 19 -2.126 -1.499 -11.165 1.00 2.68 H new ATOM 0 HE2 TYR A 19 2.015 -0.654 -10.609 1.00 2.93 H new ATOM 0 HH TYR A 19 0.840 0.125 -12.311 1.00 4.21 H new ATOM 320 N LYS A 20 1.114 -6.289 -7.103 1.00 0.06 N ATOM 321 CA LYS A 20 2.157 -7.261 -7.410 1.00 0.06 C ATOM 322 C LYS A 20 1.578 -8.456 -8.160 1.00 0.06 C ATOM 323 O LYS A 20 2.170 -8.944 -9.122 1.00 0.09 O ATOM 324 CB LYS A 20 2.841 -7.732 -6.125 1.00 0.07 C ATOM 325 CG LYS A 20 4.308 -7.344 -6.039 1.00 0.71 C ATOM 326 CD LYS A 20 5.157 -8.490 -5.513 1.00 0.90 C ATOM 327 CE LYS A 20 6.504 -7.998 -5.007 1.00 1.59 C ATOM 328 NZ LYS A 20 6.361 -7.096 -3.831 1.00 2.70 N ATOM 0 H LYS A 20 1.015 -6.075 -6.111 1.00 0.06 H new ATOM 0 HA LYS A 20 2.896 -6.776 -8.047 1.00 0.06 H new ATOM 0 HB2 LYS A 20 2.313 -7.314 -5.268 1.00 0.07 H new ATOM 0 HB3 LYS A 20 2.756 -8.816 -6.054 1.00 0.07 H new ATOM 0 HG2 LYS A 20 4.666 -7.048 -7.025 1.00 0.71 H new ATOM 0 HG3 LYS A 20 4.419 -6.478 -5.386 1.00 0.71 H new ATOM 0 HD2 LYS A 20 4.627 -8.997 -4.706 1.00 0.90 H new ATOM 0 HD3 LYS A 20 5.310 -9.224 -6.304 1.00 0.90 H new ATOM 0 HE2 LYS A 20 7.124 -8.853 -4.735 1.00 1.59 H new ATOM 0 HE3 LYS A 20 7.022 -7.470 -5.808 1.00 1.59 H new ATOM 0 HZ1 LYS A 20 6.750 -6.160 -4.062 1.00 2.70 H new ATOM 0 HZ2 LYS A 20 5.355 -7.002 -3.586 1.00 2.70 H new ATOM 0 HZ3 LYS A 20 6.878 -7.496 -3.022 1.00 2.70 H new ATOM 342 N LEU A 21 0.416 -8.920 -7.713 1.00 0.06 N ATOM 343 CA LEU A 21 -0.246 -10.057 -8.342 1.00 0.06 C ATOM 344 C LEU A 21 -0.842 -9.661 -9.689 1.00 0.06 C ATOM 345 O LEU A 21 -0.851 -10.453 -10.631 1.00 0.13 O ATOM 346 CB LEU A 21 -1.340 -10.608 -7.426 1.00 0.07 C ATOM 347 CG LEU A 21 -0.889 -11.722 -6.480 1.00 0.81 C ATOM 348 CD1 LEU A 21 -0.240 -11.136 -5.237 1.00 1.69 C ATOM 349 CD2 LEU A 21 -2.064 -12.610 -6.101 1.00 1.32 C ATOM 0 H LEU A 21 -0.087 -8.526 -6.918 1.00 0.06 H new ATOM 0 HA LEU A 21 0.500 -10.834 -8.510 1.00 0.06 H new ATOM 0 HB2 LEU A 21 -1.743 -9.788 -6.832 1.00 0.07 H new ATOM 0 HB3 LEU A 21 -2.155 -10.984 -8.044 1.00 0.07 H new ATOM 0 HG LEU A 21 -0.150 -12.334 -6.998 1.00 0.81 H new ATOM 0 HD11 LEU A 21 0.074 -11.943 -4.576 1.00 1.69 H new ATOM 0 HD12 LEU A 21 0.629 -10.544 -5.525 1.00 1.69 H new ATOM 0 HD13 LEU A 21 -0.957 -10.500 -4.718 1.00 1.69 H new ATOM 0 HD21 LEU A 21 -1.723 -13.397 -5.428 1.00 1.32 H new ATOM 0 HD22 LEU A 21 -2.827 -12.011 -5.603 1.00 1.32 H new ATOM 0 HD23 LEU A 21 -2.485 -13.059 -7.000 1.00 1.32 H new ATOM 361 N SER A 22 -1.339 -8.431 -9.772 1.00 0.05 N ATOM 362 CA SER A 22 -1.936 -7.930 -11.004 1.00 0.05 C ATOM 363 C SER A 22 -0.972 -8.085 -12.176 1.00 0.04 C ATOM 364 O SER A 22 -1.381 -8.408 -13.291 1.00 0.04 O ATOM 365 CB SER A 22 -2.331 -6.460 -10.844 1.00 0.07 C ATOM 366 OG SER A 22 -1.383 -5.607 -11.462 1.00 1.18 O ATOM 0 H SER A 22 -1.340 -7.763 -9.001 1.00 0.05 H new ATOM 0 HA SER A 22 -2.830 -8.518 -11.211 1.00 0.05 H new ATOM 0 HB2 SER A 22 -3.315 -6.295 -11.284 1.00 0.07 H new ATOM 0 HB3 SER A 22 -2.410 -6.215 -9.785 1.00 0.07 H new ATOM 0 HG SER A 22 -0.575 -5.561 -10.909 1.00 1.18 H new ATOM 372 N GLN A 23 0.311 -7.857 -11.914 1.00 0.04 N ATOM 373 CA GLN A 23 1.335 -7.975 -12.945 1.00 0.04 C ATOM 374 C GLN A 23 1.246 -9.327 -13.645 1.00 0.05 C ATOM 375 O GLN A 23 1.513 -9.438 -14.841 1.00 0.10 O ATOM 376 CB GLN A 23 2.725 -7.794 -12.332 1.00 0.08 C ATOM 377 CG GLN A 23 3.859 -8.164 -13.273 1.00 0.98 C ATOM 378 CD GLN A 23 5.222 -7.997 -12.633 1.00 1.78 C ATOM 379 OE1 GLN A 23 6.034 -7.185 -13.077 1.00 2.40 O ATOM 380 NE2 GLN A 23 5.479 -8.765 -11.581 1.00 2.61 N ATOM 0 H GLN A 23 0.666 -7.589 -10.996 1.00 0.04 H new ATOM 0 HA GLN A 23 1.167 -7.192 -13.684 1.00 0.04 H new ATOM 0 HB2 GLN A 23 2.844 -6.755 -12.024 1.00 0.08 H new ATOM 0 HB3 GLN A 23 2.798 -8.404 -11.432 1.00 0.08 H new ATOM 0 HG2 GLN A 23 3.737 -9.198 -13.595 1.00 0.98 H new ATOM 0 HG3 GLN A 23 3.802 -7.543 -14.167 1.00 0.98 H new ATOM 0 HE21 GLN A 23 4.776 -9.424 -11.247 1.00 2.61 H new ATOM 0 HE22 GLN A 23 6.379 -8.696 -11.107 1.00 2.61 H new ATOM 389 N ARG A 24 0.867 -10.351 -12.889 1.00 0.04 N ATOM 390 CA ARG A 24 0.739 -11.699 -13.432 1.00 0.05 C ATOM 391 C ARG A 24 -0.658 -11.934 -14.006 1.00 0.05 C ATOM 392 O ARG A 24 -0.844 -12.784 -14.877 1.00 0.05 O ATOM 393 CB ARG A 24 1.035 -12.736 -12.347 1.00 0.08 C ATOM 394 CG ARG A 24 2.077 -13.764 -12.754 1.00 1.17 C ATOM 395 CD ARG A 24 3.486 -13.262 -12.487 1.00 1.80 C ATOM 396 NE ARG A 24 4.483 -14.316 -12.648 1.00 2.48 N ATOM 397 CZ ARG A 24 5.754 -14.201 -12.268 1.00 3.02 C ATOM 398 NH1 ARG A 24 6.189 -13.082 -11.698 1.00 3.11 N ATOM 399 NH2 ARG A 24 6.593 -15.210 -12.456 1.00 4.02 N ATOM 0 H ARG A 24 0.643 -10.274 -11.897 1.00 0.04 H new ATOM 0 HA ARG A 24 1.463 -11.805 -14.240 1.00 0.05 H new ATOM 0 HB2 ARG A 24 1.376 -12.222 -11.449 1.00 0.08 H new ATOM 0 HB3 ARG A 24 0.110 -13.252 -12.088 1.00 0.08 H new ATOM 0 HG2 ARG A 24 1.909 -14.691 -12.205 1.00 1.17 H new ATOM 0 HG3 ARG A 24 1.967 -13.996 -13.813 1.00 1.17 H new ATOM 0 HD2 ARG A 24 3.713 -12.441 -13.167 1.00 1.80 H new ATOM 0 HD3 ARG A 24 3.542 -12.862 -11.475 1.00 1.80 H new ATOM 0 HE ARG A 24 4.188 -15.193 -13.077 1.00 2.48 H new ATOM 0 HH11 ARG A 24 5.548 -12.303 -11.549 1.00 3.11 H new ATOM 0 HH12 ARG A 24 7.164 -13.002 -11.410 1.00 3.11 H new ATOM 0 HH21 ARG A 24 6.265 -16.072 -12.891 1.00 4.02 H new ATOM 0 HH22 ARG A 24 7.567 -15.124 -12.166 1.00 4.02 H new ATOM 413 N GLY A 25 -1.638 -11.182 -13.511 1.00 0.04 N ATOM 414 CA GLY A 25 -3.001 -11.333 -13.987 1.00 0.04 C ATOM 415 C GLY A 25 -3.863 -12.186 -13.068 1.00 0.04 C ATOM 416 O GLY A 25 -5.004 -12.504 -13.407 1.00 0.07 O ATOM 0 H GLY A 25 -1.512 -10.472 -12.790 1.00 0.04 H new ATOM 0 HA2 GLY A 25 -3.455 -10.347 -14.090 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -2.985 -11.782 -14.980 1.00 0.04 H new ATOM 420 N TYR A 26 -3.329 -12.558 -11.904 1.00 0.05 N ATOM 421 CA TYR A 26 -4.071 -13.375 -10.953 1.00 0.06 C ATOM 422 C TYR A 26 -5.136 -12.547 -10.241 1.00 0.07 C ATOM 423 O TYR A 26 -4.821 -11.602 -9.517 1.00 0.15 O ATOM 424 CB TYR A 26 -3.119 -13.990 -9.926 1.00 0.06 C ATOM 425 CG TYR A 26 -2.948 -15.484 -10.078 1.00 0.79 C ATOM 426 CD1 TYR A 26 -2.670 -16.047 -11.317 1.00 1.80 C ATOM 427 CD2 TYR A 26 -3.065 -16.330 -8.984 1.00 1.50 C ATOM 428 CE1 TYR A 26 -2.514 -17.412 -11.461 1.00 2.39 C ATOM 429 CE2 TYR A 26 -2.911 -17.697 -9.120 1.00 2.03 C ATOM 430 CZ TYR A 26 -2.636 -18.232 -10.360 1.00 2.23 C ATOM 431 OH TYR A 26 -2.483 -19.592 -10.500 1.00 2.94 O ATOM 0 H TYR A 26 -2.388 -12.306 -11.601 1.00 0.05 H new ATOM 0 HA TYR A 26 -4.565 -14.174 -11.506 1.00 0.06 H new ATOM 0 HB2 TYR A 26 -2.144 -13.510 -10.014 1.00 0.06 H new ATOM 0 HB3 TYR A 26 -3.491 -13.775 -8.924 1.00 0.06 H new ATOM 0 HD1 TYR A 26 -2.574 -15.407 -12.182 1.00 1.80 H new ATOM 0 HD2 TYR A 26 -3.280 -15.914 -8.011 1.00 1.50 H new ATOM 0 HE1 TYR A 26 -2.298 -17.834 -12.431 1.00 2.39 H new ATOM 0 HE2 TYR A 26 -3.006 -18.342 -8.259 1.00 2.03 H new ATOM 0 HH TYR A 26 -2.599 -20.026 -9.629 1.00 2.94 H new ATOM 441 N GLU A 27 -6.396 -12.908 -10.451 1.00 0.09 N ATOM 442 CA GLU A 27 -7.508 -12.198 -9.828 1.00 0.10 C ATOM 443 C GLU A 27 -7.591 -12.521 -8.339 1.00 0.09 C ATOM 444 O GLU A 27 -8.549 -13.142 -7.880 1.00 0.11 O ATOM 445 CB GLU A 27 -8.825 -12.564 -10.515 1.00 0.11 C ATOM 446 CG GLU A 27 -8.693 -12.773 -12.015 1.00 1.35 C ATOM 447 CD GLU A 27 -9.815 -12.117 -12.795 1.00 2.03 C ATOM 448 OE1 GLU A 27 -9.837 -10.871 -12.871 1.00 2.79 O ATOM 449 OE2 GLU A 27 -10.672 -12.850 -13.332 1.00 2.29 O ATOM 0 H GLU A 27 -6.674 -13.687 -11.047 1.00 0.09 H new ATOM 0 HA GLU A 27 -7.333 -11.128 -9.942 1.00 0.10 H new ATOM 0 HB2 GLU A 27 -9.220 -13.474 -10.063 1.00 0.11 H new ATOM 0 HB3 GLU A 27 -9.553 -11.774 -10.330 1.00 0.11 H new ATOM 0 HG2 GLU A 27 -7.738 -12.371 -12.352 1.00 1.35 H new ATOM 0 HG3 GLU A 27 -8.682 -13.842 -12.230 1.00 1.35 H new ATOM 456 N TRP A 28 -6.579 -12.095 -7.591 1.00 0.11 N ATOM 457 CA TRP A 28 -6.534 -12.339 -6.154 1.00 0.13 C ATOM 458 C TRP A 28 -7.854 -11.960 -5.495 1.00 0.12 C ATOM 459 O TRP A 28 -8.265 -10.800 -5.529 1.00 0.16 O ATOM 460 CB TRP A 28 -5.390 -11.548 -5.519 1.00 0.15 C ATOM 461 CG TRP A 28 -5.381 -11.605 -4.022 1.00 0.19 C ATOM 462 CD1 TRP A 28 -5.670 -12.686 -3.239 1.00 0.49 C ATOM 463 CD2 TRP A 28 -5.065 -10.533 -3.127 1.00 0.35 C ATOM 464 NE1 TRP A 28 -5.552 -12.351 -1.911 1.00 0.54 N ATOM 465 CE2 TRP A 28 -5.181 -11.035 -1.817 1.00 0.41 C ATOM 466 CE3 TRP A 28 -4.693 -9.198 -3.307 1.00 0.69 C ATOM 467 CZ2 TRP A 28 -4.939 -10.247 -0.694 1.00 0.59 C ATOM 468 CZ3 TRP A 28 -4.454 -8.417 -2.191 1.00 0.93 C ATOM 469 CH2 TRP A 28 -4.577 -8.944 -0.900 1.00 0.83 C ATOM 0 H TRP A 28 -5.779 -11.579 -7.956 1.00 0.11 H new ATOM 0 HA TRP A 28 -6.364 -13.404 -5.997 1.00 0.13 H new ATOM 0 HB2 TRP A 28 -4.441 -11.932 -5.895 1.00 0.15 H new ATOM 0 HB3 TRP A 28 -5.460 -10.507 -5.834 1.00 0.15 H new ATOM 0 HD1 TRP A 28 -5.950 -13.661 -3.609 1.00 0.49 H new ATOM 0 HE1 TRP A 28 -5.714 -12.979 -1.124 1.00 0.54 H new ATOM 0 HE3 TRP A 28 -4.594 -8.784 -4.299 1.00 0.69 H new ATOM 0 HZ2 TRP A 28 -5.034 -10.650 0.303 1.00 0.59 H new ATOM 0 HZ3 TRP A 28 -4.168 -7.383 -2.318 1.00 0.93 H new ATOM 0 HH2 TRP A 28 -4.382 -8.309 -0.049 1.00 0.83 H new ATOM 480 N ASP A 29 -8.514 -12.944 -4.891 1.00 0.27 N ATOM 481 CA ASP A 29 -9.786 -12.709 -4.220 1.00 0.31 C ATOM 482 C ASP A 29 -9.575 -11.905 -2.941 1.00 0.26 C ATOM 483 O ASP A 29 -9.774 -12.408 -1.834 1.00 0.30 O ATOM 484 CB ASP A 29 -10.475 -14.038 -3.903 1.00 0.45 C ATOM 485 CG ASP A 29 -11.559 -14.381 -4.907 1.00 0.97 C ATOM 486 OD1 ASP A 29 -11.216 -14.684 -6.070 1.00 1.95 O ATOM 487 OD2 ASP A 29 -12.749 -14.348 -4.531 1.00 1.49 O ATOM 0 H ASP A 29 -8.189 -13.910 -4.853 1.00 0.27 H new ATOM 0 HA ASP A 29 -10.427 -12.135 -4.889 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -9.732 -14.835 -3.888 1.00 0.45 H new ATOM 0 HB3 ASP A 29 -10.910 -13.990 -2.905 1.00 0.45 H new ATOM 492 N ALA A 30 -9.165 -10.652 -3.103 1.00 0.20 N ATOM 493 CA ALA A 30 -8.918 -9.772 -1.970 1.00 0.17 C ATOM 494 C ALA A 30 -10.224 -9.315 -1.329 1.00 0.16 C ATOM 495 O ALA A 30 -10.624 -9.823 -0.282 1.00 0.17 O ATOM 496 CB ALA A 30 -8.094 -8.572 -2.410 1.00 0.13 C ATOM 0 H ALA A 30 -8.996 -10.223 -4.013 1.00 0.20 H new ATOM 0 HA ALA A 30 -8.358 -10.332 -1.221 1.00 0.17 H new ATOM 0 HB1 ALA A 30 -7.915 -7.920 -1.555 1.00 0.13 H new ATOM 0 HB2 ALA A 30 -7.140 -8.913 -2.812 1.00 0.13 H new ATOM 0 HB3 ALA A 30 -8.635 -8.021 -3.179 1.00 0.13 H new ATOM 502 N GLY A 31 -10.885 -8.351 -1.963 1.00 0.15 N ATOM 503 CA GLY A 31 -12.138 -7.842 -1.437 1.00 0.14 C ATOM 504 C GLY A 31 -13.275 -8.836 -1.576 1.00 0.14 C ATOM 505 O GLY A 31 -14.196 -8.628 -2.366 1.00 0.21 O ATOM 0 H GLY A 31 -10.575 -7.914 -2.831 1.00 0.15 H new ATOM 0 HA2 GLY A 31 -12.009 -7.587 -0.385 1.00 0.14 H new ATOM 0 HA3 GLY A 31 -12.399 -6.921 -1.958 1.00 0.14 H new ATOM 509 N ASP A 32 -13.213 -9.918 -0.806 1.00 0.09 N ATOM 510 CA ASP A 32 -14.248 -10.945 -0.848 1.00 0.08 C ATOM 511 C ASP A 32 -15.638 -10.323 -0.746 1.00 0.08 C ATOM 512 O ASP A 32 -16.608 -10.857 -1.285 1.00 0.09 O ATOM 513 CB ASP A 32 -14.043 -11.954 0.285 1.00 0.08 C ATOM 514 CG ASP A 32 -15.278 -12.113 1.149 1.00 1.34 C ATOM 515 OD1 ASP A 32 -15.592 -11.178 1.915 1.00 1.91 O ATOM 516 OD2 ASP A 32 -15.932 -13.174 1.060 1.00 2.14 O ATOM 0 H ASP A 32 -12.458 -10.106 -0.146 1.00 0.09 H new ATOM 0 HA ASP A 32 -14.171 -11.463 -1.804 1.00 0.08 H new ATOM 0 HB2 ASP A 32 -13.772 -12.921 -0.138 1.00 0.08 H new ATOM 0 HB3 ASP A 32 -13.207 -11.633 0.907 1.00 0.08 H new ATOM 521 N ASP A 33 -15.729 -9.193 -0.051 1.00 0.08 N ATOM 522 CA ASP A 33 -17.002 -8.501 0.121 1.00 0.08 C ATOM 523 C ASP A 33 -17.325 -7.642 -1.098 1.00 0.10 C ATOM 524 O ASP A 33 -17.460 -6.423 -0.993 1.00 0.17 O ATOM 525 CB ASP A 33 -16.966 -7.632 1.379 1.00 0.08 C ATOM 526 CG ASP A 33 -18.350 -7.207 1.831 1.00 0.68 C ATOM 527 OD1 ASP A 33 -19.021 -8.006 2.517 1.00 1.48 O ATOM 528 OD2 ASP A 33 -18.761 -6.075 1.501 1.00 1.40 O ATOM 0 H ASP A 33 -14.937 -8.737 0.402 1.00 0.08 H new ATOM 0 HA ASP A 33 -17.784 -9.252 0.229 1.00 0.08 H new ATOM 0 HB2 ASP A 33 -16.478 -8.183 2.183 1.00 0.08 H new ATOM 0 HB3 ASP A 33 -16.362 -6.745 1.187 1.00 0.08 H new ATOM 533 N VAL A 34 -17.448 -8.286 -2.255 1.00 0.03 N ATOM 534 CA VAL A 34 -17.756 -7.580 -3.495 1.00 0.03 C ATOM 535 C VAL A 34 -19.248 -7.281 -3.605 1.00 0.04 C ATOM 536 O VAL A 34 -19.945 -7.847 -4.447 1.00 0.05 O ATOM 537 CB VAL A 34 -17.316 -8.392 -4.728 1.00 0.03 C ATOM 538 CG1 VAL A 34 -18.000 -9.750 -4.748 1.00 1.01 C ATOM 539 CG2 VAL A 34 -17.605 -7.619 -6.007 1.00 1.01 C ATOM 0 H VAL A 34 -17.339 -9.295 -2.360 1.00 0.03 H new ATOM 0 HA VAL A 34 -17.202 -6.642 -3.468 1.00 0.03 H new ATOM 0 HB VAL A 34 -16.240 -8.557 -4.666 1.00 0.03 H new ATOM 0 HG11 VAL A 34 -17.676 -10.308 -5.627 1.00 1.01 H new ATOM 0 HG12 VAL A 34 -17.735 -10.304 -3.848 1.00 1.01 H new ATOM 0 HG13 VAL A 34 -19.081 -9.613 -4.784 1.00 1.01 H new ATOM 0 HG21 VAL A 34 -17.288 -8.208 -6.868 1.00 1.01 H new ATOM 0 HG22 VAL A 34 -18.674 -7.420 -6.078 1.00 1.01 H new ATOM 0 HG23 VAL A 34 -17.060 -6.675 -5.993 1.00 1.01 H new ATOM 549 N GLU A 35 -19.732 -6.385 -2.751 1.00 0.04 N ATOM 550 CA GLU A 35 -21.141 -6.010 -2.757 1.00 0.05 C ATOM 551 C GLU A 35 -21.302 -4.501 -2.919 1.00 0.08 C ATOM 552 O GLU A 35 -22.257 -3.911 -2.412 1.00 0.20 O ATOM 553 CB GLU A 35 -21.818 -6.472 -1.465 1.00 0.05 C ATOM 554 CG GLU A 35 -21.377 -5.692 -0.238 1.00 1.32 C ATOM 555 CD GLU A 35 -22.102 -6.126 1.020 1.00 2.00 C ATOM 556 OE1 GLU A 35 -23.022 -6.965 0.916 1.00 2.50 O ATOM 557 OE2 GLU A 35 -21.751 -5.626 2.110 1.00 2.71 O ATOM 0 H GLU A 35 -19.170 -5.906 -2.047 1.00 0.04 H new ATOM 0 HA GLU A 35 -21.619 -6.501 -3.605 1.00 0.05 H new ATOM 0 HB2 GLU A 35 -22.898 -6.378 -1.577 1.00 0.05 H new ATOM 0 HB3 GLU A 35 -21.604 -7.529 -1.310 1.00 0.05 H new ATOM 0 HG2 GLU A 35 -20.304 -5.820 -0.097 1.00 1.32 H new ATOM 0 HG3 GLU A 35 -21.552 -4.629 -0.405 1.00 1.32 H new ATOM 564 N GLU A 36 -20.363 -3.883 -3.628 1.00 0.06 N ATOM 565 CA GLU A 36 -20.401 -2.444 -3.857 1.00 0.04 C ATOM 566 C GLU A 36 -20.367 -1.680 -2.538 1.00 0.04 C ATOM 567 O GLU A 36 -21.410 -1.347 -1.974 1.00 0.10 O ATOM 568 CB GLU A 36 -21.653 -2.065 -4.649 1.00 0.06 C ATOM 569 CG GLU A 36 -21.449 -0.874 -5.570 1.00 1.38 C ATOM 570 CD GLU A 36 -22.124 -1.055 -6.915 1.00 2.18 C ATOM 571 OE1 GLU A 36 -23.341 -1.336 -6.936 1.00 2.57 O ATOM 572 OE2 GLU A 36 -21.435 -0.917 -7.948 1.00 3.05 O ATOM 0 H GLU A 36 -19.566 -4.357 -4.054 1.00 0.06 H new ATOM 0 HA GLU A 36 -19.518 -2.171 -4.435 1.00 0.04 H new ATOM 0 HB2 GLU A 36 -21.972 -2.922 -5.242 1.00 0.06 H new ATOM 0 HB3 GLU A 36 -22.461 -1.841 -3.952 1.00 0.06 H new ATOM 0 HG2 GLU A 36 -21.839 0.023 -5.090 1.00 1.38 H new ATOM 0 HG3 GLU A 36 -20.381 -0.715 -5.722 1.00 1.38 H new ATOM 579 N ASN A 37 -19.161 -1.404 -2.052 1.00 0.05 N ATOM 580 CA ASN A 37 -18.989 -0.678 -0.799 1.00 0.03 C ATOM 581 C ASN A 37 -18.484 0.739 -1.054 1.00 0.05 C ATOM 582 O ASN A 37 -17.309 0.944 -1.357 1.00 0.09 O ATOM 583 CB ASN A 37 -18.011 -1.420 0.114 1.00 0.03 C ATOM 584 CG ASN A 37 -18.301 -2.906 0.186 1.00 1.26 C ATOM 585 OD1 ASN A 37 -18.379 -3.586 -0.837 1.00 2.06 O ATOM 586 ND2 ASN A 37 -18.461 -3.418 1.400 1.00 1.86 N ATOM 0 H ASN A 37 -18.288 -1.672 -2.507 1.00 0.05 H new ATOM 0 HA ASN A 37 -19.961 -0.616 -0.309 1.00 0.03 H new ATOM 0 HB2 ASN A 37 -16.994 -1.268 -0.248 1.00 0.03 H new ATOM 0 HB3 ASN A 37 -18.060 -0.994 1.116 1.00 0.03 H new ATOM 0 HD21 ASN A 37 -18.657 -4.413 1.512 1.00 1.86 H new ATOM 0 HD22 ASN A 37 -18.388 -2.817 2.221 1.00 1.86 H new ATOM 593 N ARG A 38 -19.379 1.712 -0.928 1.00 0.04 N ATOM 594 CA ARG A 38 -19.022 3.110 -1.143 1.00 0.05 C ATOM 595 C ARG A 38 -18.501 3.744 0.143 1.00 0.04 C ATOM 596 O ARG A 38 -17.326 4.096 0.240 1.00 0.16 O ATOM 597 CB ARG A 38 -20.231 3.894 -1.659 1.00 0.09 C ATOM 598 CG ARG A 38 -19.859 5.135 -2.453 1.00 1.08 C ATOM 599 CD ARG A 38 -20.540 5.150 -3.812 1.00 1.96 C ATOM 600 NE ARG A 38 -20.089 4.050 -4.660 1.00 2.52 N ATOM 601 CZ ARG A 38 -20.536 3.830 -5.894 1.00 3.42 C ATOM 602 NH1 ARG A 38 -21.448 4.632 -6.434 1.00 3.90 N ATOM 603 NH2 ARG A 38 -20.069 2.805 -6.593 1.00 4.24 N ATOM 0 H ARG A 38 -20.356 1.559 -0.678 1.00 0.04 H new ATOM 0 HA ARG A 38 -18.229 3.145 -1.890 1.00 0.05 H new ATOM 0 HB2 ARG A 38 -20.837 3.240 -2.286 1.00 0.09 H new ATOM 0 HB3 ARG A 38 -20.851 4.187 -0.812 1.00 0.09 H new ATOM 0 HG2 ARG A 38 -20.143 6.026 -1.893 1.00 1.08 H new ATOM 0 HG3 ARG A 38 -18.778 5.173 -2.586 1.00 1.08 H new ATOM 0 HD2 ARG A 38 -21.620 5.085 -3.678 1.00 1.96 H new ATOM 0 HD3 ARG A 38 -20.337 6.098 -4.309 1.00 1.96 H new ATOM 0 HE ARG A 38 -19.389 3.411 -4.283 1.00 2.52 H new ATOM 0 HH11 ARG A 38 -21.811 5.423 -5.902 1.00 3.90 H new ATOM 0 HH12 ARG A 38 -21.785 4.456 -7.380 1.00 3.90 H new ATOM 0 HH21 ARG A 38 -19.368 2.186 -6.185 1.00 4.24 H new ATOM 0 HH22 ARG A 38 -20.411 2.635 -7.539 1.00 4.24 H new ATOM 617 N THR A 39 -19.384 3.884 1.127 1.00 0.10 N ATOM 618 CA THR A 39 -19.016 4.475 2.409 1.00 0.08 C ATOM 619 C THR A 39 -18.744 5.970 2.264 1.00 0.08 C ATOM 620 O THR A 39 -19.484 6.800 2.794 1.00 0.10 O ATOM 621 CB THR A 39 -17.785 3.773 2.986 1.00 0.06 C ATOM 622 OG1 THR A 39 -17.735 2.421 2.565 1.00 1.17 O ATOM 623 CG2 THR A 39 -17.745 3.783 4.499 1.00 1.27 C ATOM 0 H THR A 39 -20.360 3.596 1.061 1.00 0.10 H new ATOM 0 HA THR A 39 -19.854 4.343 3.093 1.00 0.08 H new ATOM 0 HB THR A 39 -16.930 4.336 2.611 1.00 0.06 H new ATOM 0 HG1 THR A 39 -16.940 1.990 2.943 1.00 1.17 H new ATOM 0 HG21 THR A 39 -16.847 3.269 4.843 1.00 1.27 H new ATOM 0 HG22 THR A 39 -17.733 4.813 4.856 1.00 1.27 H new ATOM 0 HG23 THR A 39 -18.626 3.274 4.890 1.00 1.27 H new ATOM 631 N GLU A 40 -17.679 6.306 1.545 1.00 0.06 N ATOM 632 CA GLU A 40 -17.306 7.700 1.331 1.00 0.06 C ATOM 633 C GLU A 40 -16.609 7.873 -0.015 1.00 0.06 C ATOM 634 O GLU A 40 -15.724 8.715 -0.164 1.00 0.17 O ATOM 635 CB GLU A 40 -16.392 8.180 2.461 1.00 0.07 C ATOM 636 CG GLU A 40 -16.478 9.676 2.725 1.00 1.25 C ATOM 637 CD GLU A 40 -15.234 10.429 2.290 1.00 2.16 C ATOM 638 OE1 GLU A 40 -14.383 9.829 1.600 1.00 2.88 O ATOM 639 OE2 GLU A 40 -15.111 11.621 2.641 1.00 2.71 O ATOM 0 H GLU A 40 -17.057 5.631 1.100 1.00 0.06 H new ATOM 0 HA GLU A 40 -18.215 8.302 1.328 1.00 0.06 H new ATOM 0 HB2 GLU A 40 -16.647 7.644 3.375 1.00 0.07 H new ATOM 0 HB3 GLU A 40 -15.361 7.922 2.217 1.00 0.07 H new ATOM 0 HG2 GLU A 40 -17.343 10.082 2.201 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -16.643 9.842 3.790 1.00 1.25 H new ATOM 646 N ALA A 41 -17.013 7.070 -0.993 1.00 0.07 N ATOM 647 CA ALA A 41 -16.426 7.134 -2.327 1.00 0.07 C ATOM 648 C ALA A 41 -14.972 6.674 -2.310 1.00 0.05 C ATOM 649 O ALA A 41 -14.284 6.789 -1.295 1.00 0.05 O ATOM 650 CB ALA A 41 -16.526 8.548 -2.883 1.00 0.08 C ATOM 0 H ALA A 41 -17.745 6.367 -0.887 1.00 0.07 H new ATOM 0 HA ALA A 41 -16.987 6.460 -2.975 1.00 0.07 H new ATOM 0 HB1 ALA A 41 -16.084 8.580 -3.879 1.00 0.08 H new ATOM 0 HB2 ALA A 41 -17.574 8.843 -2.942 1.00 0.08 H new ATOM 0 HB3 ALA A 41 -15.992 9.236 -2.227 1.00 0.08 H new ATOM 656 N PRO A 42 -14.487 6.147 -3.443 1.00 0.07 N ATOM 657 CA PRO A 42 -13.108 5.666 -3.571 1.00 0.05 C ATOM 658 C PRO A 42 -12.089 6.803 -3.585 1.00 0.03 C ATOM 659 O PRO A 42 -10.915 6.598 -3.277 1.00 0.05 O ATOM 660 CB PRO A 42 -13.110 4.940 -4.917 1.00 0.05 C ATOM 661 CG PRO A 42 -14.199 5.592 -5.696 1.00 0.07 C ATOM 662 CD PRO A 42 -15.251 5.982 -4.693 1.00 0.12 C ATOM 0 HA PRO A 42 -12.820 5.038 -2.728 1.00 0.05 H new ATOM 0 HB2 PRO A 42 -12.149 5.038 -5.421 1.00 0.05 H new ATOM 0 HB3 PRO A 42 -13.297 3.873 -4.792 1.00 0.05 H new ATOM 0 HG2 PRO A 42 -13.827 6.466 -6.231 1.00 0.07 H new ATOM 0 HG3 PRO A 42 -14.606 4.911 -6.443 1.00 0.07 H new ATOM 0 HD2 PRO A 42 -15.757 6.904 -4.979 1.00 0.12 H new ATOM 0 HD3 PRO A 42 -16.018 5.214 -4.596 1.00 0.12 H new ATOM 670 N GLU A 43 -12.544 8.000 -3.949 1.00 0.04 N ATOM 671 CA GLU A 43 -11.672 9.168 -4.007 1.00 0.04 C ATOM 672 C GLU A 43 -10.818 9.282 -2.748 1.00 0.04 C ATOM 673 O GLU A 43 -11.338 9.345 -1.635 1.00 0.06 O ATOM 674 CB GLU A 43 -12.505 10.438 -4.186 1.00 0.07 C ATOM 675 CG GLU A 43 -12.462 11.000 -5.597 1.00 1.26 C ATOM 676 CD GLU A 43 -13.679 11.841 -5.926 1.00 2.14 C ATOM 677 OE1 GLU A 43 -14.769 11.260 -6.113 1.00 3.08 O ATOM 678 OE2 GLU A 43 -13.543 13.080 -5.997 1.00 2.42 O ATOM 0 H GLU A 43 -13.513 8.185 -4.208 1.00 0.04 H new ATOM 0 HA GLU A 43 -11.006 9.049 -4.862 1.00 0.04 H new ATOM 0 HB2 GLU A 43 -13.540 10.224 -3.921 1.00 0.07 H new ATOM 0 HB3 GLU A 43 -12.148 11.198 -3.490 1.00 0.07 H new ATOM 0 HG2 GLU A 43 -11.563 11.605 -5.716 1.00 1.26 H new ATOM 0 HG3 GLU A 43 -12.389 10.178 -6.309 1.00 1.26 H new ATOM 685 N GLY A 44 -9.502 9.311 -2.935 1.00 0.03 N ATOM 686 CA GLY A 44 -8.593 9.420 -1.810 1.00 0.04 C ATOM 687 C GLY A 44 -7.288 10.096 -2.186 1.00 0.05 C ATOM 688 O GLY A 44 -6.209 9.567 -1.918 1.00 0.10 O ATOM 0 H GLY A 44 -9.049 9.261 -3.848 1.00 0.03 H new ATOM 0 HA2 GLY A 44 -9.074 9.984 -1.011 1.00 0.04 H new ATOM 0 HA3 GLY A 44 -8.384 8.425 -1.417 1.00 0.04 H new ATOM 692 N THR A 45 -7.388 11.265 -2.811 1.00 0.06 N ATOM 693 CA THR A 45 -6.209 12.015 -3.229 1.00 0.07 C ATOM 694 C THR A 45 -5.187 12.105 -2.099 1.00 0.08 C ATOM 695 O THR A 45 -3.982 12.173 -2.343 1.00 0.17 O ATOM 696 CB THR A 45 -6.607 13.419 -3.687 1.00 0.08 C ATOM 697 OG1 THR A 45 -7.724 13.888 -2.954 1.00 1.14 O ATOM 698 CG2 THR A 45 -6.959 13.488 -5.158 1.00 1.17 C ATOM 0 H THR A 45 -8.275 11.714 -3.039 1.00 0.06 H new ATOM 0 HA THR A 45 -5.751 11.484 -4.064 1.00 0.07 H new ATOM 0 HB THR A 45 -5.731 14.042 -3.509 1.00 0.08 H new ATOM 0 HG1 THR A 45 -7.582 13.720 -1.999 1.00 1.14 H new ATOM 0 HG21 THR A 45 -7.232 14.510 -5.419 1.00 1.17 H new ATOM 0 HG22 THR A 45 -6.099 13.179 -5.753 1.00 1.17 H new ATOM 0 HG23 THR A 45 -7.799 12.824 -5.363 1.00 1.17 H new ATOM 706 N GLU A 46 -5.675 12.104 -0.862 1.00 0.08 N ATOM 707 CA GLU A 46 -4.803 12.184 0.305 1.00 0.08 C ATOM 708 C GLU A 46 -3.831 11.008 0.343 1.00 0.07 C ATOM 709 O GLU A 46 -2.624 11.182 0.179 1.00 0.12 O ATOM 710 CB GLU A 46 -5.635 12.215 1.587 1.00 0.10 C ATOM 711 CG GLU A 46 -6.165 13.596 1.935 1.00 0.94 C ATOM 712 CD GLU A 46 -6.851 14.269 0.763 1.00 1.65 C ATOM 713 OE1 GLU A 46 -7.686 13.612 0.106 1.00 2.41 O ATOM 714 OE2 GLU A 46 -6.553 15.454 0.501 1.00 2.13 O ATOM 0 H GLU A 46 -6.669 12.049 -0.642 1.00 0.08 H new ATOM 0 HA GLU A 46 -4.225 13.105 0.232 1.00 0.08 H new ATOM 0 HB2 GLU A 46 -6.475 11.529 1.482 1.00 0.10 H new ATOM 0 HB3 GLU A 46 -5.026 11.849 2.414 1.00 0.10 H new ATOM 0 HG2 GLU A 46 -6.868 13.513 2.764 1.00 0.94 H new ATOM 0 HG3 GLU A 46 -5.341 14.222 2.277 1.00 0.94 H new ATOM 721 N SER A 47 -4.367 9.809 0.559 1.00 0.09 N ATOM 722 CA SER A 47 -3.547 8.602 0.618 1.00 0.10 C ATOM 723 C SER A 47 -3.101 8.142 -0.775 1.00 0.10 C ATOM 724 O SER A 47 -2.358 7.169 -0.900 1.00 0.17 O ATOM 725 CB SER A 47 -4.319 7.477 1.311 1.00 0.13 C ATOM 726 OG SER A 47 -5.717 7.698 1.237 1.00 1.27 O ATOM 0 H SER A 47 -5.365 9.648 0.696 1.00 0.09 H new ATOM 0 HA SER A 47 -2.652 8.843 1.191 1.00 0.10 H new ATOM 0 HB2 SER A 47 -4.073 6.523 0.846 1.00 0.13 H new ATOM 0 HB3 SER A 47 -4.013 7.411 2.355 1.00 0.13 H new ATOM 0 HG SER A 47 -6.188 6.965 1.685 1.00 1.27 H new ATOM 732 N GLU A 48 -3.552 8.834 -1.822 1.00 0.07 N ATOM 733 CA GLU A 48 -3.186 8.473 -3.186 1.00 0.06 C ATOM 734 C GLU A 48 -1.728 8.820 -3.473 1.00 0.05 C ATOM 735 O GLU A 48 -1.018 8.062 -4.133 1.00 0.06 O ATOM 736 CB GLU A 48 -4.099 9.189 -4.182 1.00 0.07 C ATOM 737 CG GLU A 48 -4.916 8.244 -5.047 1.00 1.12 C ATOM 738 CD GLU A 48 -4.055 7.404 -5.969 1.00 1.72 C ATOM 739 OE1 GLU A 48 -2.864 7.202 -5.650 1.00 2.14 O ATOM 740 OE2 GLU A 48 -4.570 6.948 -7.011 1.00 2.56 O ATOM 0 H GLU A 48 -4.168 9.643 -1.749 1.00 0.07 H new ATOM 0 HA GLU A 48 -3.309 7.396 -3.296 1.00 0.06 H new ATOM 0 HB2 GLU A 48 -4.776 9.844 -3.635 1.00 0.07 H new ATOM 0 HB3 GLU A 48 -3.492 9.825 -4.826 1.00 0.07 H new ATOM 0 HG2 GLU A 48 -5.503 7.587 -4.406 1.00 1.12 H new ATOM 0 HG3 GLU A 48 -5.622 8.822 -5.643 1.00 1.12 H new ATOM 747 N VAL A 89 -1.291 9.971 -2.973 1.00 0.06 N ATOM 748 CA VAL A 89 0.081 10.422 -3.176 1.00 0.06 C ATOM 749 C VAL A 89 1.082 9.430 -2.589 1.00 0.06 C ATOM 750 O VAL A 89 2.087 9.104 -3.220 1.00 0.10 O ATOM 751 CB VAL A 89 0.313 11.808 -2.547 1.00 0.08 C ATOM 752 CG1 VAL A 89 1.646 12.386 -2.997 1.00 1.08 C ATOM 753 CG2 VAL A 89 -0.829 12.749 -2.898 1.00 1.05 C ATOM 0 H VAL A 89 -1.867 10.609 -2.424 1.00 0.06 H new ATOM 0 HA VAL A 89 0.236 10.490 -4.253 1.00 0.06 H new ATOM 0 HB VAL A 89 0.342 11.694 -1.463 1.00 0.08 H new ATOM 0 HG11 VAL A 89 1.790 13.366 -2.541 1.00 1.08 H new ATOM 0 HG12 VAL A 89 2.453 11.721 -2.690 1.00 1.08 H new ATOM 0 HG13 VAL A 89 1.651 12.487 -4.082 1.00 1.08 H new ATOM 0 HG21 VAL A 89 -0.649 13.724 -2.445 1.00 1.05 H new ATOM 0 HG22 VAL A 89 -0.891 12.857 -3.981 1.00 1.05 H new ATOM 0 HG23 VAL A 89 -1.766 12.341 -2.520 1.00 1.05 H new ATOM 763 N VAL A 90 0.800 8.949 -1.381 1.00 0.06 N ATOM 764 CA VAL A 90 1.686 7.989 -0.723 1.00 0.07 C ATOM 765 C VAL A 90 1.560 6.604 -1.349 1.00 0.08 C ATOM 766 O VAL A 90 2.522 5.838 -1.379 1.00 0.15 O ATOM 767 CB VAL A 90 1.431 7.875 0.800 1.00 0.09 C ATOM 768 CG1 VAL A 90 2.214 8.938 1.552 1.00 1.21 C ATOM 769 CG2 VAL A 90 -0.054 7.961 1.131 1.00 1.22 C ATOM 0 H VAL A 90 -0.027 9.204 -0.841 1.00 0.06 H new ATOM 0 HA VAL A 90 2.695 8.374 -0.869 1.00 0.07 H new ATOM 0 HB VAL A 90 1.779 6.893 1.121 1.00 0.09 H new ATOM 0 HG11 VAL A 90 2.023 8.843 2.621 1.00 1.21 H new ATOM 0 HG12 VAL A 90 3.279 8.808 1.361 1.00 1.21 H new ATOM 0 HG13 VAL A 90 1.902 9.926 1.214 1.00 1.21 H new ATOM 0 HG21 VAL A 90 -0.192 7.877 2.209 1.00 1.22 H new ATOM 0 HG22 VAL A 90 -0.448 8.918 0.788 1.00 1.22 H new ATOM 0 HG23 VAL A 90 -0.585 7.150 0.633 1.00 1.22 H new ATOM 779 N HIS A 91 0.371 6.288 -1.852 1.00 0.05 N ATOM 780 CA HIS A 91 0.131 4.992 -2.479 1.00 0.06 C ATOM 781 C HIS A 91 1.124 4.745 -3.610 1.00 0.07 C ATOM 782 O HIS A 91 1.638 3.638 -3.768 1.00 0.09 O ATOM 783 CB HIS A 91 -1.299 4.913 -3.014 1.00 0.08 C ATOM 784 CG HIS A 91 -2.261 4.281 -2.057 1.00 0.93 C ATOM 785 ND1 HIS A 91 -1.931 3.210 -1.253 1.00 1.42 N ATOM 786 CD2 HIS A 91 -3.553 4.575 -1.777 1.00 1.98 C ATOM 787 CE1 HIS A 91 -2.978 2.872 -0.521 1.00 2.10 C ATOM 788 NE2 HIS A 91 -3.974 3.685 -0.819 1.00 2.48 N ATOM 0 H HIS A 91 -0.439 6.908 -1.838 1.00 0.05 H new ATOM 0 HA HIS A 91 0.268 4.220 -1.722 1.00 0.06 H new ATOM 0 HB2 HIS A 91 -1.645 5.919 -3.253 1.00 0.08 H new ATOM 0 HB3 HIS A 91 -1.299 4.346 -3.945 1.00 0.08 H new ATOM 0 HD2 HIS A 91 -4.142 5.362 -2.224 1.00 1.98 H new ATOM 0 HE1 HIS A 91 -3.013 2.067 0.199 1.00 2.10 H new ATOM 0 HE2 HIS A 91 -4.906 3.657 -0.405 1.00 2.48 H new ATOM 796 N LEU A 92 1.391 5.785 -4.395 1.00 0.06 N ATOM 797 CA LEU A 92 2.326 5.679 -5.510 1.00 0.07 C ATOM 798 C LEU A 92 3.761 5.606 -5.004 1.00 0.09 C ATOM 799 O LEU A 92 4.538 4.751 -5.428 1.00 0.14 O ATOM 800 CB LEU A 92 2.170 6.873 -6.453 1.00 0.07 C ATOM 801 CG LEU A 92 0.731 7.337 -6.685 1.00 1.34 C ATOM 802 CD1 LEU A 92 0.567 8.793 -6.278 1.00 2.23 C ATOM 803 CD2 LEU A 92 0.340 7.141 -8.142 1.00 2.19 C ATOM 0 H LEU A 92 0.974 6.709 -4.280 1.00 0.06 H new ATOM 0 HA LEU A 92 2.100 4.763 -6.056 1.00 0.07 H new ATOM 0 HB2 LEU A 92 2.744 7.709 -6.053 1.00 0.07 H new ATOM 0 HB3 LEU A 92 2.611 6.615 -7.416 1.00 0.07 H new ATOM 0 HG LEU A 92 0.068 6.733 -6.065 1.00 1.34 H new ATOM 0 HD11 LEU A 92 -0.463 9.105 -6.450 1.00 2.23 H new ATOM 0 HD12 LEU A 92 0.808 8.905 -5.221 1.00 2.23 H new ATOM 0 HD13 LEU A 92 1.238 9.414 -6.871 1.00 2.23 H new ATOM 0 HD21 LEU A 92 -0.687 7.476 -8.291 1.00 2.19 H new ATOM 0 HD22 LEU A 92 1.007 7.721 -8.779 1.00 2.19 H new ATOM 0 HD23 LEU A 92 0.419 6.085 -8.401 1.00 2.19 H new ATOM 815 N THR A 93 4.104 6.510 -4.094 1.00 0.07 N ATOM 816 CA THR A 93 5.445 6.556 -3.526 1.00 0.10 C ATOM 817 C THR A 93 5.804 5.224 -2.875 1.00 0.11 C ATOM 818 O THR A 93 6.863 4.657 -3.144 1.00 0.15 O ATOM 819 CB THR A 93 5.544 7.686 -2.501 1.00 0.11 C ATOM 820 OG1 THR A 93 4.512 8.634 -2.701 1.00 0.44 O ATOM 821 CG2 THR A 93 6.863 8.425 -2.550 1.00 0.42 C ATOM 0 H THR A 93 3.470 7.223 -3.733 1.00 0.07 H new ATOM 0 HA THR A 93 6.153 6.745 -4.333 1.00 0.10 H new ATOM 0 HB THR A 93 5.454 7.203 -1.528 1.00 0.11 H new ATOM 0 HG1 THR A 93 4.591 9.349 -2.035 1.00 0.44 H new ATOM 0 HG21 THR A 93 6.867 9.213 -1.797 1.00 0.42 H new ATOM 0 HG22 THR A 93 7.678 7.729 -2.350 1.00 0.42 H new ATOM 0 HG23 THR A 93 6.997 8.866 -3.538 1.00 0.42 H new ATOM 829 N LEU A 94 4.915 4.727 -2.019 1.00 0.08 N ATOM 830 CA LEU A 94 5.142 3.459 -1.337 1.00 0.10 C ATOM 831 C LEU A 94 5.175 2.309 -2.338 1.00 0.11 C ATOM 832 O LEU A 94 6.001 1.403 -2.231 1.00 0.13 O ATOM 833 CB LEU A 94 4.053 3.211 -0.291 1.00 0.10 C ATOM 834 CG LEU A 94 4.456 3.516 1.154 1.00 1.23 C ATOM 835 CD1 LEU A 94 3.336 3.138 2.111 1.00 1.74 C ATOM 836 CD2 LEU A 94 5.740 2.782 1.515 1.00 2.20 C ATOM 0 H LEU A 94 4.034 5.183 -1.783 1.00 0.08 H new ATOM 0 HA LEU A 94 6.107 3.512 -0.834 1.00 0.10 H new ATOM 0 HB2 LEU A 94 3.183 3.817 -0.544 1.00 0.10 H new ATOM 0 HB3 LEU A 94 3.743 2.168 -0.353 1.00 0.10 H new ATOM 0 HG LEU A 94 4.636 4.587 1.243 1.00 1.23 H new ATOM 0 HD11 LEU A 94 3.640 3.362 3.134 1.00 1.74 H new ATOM 0 HD12 LEU A 94 2.440 3.708 1.866 1.00 1.74 H new ATOM 0 HD13 LEU A 94 3.124 2.073 2.020 1.00 1.74 H new ATOM 0 HD21 LEU A 94 6.012 3.010 2.546 1.00 2.20 H new ATOM 0 HD22 LEU A 94 5.587 1.708 1.409 1.00 2.20 H new ATOM 0 HD23 LEU A 94 6.541 3.102 0.849 1.00 2.20 H new ATOM 848 N ARG A 95 4.273 2.355 -3.313 1.00 0.09 N ATOM 849 CA ARG A 95 4.201 1.320 -4.338 1.00 0.11 C ATOM 850 C ARG A 95 5.489 1.282 -5.154 1.00 0.12 C ATOM 851 O ARG A 95 6.080 0.221 -5.353 1.00 0.13 O ATOM 852 CB ARG A 95 3.005 1.568 -5.261 1.00 0.14 C ATOM 853 CG ARG A 95 2.849 0.521 -6.353 1.00 0.63 C ATOM 854 CD ARG A 95 2.243 1.117 -7.613 1.00 1.18 C ATOM 855 NE ARG A 95 3.255 1.726 -8.473 1.00 2.03 N ATOM 856 CZ ARG A 95 4.179 1.035 -9.137 1.00 2.62 C ATOM 857 NH1 ARG A 95 4.234 -0.289 -9.038 1.00 2.72 N ATOM 858 NH2 ARG A 95 5.055 1.671 -9.904 1.00 3.67 N ATOM 0 H ARG A 95 3.582 3.098 -3.415 1.00 0.09 H new ATOM 0 HA ARG A 95 4.073 0.357 -3.843 1.00 0.11 H new ATOM 0 HB2 ARG A 95 2.095 1.594 -4.662 1.00 0.14 H new ATOM 0 HB3 ARG A 95 3.111 2.549 -5.723 1.00 0.14 H new ATOM 0 HG2 ARG A 95 3.822 0.088 -6.585 1.00 0.63 H new ATOM 0 HG3 ARG A 95 2.217 -0.291 -5.993 1.00 0.63 H new ATOM 0 HD2 ARG A 95 1.718 0.338 -8.166 1.00 1.18 H new ATOM 0 HD3 ARG A 95 1.502 1.867 -7.339 1.00 1.18 H new ATOM 0 HE ARG A 95 3.253 2.741 -8.570 1.00 2.03 H new ATOM 0 HH11 ARG A 95 3.565 -0.785 -8.449 1.00 2.72 H new ATOM 0 HH12 ARG A 95 4.946 -0.810 -9.551 1.00 2.72 H new ATOM 0 HH21 ARG A 95 5.020 2.687 -9.984 1.00 3.67 H new ATOM 0 HH22 ARG A 95 5.764 1.144 -10.414 1.00 3.67 H new ATOM 872 N GLN A 96 5.918 2.450 -5.620 1.00 0.15 N ATOM 873 CA GLN A 96 7.138 2.557 -6.413 1.00 0.19 C ATOM 874 C GLN A 96 8.369 2.316 -5.547 1.00 0.17 C ATOM 875 O GLN A 96 9.381 1.797 -6.017 1.00 0.20 O ATOM 876 CB GLN A 96 7.223 3.938 -7.067 1.00 0.24 C ATOM 877 CG GLN A 96 6.924 3.926 -8.556 1.00 1.31 C ATOM 878 CD GLN A 96 7.522 5.115 -9.282 1.00 1.89 C ATOM 879 OE1 GLN A 96 8.742 5.262 -9.358 1.00 2.34 O ATOM 880 NE2 GLN A 96 6.663 5.973 -9.820 1.00 2.69 N ATOM 0 H GLN A 96 5.439 3.337 -5.462 1.00 0.15 H new ATOM 0 HA GLN A 96 7.107 1.794 -7.191 1.00 0.19 H new ATOM 0 HB2 GLN A 96 6.523 4.610 -6.570 1.00 0.24 H new ATOM 0 HB3 GLN A 96 8.222 4.345 -6.909 1.00 0.24 H new ATOM 0 HG2 GLN A 96 7.312 3.006 -8.993 1.00 1.31 H new ATOM 0 HG3 GLN A 96 5.844 3.919 -8.706 1.00 1.31 H new ATOM 0 HE21 GLN A 96 5.660 5.812 -9.733 1.00 2.69 H new ATOM 0 HE22 GLN A 96 7.007 6.793 -10.320 1.00 2.69 H new ATOM 889 N ALA A 97 8.274 2.701 -4.279 1.00 0.15 N ATOM 890 CA ALA A 97 9.376 2.533 -3.341 1.00 0.18 C ATOM 891 C ALA A 97 9.916 1.106 -3.370 1.00 0.19 C ATOM 892 O ALA A 97 11.118 0.889 -3.512 1.00 0.23 O ATOM 893 CB ALA A 97 8.928 2.905 -1.934 1.00 0.18 C ATOM 0 H ALA A 97 7.442 3.133 -3.877 1.00 0.15 H new ATOM 0 HA ALA A 97 10.183 3.200 -3.644 1.00 0.18 H new ATOM 0 HB1 ALA A 97 9.760 2.776 -1.241 1.00 0.18 H new ATOM 0 HB2 ALA A 97 8.602 3.945 -1.919 1.00 0.18 H new ATOM 0 HB3 ALA A 97 8.102 2.261 -1.633 1.00 0.18 H new ATOM 899 N GLY A 98 9.021 0.135 -3.230 1.00 0.18 N ATOM 900 CA GLY A 98 9.432 -1.257 -3.238 1.00 0.23 C ATOM 901 C GLY A 98 10.052 -1.683 -4.556 1.00 0.25 C ATOM 902 O GLY A 98 11.070 -2.374 -4.575 1.00 0.39 O ATOM 0 H GLY A 98 8.019 0.286 -3.111 1.00 0.18 H new ATOM 0 HA2 GLY A 98 10.149 -1.423 -2.434 1.00 0.23 H new ATOM 0 HA3 GLY A 98 8.567 -1.887 -3.029 1.00 0.23 H new ATOM 906 N ASP A 99 9.434 -1.274 -5.659 1.00 0.34 N ATOM 907 CA ASP A 99 9.926 -1.622 -6.988 1.00 0.39 C ATOM 908 C ASP A 99 11.382 -1.198 -7.168 1.00 0.31 C ATOM 909 O ASP A 99 12.225 -1.996 -7.578 1.00 0.28 O ATOM 910 CB ASP A 99 9.056 -0.963 -8.060 1.00 0.54 C ATOM 911 CG ASP A 99 8.706 -1.914 -9.188 1.00 0.92 C ATOM 912 OD1 ASP A 99 9.357 -2.974 -9.295 1.00 1.66 O ATOM 913 OD2 ASP A 99 7.781 -1.597 -9.965 1.00 1.40 O ATOM 0 H ASP A 99 8.591 -0.700 -5.659 1.00 0.34 H new ATOM 0 HA ASP A 99 9.872 -2.706 -7.093 1.00 0.39 H new ATOM 0 HB2 ASP A 99 8.138 -0.594 -7.602 1.00 0.54 H new ATOM 0 HB3 ASP A 99 9.580 -0.098 -8.467 1.00 0.54 H new ATOM 918 N ASP A 100 11.666 0.063 -6.864 1.00 0.35 N ATOM 919 CA ASP A 100 13.015 0.601 -6.994 1.00 0.38 C ATOM 920 C ASP A 100 14.009 -0.183 -6.141 1.00 0.31 C ATOM 921 O ASP A 100 15.177 -0.323 -6.505 1.00 0.39 O ATOM 922 CB ASP A 100 13.027 2.075 -6.594 1.00 0.47 C ATOM 923 CG ASP A 100 13.250 2.997 -7.776 1.00 0.66 C ATOM 924 OD1 ASP A 100 13.897 2.566 -8.753 1.00 1.57 O ATOM 925 OD2 ASP A 100 12.776 4.152 -7.724 1.00 1.00 O ATOM 0 H ASP A 100 10.977 0.734 -6.524 1.00 0.35 H new ATOM 0 HA ASP A 100 13.320 0.506 -8.036 1.00 0.38 H new ATOM 0 HB2 ASP A 100 12.080 2.326 -6.116 1.00 0.47 H new ATOM 0 HB3 ASP A 100 13.811 2.241 -5.855 1.00 0.47 H new ATOM 930 N PHE A 101 13.542 -0.692 -5.006 1.00 0.30 N ATOM 931 CA PHE A 101 14.397 -1.460 -4.107 1.00 0.39 C ATOM 932 C PHE A 101 14.708 -2.836 -4.686 1.00 0.29 C ATOM 933 O PHE A 101 15.865 -3.253 -4.736 1.00 0.35 O ATOM 934 CB PHE A 101 13.729 -1.622 -2.742 1.00 0.59 C ATOM 935 CG PHE A 101 14.534 -2.446 -1.779 1.00 0.56 C ATOM 936 CD1 PHE A 101 15.739 -1.977 -1.284 1.00 1.07 C ATOM 937 CD2 PHE A 101 14.086 -3.691 -1.371 1.00 1.21 C ATOM 938 CE1 PHE A 101 16.482 -2.734 -0.397 1.00 1.54 C ATOM 939 CE2 PHE A 101 14.824 -4.454 -0.486 1.00 1.64 C ATOM 940 CZ PHE A 101 16.023 -3.974 0.002 1.00 1.66 C ATOM 0 H PHE A 101 12.579 -0.587 -4.687 1.00 0.30 H new ATOM 0 HA PHE A 101 15.331 -0.910 -3.990 1.00 0.39 H new ATOM 0 HB2 PHE A 101 13.558 -0.636 -2.310 1.00 0.59 H new ATOM 0 HB3 PHE A 101 12.752 -2.085 -2.877 1.00 0.59 H new ATOM 0 HD1 PHE A 101 16.103 -1.009 -1.594 1.00 1.07 H new ATOM 0 HD2 PHE A 101 13.148 -4.071 -1.749 1.00 1.21 H new ATOM 0 HE1 PHE A 101 17.420 -2.356 -0.017 1.00 1.54 H new ATOM 0 HE2 PHE A 101 14.463 -5.424 -0.177 1.00 1.64 H new ATOM 0 HZ PHE A 101 16.601 -4.567 0.695 1.00 1.66 H new ATOM 950 N SER A 102 13.665 -3.537 -5.115 1.00 0.27 N ATOM 951 CA SER A 102 13.819 -4.870 -5.684 1.00 0.30 C ATOM 952 C SER A 102 14.797 -4.859 -6.857 1.00 0.26 C ATOM 953 O SER A 102 15.531 -5.824 -7.072 1.00 0.36 O ATOM 954 CB SER A 102 12.462 -5.408 -6.139 1.00 0.42 C ATOM 955 OG SER A 102 11.501 -4.369 -6.214 1.00 1.36 O ATOM 0 H SER A 102 12.702 -3.203 -5.079 1.00 0.27 H new ATOM 0 HA SER A 102 14.223 -5.523 -4.910 1.00 0.30 H new ATOM 0 HB2 SER A 102 12.564 -5.884 -7.114 1.00 0.42 H new ATOM 0 HB3 SER A 102 12.120 -6.175 -5.444 1.00 0.42 H new ATOM 0 HG SER A 102 11.187 -4.149 -5.312 1.00 1.36 H new ATOM 961 N ARG A 103 14.800 -3.766 -7.612 1.00 0.19 N ATOM 962 CA ARG A 103 15.687 -3.637 -8.763 1.00 0.20 C ATOM 963 C ARG A 103 17.137 -3.449 -8.322 1.00 0.20 C ATOM 964 O ARG A 103 18.064 -3.845 -9.028 1.00 0.33 O ATOM 965 CB ARG A 103 15.253 -2.462 -9.640 1.00 0.20 C ATOM 966 CG ARG A 103 16.278 -2.084 -10.696 1.00 1.19 C ATOM 967 CD ARG A 103 15.619 -1.669 -12.004 1.00 2.03 C ATOM 968 NE ARG A 103 14.971 -2.797 -12.677 1.00 2.62 N ATOM 969 CZ ARG A 103 13.666 -3.076 -12.615 1.00 3.40 C ATOM 970 NH1 ARG A 103 12.837 -2.339 -11.881 1.00 3.78 N ATOM 971 NH2 ARG A 103 13.188 -4.115 -13.286 1.00 4.15 N ATOM 0 H ARG A 103 14.200 -2.958 -7.448 1.00 0.19 H new ATOM 0 HA ARG A 103 15.621 -4.558 -9.342 1.00 0.20 H new ATOM 0 HB2 ARG A 103 14.313 -2.713 -10.131 1.00 0.20 H new ATOM 0 HB3 ARG A 103 15.060 -1.597 -9.006 1.00 0.20 H new ATOM 0 HG2 ARG A 103 16.896 -1.266 -10.326 1.00 1.19 H new ATOM 0 HG3 ARG A 103 16.942 -2.929 -10.876 1.00 1.19 H new ATOM 0 HD2 ARG A 103 14.880 -0.892 -11.807 1.00 2.03 H new ATOM 0 HD3 ARG A 103 16.369 -1.235 -12.665 1.00 2.03 H new ATOM 0 HE ARG A 103 15.560 -3.416 -13.235 1.00 2.62 H new ATOM 0 HH11 ARG A 103 13.194 -1.544 -11.352 1.00 3.78 H new ATOM 0 HH12 ARG A 103 11.844 -2.569 -11.847 1.00 3.78 H new ATOM 0 HH21 ARG A 103 13.815 -4.694 -13.844 1.00 4.15 H new ATOM 0 HH22 ARG A 103 12.193 -4.335 -13.244 1.00 4.15 H new ATOM 985 N ARG A 104 17.326 -2.842 -7.155 1.00 0.17 N ATOM 986 CA ARG A 104 18.666 -2.603 -6.628 1.00 0.20 C ATOM 987 C ARG A 104 19.239 -3.868 -5.996 1.00 0.21 C ATOM 988 O ARG A 104 20.393 -4.223 -6.234 1.00 0.25 O ATOM 989 CB ARG A 104 18.639 -1.471 -5.599 1.00 0.23 C ATOM 990 CG ARG A 104 19.035 -0.118 -6.169 1.00 0.79 C ATOM 991 CD ARG A 104 20.407 -0.166 -6.824 1.00 1.27 C ATOM 992 NE ARG A 104 21.351 0.745 -6.181 1.00 2.21 N ATOM 993 CZ ARG A 104 21.212 2.069 -6.164 1.00 2.87 C ATOM 994 NH1 ARG A 104 20.179 2.648 -6.767 1.00 2.96 N ATOM 995 NH2 ARG A 104 22.112 2.820 -5.544 1.00 3.93 N ATOM 0 H ARG A 104 16.571 -2.507 -6.557 1.00 0.17 H new ATOM 0 HA ARG A 104 19.308 -2.313 -7.460 1.00 0.20 H new ATOM 0 HB2 ARG A 104 17.636 -1.399 -5.178 1.00 0.23 H new ATOM 0 HB3 ARG A 104 19.312 -1.721 -4.779 1.00 0.23 H new ATOM 0 HG2 ARG A 104 18.293 0.200 -6.901 1.00 0.79 H new ATOM 0 HG3 ARG A 104 19.037 0.626 -5.373 1.00 0.79 H new ATOM 0 HD2 ARG A 104 20.796 -1.183 -6.778 1.00 1.27 H new ATOM 0 HD3 ARG A 104 20.315 0.092 -7.879 1.00 1.27 H new ATOM 0 HE ARG A 104 22.165 0.343 -5.717 1.00 2.21 H new ATOM 0 HH11 ARG A 104 19.484 2.077 -7.248 1.00 2.96 H new ATOM 0 HH12 ARG A 104 20.081 3.663 -6.748 1.00 2.96 H new ATOM 0 HH21 ARG A 104 22.909 2.383 -5.081 1.00 3.93 H new ATOM 0 HH22 ARG A 104 22.007 3.835 -5.530 1.00 3.93 H new ATOM 1009 N TYR A 105 18.426 -4.544 -5.191 1.00 0.20 N ATOM 1010 CA TYR A 105 18.852 -5.770 -4.527 1.00 0.25 C ATOM 1011 C TYR A 105 18.207 -6.988 -5.182 1.00 0.24 C ATOM 1012 O TYR A 105 17.179 -7.483 -4.719 1.00 0.41 O ATOM 1013 CB TYR A 105 18.491 -5.723 -3.038 1.00 0.35 C ATOM 1014 CG TYR A 105 19.044 -4.513 -2.315 1.00 0.26 C ATOM 1015 CD1 TYR A 105 18.627 -3.229 -2.647 1.00 0.56 C ATOM 1016 CD2 TYR A 105 19.986 -4.654 -1.302 1.00 0.81 C ATOM 1017 CE1 TYR A 105 19.132 -2.123 -1.991 1.00 0.79 C ATOM 1018 CE2 TYR A 105 20.496 -3.552 -0.643 1.00 0.94 C ATOM 1019 CZ TYR A 105 20.066 -2.290 -0.992 1.00 0.77 C ATOM 1020 OH TYR A 105 20.574 -1.189 -0.342 1.00 1.08 O ATOM 0 H TYR A 105 17.468 -4.263 -4.983 1.00 0.20 H new ATOM 0 HA TYR A 105 19.934 -5.854 -4.626 1.00 0.25 H new ATOM 0 HB2 TYR A 105 17.406 -5.731 -2.936 1.00 0.35 H new ATOM 0 HB3 TYR A 105 18.864 -6.626 -2.554 1.00 0.35 H new ATOM 0 HD1 TYR A 105 17.896 -3.094 -3.431 1.00 0.56 H new ATOM 0 HD2 TYR A 105 20.325 -5.642 -1.026 1.00 0.81 H new ATOM 0 HE1 TYR A 105 18.796 -1.132 -2.260 1.00 0.79 H new ATOM 0 HE2 TYR A 105 21.228 -3.679 0.141 1.00 0.94 H new ATOM 0 HH TYR A 105 21.220 -1.478 0.335 1.00 1.08 H new ATOM 1030 N ARG A 106 18.813 -7.461 -6.267 1.00 0.16 N ATOM 1031 CA ARG A 106 18.294 -8.617 -6.992 1.00 0.16 C ATOM 1032 C ARG A 106 19.119 -9.866 -6.703 1.00 0.20 C ATOM 1033 O ARG A 106 19.289 -10.723 -7.571 1.00 0.31 O ATOM 1034 CB ARG A 106 18.289 -8.336 -8.497 1.00 0.18 C ATOM 1035 CG ARG A 106 19.670 -8.388 -9.133 1.00 1.32 C ATOM 1036 CD ARG A 106 19.989 -7.103 -9.880 1.00 2.01 C ATOM 1037 NE ARG A 106 20.778 -7.348 -11.085 1.00 2.84 N ATOM 1038 CZ ARG A 106 22.032 -7.799 -11.074 1.00 3.71 C ATOM 1039 NH1 ARG A 106 22.646 -8.054 -9.925 1.00 3.97 N ATOM 1040 NH2 ARG A 106 22.675 -7.993 -12.218 1.00 4.66 N ATOM 0 H ARG A 106 19.664 -7.062 -6.664 1.00 0.16 H new ATOM 0 HA ARG A 106 17.274 -8.795 -6.653 1.00 0.16 H new ATOM 0 HB2 ARG A 106 17.643 -9.062 -8.991 1.00 0.18 H new ATOM 0 HB3 ARG A 106 17.855 -7.352 -8.673 1.00 0.18 H new ATOM 0 HG2 ARG A 106 20.421 -8.557 -8.361 1.00 1.32 H new ATOM 0 HG3 ARG A 106 19.723 -9.232 -9.820 1.00 1.32 H new ATOM 0 HD2 ARG A 106 19.060 -6.602 -10.152 1.00 2.01 H new ATOM 0 HD3 ARG A 106 20.535 -6.427 -9.221 1.00 2.01 H new ATOM 0 HE ARG A 106 20.343 -7.163 -11.989 1.00 2.84 H new ATOM 0 HH11 ARG A 106 22.158 -7.905 -9.042 1.00 3.97 H new ATOM 0 HH12 ARG A 106 23.606 -8.399 -9.925 1.00 3.97 H new ATOM 0 HH21 ARG A 106 22.210 -7.797 -13.104 1.00 4.66 H new ATOM 0 HH22 ARG A 106 23.635 -8.338 -12.211 1.00 4.66 H new ATOM 1054 N ARG A 107 19.634 -9.964 -5.482 1.00 0.20 N ATOM 1055 CA ARG A 107 20.445 -11.111 -5.089 1.00 0.22 C ATOM 1056 C ARG A 107 20.603 -11.176 -3.573 1.00 0.25 C ATOM 1057 O ARG A 107 21.650 -11.580 -3.066 1.00 0.34 O ATOM 1058 CB ARG A 107 21.821 -11.047 -5.758 1.00 0.25 C ATOM 1059 CG ARG A 107 22.456 -9.663 -5.741 1.00 1.30 C ATOM 1060 CD ARG A 107 23.302 -9.452 -4.495 1.00 2.05 C ATOM 1061 NE ARG A 107 24.482 -10.312 -4.485 1.00 2.54 N ATOM 1062 CZ ARG A 107 25.578 -10.067 -3.768 1.00 3.72 C ATOM 1063 NH1 ARG A 107 25.651 -8.993 -2.989 1.00 4.36 N ATOM 1064 NH2 ARG A 107 26.606 -10.903 -3.826 1.00 4.46 N ATOM 0 H ARG A 107 19.505 -9.266 -4.750 1.00 0.20 H new ATOM 0 HA ARG A 107 19.932 -12.014 -5.419 1.00 0.22 H new ATOM 0 HB2 ARG A 107 22.489 -11.748 -5.258 1.00 0.25 H new ATOM 0 HB3 ARG A 107 21.726 -11.379 -6.792 1.00 0.25 H new ATOM 0 HG2 ARG A 107 23.076 -9.535 -6.629 1.00 1.30 H new ATOM 0 HG3 ARG A 107 21.676 -8.903 -5.785 1.00 1.30 H new ATOM 0 HD2 ARG A 107 23.613 -8.409 -4.440 1.00 2.05 H new ATOM 0 HD3 ARG A 107 22.699 -9.652 -3.609 1.00 2.05 H new ATOM 0 HE ARG A 107 24.466 -11.152 -5.063 1.00 2.54 H new ATOM 0 HH11 ARG A 107 24.863 -8.347 -2.936 1.00 4.36 H new ATOM 0 HH12 ARG A 107 26.495 -8.815 -2.444 1.00 4.36 H new ATOM 0 HH21 ARG A 107 26.557 -11.732 -4.419 1.00 4.46 H new ATOM 0 HH22 ARG A 107 27.446 -10.717 -3.278 1.00 4.46 H new ATOM 1078 N ASP A 108 19.557 -10.780 -2.856 1.00 0.23 N ATOM 1079 CA ASP A 108 19.576 -10.797 -1.398 1.00 0.26 C ATOM 1080 C ASP A 108 18.370 -11.554 -0.852 1.00 0.25 C ATOM 1081 O ASP A 108 18.505 -12.652 -0.312 1.00 0.27 O ATOM 1082 CB ASP A 108 19.590 -9.369 -0.848 1.00 0.28 C ATOM 1083 CG ASP A 108 20.804 -8.584 -1.303 1.00 1.15 C ATOM 1084 OD1 ASP A 108 20.907 -8.299 -2.515 1.00 1.90 O ATOM 1085 OD2 ASP A 108 21.652 -8.253 -0.448 1.00 2.00 O ATOM 0 H ASP A 108 18.684 -10.443 -3.262 1.00 0.23 H new ATOM 0 HA ASP A 108 20.483 -11.309 -1.076 1.00 0.26 H new ATOM 0 HB2 ASP A 108 18.686 -8.851 -1.168 1.00 0.28 H new ATOM 0 HB3 ASP A 108 19.570 -9.402 0.241 1.00 0.28 H new ATOM 1090 N PHE A 109 17.191 -10.960 -0.998 1.00 0.24 N ATOM 1091 CA PHE A 109 15.959 -11.579 -0.521 1.00 0.25 C ATOM 1092 C PHE A 109 15.541 -12.736 -1.424 1.00 0.22 C ATOM 1093 O PHE A 109 14.901 -13.684 -0.976 1.00 0.40 O ATOM 1094 CB PHE A 109 14.833 -10.549 -0.443 1.00 0.28 C ATOM 1095 CG PHE A 109 14.707 -9.696 -1.672 1.00 0.28 C ATOM 1096 CD1 PHE A 109 14.049 -10.169 -2.795 1.00 0.26 C ATOM 1097 CD2 PHE A 109 15.247 -8.421 -1.702 1.00 0.33 C ATOM 1098 CE1 PHE A 109 13.932 -9.385 -3.927 1.00 0.28 C ATOM 1099 CE2 PHE A 109 15.134 -7.632 -2.831 1.00 0.36 C ATOM 1100 CZ PHE A 109 14.476 -8.115 -3.945 1.00 0.33 C ATOM 0 H PHE A 109 17.062 -10.051 -1.443 1.00 0.24 H new ATOM 0 HA PHE A 109 16.151 -11.971 0.478 1.00 0.25 H new ATOM 0 HB2 PHE A 109 13.889 -11.068 -0.274 1.00 0.28 H new ATOM 0 HB3 PHE A 109 15.002 -9.905 0.420 1.00 0.28 H new ATOM 0 HD1 PHE A 109 13.623 -11.161 -2.786 1.00 0.26 H new ATOM 0 HD2 PHE A 109 15.762 -8.039 -0.833 1.00 0.33 H new ATOM 0 HE1 PHE A 109 13.416 -9.765 -4.797 1.00 0.28 H new ATOM 0 HE2 PHE A 109 15.560 -6.639 -2.842 1.00 0.36 H new ATOM 0 HZ PHE A 109 14.387 -7.501 -4.829 1.00 0.33 H new ATOM 1110 N ALA A 110 15.906 -12.654 -2.698 1.00 0.11 N ATOM 1111 CA ALA A 110 15.564 -13.701 -3.651 1.00 0.14 C ATOM 1112 C ALA A 110 16.154 -15.040 -3.221 1.00 0.09 C ATOM 1113 O ALA A 110 15.526 -16.088 -3.377 1.00 0.10 O ATOM 1114 CB ALA A 110 16.052 -13.329 -5.042 1.00 0.23 C ATOM 0 H ALA A 110 16.436 -11.877 -3.093 1.00 0.11 H new ATOM 0 HA ALA A 110 14.479 -13.799 -3.676 1.00 0.14 H new ATOM 0 HB1 ALA A 110 15.789 -14.121 -5.744 1.00 0.23 H new ATOM 0 HB2 ALA A 110 15.583 -12.396 -5.355 1.00 0.23 H new ATOM 0 HB3 ALA A 110 17.135 -13.203 -5.026 1.00 0.23 H new ATOM 1120 N GLU A 111 17.367 -14.996 -2.679 1.00 0.11 N ATOM 1121 CA GLU A 111 18.051 -16.201 -2.225 1.00 0.14 C ATOM 1122 C GLU A 111 17.417 -16.751 -0.951 1.00 0.13 C ATOM 1123 O GLU A 111 17.069 -17.930 -0.878 1.00 0.25 O ATOM 1124 CB GLU A 111 19.532 -15.906 -1.982 1.00 0.20 C ATOM 1125 CG GLU A 111 20.178 -15.087 -3.088 1.00 1.19 C ATOM 1126 CD GLU A 111 21.683 -14.982 -2.931 1.00 1.98 C ATOM 1127 OE1 GLU A 111 22.141 -14.614 -1.829 1.00 2.89 O ATOM 1128 OE2 GLU A 111 22.403 -15.267 -3.911 1.00 2.33 O ATOM 0 H GLU A 111 17.898 -14.136 -2.543 1.00 0.11 H new ATOM 0 HA GLU A 111 17.955 -16.955 -3.006 1.00 0.14 H new ATOM 0 HB2 GLU A 111 19.638 -15.373 -1.037 1.00 0.20 H new ATOM 0 HB3 GLU A 111 20.069 -16.849 -1.878 1.00 0.20 H new ATOM 0 HG2 GLU A 111 19.947 -15.539 -4.052 1.00 1.19 H new ATOM 0 HG3 GLU A 111 19.746 -14.086 -3.094 1.00 1.19 H new ATOM 1135 N MET A 112 17.273 -15.892 0.054 1.00 0.12 N ATOM 1136 CA MET A 112 16.686 -16.296 1.328 1.00 0.14 C ATOM 1137 C MET A 112 15.321 -16.949 1.121 1.00 0.11 C ATOM 1138 O MET A 112 14.895 -17.782 1.922 1.00 0.15 O ATOM 1139 CB MET A 112 16.566 -15.092 2.270 1.00 0.19 C ATOM 1140 CG MET A 112 15.325 -14.240 2.040 1.00 0.51 C ATOM 1141 SD MET A 112 14.077 -14.468 3.321 1.00 1.31 S ATOM 1142 CE MET A 112 13.197 -12.911 3.215 1.00 1.65 C ATOM 0 H MET A 112 17.554 -14.913 0.011 1.00 0.12 H new ATOM 0 HA MET A 112 17.347 -17.032 1.785 1.00 0.14 H new ATOM 0 HB2 MET A 112 16.562 -15.450 3.300 1.00 0.19 H new ATOM 0 HB3 MET A 112 17.450 -14.465 2.154 1.00 0.19 H new ATOM 0 HG2 MET A 112 15.613 -13.189 2.002 1.00 0.51 H new ATOM 0 HG3 MET A 112 14.894 -14.488 1.070 1.00 0.51 H new ATOM 0 HE1 MET A 112 12.125 -13.093 3.290 1.00 1.65 H new ATOM 0 HE2 MET A 112 13.512 -12.259 4.030 1.00 1.65 H new ATOM 0 HE3 MET A 112 13.418 -12.432 2.261 1.00 1.65 H new ATOM 1152 N SER A 113 14.639 -16.568 0.045 1.00 0.08 N ATOM 1153 CA SER A 113 13.325 -17.119 -0.262 1.00 0.09 C ATOM 1154 C SER A 113 13.357 -18.645 -0.251 1.00 0.11 C ATOM 1155 O SER A 113 12.404 -19.292 0.183 1.00 0.18 O ATOM 1156 CB SER A 113 12.848 -16.616 -1.626 1.00 0.12 C ATOM 1157 OG SER A 113 11.496 -16.973 -1.856 1.00 1.18 O ATOM 0 H SER A 113 14.975 -15.880 -0.628 1.00 0.08 H new ATOM 0 HA SER A 113 12.628 -16.785 0.507 1.00 0.09 H new ATOM 0 HB2 SER A 113 12.955 -15.532 -1.675 1.00 0.12 H new ATOM 0 HB3 SER A 113 13.477 -17.034 -2.412 1.00 0.12 H new ATOM 0 HG SER A 113 11.451 -17.639 -2.574 1.00 1.18 H new ATOM 1163 N SER A 114 14.459 -19.215 -0.730 1.00 0.08 N ATOM 1164 CA SER A 114 14.613 -20.666 -0.772 1.00 0.12 C ATOM 1165 C SER A 114 14.599 -21.253 0.635 1.00 0.10 C ATOM 1166 O SER A 114 14.128 -22.371 0.849 1.00 0.12 O ATOM 1167 CB SER A 114 15.916 -21.041 -1.481 1.00 0.15 C ATOM 1168 OG SER A 114 15.804 -22.301 -2.119 1.00 1.16 O ATOM 0 H SER A 114 15.258 -18.695 -1.094 1.00 0.08 H new ATOM 0 HA SER A 114 13.773 -21.081 -1.329 1.00 0.12 H new ATOM 0 HB2 SER A 114 16.166 -20.278 -2.218 1.00 0.15 H new ATOM 0 HB3 SER A 114 16.732 -21.066 -0.759 1.00 0.15 H new ATOM 0 HG SER A 114 16.649 -22.517 -2.566 1.00 1.16 H new ATOM 1174 N GLN A 115 15.118 -20.490 1.591 1.00 0.07 N ATOM 1175 CA GLN A 115 15.168 -20.928 2.980 1.00 0.06 C ATOM 1176 C GLN A 115 13.766 -21.009 3.577 1.00 0.05 C ATOM 1177 O GLN A 115 13.480 -21.874 4.404 1.00 0.06 O ATOM 1178 CB GLN A 115 16.031 -19.972 3.806 1.00 0.07 C ATOM 1179 CG GLN A 115 16.875 -20.670 4.860 1.00 1.25 C ATOM 1180 CD GLN A 115 17.714 -19.702 5.672 1.00 2.14 C ATOM 1181 OE1 GLN A 115 17.463 -19.488 6.858 1.00 2.78 O ATOM 1182 NE2 GLN A 115 18.718 -19.110 5.035 1.00 2.95 N ATOM 0 H GLN A 115 15.511 -19.563 1.428 1.00 0.07 H new ATOM 0 HA GLN A 115 15.612 -21.923 3.005 1.00 0.06 H new ATOM 0 HB2 GLN A 115 16.688 -19.417 3.136 1.00 0.07 H new ATOM 0 HB3 GLN A 115 15.385 -19.243 4.295 1.00 0.07 H new ATOM 0 HG2 GLN A 115 16.223 -21.230 5.530 1.00 1.25 H new ATOM 0 HG3 GLN A 115 17.530 -21.394 4.375 1.00 1.25 H new ATOM 0 HE21 GLN A 115 18.890 -19.317 4.051 1.00 2.95 H new ATOM 0 HE22 GLN A 115 19.317 -18.449 5.530 1.00 2.95 H new ATOM 1191 N LEU A 116 12.897 -20.097 3.154 1.00 0.05 N ATOM 1192 CA LEU A 116 11.524 -20.058 3.648 1.00 0.07 C ATOM 1193 C LEU A 116 10.837 -21.409 3.476 1.00 0.06 C ATOM 1194 O LEU A 116 10.031 -21.815 4.313 1.00 0.09 O ATOM 1195 CB LEU A 116 10.725 -18.977 2.917 1.00 0.08 C ATOM 1196 CG LEU A 116 11.371 -17.591 2.895 1.00 0.26 C ATOM 1197 CD1 LEU A 116 10.490 -16.606 2.142 1.00 0.22 C ATOM 1198 CD2 LEU A 116 11.631 -17.103 4.312 1.00 0.47 C ATOM 0 H LEU A 116 13.119 -19.374 2.470 1.00 0.05 H new ATOM 0 HA LEU A 116 11.561 -19.822 4.712 1.00 0.07 H new ATOM 0 HB2 LEU A 116 10.563 -19.301 1.889 1.00 0.08 H new ATOM 0 HB3 LEU A 116 9.744 -18.895 3.384 1.00 0.08 H new ATOM 0 HG LEU A 116 12.327 -17.663 2.376 1.00 0.26 H new ATOM 0 HD11 LEU A 116 10.964 -15.625 2.136 1.00 0.22 H new ATOM 0 HD12 LEU A 116 10.354 -16.950 1.117 1.00 0.22 H new ATOM 0 HD13 LEU A 116 9.519 -16.537 2.633 1.00 0.22 H new ATOM 0 HD21 LEU A 116 12.091 -16.115 4.278 1.00 0.47 H new ATOM 0 HD22 LEU A 116 10.688 -17.046 4.856 1.00 0.47 H new ATOM 0 HD23 LEU A 116 12.301 -17.798 4.819 1.00 0.47 H new ATOM 1210 N HIS A 117 11.157 -22.098 2.385 1.00 0.06 N ATOM 1211 CA HIS A 117 10.564 -23.401 2.104 1.00 0.07 C ATOM 1212 C HIS A 117 9.111 -23.252 1.662 1.00 0.07 C ATOM 1213 O HIS A 117 8.651 -22.147 1.373 1.00 0.13 O ATOM 1214 CB HIS A 117 10.648 -24.301 3.337 1.00 0.09 C ATOM 1215 CG HIS A 117 11.235 -25.650 3.056 1.00 0.74 C ATOM 1216 ND1 HIS A 117 11.101 -26.723 3.912 1.00 1.49 N ATOM 1217 CD2 HIS A 117 11.961 -26.100 2.005 1.00 1.34 C ATOM 1218 CE1 HIS A 117 11.719 -27.772 3.401 1.00 1.94 C ATOM 1219 NE2 HIS A 117 12.248 -27.421 2.244 1.00 1.80 N ATOM 0 H HIS A 117 11.823 -21.776 1.682 1.00 0.06 H new ATOM 0 HA HIS A 117 11.126 -23.861 1.291 1.00 0.07 H new ATOM 0 HB2 HIS A 117 11.249 -23.804 4.099 1.00 0.09 H new ATOM 0 HB3 HIS A 117 9.648 -24.428 3.752 1.00 0.09 H new ATOM 0 HD2 HIS A 117 12.259 -25.526 1.140 1.00 1.34 H new ATOM 0 HE1 HIS A 117 11.781 -28.751 3.853 1.00 1.94 H new ATOM 0 HE2 HIS A 117 12.783 -28.032 1.627 1.00 1.80 H new ATOM 1227 N LEU A 118 8.393 -24.370 1.610 1.00 0.08 N ATOM 1228 CA LEU A 118 6.993 -24.359 1.200 1.00 0.08 C ATOM 1229 C LEU A 118 6.130 -25.159 2.170 1.00 0.08 C ATOM 1230 O LEU A 118 6.243 -26.382 2.256 1.00 0.18 O ATOM 1231 CB LEU A 118 6.850 -24.928 -0.213 1.00 0.09 C ATOM 1232 CG LEU A 118 7.809 -24.338 -1.248 1.00 1.01 C ATOM 1233 CD1 LEU A 118 9.202 -24.925 -1.081 1.00 1.59 C ATOM 1234 CD2 LEU A 118 7.289 -24.584 -2.657 1.00 2.26 C ATOM 0 H LEU A 118 8.757 -25.293 1.846 1.00 0.08 H new ATOM 0 HA LEU A 118 6.649 -23.325 1.207 1.00 0.08 H new ATOM 0 HB2 LEU A 118 7.003 -26.006 -0.171 1.00 0.09 H new ATOM 0 HB3 LEU A 118 5.827 -24.764 -0.553 1.00 0.09 H new ATOM 0 HG LEU A 118 7.870 -23.262 -1.087 1.00 1.01 H new ATOM 0 HD11 LEU A 118 9.870 -24.493 -1.826 1.00 1.59 H new ATOM 0 HD12 LEU A 118 9.576 -24.697 -0.083 1.00 1.59 H new ATOM 0 HD13 LEU A 118 9.160 -26.006 -1.214 1.00 1.59 H new ATOM 0 HD21 LEU A 118 7.984 -24.158 -3.381 1.00 2.26 H new ATOM 0 HD22 LEU A 118 7.198 -25.656 -2.829 1.00 2.26 H new ATOM 0 HD23 LEU A 118 6.312 -24.114 -2.771 1.00 2.26 H new ATOM 1246 N THR A 119 5.264 -24.458 2.894 1.00 0.08 N ATOM 1247 CA THR A 119 4.373 -25.095 3.857 1.00 0.09 C ATOM 1248 C THR A 119 3.536 -24.047 4.585 1.00 0.09 C ATOM 1249 O THR A 119 4.010 -22.945 4.852 1.00 0.11 O ATOM 1250 CB THR A 119 5.176 -25.917 4.866 1.00 0.11 C ATOM 1251 OG1 THR A 119 4.342 -26.374 5.916 1.00 1.01 O ATOM 1252 CG2 THR A 119 6.318 -25.147 5.491 1.00 0.97 C ATOM 0 H THR A 119 5.160 -23.445 2.832 1.00 0.08 H new ATOM 0 HA THR A 119 3.704 -25.762 3.314 1.00 0.09 H new ATOM 0 HB THR A 119 5.589 -26.750 4.297 1.00 0.11 H new ATOM 0 HG1 THR A 119 4.873 -26.899 6.551 1.00 1.01 H new ATOM 0 HG21 THR A 119 6.846 -25.788 6.197 1.00 0.97 H new ATOM 0 HG22 THR A 119 7.007 -24.821 4.712 1.00 0.97 H new ATOM 0 HG23 THR A 119 5.925 -24.276 6.016 1.00 0.97 H new ATOM 1260 N PRO A 120 2.274 -24.373 4.909 1.00 0.07 N ATOM 1261 CA PRO A 120 1.374 -23.445 5.601 1.00 0.08 C ATOM 1262 C PRO A 120 1.679 -23.321 7.091 1.00 0.08 C ATOM 1263 O PRO A 120 1.445 -22.273 7.694 1.00 0.14 O ATOM 1264 CB PRO A 120 0.000 -24.079 5.393 1.00 0.08 C ATOM 1265 CG PRO A 120 0.276 -25.539 5.285 1.00 0.08 C ATOM 1266 CD PRO A 120 1.621 -25.664 4.620 1.00 0.08 C ATOM 0 HA PRO A 120 1.464 -22.430 5.214 1.00 0.08 H new ATOM 0 HB2 PRO A 120 -0.668 -23.862 6.227 1.00 0.08 H new ATOM 0 HB3 PRO A 120 -0.481 -23.698 4.492 1.00 0.08 H new ATOM 0 HG2 PRO A 120 0.283 -26.008 6.269 1.00 0.08 H new ATOM 0 HG3 PRO A 120 -0.496 -26.039 4.700 1.00 0.08 H new ATOM 0 HD2 PRO A 120 2.191 -26.501 5.024 1.00 0.08 H new ATOM 0 HD3 PRO A 120 1.524 -25.833 3.548 1.00 0.08 H new ATOM 1274 N PHE A 121 2.191 -24.395 7.682 1.00 0.04 N ATOM 1275 CA PHE A 121 2.514 -24.401 9.106 1.00 0.06 C ATOM 1276 C PHE A 121 3.714 -23.509 9.409 1.00 0.05 C ATOM 1277 O PHE A 121 3.637 -22.616 10.252 1.00 0.05 O ATOM 1278 CB PHE A 121 2.794 -25.828 9.579 1.00 0.07 C ATOM 1279 CG PHE A 121 1.556 -26.663 9.743 1.00 1.23 C ATOM 1280 CD1 PHE A 121 0.460 -26.174 10.435 1.00 1.92 C ATOM 1281 CD2 PHE A 121 1.490 -27.938 9.206 1.00 2.30 C ATOM 1282 CE1 PHE A 121 -0.680 -26.942 10.588 1.00 2.94 C ATOM 1283 CE2 PHE A 121 0.354 -28.710 9.355 1.00 3.35 C ATOM 1284 CZ PHE A 121 -0.732 -28.212 10.047 1.00 3.53 C ATOM 0 H PHE A 121 2.391 -25.271 7.199 1.00 0.04 H new ATOM 0 HA PHE A 121 1.653 -24.005 9.644 1.00 0.06 H new ATOM 0 HB2 PHE A 121 3.458 -26.315 8.864 1.00 0.07 H new ATOM 0 HB3 PHE A 121 3.324 -25.789 10.531 1.00 0.07 H new ATOM 0 HD1 PHE A 121 0.496 -25.182 10.860 1.00 1.92 H new ATOM 0 HD2 PHE A 121 2.337 -28.333 8.664 1.00 2.30 H new ATOM 0 HE1 PHE A 121 -1.528 -26.550 11.129 1.00 2.94 H new ATOM 0 HE2 PHE A 121 0.315 -29.702 8.930 1.00 3.35 H new ATOM 0 HZ PHE A 121 -1.621 -28.814 10.165 1.00 3.53 H new ATOM 1294 N THR A 122 4.825 -23.764 8.726 1.00 0.05 N ATOM 1295 CA THR A 122 6.044 -22.990 8.933 1.00 0.06 C ATOM 1296 C THR A 122 5.941 -21.603 8.303 1.00 0.05 C ATOM 1297 O THR A 122 6.585 -20.661 8.758 1.00 0.06 O ATOM 1298 CB THR A 122 7.248 -23.733 8.356 1.00 0.08 C ATOM 1299 OG1 THR A 122 7.133 -25.127 8.583 1.00 1.05 O ATOM 1300 CG2 THR A 122 8.568 -23.281 8.942 1.00 1.14 C ATOM 0 H THR A 122 4.907 -24.500 8.025 1.00 0.05 H new ATOM 0 HA THR A 122 6.177 -22.865 10.008 1.00 0.06 H new ATOM 0 HB THR A 122 7.244 -23.504 7.290 1.00 0.08 H new ATOM 0 HG1 THR A 122 7.912 -25.585 8.205 1.00 1.05 H new ATOM 0 HG21 THR A 122 9.381 -23.849 8.489 1.00 1.14 H new ATOM 0 HG22 THR A 122 8.711 -22.219 8.741 1.00 1.14 H new ATOM 0 HG23 THR A 122 8.565 -23.449 10.019 1.00 1.14 H new ATOM 1308 N ALA A 123 5.139 -21.482 7.252 1.00 0.05 N ATOM 1309 CA ALA A 123 4.972 -20.205 6.565 1.00 0.06 C ATOM 1310 C ALA A 123 4.666 -19.076 7.546 1.00 0.05 C ATOM 1311 O ALA A 123 5.261 -18.001 7.474 1.00 0.10 O ATOM 1312 CB ALA A 123 3.869 -20.303 5.524 1.00 0.06 C ATOM 0 H ALA A 123 4.595 -22.249 6.857 1.00 0.05 H new ATOM 0 HA ALA A 123 5.914 -19.973 6.068 1.00 0.06 H new ATOM 0 HB1 ALA A 123 3.757 -19.343 5.021 1.00 0.06 H new ATOM 0 HB2 ALA A 123 4.127 -21.068 4.792 1.00 0.06 H new ATOM 0 HB3 ALA A 123 2.931 -20.568 6.012 1.00 0.06 H new ATOM 1318 N ARG A 124 3.727 -19.323 8.452 1.00 0.05 N ATOM 1319 CA ARG A 124 3.333 -18.321 9.437 1.00 0.06 C ATOM 1320 C ARG A 124 4.457 -18.037 10.431 1.00 0.05 C ATOM 1321 O ARG A 124 4.626 -16.903 10.880 1.00 0.10 O ATOM 1322 CB ARG A 124 2.081 -18.781 10.184 1.00 0.11 C ATOM 1323 CG ARG A 124 2.368 -19.331 11.571 1.00 0.74 C ATOM 1324 CD ARG A 124 1.161 -20.057 12.144 1.00 1.24 C ATOM 1325 NE ARG A 124 1.195 -20.107 13.604 1.00 2.16 N ATOM 1326 CZ ARG A 124 0.452 -20.933 14.338 1.00 2.66 C ATOM 1327 NH1 ARG A 124 -0.388 -21.783 13.756 1.00 2.57 N ATOM 1328 NH2 ARG A 124 0.550 -20.911 15.660 1.00 3.74 N ATOM 0 H ARG A 124 3.224 -20.207 8.525 1.00 0.05 H new ATOM 0 HA ARG A 124 3.117 -17.397 8.901 1.00 0.06 H new ATOM 0 HB2 ARG A 124 1.391 -17.942 10.271 1.00 0.11 H new ATOM 0 HB3 ARG A 124 1.578 -19.548 9.595 1.00 0.11 H new ATOM 0 HG2 ARG A 124 3.216 -20.014 11.524 1.00 0.74 H new ATOM 0 HG3 ARG A 124 2.652 -18.515 12.235 1.00 0.74 H new ATOM 0 HD2 ARG A 124 0.249 -19.556 11.819 1.00 1.24 H new ATOM 0 HD3 ARG A 124 1.126 -21.072 11.747 1.00 1.24 H new ATOM 0 HE ARG A 124 1.826 -19.470 14.090 1.00 2.16 H new ATOM 0 HH11 ARG A 124 -0.467 -21.806 12.739 1.00 2.57 H new ATOM 0 HH12 ARG A 124 -0.953 -22.412 14.326 1.00 2.57 H new ATOM 0 HH21 ARG A 124 1.194 -20.262 16.113 1.00 3.74 H new ATOM 0 HH22 ARG A 124 -0.018 -21.543 16.224 1.00 3.74 H new ATOM 1342 N GLY A 125 5.220 -19.069 10.776 1.00 0.08 N ATOM 1343 CA GLY A 125 6.311 -18.901 11.721 1.00 0.09 C ATOM 1344 C GLY A 125 7.571 -18.353 11.076 1.00 0.07 C ATOM 1345 O GLY A 125 8.393 -17.724 11.742 1.00 0.10 O ATOM 0 H GLY A 125 5.103 -20.017 10.419 1.00 0.08 H new ATOM 0 HA2 GLY A 125 5.994 -18.228 12.518 1.00 0.09 H new ATOM 0 HA3 GLY A 125 6.534 -19.862 12.185 1.00 0.09 H new ATOM 1349 N ARG A 126 7.726 -18.596 9.779 1.00 0.07 N ATOM 1350 CA ARG A 126 8.895 -18.128 9.045 1.00 0.09 C ATOM 1351 C ARG A 126 8.816 -16.626 8.796 1.00 0.13 C ATOM 1352 O ARG A 126 9.832 -15.932 8.795 1.00 0.23 O ATOM 1353 CB ARG A 126 9.015 -18.873 7.714 1.00 0.11 C ATOM 1354 CG ARG A 126 10.257 -19.743 7.614 1.00 1.17 C ATOM 1355 CD ARG A 126 11.504 -18.906 7.382 1.00 1.75 C ATOM 1356 NE ARG A 126 12.707 -19.730 7.294 1.00 2.55 N ATOM 1357 CZ ARG A 126 13.282 -20.320 8.340 1.00 3.46 C ATOM 1358 NH1 ARG A 126 12.772 -20.182 9.559 1.00 3.78 N ATOM 1359 NH2 ARG A 126 14.373 -21.054 8.165 1.00 4.47 N ATOM 0 H ARG A 126 7.055 -19.116 9.214 1.00 0.07 H new ATOM 0 HA ARG A 126 9.779 -18.330 9.649 1.00 0.09 H new ATOM 0 HB2 ARG A 126 8.132 -19.497 7.576 1.00 0.11 H new ATOM 0 HB3 ARG A 126 9.023 -18.148 6.901 1.00 0.11 H new ATOM 0 HG2 ARG A 126 10.371 -20.323 8.530 1.00 1.17 H new ATOM 0 HG3 ARG A 126 10.139 -20.456 6.798 1.00 1.17 H new ATOM 0 HD2 ARG A 126 11.390 -18.332 6.462 1.00 1.75 H new ATOM 0 HD3 ARG A 126 11.615 -18.188 8.194 1.00 1.75 H new ATOM 0 HE ARG A 126 13.132 -19.861 6.376 1.00 2.55 H new ATOM 0 HH11 ARG A 126 11.933 -19.620 9.700 1.00 3.78 H new ATOM 0 HH12 ARG A 126 13.220 -20.638 10.354 1.00 3.78 H new ATOM 0 HH21 ARG A 126 14.769 -21.165 7.231 1.00 4.47 H new ATOM 0 HH22 ARG A 126 14.816 -21.507 8.964 1.00 4.47 H new ATOM 1373 N PHE A 127 7.601 -16.131 8.582 1.00 0.10 N ATOM 1374 CA PHE A 127 7.389 -14.711 8.330 1.00 0.12 C ATOM 1375 C PHE A 127 7.925 -13.864 9.480 1.00 0.12 C ATOM 1376 O PHE A 127 8.722 -12.949 9.273 1.00 0.20 O ATOM 1377 CB PHE A 127 5.901 -14.423 8.121 1.00 0.14 C ATOM 1378 CG PHE A 127 5.560 -12.962 8.184 1.00 0.57 C ATOM 1379 CD1 PHE A 127 5.805 -12.133 7.101 1.00 1.28 C ATOM 1380 CD2 PHE A 127 4.998 -12.417 9.327 1.00 1.52 C ATOM 1381 CE1 PHE A 127 5.496 -10.788 7.157 1.00 1.57 C ATOM 1382 CE2 PHE A 127 4.686 -11.072 9.388 1.00 1.89 C ATOM 1383 CZ PHE A 127 4.935 -10.256 8.302 1.00 1.55 C ATOM 0 H PHE A 127 6.749 -16.692 8.578 1.00 0.10 H new ATOM 0 HA PHE A 127 7.934 -14.447 7.424 1.00 0.12 H new ATOM 0 HB2 PHE A 127 5.595 -14.818 7.152 1.00 0.14 H new ATOM 0 HB3 PHE A 127 5.326 -14.955 8.879 1.00 0.14 H new ATOM 0 HD1 PHE A 127 6.243 -12.543 6.203 1.00 1.28 H new ATOM 0 HD2 PHE A 127 4.802 -13.050 10.180 1.00 1.52 H new ATOM 0 HE1 PHE A 127 5.693 -10.153 6.306 1.00 1.57 H new ATOM 0 HE2 PHE A 127 4.248 -10.659 10.285 1.00 1.89 H new ATOM 0 HZ PHE A 127 4.692 -9.205 8.348 1.00 1.55 H new ATOM 1393 N ALA A 128 7.477 -14.173 10.692 1.00 0.05 N ATOM 1394 CA ALA A 128 7.905 -13.441 11.878 1.00 0.06 C ATOM 1395 C ALA A 128 9.415 -13.538 12.079 1.00 0.09 C ATOM 1396 O ALA A 128 10.054 -12.586 12.528 1.00 0.12 O ATOM 1397 CB ALA A 128 7.168 -13.957 13.105 1.00 0.07 C ATOM 0 H ALA A 128 6.816 -14.927 10.879 1.00 0.05 H new ATOM 0 HA ALA A 128 7.659 -12.389 11.733 1.00 0.06 H new ATOM 0 HB1 ALA A 128 7.495 -13.404 13.985 1.00 0.07 H new ATOM 0 HB2 ALA A 128 6.095 -13.821 12.969 1.00 0.07 H new ATOM 0 HB3 ALA A 128 7.385 -15.016 13.241 1.00 0.07 H new ATOM 1403 N THR A 129 9.981 -14.695 11.750 1.00 0.09 N ATOM 1404 CA THR A 129 11.416 -14.917 11.899 1.00 0.12 C ATOM 1405 C THR A 129 12.215 -14.045 10.933 1.00 0.14 C ATOM 1406 O THR A 129 13.335 -13.634 11.235 1.00 0.19 O ATOM 1407 CB THR A 129 11.748 -16.391 11.666 1.00 0.12 C ATOM 1408 OG1 THR A 129 11.086 -17.209 12.614 1.00 0.44 O ATOM 1409 CG2 THR A 129 13.227 -16.697 11.752 1.00 0.49 C ATOM 0 H THR A 129 9.468 -15.494 11.378 1.00 0.09 H new ATOM 0 HA THR A 129 11.694 -14.641 12.916 1.00 0.12 H new ATOM 0 HB THR A 129 11.410 -16.604 10.652 1.00 0.12 H new ATOM 0 HG1 THR A 129 10.169 -17.381 12.314 1.00 0.44 H new ATOM 0 HG21 THR A 129 13.389 -17.760 11.577 1.00 0.49 H new ATOM 0 HG22 THR A 129 13.763 -16.119 10.999 1.00 0.49 H new ATOM 0 HG23 THR A 129 13.596 -16.432 12.743 1.00 0.49 H new ATOM 1417 N VAL A 130 11.634 -13.771 9.769 1.00 0.16 N ATOM 1418 CA VAL A 130 12.296 -12.954 8.758 1.00 0.19 C ATOM 1419 C VAL A 130 12.233 -11.471 9.108 1.00 0.17 C ATOM 1420 O VAL A 130 13.260 -10.798 9.182 1.00 0.23 O ATOM 1421 CB VAL A 130 11.662 -13.163 7.372 1.00 0.23 C ATOM 1422 CG1 VAL A 130 12.111 -12.076 6.408 1.00 0.23 C ATOM 1423 CG2 VAL A 130 12.003 -14.544 6.832 1.00 0.52 C ATOM 0 H VAL A 130 10.707 -14.103 9.503 1.00 0.16 H new ATOM 0 HA VAL A 130 13.338 -13.272 8.733 1.00 0.19 H new ATOM 0 HB VAL A 130 10.579 -13.097 7.474 1.00 0.23 H new ATOM 0 HG11 VAL A 130 11.652 -12.242 5.433 1.00 0.23 H new ATOM 0 HG12 VAL A 130 11.808 -11.102 6.791 1.00 0.23 H new ATOM 0 HG13 VAL A 130 13.196 -12.104 6.307 1.00 0.23 H new ATOM 0 HG21 VAL A 130 11.546 -14.674 5.851 1.00 0.52 H new ATOM 0 HG22 VAL A 130 13.085 -14.644 6.745 1.00 0.52 H new ATOM 0 HG23 VAL A 130 11.623 -15.305 7.513 1.00 0.52 H new ATOM 1433 N VAL A 131 11.022 -10.965 9.323 1.00 0.13 N ATOM 1434 CA VAL A 131 10.834 -9.559 9.664 1.00 0.13 C ATOM 1435 C VAL A 131 11.664 -9.173 10.882 1.00 0.10 C ATOM 1436 O VAL A 131 12.247 -8.090 10.929 1.00 0.14 O ATOM 1437 CB VAL A 131 9.354 -9.228 9.940 1.00 0.16 C ATOM 1438 CG1 VAL A 131 8.592 -9.067 8.635 1.00 1.10 C ATOM 1439 CG2 VAL A 131 8.709 -10.294 10.816 1.00 1.08 C ATOM 0 H VAL A 131 10.159 -11.506 9.267 1.00 0.13 H new ATOM 0 HA VAL A 131 11.166 -8.984 8.800 1.00 0.13 H new ATOM 0 HB VAL A 131 9.313 -8.283 10.481 1.00 0.16 H new ATOM 0 HG11 VAL A 131 7.549 -8.834 8.849 1.00 1.10 H new ATOM 0 HG12 VAL A 131 9.033 -8.257 8.054 1.00 1.10 H new ATOM 0 HG13 VAL A 131 8.647 -9.994 8.065 1.00 1.10 H new ATOM 0 HG21 VAL A 131 7.665 -10.035 10.995 1.00 1.08 H new ATOM 0 HG22 VAL A 131 8.762 -11.260 10.313 1.00 1.08 H new ATOM 0 HG23 VAL A 131 9.237 -10.351 11.768 1.00 1.08 H new ATOM 1449 N GLU A 132 11.715 -10.064 11.866 1.00 0.10 N ATOM 1450 CA GLU A 132 12.477 -9.813 13.084 1.00 0.09 C ATOM 1451 C GLU A 132 13.893 -9.357 12.751 1.00 0.08 C ATOM 1452 O GLU A 132 14.452 -8.492 13.424 1.00 0.10 O ATOM 1453 CB GLU A 132 12.524 -11.071 13.954 1.00 0.12 C ATOM 1454 CG GLU A 132 11.919 -10.877 15.335 1.00 1.26 C ATOM 1455 CD GLU A 132 11.947 -12.143 16.170 1.00 1.95 C ATOM 1456 OE1 GLU A 132 11.784 -13.239 15.593 1.00 2.69 O ATOM 1457 OE2 GLU A 132 12.131 -12.038 17.401 1.00 2.40 O ATOM 0 H GLU A 132 11.238 -10.966 11.844 1.00 0.10 H new ATOM 0 HA GLU A 132 11.977 -9.019 13.638 1.00 0.09 H new ATOM 0 HB2 GLU A 132 11.994 -11.876 13.444 1.00 0.12 H new ATOM 0 HB3 GLU A 132 13.561 -11.390 14.062 1.00 0.12 H new ATOM 0 HG2 GLU A 132 12.462 -10.090 15.858 1.00 1.26 H new ATOM 0 HG3 GLU A 132 10.888 -10.538 15.231 1.00 1.26 H new ATOM 1464 N GLU A 133 14.469 -9.947 11.708 1.00 0.09 N ATOM 1465 CA GLU A 133 15.821 -9.602 11.285 1.00 0.11 C ATOM 1466 C GLU A 133 15.844 -8.282 10.517 1.00 0.12 C ATOM 1467 O GLU A 133 16.856 -7.581 10.506 1.00 0.16 O ATOM 1468 CB GLU A 133 16.411 -10.722 10.424 1.00 0.14 C ATOM 1469 CG GLU A 133 16.186 -10.538 8.931 1.00 0.45 C ATOM 1470 CD GLU A 133 17.339 -9.830 8.248 1.00 1.00 C ATOM 1471 OE1 GLU A 133 18.245 -9.347 8.960 1.00 1.91 O ATOM 1472 OE2 GLU A 133 17.337 -9.760 7.002 1.00 1.45 O ATOM 0 H GLU A 133 14.020 -10.666 11.141 1.00 0.09 H new ATOM 0 HA GLU A 133 16.430 -9.482 12.181 1.00 0.11 H new ATOM 0 HB2 GLU A 133 17.482 -10.787 10.614 1.00 0.14 H new ATOM 0 HB3 GLU A 133 15.974 -11.672 10.733 1.00 0.14 H new ATOM 0 HG2 GLU A 133 16.038 -11.513 8.467 1.00 0.45 H new ATOM 0 HG3 GLU A 133 15.270 -9.968 8.773 1.00 0.45 H new ATOM 1479 N LEU A 134 14.729 -7.949 9.869 1.00 0.15 N ATOM 1480 CA LEU A 134 14.640 -6.714 9.097 1.00 0.19 C ATOM 1481 C LEU A 134 14.986 -5.511 9.968 1.00 0.20 C ATOM 1482 O LEU A 134 15.616 -4.558 9.509 1.00 0.22 O ATOM 1483 CB LEU A 134 13.233 -6.553 8.503 1.00 0.22 C ATOM 1484 CG LEU A 134 13.080 -5.509 7.383 1.00 0.61 C ATOM 1485 CD1 LEU A 134 12.477 -4.225 7.926 1.00 1.21 C ATOM 1486 CD2 LEU A 134 14.409 -5.220 6.704 1.00 0.60 C ATOM 0 H LEU A 134 13.880 -8.514 9.864 1.00 0.15 H new ATOM 0 HA LEU A 134 15.360 -6.768 8.280 1.00 0.19 H new ATOM 0 HB2 LEU A 134 12.913 -7.520 8.115 1.00 0.22 H new ATOM 0 HB3 LEU A 134 12.549 -6.291 9.310 1.00 0.22 H new ATOM 0 HG LEU A 134 12.405 -5.927 6.636 1.00 0.61 H new ATOM 0 HD11 LEU A 134 12.377 -3.500 7.118 1.00 1.21 H new ATOM 0 HD12 LEU A 134 11.494 -4.435 8.349 1.00 1.21 H new ATOM 0 HD13 LEU A 134 13.126 -3.818 8.701 1.00 1.21 H new ATOM 0 HD21 LEU A 134 14.263 -4.478 5.919 1.00 0.60 H new ATOM 0 HD22 LEU A 134 15.117 -4.836 7.438 1.00 0.60 H new ATOM 0 HD23 LEU A 134 14.802 -6.138 6.267 1.00 0.60 H new ATOM 1498 N PHE A 135 14.581 -5.569 11.233 1.00 0.21 N ATOM 1499 CA PHE A 135 14.860 -4.491 12.176 1.00 0.24 C ATOM 1500 C PHE A 135 15.411 -5.049 13.484 1.00 0.20 C ATOM 1501 O PHE A 135 14.663 -5.301 14.428 1.00 0.23 O ATOM 1502 CB PHE A 135 13.605 -3.655 12.458 1.00 0.30 C ATOM 1503 CG PHE A 135 12.350 -4.158 11.795 1.00 0.83 C ATOM 1504 CD1 PHE A 135 11.862 -5.427 12.065 1.00 1.35 C ATOM 1505 CD2 PHE A 135 11.651 -3.349 10.912 1.00 1.85 C ATOM 1506 CE1 PHE A 135 10.704 -5.881 11.463 1.00 2.03 C ATOM 1507 CE2 PHE A 135 10.491 -3.798 10.311 1.00 2.57 C ATOM 1508 CZ PHE A 135 10.017 -5.065 10.585 1.00 2.49 C ATOM 0 H PHE A 135 14.059 -6.351 11.629 1.00 0.21 H new ATOM 0 HA PHE A 135 15.609 -3.844 11.719 1.00 0.24 H new ATOM 0 HB2 PHE A 135 13.442 -3.622 13.535 1.00 0.30 H new ATOM 0 HB3 PHE A 135 13.786 -2.631 12.131 1.00 0.30 H new ATOM 0 HD1 PHE A 135 12.393 -6.068 12.753 1.00 1.35 H new ATOM 0 HD2 PHE A 135 12.017 -2.357 10.692 1.00 1.85 H new ATOM 0 HE1 PHE A 135 10.336 -6.873 11.679 1.00 2.03 H new ATOM 0 HE2 PHE A 135 9.955 -3.157 9.626 1.00 2.57 H new ATOM 0 HZ PHE A 135 9.111 -5.418 10.114 1.00 2.49 H new ATOM 1518 N ARG A 136 16.726 -5.242 13.530 1.00 0.18 N ATOM 1519 CA ARG A 136 17.379 -5.773 14.721 1.00 0.16 C ATOM 1520 C ARG A 136 17.615 -4.672 15.752 1.00 0.16 C ATOM 1521 O ARG A 136 17.219 -4.799 16.911 1.00 0.34 O ATOM 1522 CB ARG A 136 18.711 -6.431 14.348 1.00 0.17 C ATOM 1523 CG ARG A 136 18.671 -7.951 14.372 1.00 1.28 C ATOM 1524 CD ARG A 136 18.170 -8.478 15.708 1.00 1.92 C ATOM 1525 NE ARG A 136 19.186 -9.267 16.403 1.00 2.71 N ATOM 1526 CZ ARG A 136 20.132 -8.747 17.184 1.00 3.41 C ATOM 1527 NH1 ARG A 136 20.218 -7.434 17.363 1.00 3.59 N ATOM 1528 NH2 ARG A 136 21.004 -9.547 17.785 1.00 4.33 N ATOM 0 H ARG A 136 17.359 -5.039 12.757 1.00 0.18 H new ATOM 0 HA ARG A 136 16.720 -6.522 15.161 1.00 0.16 H new ATOM 0 HB2 ARG A 136 19.003 -6.100 13.351 1.00 0.17 H new ATOM 0 HB3 ARG A 136 19.482 -6.086 15.037 1.00 0.17 H new ATOM 0 HG2 ARG A 136 18.023 -8.311 13.573 1.00 1.28 H new ATOM 0 HG3 ARG A 136 19.668 -8.345 14.176 1.00 1.28 H new ATOM 0 HD2 ARG A 136 17.868 -7.641 16.337 1.00 1.92 H new ATOM 0 HD3 ARG A 136 17.283 -9.091 15.546 1.00 1.92 H new ATOM 0 HE ARG A 136 19.170 -10.280 16.282 1.00 2.71 H new ATOM 0 HH11 ARG A 136 19.555 -6.812 16.900 1.00 3.59 H new ATOM 0 HH12 ARG A 136 20.947 -7.048 17.963 1.00 3.59 H new ATOM 0 HH21 ARG A 136 20.949 -10.556 17.648 1.00 4.33 H new ATOM 0 HH22 ARG A 136 21.730 -9.153 18.384 1.00 4.33 H new ATOM 1542 N ASP A 137 18.265 -3.594 15.324 1.00 0.14 N ATOM 1543 CA ASP A 137 18.556 -2.473 16.213 1.00 0.14 C ATOM 1544 C ASP A 137 17.352 -1.546 16.339 1.00 0.14 C ATOM 1545 O ASP A 137 16.735 -1.454 17.400 1.00 0.19 O ATOM 1546 CB ASP A 137 19.767 -1.690 15.699 1.00 0.15 C ATOM 1547 CG ASP A 137 20.889 -1.631 16.717 1.00 1.26 C ATOM 1548 OD1 ASP A 137 20.596 -1.408 17.910 1.00 2.04 O ATOM 1549 OD2 ASP A 137 22.060 -1.808 16.321 1.00 1.88 O ATOM 0 H ASP A 137 18.600 -3.473 14.368 1.00 0.14 H new ATOM 0 HA ASP A 137 18.783 -2.876 17.200 1.00 0.14 H new ATOM 0 HB2 ASP A 137 20.134 -2.153 14.783 1.00 0.15 H new ATOM 0 HB3 ASP A 137 19.459 -0.676 15.442 1.00 0.15 H new ATOM 1554 N GLY A 138 17.023 -0.861 15.250 1.00 0.15 N ATOM 1555 CA GLY A 138 15.894 0.050 15.259 1.00 0.17 C ATOM 1556 C GLY A 138 15.205 0.127 13.912 1.00 0.15 C ATOM 1557 O GLY A 138 15.687 -0.434 12.928 1.00 0.31 O ATOM 0 H GLY A 138 17.518 -0.920 14.360 1.00 0.15 H new ATOM 0 HA2 GLY A 138 15.176 -0.272 16.014 1.00 0.17 H new ATOM 0 HA3 GLY A 138 16.235 1.044 15.547 1.00 0.17 H new ATOM 1561 N VAL A 139 14.074 0.823 13.866 1.00 0.22 N ATOM 1562 CA VAL A 139 13.321 0.970 12.627 1.00 0.17 C ATOM 1563 C VAL A 139 13.639 2.297 11.949 1.00 0.18 C ATOM 1564 O VAL A 139 14.107 3.237 12.590 1.00 0.24 O ATOM 1565 CB VAL A 139 11.804 0.883 12.874 1.00 0.17 C ATOM 1566 CG1 VAL A 139 11.056 0.777 11.554 1.00 1.26 C ATOM 1567 CG2 VAL A 139 11.476 -0.296 13.777 1.00 1.16 C ATOM 0 H VAL A 139 13.660 1.293 14.671 1.00 0.22 H new ATOM 0 HA VAL A 139 13.620 0.149 11.976 1.00 0.17 H new ATOM 0 HB VAL A 139 11.482 1.795 13.377 1.00 0.17 H new ATOM 0 HG11 VAL A 139 9.985 0.716 11.747 1.00 1.26 H new ATOM 0 HG12 VAL A 139 11.266 1.656 10.945 1.00 1.26 H new ATOM 0 HG13 VAL A 139 11.380 -0.118 11.023 1.00 1.26 H new ATOM 0 HG21 VAL A 139 10.399 -0.341 13.940 1.00 1.16 H new ATOM 0 HG22 VAL A 139 11.810 -1.220 13.305 1.00 1.16 H new ATOM 0 HG23 VAL A 139 11.983 -0.173 14.734 1.00 1.16 H new ATOM 1577 N ASN A 140 13.382 2.367 10.648 1.00 0.20 N ATOM 1578 CA ASN A 140 13.643 3.580 9.885 1.00 0.22 C ATOM 1579 C ASN A 140 13.027 3.489 8.496 1.00 0.19 C ATOM 1580 O ASN A 140 12.960 2.410 7.909 1.00 0.19 O ATOM 1581 CB ASN A 140 15.149 3.819 9.770 1.00 0.25 C ATOM 1582 CG ASN A 140 15.541 5.231 10.156 1.00 1.23 C ATOM 1583 OD1 ASN A 140 15.356 6.173 9.384 1.00 2.22 O ATOM 1584 ND2 ASN A 140 16.086 5.386 11.357 1.00 1.66 N ATOM 0 H ASN A 140 12.994 1.599 10.101 1.00 0.20 H new ATOM 0 HA ASN A 140 13.187 4.418 10.413 1.00 0.22 H new ATOM 0 HB2 ASN A 140 15.676 3.111 10.409 1.00 0.25 H new ATOM 0 HB3 ASN A 140 15.468 3.623 8.746 1.00 0.25 H new ATOM 0 HD21 ASN A 140 16.370 6.314 11.672 1.00 1.66 H new ATOM 0 HD22 ASN A 140 16.221 4.578 11.964 1.00 1.66 H new ATOM 1591 N TRP A 141 12.582 4.631 7.973 1.00 0.22 N ATOM 1592 CA TRP A 141 11.973 4.682 6.647 1.00 0.21 C ATOM 1593 C TRP A 141 12.803 3.900 5.634 1.00 0.21 C ATOM 1594 O TRP A 141 12.271 3.368 4.661 1.00 0.26 O ATOM 1595 CB TRP A 141 11.814 6.132 6.185 1.00 0.26 C ATOM 1596 CG TRP A 141 13.030 6.974 6.427 1.00 0.51 C ATOM 1597 CD1 TRP A 141 14.239 6.869 5.801 1.00 0.88 C ATOM 1598 CD2 TRP A 141 13.153 8.051 7.361 1.00 0.99 C ATOM 1599 NE1 TRP A 141 15.106 7.816 6.290 1.00 1.32 N ATOM 1600 CE2 TRP A 141 14.463 8.554 7.249 1.00 1.38 C ATOM 1601 CE3 TRP A 141 12.282 8.640 8.282 1.00 1.35 C ATOM 1602 CZ2 TRP A 141 14.921 9.617 8.023 1.00 1.90 C ATOM 1603 CZ3 TRP A 141 12.738 9.695 9.049 1.00 1.88 C ATOM 1604 CH2 TRP A 141 14.047 10.175 8.915 1.00 2.09 C ATOM 0 H TRP A 141 12.632 5.532 8.448 1.00 0.22 H new ATOM 0 HA TRP A 141 10.987 4.222 6.714 1.00 0.21 H new ATOM 0 HB2 TRP A 141 11.581 6.142 5.120 1.00 0.26 H new ATOM 0 HB3 TRP A 141 10.964 6.578 6.702 1.00 0.26 H new ATOM 0 HD1 TRP A 141 14.479 6.147 5.034 1.00 0.88 H new ATOM 0 HE1 TRP A 141 16.071 7.948 5.988 1.00 1.32 H new ATOM 0 HE3 TRP A 141 11.271 8.277 8.392 1.00 1.35 H new ATOM 0 HZ2 TRP A 141 15.930 9.988 7.923 1.00 1.90 H new ATOM 0 HZ3 TRP A 141 12.074 10.157 9.764 1.00 1.88 H new ATOM 0 HH2 TRP A 141 14.373 11.002 9.528 1.00 2.09 H new ATOM 1615 N GLY A 142 14.109 3.832 5.868 1.00 0.29 N ATOM 1616 CA GLY A 142 14.983 3.110 4.967 1.00 0.31 C ATOM 1617 C GLY A 142 14.758 1.610 4.996 1.00 0.23 C ATOM 1618 O GLY A 142 14.732 0.966 3.955 1.00 0.27 O ATOM 0 H GLY A 142 14.576 4.264 6.665 1.00 0.29 H new ATOM 0 HA2 GLY A 142 14.830 3.475 3.951 1.00 0.31 H new ATOM 0 HA3 GLY A 142 16.020 3.321 5.229 1.00 0.31 H new ATOM 1622 N ARG A 143 14.619 1.051 6.192 1.00 0.22 N ATOM 1623 CA ARG A 143 14.417 -0.393 6.343 1.00 0.25 C ATOM 1624 C ARG A 143 12.995 -0.837 5.986 1.00 0.21 C ATOM 1625 O ARG A 143 12.802 -1.903 5.400 1.00 0.32 O ATOM 1626 CB ARG A 143 14.758 -0.870 7.762 1.00 0.38 C ATOM 1627 CG ARG A 143 15.652 0.070 8.559 1.00 0.65 C ATOM 1628 CD ARG A 143 16.894 0.462 7.776 1.00 1.05 C ATOM 1629 NE ARG A 143 18.110 0.312 8.569 1.00 1.53 N ATOM 1630 CZ ARG A 143 19.338 0.326 8.055 1.00 2.13 C ATOM 1631 NH1 ARG A 143 19.520 0.484 6.749 1.00 2.54 N ATOM 1632 NH2 ARG A 143 20.389 0.181 8.851 1.00 2.93 N ATOM 0 H ARG A 143 14.642 1.569 7.070 1.00 0.22 H new ATOM 0 HA ARG A 143 15.102 -0.857 5.634 1.00 0.25 H new ATOM 0 HB2 ARG A 143 13.829 -1.018 8.313 1.00 0.38 H new ATOM 0 HB3 ARG A 143 15.247 -1.842 7.695 1.00 0.38 H new ATOM 0 HG2 ARG A 143 15.092 0.966 8.826 1.00 0.65 H new ATOM 0 HG3 ARG A 143 15.946 -0.411 9.492 1.00 0.65 H new ATOM 0 HD2 ARG A 143 16.967 -0.154 6.880 1.00 1.05 H new ATOM 0 HD3 ARG A 143 16.802 1.496 7.445 1.00 1.05 H new ATOM 0 HE ARG A 143 18.013 0.189 9.577 1.00 1.53 H new ATOM 0 HH11 ARG A 143 18.716 0.596 6.132 1.00 2.54 H new ATOM 0 HH12 ARG A 143 20.464 0.494 6.363 1.00 2.54 H new ATOM 0 HH21 ARG A 143 20.255 0.059 9.855 1.00 2.93 H new ATOM 0 HH22 ARG A 143 21.331 0.191 8.459 1.00 2.93 H new ATOM 1646 N ILE A 144 12.000 -0.043 6.377 1.00 0.19 N ATOM 1647 CA ILE A 144 10.599 -0.394 6.131 1.00 0.16 C ATOM 1648 C ILE A 144 10.319 -0.727 4.668 1.00 0.12 C ATOM 1649 O ILE A 144 9.489 -1.588 4.376 1.00 0.17 O ATOM 1650 CB ILE A 144 9.636 0.724 6.579 1.00 0.18 C ATOM 1651 CG1 ILE A 144 9.719 1.923 5.635 1.00 1.26 C ATOM 1652 CG2 ILE A 144 9.933 1.144 8.009 1.00 1.34 C ATOM 1653 CD1 ILE A 144 8.634 1.935 4.580 1.00 1.66 C ATOM 0 H ILE A 144 12.135 0.844 6.863 1.00 0.19 H new ATOM 0 HA ILE A 144 10.421 -1.287 6.730 1.00 0.16 H new ATOM 0 HB ILE A 144 8.619 0.333 6.541 1.00 0.18 H new ATOM 0 HG12 ILE A 144 9.657 2.841 6.220 1.00 1.26 H new ATOM 0 HG13 ILE A 144 10.692 1.923 5.144 1.00 1.26 H new ATOM 0 HG21 ILE A 144 9.243 1.934 8.307 1.00 1.34 H new ATOM 0 HG22 ILE A 144 9.812 0.287 8.672 1.00 1.34 H new ATOM 0 HG23 ILE A 144 10.957 1.513 8.075 1.00 1.34 H new ATOM 0 HD11 ILE A 144 8.753 2.813 3.945 1.00 1.66 H new ATOM 0 HD12 ILE A 144 8.709 1.034 3.971 1.00 1.66 H new ATOM 0 HD13 ILE A 144 7.657 1.967 5.063 1.00 1.66 H new ATOM 1665 N VAL A 145 10.996 -0.051 3.747 1.00 0.11 N ATOM 1666 CA VAL A 145 10.782 -0.304 2.328 1.00 0.13 C ATOM 1667 C VAL A 145 10.955 -1.781 2.008 1.00 0.12 C ATOM 1668 O VAL A 145 10.237 -2.336 1.177 1.00 0.18 O ATOM 1669 CB VAL A 145 11.725 0.538 1.453 1.00 0.23 C ATOM 1670 CG1 VAL A 145 11.367 1.997 1.582 1.00 1.26 C ATOM 1671 CG2 VAL A 145 13.173 0.340 1.846 1.00 1.00 C ATOM 0 H VAL A 145 11.689 0.668 3.954 1.00 0.11 H new ATOM 0 HA VAL A 145 9.757 -0.011 2.100 1.00 0.13 H new ATOM 0 HB VAL A 145 11.605 0.211 0.420 1.00 0.23 H new ATOM 0 HG11 VAL A 145 12.037 2.592 0.961 1.00 1.26 H new ATOM 0 HG12 VAL A 145 10.338 2.149 1.256 1.00 1.26 H new ATOM 0 HG13 VAL A 145 11.467 2.306 2.623 1.00 1.26 H new ATOM 0 HG21 VAL A 145 13.810 0.950 1.206 1.00 1.00 H new ATOM 0 HG22 VAL A 145 13.312 0.637 2.886 1.00 1.00 H new ATOM 0 HG23 VAL A 145 13.441 -0.710 1.729 1.00 1.00 H new ATOM 1681 N ALA A 146 11.896 -2.416 2.691 1.00 0.13 N ATOM 1682 CA ALA A 146 12.147 -3.836 2.502 1.00 0.19 C ATOM 1683 C ALA A 146 10.986 -4.669 3.045 1.00 0.19 C ATOM 1684 O ALA A 146 10.728 -5.775 2.572 1.00 0.29 O ATOM 1685 CB ALA A 146 13.449 -4.227 3.182 1.00 0.25 C ATOM 0 H ALA A 146 12.499 -1.969 3.382 1.00 0.13 H new ATOM 0 HA ALA A 146 12.234 -4.036 1.434 1.00 0.19 H new ATOM 0 HB1 ALA A 146 13.630 -5.292 3.036 1.00 0.25 H new ATOM 0 HB2 ALA A 146 14.271 -3.656 2.750 1.00 0.25 H new ATOM 0 HB3 ALA A 146 13.381 -4.013 4.249 1.00 0.25 H new ATOM 1691 N PHE A 147 10.293 -4.127 4.047 1.00 0.18 N ATOM 1692 CA PHE A 147 9.162 -4.811 4.667 1.00 0.23 C ATOM 1693 C PHE A 147 8.114 -5.204 3.630 1.00 0.22 C ATOM 1694 O PHE A 147 7.697 -6.360 3.563 1.00 0.29 O ATOM 1695 CB PHE A 147 8.530 -3.910 5.732 1.00 0.29 C ATOM 1696 CG PHE A 147 7.530 -4.612 6.606 1.00 0.42 C ATOM 1697 CD1 PHE A 147 6.313 -5.031 6.092 1.00 0.96 C ATOM 1698 CD2 PHE A 147 7.806 -4.850 7.943 1.00 1.57 C ATOM 1699 CE1 PHE A 147 5.390 -5.675 6.895 1.00 1.03 C ATOM 1700 CE2 PHE A 147 6.887 -5.493 8.751 1.00 1.77 C ATOM 1701 CZ PHE A 147 5.677 -5.906 8.225 1.00 0.99 C ATOM 0 H PHE A 147 10.498 -3.211 4.447 1.00 0.18 H new ATOM 0 HA PHE A 147 9.533 -5.723 5.134 1.00 0.23 H new ATOM 0 HB2 PHE A 147 9.320 -3.496 6.359 1.00 0.29 H new ATOM 0 HB3 PHE A 147 8.041 -3.069 5.240 1.00 0.29 H new ATOM 0 HD1 PHE A 147 6.083 -4.852 5.052 1.00 0.96 H new ATOM 0 HD2 PHE A 147 8.750 -4.529 8.358 1.00 1.57 H new ATOM 0 HE1 PHE A 147 4.445 -5.997 6.482 1.00 1.03 H new ATOM 0 HE2 PHE A 147 7.114 -5.672 9.792 1.00 1.77 H new ATOM 0 HZ PHE A 147 4.957 -6.409 8.854 1.00 0.99 H new ATOM 1711 N PHE A 148 7.690 -4.235 2.825 1.00 0.19 N ATOM 1712 CA PHE A 148 6.687 -4.483 1.794 1.00 0.21 C ATOM 1713 C PHE A 148 7.137 -5.592 0.850 1.00 0.21 C ATOM 1714 O PHE A 148 6.385 -6.524 0.566 1.00 0.26 O ATOM 1715 CB PHE A 148 6.418 -3.206 0.995 1.00 0.24 C ATOM 1716 CG PHE A 148 5.667 -2.145 1.757 1.00 0.74 C ATOM 1717 CD1 PHE A 148 5.406 -2.282 3.115 1.00 1.54 C ATOM 1718 CD2 PHE A 148 5.219 -1.006 1.106 1.00 1.53 C ATOM 1719 CE1 PHE A 148 4.714 -1.302 3.802 1.00 2.05 C ATOM 1720 CE2 PHE A 148 4.527 -0.026 1.790 1.00 1.98 C ATOM 1721 CZ PHE A 148 4.274 -0.174 3.139 1.00 1.99 C ATOM 0 H PHE A 148 8.024 -3.272 2.866 1.00 0.19 H new ATOM 0 HA PHE A 148 5.769 -4.798 2.289 1.00 0.21 H new ATOM 0 HB2 PHE A 148 7.370 -2.792 0.662 1.00 0.24 H new ATOM 0 HB3 PHE A 148 5.852 -3.464 0.100 1.00 0.24 H new ATOM 0 HD1 PHE A 148 5.747 -3.163 3.639 1.00 1.54 H new ATOM 0 HD2 PHE A 148 5.414 -0.884 0.051 1.00 1.53 H new ATOM 0 HE1 PHE A 148 4.518 -1.419 4.858 1.00 2.05 H new ATOM 0 HE2 PHE A 148 4.184 0.856 1.270 1.00 1.98 H new ATOM 0 HZ PHE A 148 3.733 0.592 3.675 1.00 1.99 H new ATOM 1731 N GLU A 149 8.367 -5.478 0.362 1.00 0.27 N ATOM 1732 CA GLU A 149 8.921 -6.464 -0.557 1.00 0.31 C ATOM 1733 C GLU A 149 8.802 -7.875 0.009 1.00 0.30 C ATOM 1734 O GLU A 149 8.397 -8.800 -0.694 1.00 0.39 O ATOM 1735 CB GLU A 149 10.386 -6.141 -0.856 1.00 0.41 C ATOM 1736 CG GLU A 149 10.581 -4.812 -1.565 1.00 1.11 C ATOM 1737 CD GLU A 149 11.031 -4.981 -3.003 1.00 2.14 C ATOM 1738 OE1 GLU A 149 12.164 -5.463 -3.218 1.00 3.02 O ATOM 1739 OE2 GLU A 149 10.251 -4.633 -3.914 1.00 2.52 O ATOM 0 H GLU A 149 9.000 -4.711 0.588 1.00 0.27 H new ATOM 0 HA GLU A 149 8.347 -6.421 -1.483 1.00 0.31 H new ATOM 0 HB2 GLU A 149 10.946 -6.130 0.079 1.00 0.41 H new ATOM 0 HB3 GLU A 149 10.807 -6.937 -1.470 1.00 0.41 H new ATOM 0 HG2 GLU A 149 9.646 -4.252 -1.544 1.00 1.11 H new ATOM 0 HG3 GLU A 149 11.319 -4.220 -1.024 1.00 1.11 H new ATOM 1746 N PHE A 150 9.158 -8.039 1.281 1.00 0.28 N ATOM 1747 CA PHE A 150 9.086 -9.347 1.923 1.00 0.29 C ATOM 1748 C PHE A 150 7.726 -9.993 1.692 1.00 0.22 C ATOM 1749 O PHE A 150 7.638 -11.115 1.194 1.00 0.25 O ATOM 1750 CB PHE A 150 9.354 -9.235 3.425 1.00 0.39 C ATOM 1751 CG PHE A 150 9.295 -10.559 4.135 1.00 0.41 C ATOM 1752 CD1 PHE A 150 9.692 -11.721 3.492 1.00 0.97 C ATOM 1753 CD2 PHE A 150 8.840 -10.644 5.442 1.00 1.20 C ATOM 1754 CE1 PHE A 150 9.638 -12.941 4.137 1.00 1.16 C ATOM 1755 CE2 PHE A 150 8.783 -11.863 6.092 1.00 1.47 C ATOM 1756 CZ PHE A 150 9.183 -13.012 5.438 1.00 1.13 C ATOM 0 H PHE A 150 9.497 -7.288 1.883 1.00 0.28 H new ATOM 0 HA PHE A 150 9.855 -9.975 1.474 1.00 0.29 H new ATOM 0 HB2 PHE A 150 10.337 -8.790 3.580 1.00 0.39 H new ATOM 0 HB3 PHE A 150 8.624 -8.559 3.869 1.00 0.39 H new ATOM 0 HD1 PHE A 150 10.048 -11.672 2.474 1.00 0.97 H new ATOM 0 HD2 PHE A 150 8.527 -9.748 5.958 1.00 1.20 H new ATOM 0 HE1 PHE A 150 9.951 -13.838 3.624 1.00 1.16 H new ATOM 0 HE2 PHE A 150 8.426 -11.917 7.110 1.00 1.47 H new ATOM 0 HZ PHE A 150 9.140 -13.965 5.944 1.00 1.13 H new ATOM 1766 N GLY A 151 6.667 -9.279 2.054 1.00 0.24 N ATOM 1767 CA GLY A 151 5.329 -9.804 1.872 1.00 0.30 C ATOM 1768 C GLY A 151 5.090 -10.264 0.451 1.00 0.30 C ATOM 1769 O GLY A 151 4.623 -11.380 0.221 1.00 0.36 O ATOM 0 H GLY A 151 6.711 -8.348 2.469 1.00 0.24 H new ATOM 0 HA2 GLY A 151 5.171 -10.639 2.555 1.00 0.30 H new ATOM 0 HA3 GLY A 151 4.600 -9.037 2.132 1.00 0.30 H new ATOM 1773 N GLY A 152 5.421 -9.405 -0.507 1.00 0.29 N ATOM 1774 CA GLY A 152 5.243 -9.749 -1.903 1.00 0.33 C ATOM 1775 C GLY A 152 6.076 -10.949 -2.302 1.00 0.27 C ATOM 1776 O GLY A 152 5.651 -11.763 -3.122 1.00 0.32 O ATOM 0 H GLY A 152 5.809 -8.477 -0.340 1.00 0.29 H new ATOM 0 HA2 GLY A 152 4.190 -9.959 -2.093 1.00 0.33 H new ATOM 0 HA3 GLY A 152 5.515 -8.896 -2.524 1.00 0.33 H new ATOM 1780 N VAL A 153 7.265 -11.061 -1.716 1.00 0.21 N ATOM 1781 CA VAL A 153 8.160 -12.173 -2.010 1.00 0.17 C ATOM 1782 C VAL A 153 7.588 -13.484 -1.482 1.00 0.13 C ATOM 1783 O VAL A 153 7.602 -14.503 -2.172 1.00 0.13 O ATOM 1784 CB VAL A 153 9.559 -11.950 -1.401 1.00 0.19 C ATOM 1785 CG1 VAL A 153 10.454 -13.152 -1.662 1.00 0.26 C ATOM 1786 CG2 VAL A 153 10.186 -10.681 -1.957 1.00 0.17 C ATOM 0 H VAL A 153 7.630 -10.395 -1.035 1.00 0.21 H new ATOM 0 HA VAL A 153 8.254 -12.228 -3.095 1.00 0.17 H new ATOM 0 HB VAL A 153 9.451 -11.834 -0.323 1.00 0.19 H new ATOM 0 HG11 VAL A 153 11.437 -12.976 -1.225 1.00 0.26 H new ATOM 0 HG12 VAL A 153 10.011 -14.040 -1.212 1.00 0.26 H new ATOM 0 HG13 VAL A 153 10.557 -13.303 -2.737 1.00 0.26 H new ATOM 0 HG21 VAL A 153 11.173 -10.539 -1.516 1.00 0.17 H new ATOM 0 HG22 VAL A 153 10.281 -10.766 -3.040 1.00 0.17 H new ATOM 0 HG23 VAL A 153 9.554 -9.827 -1.714 1.00 0.17 H new ATOM 1796 N MET A 154 7.082 -13.448 -0.254 1.00 0.12 N ATOM 1797 CA MET A 154 6.498 -14.631 0.365 1.00 0.13 C ATOM 1798 C MET A 154 5.122 -14.925 -0.224 1.00 0.14 C ATOM 1799 O MET A 154 4.725 -16.083 -0.350 1.00 0.21 O ATOM 1800 CB MET A 154 6.392 -14.443 1.880 1.00 0.18 C ATOM 1801 CG MET A 154 6.271 -15.750 2.647 1.00 1.36 C ATOM 1802 SD MET A 154 6.345 -15.517 4.433 1.00 1.81 S ATOM 1803 CE MET A 154 7.730 -16.573 4.856 1.00 1.59 C ATOM 0 H MET A 154 7.065 -12.613 0.331 1.00 0.12 H new ATOM 0 HA MET A 154 7.151 -15.480 0.160 1.00 0.13 H new ATOM 0 HB2 MET A 154 7.271 -13.904 2.233 1.00 0.18 H new ATOM 0 HB3 MET A 154 5.525 -13.820 2.101 1.00 0.18 H new ATOM 0 HG2 MET A 154 5.330 -16.234 2.386 1.00 1.36 H new ATOM 0 HG3 MET A 154 7.071 -16.423 2.339 1.00 1.36 H new ATOM 0 HE1 MET A 154 7.649 -16.879 5.899 1.00 1.59 H new ATOM 0 HE2 MET A 154 7.723 -17.456 4.217 1.00 1.59 H new ATOM 0 HE3 MET A 154 8.662 -16.027 4.709 1.00 1.59 H new ATOM 1813 N CYS A 155 4.397 -13.869 -0.580 1.00 0.15 N ATOM 1814 CA CYS A 155 3.064 -14.016 -1.154 1.00 0.17 C ATOM 1815 C CYS A 155 3.115 -14.809 -2.457 1.00 0.15 C ATOM 1816 O CYS A 155 2.442 -15.829 -2.600 1.00 0.21 O ATOM 1817 CB CYS A 155 2.438 -12.642 -1.403 1.00 0.22 C ATOM 1818 SG CYS A 155 1.486 -12.531 -2.937 1.00 1.43 S ATOM 0 H CYS A 155 4.710 -12.903 -0.481 1.00 0.15 H new ATOM 0 HA CYS A 155 2.448 -14.564 -0.441 1.00 0.17 H new ATOM 0 HB2 CYS A 155 1.786 -12.394 -0.565 1.00 0.22 H new ATOM 0 HB3 CYS A 155 3.229 -11.893 -1.424 1.00 0.22 H new ATOM 0 HG CYS A 155 2.000 -11.613 -3.701 1.00 1.43 H new ATOM 1824 N VAL A 156 3.918 -14.334 -3.405 1.00 0.14 N ATOM 1825 CA VAL A 156 4.055 -15.003 -4.694 1.00 0.13 C ATOM 1826 C VAL A 156 4.569 -16.428 -4.521 1.00 0.10 C ATOM 1827 O VAL A 156 4.198 -17.328 -5.274 1.00 0.11 O ATOM 1828 CB VAL A 156 5.003 -14.238 -5.640 1.00 0.17 C ATOM 1829 CG1 VAL A 156 4.301 -13.026 -6.235 1.00 1.36 C ATOM 1830 CG2 VAL A 156 6.277 -13.830 -4.912 1.00 1.38 C ATOM 0 H VAL A 156 4.482 -13.490 -3.305 1.00 0.14 H new ATOM 0 HA VAL A 156 3.060 -15.026 -5.139 1.00 0.13 H new ATOM 0 HB VAL A 156 5.283 -14.902 -6.458 1.00 0.17 H new ATOM 0 HG11 VAL A 156 4.986 -12.499 -6.900 1.00 1.36 H new ATOM 0 HG12 VAL A 156 3.427 -13.352 -6.799 1.00 1.36 H new ATOM 0 HG13 VAL A 156 3.987 -12.358 -5.433 1.00 1.36 H new ATOM 0 HG21 VAL A 156 6.931 -13.292 -5.598 1.00 1.38 H new ATOM 0 HG22 VAL A 156 6.024 -13.185 -4.070 1.00 1.38 H new ATOM 0 HG23 VAL A 156 6.788 -14.721 -4.546 1.00 1.38 H new ATOM 1840 N GLU A 157 5.424 -16.628 -3.522 1.00 0.09 N ATOM 1841 CA GLU A 157 5.984 -17.946 -3.252 1.00 0.10 C ATOM 1842 C GLU A 157 4.877 -18.990 -3.141 1.00 0.08 C ATOM 1843 O GLU A 157 5.033 -20.126 -3.589 1.00 0.10 O ATOM 1844 CB GLU A 157 6.811 -17.922 -1.964 1.00 0.13 C ATOM 1845 CG GLU A 157 8.296 -17.698 -2.195 1.00 0.44 C ATOM 1846 CD GLU A 157 8.952 -18.849 -2.933 1.00 1.42 C ATOM 1847 OE1 GLU A 157 8.392 -19.965 -2.909 1.00 2.19 O ATOM 1848 OE2 GLU A 157 10.026 -18.635 -3.533 1.00 2.20 O ATOM 0 H GLU A 157 5.743 -15.895 -2.888 1.00 0.09 H new ATOM 0 HA GLU A 157 6.634 -18.215 -4.084 1.00 0.10 H new ATOM 0 HB2 GLU A 157 6.431 -17.134 -1.313 1.00 0.13 H new ATOM 0 HB3 GLU A 157 6.673 -18.866 -1.436 1.00 0.13 H new ATOM 0 HG2 GLU A 157 8.437 -16.779 -2.764 1.00 0.44 H new ATOM 0 HG3 GLU A 157 8.792 -17.557 -1.235 1.00 0.44 H new ATOM 1855 N SER A 158 3.756 -18.594 -2.545 1.00 0.05 N ATOM 1856 CA SER A 158 2.621 -19.494 -2.379 1.00 0.05 C ATOM 1857 C SER A 158 1.889 -19.691 -3.703 1.00 0.06 C ATOM 1858 O SER A 158 1.494 -20.805 -4.046 1.00 0.12 O ATOM 1859 CB SER A 158 1.656 -18.946 -1.326 1.00 0.06 C ATOM 1860 OG SER A 158 2.206 -17.818 -0.668 1.00 1.28 O ATOM 0 H SER A 158 3.610 -17.657 -2.170 1.00 0.05 H new ATOM 0 HA SER A 158 3.000 -20.460 -2.044 1.00 0.05 H new ATOM 0 HB2 SER A 158 0.714 -18.671 -1.800 1.00 0.06 H new ATOM 0 HB3 SER A 158 1.430 -19.723 -0.595 1.00 0.06 H new ATOM 0 HG SER A 158 2.164 -17.040 -1.262 1.00 1.28 H new ATOM 1866 N VAL A 159 1.715 -18.601 -4.444 1.00 0.04 N ATOM 1867 CA VAL A 159 1.035 -18.653 -5.732 1.00 0.04 C ATOM 1868 C VAL A 159 1.793 -19.538 -6.715 1.00 0.03 C ATOM 1869 O VAL A 159 1.192 -20.225 -7.540 1.00 0.04 O ATOM 1870 CB VAL A 159 0.875 -17.247 -6.341 1.00 0.05 C ATOM 1871 CG1 VAL A 159 0.965 -17.304 -7.859 1.00 0.95 C ATOM 1872 CG2 VAL A 159 -0.440 -16.621 -5.902 1.00 0.89 C ATOM 0 H VAL A 159 2.036 -17.671 -4.174 1.00 0.04 H new ATOM 0 HA VAL A 159 0.047 -19.076 -5.552 1.00 0.04 H new ATOM 0 HB VAL A 159 1.690 -16.621 -5.977 1.00 0.05 H new ATOM 0 HG11 VAL A 159 0.849 -16.300 -8.268 1.00 0.95 H new ATOM 0 HG12 VAL A 159 1.935 -17.705 -8.151 1.00 0.95 H new ATOM 0 HG13 VAL A 159 0.175 -17.947 -8.246 1.00 0.95 H new ATOM 0 HG21 VAL A 159 -0.535 -15.628 -6.342 1.00 0.89 H new ATOM 0 HG22 VAL A 159 -1.269 -17.246 -6.234 1.00 0.89 H new ATOM 0 HG23 VAL A 159 -0.459 -16.539 -4.815 1.00 0.89 H new ATOM 1882 N ASN A 160 3.118 -19.518 -6.617 1.00 0.03 N ATOM 1883 CA ASN A 160 3.963 -20.319 -7.495 1.00 0.03 C ATOM 1884 C ASN A 160 3.554 -21.788 -7.450 1.00 0.03 C ATOM 1885 O ASN A 160 3.636 -22.496 -8.454 1.00 0.04 O ATOM 1886 CB ASN A 160 5.432 -20.175 -7.093 1.00 0.05 C ATOM 1887 CG ASN A 160 6.218 -21.453 -7.309 1.00 1.06 C ATOM 1888 OD1 ASN A 160 6.129 -22.079 -8.365 1.00 1.77 O ATOM 1889 ND2 ASN A 160 6.994 -21.847 -6.306 1.00 1.79 N ATOM 0 H ASN A 160 3.630 -18.955 -5.938 1.00 0.03 H new ATOM 0 HA ASN A 160 3.835 -19.955 -8.514 1.00 0.03 H new ATOM 0 HB2 ASN A 160 5.887 -19.370 -7.670 1.00 0.05 H new ATOM 0 HB3 ASN A 160 5.492 -19.888 -6.043 1.00 0.05 H new ATOM 0 HD21 ASN A 160 7.547 -22.700 -6.393 1.00 1.79 H new ATOM 0 HD22 ASN A 160 7.037 -21.297 -5.448 1.00 1.79 H new ATOM 1896 N ARG A 161 3.112 -22.240 -6.281 1.00 0.04 N ATOM 1897 CA ARG A 161 2.689 -23.624 -6.109 1.00 0.05 C ATOM 1898 C ARG A 161 1.195 -23.772 -6.381 1.00 0.05 C ATOM 1899 O ARG A 161 0.794 -24.204 -7.462 1.00 0.09 O ATOM 1900 CB ARG A 161 3.015 -24.110 -4.695 1.00 0.06 C ATOM 1901 CG ARG A 161 4.069 -25.204 -4.654 1.00 1.33 C ATOM 1902 CD ARG A 161 5.377 -24.740 -5.275 1.00 2.09 C ATOM 1903 NE ARG A 161 6.312 -25.845 -5.468 1.00 2.31 N ATOM 1904 CZ ARG A 161 6.144 -26.814 -6.366 1.00 3.08 C ATOM 1905 NH1 ARG A 161 5.079 -26.821 -7.160 1.00 3.57 N ATOM 1906 NH2 ARG A 161 7.045 -27.781 -6.471 1.00 3.73 N ATOM 0 H ARG A 161 3.038 -21.668 -5.440 1.00 0.04 H new ATOM 0 HA ARG A 161 3.234 -24.236 -6.827 1.00 0.05 H new ATOM 0 HB2 ARG A 161 3.358 -23.264 -4.100 1.00 0.06 H new ATOM 0 HB3 ARG A 161 2.102 -24.479 -4.228 1.00 0.06 H new ATOM 0 HG2 ARG A 161 4.242 -25.506 -3.621 1.00 1.33 H new ATOM 0 HG3 ARG A 161 3.704 -26.083 -5.186 1.00 1.33 H new ATOM 0 HD2 ARG A 161 5.174 -24.264 -6.235 1.00 2.09 H new ATOM 0 HD3 ARG A 161 5.835 -23.985 -4.635 1.00 2.09 H new ATOM 0 HE ARG A 161 7.144 -25.877 -4.879 1.00 2.31 H new ATOM 0 HH11 ARG A 161 4.382 -26.080 -7.085 1.00 3.57 H new ATOM 0 HH12 ARG A 161 4.958 -27.567 -7.845 1.00 3.57 H new ATOM 0 HH21 ARG A 161 7.865 -27.782 -5.865 1.00 3.73 H new ATOM 0 HH22 ARG A 161 6.918 -28.524 -7.158 1.00 3.73 H new ATOM 1920 N GLU A 162 0.377 -23.405 -5.397 1.00 0.07 N ATOM 1921 CA GLU A 162 -1.074 -23.492 -5.528 1.00 0.08 C ATOM 1922 C GLU A 162 -1.761 -23.020 -4.251 1.00 0.08 C ATOM 1923 O GLU A 162 -2.754 -23.605 -3.818 1.00 0.10 O ATOM 1924 CB GLU A 162 -1.501 -24.929 -5.837 1.00 0.09 C ATOM 1925 CG GLU A 162 -1.137 -25.919 -4.742 1.00 1.32 C ATOM 1926 CD GLU A 162 -2.289 -26.836 -4.379 1.00 2.20 C ATOM 1927 OE1 GLU A 162 -3.090 -27.167 -5.278 1.00 2.88 O ATOM 1928 OE2 GLU A 162 -2.390 -27.222 -3.196 1.00 2.86 O ATOM 0 H GLU A 162 0.696 -23.044 -4.498 1.00 0.07 H new ATOM 0 HA GLU A 162 -1.375 -22.845 -6.352 1.00 0.08 H new ATOM 0 HB2 GLU A 162 -2.579 -24.953 -5.994 1.00 0.09 H new ATOM 0 HB3 GLU A 162 -1.036 -25.245 -6.771 1.00 0.09 H new ATOM 0 HG2 GLU A 162 -0.288 -26.520 -5.068 1.00 1.32 H new ATOM 0 HG3 GLU A 162 -0.819 -25.373 -3.854 1.00 1.32 H new ATOM 1935 N MET A 163 -1.227 -21.963 -3.649 1.00 0.09 N ATOM 1936 CA MET A 163 -1.793 -21.423 -2.418 1.00 0.10 C ATOM 1937 C MET A 163 -2.105 -19.936 -2.562 1.00 0.10 C ATOM 1938 O MET A 163 -1.706 -19.124 -1.728 1.00 0.12 O ATOM 1939 CB MET A 163 -0.832 -21.650 -1.249 1.00 0.11 C ATOM 1940 CG MET A 163 -1.056 -22.968 -0.526 1.00 0.86 C ATOM 1941 SD MET A 163 0.446 -23.603 0.244 1.00 1.42 S ATOM 1942 CE MET A 163 0.670 -25.137 -0.653 1.00 2.41 C ATOM 0 H MET A 163 -0.406 -21.464 -3.992 1.00 0.09 H new ATOM 0 HA MET A 163 -2.727 -21.948 -2.217 1.00 0.10 H new ATOM 0 HB2 MET A 163 0.192 -21.618 -1.620 1.00 0.11 H new ATOM 0 HB3 MET A 163 -0.939 -20.832 -0.537 1.00 0.11 H new ATOM 0 HG2 MET A 163 -1.822 -22.833 0.238 1.00 0.86 H new ATOM 0 HG3 MET A 163 -1.437 -23.705 -1.233 1.00 0.86 H new ATOM 0 HE1 MET A 163 1.562 -25.645 -0.288 1.00 2.41 H new ATOM 0 HE2 MET A 163 -0.199 -25.777 -0.502 1.00 2.41 H new ATOM 0 HE3 MET A 163 0.784 -24.924 -1.716 1.00 2.41 H new ATOM 1952 N SER A 164 -2.825 -19.586 -3.623 1.00 0.10 N ATOM 1953 CA SER A 164 -3.193 -18.196 -3.868 1.00 0.11 C ATOM 1954 C SER A 164 -3.922 -17.593 -2.664 1.00 0.11 C ATOM 1955 O SER A 164 -3.580 -16.501 -2.211 1.00 0.14 O ATOM 1956 CB SER A 164 -4.073 -18.091 -5.116 1.00 0.11 C ATOM 1957 OG SER A 164 -3.606 -17.073 -5.984 1.00 1.33 O ATOM 0 H SER A 164 -3.164 -20.244 -4.325 1.00 0.10 H new ATOM 0 HA SER A 164 -2.274 -17.632 -4.028 1.00 0.11 H new ATOM 0 HB2 SER A 164 -4.080 -19.046 -5.641 1.00 0.11 H new ATOM 0 HB3 SER A 164 -5.102 -17.880 -4.823 1.00 0.11 H new ATOM 0 HG SER A 164 -3.722 -17.358 -6.914 1.00 1.33 H new ATOM 1963 N PRO A 165 -4.936 -18.295 -2.123 1.00 0.08 N ATOM 1964 CA PRO A 165 -5.697 -17.811 -0.967 1.00 0.09 C ATOM 1965 C PRO A 165 -4.791 -17.380 0.182 1.00 0.09 C ATOM 1966 O PRO A 165 -5.107 -16.443 0.917 1.00 0.11 O ATOM 1967 CB PRO A 165 -6.536 -19.024 -0.560 1.00 0.11 C ATOM 1968 CG PRO A 165 -6.694 -19.810 -1.814 1.00 0.09 C ATOM 1969 CD PRO A 165 -5.423 -19.606 -2.593 1.00 0.07 C ATOM 0 HA PRO A 165 -6.290 -16.929 -1.209 1.00 0.09 H new ATOM 0 HB2 PRO A 165 -6.038 -19.608 0.214 1.00 0.11 H new ATOM 0 HB3 PRO A 165 -7.503 -18.720 -0.158 1.00 0.11 H new ATOM 0 HG2 PRO A 165 -6.853 -20.866 -1.595 1.00 0.09 H new ATOM 0 HG3 PRO A 165 -7.559 -19.469 -2.382 1.00 0.09 H new ATOM 0 HD2 PRO A 165 -4.700 -20.397 -2.395 1.00 0.07 H new ATOM 0 HD3 PRO A 165 -5.607 -19.604 -3.667 1.00 0.07 H new ATOM 1977 N LEU A 166 -3.664 -18.069 0.332 1.00 0.09 N ATOM 1978 CA LEU A 166 -2.712 -17.758 1.393 1.00 0.10 C ATOM 1979 C LEU A 166 -2.256 -16.305 1.309 1.00 0.12 C ATOM 1980 O LEU A 166 -1.939 -15.686 2.325 1.00 0.17 O ATOM 1981 CB LEU A 166 -1.501 -18.690 1.311 1.00 0.10 C ATOM 1982 CG LEU A 166 -0.597 -18.689 2.544 1.00 0.44 C ATOM 1983 CD1 LEU A 166 -1.110 -19.673 3.583 1.00 1.59 C ATOM 1984 CD2 LEU A 166 0.836 -19.022 2.155 1.00 1.46 C ATOM 0 H LEU A 166 -3.388 -18.846 -0.268 1.00 0.09 H new ATOM 0 HA LEU A 166 -3.213 -17.907 2.349 1.00 0.10 H new ATOM 0 HB2 LEU A 166 -1.855 -19.707 1.140 1.00 0.10 H new ATOM 0 HB3 LEU A 166 -0.905 -18.410 0.442 1.00 0.10 H new ATOM 0 HG LEU A 166 -0.612 -17.690 2.980 1.00 0.44 H new ATOM 0 HD11 LEU A 166 -0.454 -19.658 4.453 1.00 1.59 H new ATOM 0 HD12 LEU A 166 -2.119 -19.391 3.884 1.00 1.59 H new ATOM 0 HD13 LEU A 166 -1.126 -20.676 3.157 1.00 1.59 H new ATOM 0 HD21 LEU A 166 1.465 -19.017 3.045 1.00 1.46 H new ATOM 0 HD22 LEU A 166 0.868 -20.009 1.694 1.00 1.46 H new ATOM 0 HD23 LEU A 166 1.203 -18.279 1.447 1.00 1.46 H new ATOM 1996 N VAL A 167 -2.228 -15.766 0.095 1.00 0.10 N ATOM 1997 CA VAL A 167 -1.813 -14.385 -0.116 1.00 0.12 C ATOM 1998 C VAL A 167 -2.522 -13.448 0.855 1.00 0.13 C ATOM 1999 O VAL A 167 -1.946 -12.464 1.318 1.00 0.14 O ATOM 2000 CB VAL A 167 -2.101 -13.928 -1.558 1.00 0.13 C ATOM 2001 CG1 VAL A 167 -1.868 -12.433 -1.699 1.00 1.38 C ATOM 2002 CG2 VAL A 167 -1.242 -14.706 -2.545 1.00 1.33 C ATOM 0 H VAL A 167 -2.487 -16.264 -0.757 1.00 0.10 H new ATOM 0 HA VAL A 167 -0.738 -14.344 0.061 1.00 0.12 H new ATOM 0 HB VAL A 167 -3.148 -14.132 -1.784 1.00 0.13 H new ATOM 0 HG11 VAL A 167 -2.076 -12.127 -2.724 1.00 1.38 H new ATOM 0 HG12 VAL A 167 -2.529 -11.896 -1.019 1.00 1.38 H new ATOM 0 HG13 VAL A 167 -0.831 -12.202 -1.455 1.00 1.38 H new ATOM 0 HG21 VAL A 167 -1.458 -14.370 -3.559 1.00 1.33 H new ATOM 0 HG22 VAL A 167 -0.188 -14.536 -2.323 1.00 1.33 H new ATOM 0 HG23 VAL A 167 -1.463 -15.770 -2.460 1.00 1.33 H new ATOM 2012 N ASP A 168 -3.776 -13.765 1.161 1.00 0.12 N ATOM 2013 CA ASP A 168 -4.568 -12.957 2.080 1.00 0.12 C ATOM 2014 C ASP A 168 -4.033 -13.074 3.504 1.00 0.14 C ATOM 2015 O ASP A 168 -4.000 -12.094 4.248 1.00 0.16 O ATOM 2016 CB ASP A 168 -6.034 -13.390 2.037 1.00 0.12 C ATOM 2017 CG ASP A 168 -6.989 -12.213 2.084 1.00 1.35 C ATOM 2018 OD1 ASP A 168 -6.957 -11.463 3.082 1.00 2.11 O ATOM 2019 OD2 ASP A 168 -7.769 -12.043 1.123 1.00 2.06 O ATOM 0 H ASP A 168 -4.266 -14.577 0.785 1.00 0.12 H new ATOM 0 HA ASP A 168 -4.494 -11.916 1.767 1.00 0.12 H new ATOM 0 HB2 ASP A 168 -6.214 -13.963 1.127 1.00 0.12 H new ATOM 0 HB3 ASP A 168 -6.238 -14.053 2.877 1.00 0.12 H new ATOM 2024 N ASN A 169 -3.615 -14.280 3.875 1.00 0.13 N ATOM 2025 CA ASN A 169 -3.081 -14.526 5.210 1.00 0.15 C ATOM 2026 C ASN A 169 -1.830 -13.690 5.458 1.00 0.17 C ATOM 2027 O ASN A 169 -1.694 -13.054 6.503 1.00 0.25 O ATOM 2028 CB ASN A 169 -2.759 -16.011 5.388 1.00 0.14 C ATOM 2029 CG ASN A 169 -3.665 -16.682 6.401 1.00 0.82 C ATOM 2030 OD1 ASN A 169 -3.646 -16.347 7.586 1.00 1.64 O ATOM 2031 ND2 ASN A 169 -4.466 -17.635 5.939 1.00 1.34 N ATOM 0 H ASN A 169 -3.636 -15.101 3.271 1.00 0.13 H new ATOM 0 HA ASN A 169 -3.840 -14.236 5.937 1.00 0.15 H new ATOM 0 HB2 ASN A 169 -2.854 -16.518 4.428 1.00 0.14 H new ATOM 0 HB3 ASN A 169 -1.722 -16.120 5.705 1.00 0.14 H new ATOM 0 HD21 ASN A 169 -5.099 -18.122 6.574 1.00 1.34 H new ATOM 0 HD22 ASN A 169 -4.449 -17.880 4.949 1.00 1.34 H new ATOM 2038 N ILE A 170 -0.919 -13.697 4.491 1.00 0.15 N ATOM 2039 CA ILE A 170 0.321 -12.939 4.605 1.00 0.19 C ATOM 2040 C ILE A 170 0.041 -11.477 4.931 1.00 0.19 C ATOM 2041 O ILE A 170 0.637 -10.910 5.847 1.00 0.28 O ATOM 2042 CB ILE A 170 1.149 -13.016 3.307 1.00 0.21 C ATOM 2043 CG1 ILE A 170 1.336 -14.474 2.883 1.00 0.77 C ATOM 2044 CG2 ILE A 170 2.498 -12.337 3.495 1.00 0.87 C ATOM 2045 CD1 ILE A 170 2.672 -14.744 2.224 1.00 1.45 C ATOM 0 H ILE A 170 -1.016 -14.219 3.620 1.00 0.15 H new ATOM 0 HA ILE A 170 0.893 -13.387 5.418 1.00 0.19 H new ATOM 0 HB ILE A 170 0.609 -12.492 2.518 1.00 0.21 H new ATOM 0 HG12 ILE A 170 1.236 -15.115 3.759 1.00 0.77 H new ATOM 0 HG13 ILE A 170 0.538 -14.749 2.194 1.00 0.77 H new ATOM 0 HG21 ILE A 170 3.070 -12.401 2.569 1.00 0.87 H new ATOM 0 HG22 ILE A 170 2.345 -11.290 3.756 1.00 0.87 H new ATOM 0 HG23 ILE A 170 3.047 -12.834 4.295 1.00 0.87 H new ATOM 0 HD11 ILE A 170 2.736 -15.797 1.949 1.00 1.45 H new ATOM 0 HD12 ILE A 170 2.767 -14.129 1.329 1.00 1.45 H new ATOM 0 HD13 ILE A 170 3.476 -14.501 2.918 1.00 1.45 H new ATOM 2057 N ALA A 171 -0.869 -10.871 4.176 1.00 0.19 N ATOM 2058 CA ALA A 171 -1.226 -9.474 4.387 1.00 0.23 C ATOM 2059 C ALA A 171 -1.715 -9.244 5.812 1.00 0.18 C ATOM 2060 O ALA A 171 -1.477 -8.189 6.399 1.00 0.21 O ATOM 2061 CB ALA A 171 -2.287 -9.043 3.387 1.00 0.31 C ATOM 0 H ALA A 171 -1.372 -11.325 3.414 1.00 0.19 H new ATOM 0 HA ALA A 171 -0.333 -8.869 4.234 1.00 0.23 H new ATOM 0 HB1 ALA A 171 -2.544 -7.997 3.557 1.00 0.31 H new ATOM 0 HB2 ALA A 171 -1.902 -9.162 2.374 1.00 0.31 H new ATOM 0 HB3 ALA A 171 -3.177 -9.660 3.512 1.00 0.31 H new ATOM 2067 N LEU A 172 -2.401 -10.240 6.363 1.00 0.15 N ATOM 2068 CA LEU A 172 -2.926 -10.149 7.721 1.00 0.15 C ATOM 2069 C LEU A 172 -1.794 -10.002 8.733 1.00 0.14 C ATOM 2070 O LEU A 172 -1.871 -9.185 9.651 1.00 0.27 O ATOM 2071 CB LEU A 172 -3.759 -11.389 8.050 1.00 0.23 C ATOM 2072 CG LEU A 172 -5.238 -11.121 8.332 1.00 0.90 C ATOM 2073 CD1 LEU A 172 -5.393 -10.164 9.503 1.00 1.94 C ATOM 2074 CD2 LEU A 172 -5.924 -10.568 7.093 1.00 1.80 C ATOM 0 H LEU A 172 -2.607 -11.120 5.890 1.00 0.15 H new ATOM 0 HA LEU A 172 -3.561 -9.265 7.781 1.00 0.15 H new ATOM 0 HB2 LEU A 172 -3.685 -12.089 7.218 1.00 0.23 H new ATOM 0 HB3 LEU A 172 -3.323 -11.881 8.919 1.00 0.23 H new ATOM 0 HG LEU A 172 -5.715 -12.065 8.596 1.00 0.90 H new ATOM 0 HD11 LEU A 172 -6.452 -9.985 9.689 1.00 1.94 H new ATOM 0 HD12 LEU A 172 -4.937 -10.600 10.392 1.00 1.94 H new ATOM 0 HD13 LEU A 172 -4.901 -9.220 9.269 1.00 1.94 H new ATOM 0 HD21 LEU A 172 -6.976 -10.383 7.311 1.00 1.80 H new ATOM 0 HD22 LEU A 172 -5.445 -9.634 6.798 1.00 1.80 H new ATOM 0 HD23 LEU A 172 -5.844 -11.290 6.280 1.00 1.80 H new ATOM 2086 N TRP A 173 -0.746 -10.800 8.560 1.00 0.19 N ATOM 2087 CA TRP A 173 0.404 -10.762 9.457 1.00 0.20 C ATOM 2088 C TRP A 173 1.261 -9.527 9.198 1.00 0.19 C ATOM 2089 O TRP A 173 1.882 -8.988 10.113 1.00 0.19 O ATOM 2090 CB TRP A 173 1.249 -12.027 9.291 1.00 0.23 C ATOM 2091 CG TRP A 173 0.759 -13.181 10.111 1.00 0.49 C ATOM 2092 CD1 TRP A 173 0.695 -13.249 11.473 1.00 1.04 C ATOM 2093 CD2 TRP A 173 0.267 -14.435 9.623 1.00 0.77 C ATOM 2094 NE1 TRP A 173 0.191 -14.467 11.862 1.00 1.31 N ATOM 2095 CE2 TRP A 173 -0.080 -15.212 10.744 1.00 1.12 C ATOM 2096 CE3 TRP A 173 0.082 -14.974 8.346 1.00 1.16 C ATOM 2097 CZ2 TRP A 173 -0.598 -16.499 10.627 1.00 1.47 C ATOM 2098 CZ3 TRP A 173 -0.432 -16.253 8.231 1.00 1.59 C ATOM 2099 CH2 TRP A 173 -0.768 -17.002 9.366 1.00 1.64 C ATOM 0 H TRP A 173 -0.669 -11.482 7.806 1.00 0.19 H new ATOM 0 HA TRP A 173 0.031 -10.713 10.480 1.00 0.20 H new ATOM 0 HB2 TRP A 173 1.256 -12.315 8.240 1.00 0.23 H new ATOM 0 HB3 TRP A 173 2.280 -11.806 9.568 1.00 0.23 H new ATOM 0 HD1 TRP A 173 0.997 -12.461 12.147 1.00 1.04 H new ATOM 0 HE1 TRP A 173 0.043 -14.767 12.825 1.00 1.31 H new ATOM 0 HE3 TRP A 173 0.336 -14.402 7.466 1.00 1.16 H new ATOM 0 HZ2 TRP A 173 -0.856 -17.080 11.500 1.00 1.47 H new ATOM 0 HZ3 TRP A 173 -0.577 -16.681 7.250 1.00 1.59 H new ATOM 0 HH2 TRP A 173 -1.170 -17.997 9.243 1.00 1.64 H new ATOM 2110 N MET A 174 1.293 -9.086 7.944 1.00 0.21 N ATOM 2111 CA MET A 174 2.080 -7.918 7.565 1.00 0.21 C ATOM 2112 C MET A 174 1.594 -6.669 8.295 1.00 0.20 C ATOM 2113 O MET A 174 2.393 -5.905 8.835 1.00 0.27 O ATOM 2114 CB MET A 174 2.010 -7.696 6.052 1.00 0.24 C ATOM 2115 CG MET A 174 3.263 -8.134 5.312 1.00 1.05 C ATOM 2116 SD MET A 174 3.492 -7.246 3.760 1.00 2.00 S ATOM 2117 CE MET A 174 2.362 -8.136 2.691 1.00 2.17 C ATOM 0 H MET A 174 0.784 -9.520 7.174 1.00 0.21 H new ATOM 0 HA MET A 174 3.115 -8.104 7.852 1.00 0.21 H new ATOM 0 HB2 MET A 174 1.154 -8.240 5.653 1.00 0.24 H new ATOM 0 HB3 MET A 174 1.834 -6.638 5.857 1.00 0.24 H new ATOM 0 HG2 MET A 174 4.132 -7.975 5.950 1.00 1.05 H new ATOM 0 HG3 MET A 174 3.207 -9.204 5.110 1.00 1.05 H new ATOM 0 HE1 MET A 174 2.255 -7.600 1.748 1.00 2.17 H new ATOM 0 HE2 MET A 174 2.754 -9.135 2.498 1.00 2.17 H new ATOM 0 HE3 MET A 174 1.389 -8.215 3.176 1.00 2.17 H new ATOM 2127 N THR A 175 0.280 -6.467 8.309 1.00 0.15 N ATOM 2128 CA THR A 175 -0.305 -5.309 8.977 1.00 0.15 C ATOM 2129 C THR A 175 -0.049 -5.361 10.479 1.00 0.13 C ATOM 2130 O THR A 175 0.145 -4.329 11.123 1.00 0.19 O ATOM 2131 CB THR A 175 -1.809 -5.242 8.710 1.00 0.19 C ATOM 2132 OG1 THR A 175 -2.398 -4.175 9.434 1.00 1.21 O ATOM 2133 CG2 THR A 175 -2.539 -6.513 9.086 1.00 1.25 C ATOM 0 H THR A 175 -0.398 -7.088 7.867 1.00 0.15 H new ATOM 0 HA THR A 175 0.169 -4.414 8.574 1.00 0.15 H new ATOM 0 HB THR A 175 -1.908 -5.091 7.635 1.00 0.19 H new ATOM 0 HG1 THR A 175 -3.080 -4.529 10.042 1.00 1.21 H new ATOM 0 HG21 THR A 175 -3.602 -6.399 8.872 1.00 1.25 H new ATOM 0 HG22 THR A 175 -2.139 -7.347 8.508 1.00 1.25 H new ATOM 0 HG23 THR A 175 -2.402 -6.710 10.149 1.00 1.25 H new ATOM 2141 N GLU A 176 -0.050 -6.569 11.033 1.00 0.16 N ATOM 2142 CA GLU A 176 0.182 -6.755 12.460 1.00 0.18 C ATOM 2143 C GLU A 176 1.571 -6.264 12.852 1.00 0.16 C ATOM 2144 O GLU A 176 1.723 -5.487 13.795 1.00 0.17 O ATOM 2145 CB GLU A 176 0.025 -8.230 12.838 1.00 0.24 C ATOM 2146 CG GLU A 176 -1.414 -8.720 12.797 1.00 1.34 C ATOM 2147 CD GLU A 176 -1.777 -9.568 14.001 1.00 2.10 C ATOM 2148 OE1 GLU A 176 -1.220 -9.321 15.091 1.00 2.64 O ATOM 2149 OE2 GLU A 176 -2.618 -10.479 13.854 1.00 2.75 O ATOM 0 H GLU A 176 -0.209 -7.433 10.515 1.00 0.16 H new ATOM 0 HA GLU A 176 -0.559 -6.168 13.002 1.00 0.18 H new ATOM 0 HB2 GLU A 176 0.626 -8.836 12.160 1.00 0.24 H new ATOM 0 HB3 GLU A 176 0.424 -8.384 13.841 1.00 0.24 H new ATOM 0 HG2 GLU A 176 -2.085 -7.862 12.746 1.00 1.34 H new ATOM 0 HG3 GLU A 176 -1.570 -9.301 11.888 1.00 1.34 H new ATOM 2156 N TYR A 177 2.582 -6.723 12.123 1.00 0.16 N ATOM 2157 CA TYR A 177 3.961 -6.332 12.394 1.00 0.17 C ATOM 2158 C TYR A 177 4.192 -4.863 12.054 1.00 0.17 C ATOM 2159 O TYR A 177 4.951 -4.172 12.734 1.00 0.21 O ATOM 2160 CB TYR A 177 4.926 -7.207 11.594 1.00 0.21 C ATOM 2161 CG TYR A 177 5.721 -8.170 12.445 1.00 1.11 C ATOM 2162 CD1 TYR A 177 6.875 -7.759 13.101 1.00 1.71 C ATOM 2163 CD2 TYR A 177 5.318 -9.491 12.592 1.00 2.21 C ATOM 2164 CE1 TYR A 177 7.604 -8.637 13.879 1.00 2.68 C ATOM 2165 CE2 TYR A 177 6.042 -10.376 13.368 1.00 3.21 C ATOM 2166 CZ TYR A 177 7.184 -9.944 14.009 1.00 3.30 C ATOM 2167 OH TYR A 177 7.907 -10.822 14.783 1.00 4.40 O ATOM 0 H TYR A 177 2.473 -7.367 11.339 1.00 0.16 H new ATOM 0 HA TYR A 177 4.147 -6.472 13.459 1.00 0.17 H new ATOM 0 HB2 TYR A 177 4.361 -7.772 10.853 1.00 0.21 H new ATOM 0 HB3 TYR A 177 5.616 -6.565 11.047 1.00 0.21 H new ATOM 0 HD1 TYR A 177 7.207 -6.736 13.001 1.00 1.71 H new ATOM 0 HD2 TYR A 177 4.424 -9.832 12.091 1.00 2.21 H new ATOM 0 HE1 TYR A 177 8.498 -8.302 14.383 1.00 2.68 H new ATOM 0 HE2 TYR A 177 5.715 -11.400 13.472 1.00 3.21 H new ATOM 0 HH TYR A 177 7.304 -11.494 15.165 1.00 4.40 H new ATOM 2177 N LEU A 178 3.537 -4.392 10.998 1.00 0.16 N ATOM 2178 CA LEU A 178 3.678 -3.005 10.570 1.00 0.18 C ATOM 2179 C LEU A 178 3.007 -2.057 11.559 1.00 0.15 C ATOM 2180 O LEU A 178 3.522 -0.978 11.844 1.00 0.17 O ATOM 2181 CB LEU A 178 3.077 -2.816 9.174 1.00 0.23 C ATOM 2182 CG LEU A 178 3.095 -1.378 8.646 1.00 0.33 C ATOM 2183 CD1 LEU A 178 4.426 -1.070 7.978 1.00 1.20 C ATOM 2184 CD2 LEU A 178 1.947 -1.154 7.674 1.00 1.34 C ATOM 0 H LEU A 178 2.904 -4.949 10.424 1.00 0.16 H new ATOM 0 HA LEU A 178 4.742 -2.769 10.535 1.00 0.18 H new ATOM 0 HB2 LEU A 178 3.620 -3.450 8.473 1.00 0.23 H new ATOM 0 HB3 LEU A 178 2.045 -3.168 9.189 1.00 0.23 H new ATOM 0 HG LEU A 178 2.970 -0.700 9.490 1.00 0.33 H new ATOM 0 HD11 LEU A 178 4.419 -0.044 7.609 1.00 1.20 H new ATOM 0 HD12 LEU A 178 5.233 -1.191 8.701 1.00 1.20 H new ATOM 0 HD13 LEU A 178 4.581 -1.754 7.144 1.00 1.20 H new ATOM 0 HD21 LEU A 178 1.975 -0.127 7.309 1.00 1.34 H new ATOM 0 HD22 LEU A 178 2.043 -1.841 6.833 1.00 1.34 H new ATOM 0 HD23 LEU A 178 1.000 -1.333 8.183 1.00 1.34 H new ATOM 2196 N ASN A 179 1.854 -2.467 12.076 1.00 0.14 N ATOM 2197 CA ASN A 179 1.111 -1.652 13.031 1.00 0.14 C ATOM 2198 C ASN A 179 1.663 -1.812 14.446 1.00 0.13 C ATOM 2199 O ASN A 179 1.537 -0.911 15.275 1.00 0.16 O ATOM 2200 CB ASN A 179 -0.371 -2.028 13.004 1.00 0.18 C ATOM 2201 CG ASN A 179 -1.100 -1.593 14.260 1.00 1.07 C ATOM 2202 OD1 ASN A 179 -1.207 -2.351 15.224 1.00 1.95 O ATOM 2203 ND2 ASN A 179 -1.608 -0.366 14.253 1.00 1.73 N ATOM 0 H ASN A 179 1.413 -3.359 11.850 1.00 0.14 H new ATOM 0 HA ASN A 179 1.224 -0.608 12.739 1.00 0.14 H new ATOM 0 HB2 ASN A 179 -0.844 -1.569 12.135 1.00 0.18 H new ATOM 0 HB3 ASN A 179 -0.467 -3.107 12.887 1.00 0.18 H new ATOM 0 HD21 ASN A 179 -2.111 -0.018 15.069 1.00 1.73 H new ATOM 0 HD22 ASN A 179 -1.495 0.228 13.432 1.00 1.73 H new ATOM 2210 N ARG A 180 2.267 -2.963 14.721 1.00 0.10 N ATOM 2211 CA ARG A 180 2.829 -3.234 16.040 1.00 0.11 C ATOM 2212 C ARG A 180 4.256 -2.695 16.180 1.00 0.12 C ATOM 2213 O ARG A 180 4.810 -2.686 17.279 1.00 0.14 O ATOM 2214 CB ARG A 180 2.815 -4.738 16.319 1.00 0.12 C ATOM 2215 CG ARG A 180 3.023 -5.089 17.783 1.00 1.03 C ATOM 2216 CD ARG A 180 2.372 -6.416 18.135 1.00 0.88 C ATOM 2217 NE ARG A 180 1.785 -6.400 19.472 1.00 1.42 N ATOM 2218 CZ ARG A 180 1.406 -7.493 20.131 1.00 2.25 C ATOM 2219 NH1 ARG A 180 1.553 -8.695 19.585 1.00 2.81 N ATOM 2220 NH2 ARG A 180 0.877 -7.385 21.342 1.00 2.97 N ATOM 0 H ARG A 180 2.380 -3.722 14.050 1.00 0.10 H new ATOM 0 HA ARG A 180 2.206 -2.718 16.770 1.00 0.11 H new ATOM 0 HB2 ARG A 180 1.863 -5.151 15.987 1.00 0.12 H new ATOM 0 HB3 ARG A 180 3.594 -5.216 15.725 1.00 0.12 H new ATOM 0 HG2 ARG A 180 4.090 -5.138 17.999 1.00 1.03 H new ATOM 0 HG3 ARG A 180 2.607 -4.301 18.410 1.00 1.03 H new ATOM 0 HD2 ARG A 180 1.598 -6.646 17.402 1.00 0.88 H new ATOM 0 HD3 ARG A 180 3.115 -7.211 18.075 1.00 0.88 H new ATOM 0 HE ARG A 180 1.658 -5.497 19.929 1.00 1.42 H new ATOM 0 HH11 ARG A 180 1.959 -8.786 18.654 1.00 2.81 H new ATOM 0 HH12 ARG A 180 1.260 -9.527 20.097 1.00 2.81 H new ATOM 0 HH21 ARG A 180 0.761 -6.465 21.768 1.00 2.97 H new ATOM 0 HH22 ARG A 180 0.586 -8.222 21.848 1.00 2.97 H new ATOM 2234 N HIS A 181 4.857 -2.253 15.074 1.00 0.12 N ATOM 2235 CA HIS A 181 6.219 -1.731 15.115 1.00 0.15 C ATOM 2236 C HIS A 181 6.343 -0.428 14.330 1.00 0.17 C ATOM 2237 O HIS A 181 6.585 0.633 14.904 1.00 0.32 O ATOM 2238 CB HIS A 181 7.199 -2.766 14.559 1.00 0.17 C ATOM 2239 CG HIS A 181 8.456 -2.892 15.362 1.00 1.31 C ATOM 2240 ND1 HIS A 181 8.932 -4.098 15.832 1.00 2.24 N ATOM 2241 CD2 HIS A 181 9.341 -1.954 15.776 1.00 2.14 C ATOM 2242 CE1 HIS A 181 10.053 -3.896 16.502 1.00 3.20 C ATOM 2243 NE2 HIS A 181 10.323 -2.604 16.482 1.00 3.13 N ATOM 0 H HIS A 181 4.426 -2.247 14.150 1.00 0.12 H new ATOM 0 HA HIS A 181 6.462 -1.523 16.157 1.00 0.15 H new ATOM 0 HB2 HIS A 181 6.705 -3.737 14.518 1.00 0.17 H new ATOM 0 HB3 HIS A 181 7.457 -2.496 13.535 1.00 0.17 H new ATOM 0 HD2 HIS A 181 9.285 -0.892 15.586 1.00 2.14 H new ATOM 0 HE1 HIS A 181 10.647 -4.658 16.984 1.00 3.20 H new ATOM 0 HE2 HIS A 181 11.130 -2.160 16.920 1.00 3.13 H new ATOM 2251 N LEU A 182 6.189 -0.520 13.014 1.00 0.16 N ATOM 2252 CA LEU A 182 6.298 0.648 12.146 1.00 0.18 C ATOM 2253 C LEU A 182 5.369 1.772 12.599 1.00 0.16 C ATOM 2254 O LEU A 182 5.826 2.876 12.892 1.00 0.19 O ATOM 2255 CB LEU A 182 5.979 0.265 10.700 1.00 0.24 C ATOM 2256 CG LEU A 182 7.121 0.488 9.707 1.00 1.14 C ATOM 2257 CD1 LEU A 182 7.734 -0.840 9.290 1.00 1.86 C ATOM 2258 CD2 LEU A 182 6.626 1.257 8.490 1.00 2.15 C ATOM 0 H LEU A 182 5.988 -1.392 12.524 1.00 0.16 H new ATOM 0 HA LEU A 182 7.324 1.010 12.208 1.00 0.18 H new ATOM 0 HB2 LEU A 182 5.694 -0.787 10.673 1.00 0.24 H new ATOM 0 HB3 LEU A 182 5.113 0.839 10.370 1.00 0.24 H new ATOM 0 HG LEU A 182 7.893 1.081 10.197 1.00 1.14 H new ATOM 0 HD11 LEU A 182 8.544 -0.661 8.584 1.00 1.86 H new ATOM 0 HD12 LEU A 182 8.125 -1.352 10.169 1.00 1.86 H new ATOM 0 HD13 LEU A 182 6.972 -1.460 8.818 1.00 1.86 H new ATOM 0 HD21 LEU A 182 7.451 1.407 7.794 1.00 2.15 H new ATOM 0 HD22 LEU A 182 5.835 0.690 7.999 1.00 2.15 H new ATOM 0 HD23 LEU A 182 6.237 2.225 8.805 1.00 2.15 H new ATOM 2270 N HIS A 183 4.069 1.479 12.636 1.00 0.16 N ATOM 2271 CA HIS A 183 3.052 2.455 13.035 1.00 0.16 C ATOM 2272 C HIS A 183 3.514 3.310 14.212 1.00 0.18 C ATOM 2273 O HIS A 183 3.440 4.538 14.161 1.00 0.40 O ATOM 2274 CB HIS A 183 1.750 1.739 13.395 1.00 0.17 C ATOM 2275 CG HIS A 183 0.764 2.609 14.113 1.00 0.31 C ATOM 2276 ND1 HIS A 183 -0.358 3.132 13.505 1.00 1.08 N ATOM 2277 CD2 HIS A 183 0.731 3.042 15.396 1.00 1.03 C ATOM 2278 CE1 HIS A 183 -1.037 3.850 14.382 1.00 0.90 C ATOM 2279 NE2 HIS A 183 -0.398 3.811 15.536 1.00 0.72 N ATOM 0 H HIS A 183 3.691 0.563 12.392 1.00 0.16 H new ATOM 0 HA HIS A 183 2.884 3.119 12.187 1.00 0.16 H new ATOM 0 HB2 HIS A 183 1.290 1.360 12.483 1.00 0.17 H new ATOM 0 HB3 HIS A 183 1.981 0.875 14.018 1.00 0.17 H new ATOM 0 HD2 HIS A 183 1.457 2.823 16.165 1.00 1.03 H new ATOM 0 HE1 HIS A 183 -1.958 4.379 14.188 1.00 0.90 H new ATOM 0 HE2 HIS A 183 -0.695 4.277 16.393 1.00 0.72 H new ATOM 2287 N THR A 184 3.990 2.661 15.267 1.00 0.08 N ATOM 2288 CA THR A 184 4.460 3.377 16.446 1.00 0.10 C ATOM 2289 C THR A 184 5.655 4.261 16.101 1.00 0.08 C ATOM 2290 O THR A 184 5.782 5.375 16.609 1.00 0.12 O ATOM 2291 CB THR A 184 4.839 2.389 17.552 1.00 0.16 C ATOM 2292 OG1 THR A 184 5.350 1.189 16.100 1.00 1.27 O ATOM 2293 CG2 THR A 184 3.678 2.022 18.451 1.00 1.40 C ATOM 0 H THR A 184 4.061 1.645 15.331 1.00 0.08 H new ATOM 0 HA THR A 184 3.651 4.014 16.803 1.00 0.10 H new ATOM 0 HB THR A 184 5.539 2.586 18.364 1.00 0.16 H new ATOM 0 HG1 THR A 184 6.322 1.220 15.977 1.00 1.27 H new ATOM 0 HG21 THR A 184 4.016 1.319 19.213 1.00 1.40 H new ATOM 0 HG22 THR A 184 3.292 2.921 18.932 1.00 1.40 H new ATOM 0 HG23 THR A 184 2.889 1.562 17.857 1.00 1.40 H new ATOM 2301 N TRP A 185 6.529 3.756 15.235 1.00 0.09 N ATOM 2302 CA TRP A 185 7.717 4.498 14.822 1.00 0.11 C ATOM 2303 C TRP A 185 7.356 5.673 13.916 1.00 0.09 C ATOM 2304 O TRP A 185 7.902 6.767 14.059 1.00 0.12 O ATOM 2305 CB TRP A 185 8.699 3.573 14.101 1.00 0.16 C ATOM 2306 CG TRP A 185 10.107 4.083 14.113 1.00 0.97 C ATOM 2307 CD1 TRP A 185 11.055 3.849 15.067 1.00 1.76 C ATOM 2308 CD2 TRP A 185 10.726 4.918 13.128 1.00 1.74 C ATOM 2309 NE1 TRP A 185 12.226 4.486 14.735 1.00 2.42 N ATOM 2310 CE2 TRP A 185 12.050 5.148 13.549 1.00 2.43 C ATOM 2311 CE3 TRP A 185 10.291 5.492 11.929 1.00 2.39 C ATOM 2312 CZ2 TRP A 185 12.940 5.928 12.814 1.00 3.31 C ATOM 2313 CZ3 TRP A 185 11.176 6.266 11.202 1.00 3.37 C ATOM 2314 CH2 TRP A 185 12.487 6.477 11.646 1.00 3.70 C ATOM 0 H TRP A 185 6.437 2.836 14.805 1.00 0.09 H new ATOM 0 HA TRP A 185 8.187 4.893 15.723 1.00 0.11 H new ATOM 0 HB2 TRP A 185 8.672 2.589 14.569 1.00 0.16 H new ATOM 0 HB3 TRP A 185 8.375 3.444 13.068 1.00 0.16 H new ATOM 0 HD1 TRP A 185 10.906 3.250 15.953 1.00 1.76 H new ATOM 0 HE1 TRP A 185 13.086 4.469 15.283 1.00 2.42 H new ATOM 0 HE3 TRP A 185 9.282 5.333 11.578 1.00 2.39 H new ATOM 0 HZ2 TRP A 185 13.952 6.093 13.154 1.00 3.31 H new ATOM 0 HZ3 TRP A 185 10.851 6.716 10.276 1.00 3.37 H new ATOM 0 HH2 TRP A 185 13.154 7.086 11.054 1.00 3.70 H new ATOM 2325 N ILE A 186 6.437 5.442 12.983 1.00 0.10 N ATOM 2326 CA ILE A 186 6.018 6.502 12.057 1.00 0.11 C ATOM 2327 C ILE A 186 5.147 7.529 12.768 1.00 0.10 C ATOM 2328 O ILE A 186 5.325 8.734 12.596 1.00 0.12 O ATOM 2329 CB ILE A 186 5.253 5.992 10.802 1.00 0.17 C ATOM 2330 CG1 ILE A 186 5.035 4.477 10.822 1.00 1.36 C ATOM 2331 CG2 ILE A 186 6.000 6.395 9.540 1.00 1.42 C ATOM 2332 CD1 ILE A 186 4.279 3.956 9.619 1.00 1.96 C ATOM 0 H ILE A 186 5.971 4.545 12.845 1.00 0.10 H new ATOM 0 HA ILE A 186 6.949 6.951 11.709 1.00 0.11 H new ATOM 0 HB ILE A 186 4.267 6.457 10.814 1.00 0.17 H new ATOM 0 HG12 ILE A 186 6.004 3.980 10.875 1.00 1.36 H new ATOM 0 HG13 ILE A 186 4.490 4.209 11.727 1.00 1.36 H new ATOM 0 HG21 ILE A 186 5.458 6.034 8.666 1.00 1.42 H new ATOM 0 HG22 ILE A 186 6.079 7.481 9.495 1.00 1.42 H new ATOM 0 HG23 ILE A 186 6.999 5.959 9.553 1.00 1.42 H new ATOM 0 HD11 ILE A 186 4.163 2.875 9.702 1.00 1.96 H new ATOM 0 HD12 ILE A 186 3.296 4.425 9.576 1.00 1.96 H new ATOM 0 HD13 ILE A 186 4.833 4.192 8.711 1.00 1.96 H new ATOM 2344 N GLN A 187 4.202 7.045 13.566 1.00 0.11 N ATOM 2345 CA GLN A 187 3.302 7.924 14.302 1.00 0.12 C ATOM 2346 C GLN A 187 4.087 8.920 15.149 1.00 0.10 C ATOM 2347 O GLN A 187 3.774 10.110 15.174 1.00 0.16 O ATOM 2348 CB GLN A 187 2.370 7.103 15.193 1.00 0.15 C ATOM 2349 CG GLN A 187 1.097 6.656 14.494 1.00 1.38 C ATOM 2350 CD GLN A 187 0.092 7.780 14.340 1.00 2.22 C ATOM 2351 OE1 GLN A 187 -0.218 8.202 13.226 1.00 2.53 O ATOM 2352 NE2 GLN A 187 -0.421 8.273 15.461 1.00 3.26 N ATOM 0 H GLN A 187 4.040 6.050 13.719 1.00 0.11 H new ATOM 0 HA GLN A 187 2.705 8.480 13.579 1.00 0.12 H new ATOM 0 HB2 GLN A 187 2.905 6.224 15.552 1.00 0.15 H new ATOM 0 HB3 GLN A 187 2.105 7.694 16.069 1.00 0.15 H new ATOM 0 HG2 GLN A 187 1.347 6.260 13.510 1.00 1.38 H new ATOM 0 HG3 GLN A 187 0.643 5.842 15.059 1.00 1.38 H new ATOM 0 HE21 GLN A 187 -0.135 7.893 16.363 1.00 3.26 H new ATOM 0 HE22 GLN A 187 -1.101 9.032 15.420 1.00 3.26 H new ATOM 2361 N ASP A 188 5.107 8.425 15.843 1.00 0.07 N ATOM 2362 CA ASP A 188 5.936 9.273 16.692 1.00 0.11 C ATOM 2363 C ASP A 188 6.858 10.152 15.852 1.00 0.13 C ATOM 2364 O ASP A 188 7.206 11.262 16.253 1.00 0.23 O ATOM 2365 CB ASP A 188 6.761 8.417 17.655 1.00 0.14 C ATOM 2366 CG ASP A 188 8.241 8.442 17.327 1.00 1.14 C ATOM 2367 OD1 ASP A 188 8.612 7.990 16.223 1.00 2.14 O ATOM 2368 OD2 ASP A 188 9.029 8.914 18.173 1.00 1.62 O ATOM 0 H ASP A 188 5.379 7.442 15.834 1.00 0.07 H new ATOM 0 HA ASP A 188 5.276 9.921 17.269 1.00 0.11 H new ATOM 0 HB2 ASP A 188 6.611 8.774 18.674 1.00 0.14 H new ATOM 0 HB3 ASP A 188 6.402 7.389 17.622 1.00 0.14 H new ATOM 2373 N ASN A 189 7.249 9.650 14.684 1.00 0.11 N ATOM 2374 CA ASN A 189 8.130 10.392 13.790 1.00 0.14 C ATOM 2375 C ASN A 189 7.329 11.100 12.702 1.00 0.13 C ATOM 2376 O ASN A 189 7.489 10.815 11.515 1.00 0.28 O ATOM 2377 CB ASN A 189 9.153 9.453 13.151 1.00 0.19 C ATOM 2378 CG ASN A 189 10.079 10.177 12.195 1.00 1.18 C ATOM 2379 OD1 ASN A 189 10.287 9.740 11.063 1.00 2.06 O ATOM 2380 ND2 ASN A 189 10.641 11.293 12.646 1.00 1.91 N ATOM 0 H ASN A 189 6.969 8.733 14.335 1.00 0.11 H new ATOM 0 HA ASN A 189 8.654 11.143 14.381 1.00 0.14 H new ATOM 0 HB2 ASN A 189 9.743 8.975 13.933 1.00 0.19 H new ATOM 0 HB3 ASN A 189 8.631 8.660 12.617 1.00 0.19 H new ATOM 0 HD21 ASN A 189 11.273 11.824 12.047 1.00 1.91 H new ATOM 0 HD22 ASN A 189 10.440 11.619 13.591 1.00 1.91 H new ATOM 2387 N GLY A 190 6.466 12.023 13.113 1.00 0.16 N ATOM 2388 CA GLY A 190 5.652 12.754 12.159 1.00 0.13 C ATOM 2389 C GLY A 190 4.468 11.944 11.670 1.00 0.12 C ATOM 2390 O GLY A 190 3.329 12.199 12.061 1.00 0.14 O ATOM 0 H GLY A 190 6.316 12.278 14.089 1.00 0.16 H new ATOM 0 HA2 GLY A 190 5.294 13.674 12.621 1.00 0.13 H new ATOM 0 HA3 GLY A 190 6.267 13.044 11.307 1.00 0.13 H new ATOM 2394 N GLY A 191 4.738 10.962 10.815 1.00 0.14 N ATOM 2395 CA GLY A 191 3.676 10.125 10.289 1.00 0.13 C ATOM 2396 C GLY A 191 3.925 9.701 8.855 1.00 0.13 C ATOM 2397 O GLY A 191 5.065 9.694 8.391 1.00 0.18 O ATOM 0 H GLY A 191 5.673 10.732 10.478 1.00 0.14 H new ATOM 0 HA2 GLY A 191 3.574 9.238 10.914 1.00 0.13 H new ATOM 0 HA3 GLY A 191 2.731 10.665 10.346 1.00 0.13 H new ATOM 2401 N TRP A 192 2.855 9.345 8.153 1.00 0.10 N ATOM 2402 CA TRP A 192 2.957 8.913 6.763 1.00 0.09 C ATOM 2403 C TRP A 192 3.392 10.062 5.861 1.00 0.11 C ATOM 2404 O TRP A 192 4.189 9.877 4.941 1.00 0.18 O ATOM 2405 CB TRP A 192 1.616 8.358 6.284 1.00 0.11 C ATOM 2406 CG TRP A 192 1.364 6.951 6.729 1.00 0.87 C ATOM 2407 CD1 TRP A 192 1.295 6.498 8.014 1.00 1.95 C ATOM 2408 CD2 TRP A 192 1.147 5.815 5.888 1.00 1.25 C ATOM 2409 NE1 TRP A 192 1.048 5.146 8.024 1.00 2.49 N ATOM 2410 CE2 TRP A 192 0.953 4.704 6.730 1.00 2.01 C ATOM 2411 CE3 TRP A 192 1.098 5.629 4.504 1.00 1.79 C ATOM 2412 CZ2 TRP A 192 0.714 3.426 6.231 1.00 2.54 C ATOM 2413 CZ3 TRP A 192 0.860 4.361 4.011 1.00 2.46 C ATOM 2414 CH2 TRP A 192 0.670 3.274 4.873 1.00 2.61 C ATOM 0 H TRP A 192 1.905 9.347 8.524 1.00 0.10 H new ATOM 0 HA TRP A 192 3.712 8.129 6.709 1.00 0.09 H new ATOM 0 HB2 TRP A 192 0.814 8.997 6.652 1.00 0.11 H new ATOM 0 HB3 TRP A 192 1.582 8.399 5.195 1.00 0.11 H new ATOM 0 HD1 TRP A 192 1.417 7.112 8.894 1.00 1.95 H new ATOM 0 HE1 TRP A 192 0.951 4.566 8.858 1.00 2.49 H new ATOM 0 HE3 TRP A 192 1.244 6.462 3.832 1.00 1.79 H new ATOM 0 HZ2 TRP A 192 0.569 2.585 6.893 1.00 2.54 H new ATOM 0 HZ3 TRP A 192 0.820 4.205 2.943 1.00 2.46 H new ATOM 0 HH2 TRP A 192 0.485 2.295 4.456 1.00 2.61 H new ATOM 2425 N ASP A 193 2.860 11.248 6.129 1.00 0.12 N ATOM 2426 CA ASP A 193 3.187 12.430 5.341 1.00 0.14 C ATOM 2427 C ASP A 193 4.696 12.668 5.292 1.00 0.11 C ATOM 2428 O ASP A 193 5.203 13.288 4.358 1.00 0.12 O ATOM 2429 CB ASP A 193 2.484 13.659 5.918 1.00 0.19 C ATOM 2430 CG ASP A 193 1.001 13.427 6.130 1.00 1.29 C ATOM 2431 OD1 ASP A 193 0.648 12.510 6.901 1.00 2.13 O ATOM 2432 OD2 ASP A 193 0.193 14.161 5.524 1.00 2.07 O ATOM 0 H ASP A 193 2.199 11.417 6.887 1.00 0.12 H new ATOM 0 HA ASP A 193 2.838 12.259 4.322 1.00 0.14 H new ATOM 0 HB2 ASP A 193 2.947 13.927 6.868 1.00 0.19 H new ATOM 0 HB3 ASP A 193 2.625 14.505 5.245 1.00 0.19 H new ATOM 2437 N ALA A 194 5.410 12.177 6.301 1.00 0.09 N ATOM 2438 CA ALA A 194 6.857 12.344 6.363 1.00 0.10 C ATOM 2439 C ALA A 194 7.548 11.629 5.204 1.00 0.08 C ATOM 2440 O ALA A 194 8.341 12.227 4.480 1.00 0.17 O ATOM 2441 CB ALA A 194 7.391 11.836 7.694 1.00 0.13 C ATOM 0 H ALA A 194 5.010 11.661 7.085 1.00 0.09 H new ATOM 0 HA ALA A 194 7.076 13.408 6.278 1.00 0.10 H new ATOM 0 HB1 ALA A 194 8.473 11.967 7.726 1.00 0.13 H new ATOM 0 HB2 ALA A 194 6.933 12.398 8.508 1.00 0.13 H new ATOM 0 HB3 ALA A 194 7.150 10.778 7.803 1.00 0.13 H new ATOM 2447 N PHE A 195 7.242 10.346 5.037 1.00 0.11 N ATOM 2448 CA PHE A 195 7.836 9.546 3.968 1.00 0.13 C ATOM 2449 C PHE A 195 7.628 10.202 2.606 1.00 0.11 C ATOM 2450 O PHE A 195 8.586 10.445 1.872 1.00 0.19 O ATOM 2451 CB PHE A 195 7.234 8.139 3.969 1.00 0.21 C ATOM 2452 CG PHE A 195 7.295 7.453 2.633 1.00 0.47 C ATOM 2453 CD1 PHE A 195 8.515 7.150 2.050 1.00 1.03 C ATOM 2454 CD2 PHE A 195 6.132 7.109 1.964 1.00 1.08 C ATOM 2455 CE1 PHE A 195 8.574 6.515 0.824 1.00 1.52 C ATOM 2456 CE2 PHE A 195 6.185 6.475 0.737 1.00 1.54 C ATOM 2457 CZ PHE A 195 7.407 6.178 0.166 1.00 1.63 C ATOM 0 H PHE A 195 6.585 9.836 5.628 1.00 0.11 H new ATOM 0 HA PHE A 195 8.908 9.480 4.152 1.00 0.13 H new ATOM 0 HB2 PHE A 195 7.759 7.530 4.704 1.00 0.21 H new ATOM 0 HB3 PHE A 195 6.194 8.199 4.289 1.00 0.21 H new ATOM 0 HD1 PHE A 195 9.430 7.413 2.560 1.00 1.03 H new ATOM 0 HD2 PHE A 195 5.174 7.339 2.406 1.00 1.08 H new ATOM 0 HE1 PHE A 195 9.531 6.283 0.381 1.00 1.52 H new ATOM 0 HE2 PHE A 195 5.271 6.212 0.225 1.00 1.54 H new ATOM 0 HZ PHE A 195 7.450 5.683 -0.793 1.00 1.63 H new ATOM 2467 N VAL A 196 6.373 10.482 2.270 1.00 0.11 N ATOM 2468 CA VAL A 196 6.047 11.105 0.991 1.00 0.11 C ATOM 2469 C VAL A 196 6.708 12.473 0.851 1.00 0.11 C ATOM 2470 O VAL A 196 7.196 12.826 -0.222 1.00 0.20 O ATOM 2471 CB VAL A 196 4.524 11.260 0.797 1.00 0.15 C ATOM 2472 CG1 VAL A 196 3.869 11.846 2.040 1.00 1.39 C ATOM 2473 CG2 VAL A 196 4.234 12.123 -0.421 1.00 1.40 C ATOM 0 H VAL A 196 5.566 10.288 2.864 1.00 0.11 H new ATOM 0 HA VAL A 196 6.433 10.438 0.220 1.00 0.11 H new ATOM 0 HB VAL A 196 4.099 10.270 0.633 1.00 0.15 H new ATOM 0 HG11 VAL A 196 2.796 11.944 1.874 1.00 1.39 H new ATOM 0 HG12 VAL A 196 4.046 11.187 2.890 1.00 1.39 H new ATOM 0 HG13 VAL A 196 4.295 12.828 2.247 1.00 1.39 H new ATOM 0 HG21 VAL A 196 3.156 12.224 -0.547 1.00 1.40 H new ATOM 0 HG22 VAL A 196 4.678 13.109 -0.282 1.00 1.40 H new ATOM 0 HG23 VAL A 196 4.660 11.655 -1.308 1.00 1.40 H new ATOM 2483 N GLU A 197 6.723 13.240 1.937 1.00 0.05 N ATOM 2484 CA GLU A 197 7.329 14.567 1.925 1.00 0.08 C ATOM 2485 C GLU A 197 8.841 14.468 1.766 1.00 0.07 C ATOM 2486 O GLU A 197 9.448 15.223 1.008 1.00 0.11 O ATOM 2487 CB GLU A 197 6.992 15.322 3.211 1.00 0.11 C ATOM 2488 CG GLU A 197 5.653 16.040 3.166 1.00 0.96 C ATOM 2489 CD GLU A 197 5.733 17.380 2.459 1.00 1.86 C ATOM 2490 OE1 GLU A 197 6.661 18.158 2.766 1.00 2.57 O ATOM 2491 OE2 GLU A 197 4.868 17.651 1.600 1.00 2.50 O ATOM 0 H GLU A 197 6.323 12.966 2.835 1.00 0.05 H new ATOM 0 HA GLU A 197 6.922 15.115 1.075 1.00 0.08 H new ATOM 0 HB2 GLU A 197 6.989 14.619 4.044 1.00 0.11 H new ATOM 0 HB3 GLU A 197 7.778 16.050 3.411 1.00 0.11 H new ATOM 0 HG2 GLU A 197 4.923 15.409 2.659 1.00 0.96 H new ATOM 0 HG3 GLU A 197 5.292 16.191 4.183 1.00 0.96 H new ATOM 2498 N LEU A 198 9.441 13.529 2.489 1.00 0.06 N ATOM 2499 CA LEU A 198 10.882 13.327 2.430 1.00 0.10 C ATOM 2500 C LEU A 198 11.285 12.736 1.087 1.00 0.14 C ATOM 2501 O LEU A 198 12.229 13.202 0.449 1.00 0.28 O ATOM 2502 CB LEU A 198 11.336 12.400 3.561 1.00 0.12 C ATOM 2503 CG LEU A 198 12.650 12.792 4.238 1.00 1.08 C ATOM 2504 CD1 LEU A 198 13.824 12.564 3.299 1.00 1.40 C ATOM 2505 CD2 LEU A 198 12.603 14.242 4.694 1.00 2.02 C ATOM 0 H LEU A 198 8.951 12.897 3.122 1.00 0.06 H new ATOM 0 HA LEU A 198 11.367 14.296 2.547 1.00 0.10 H new ATOM 0 HB2 LEU A 198 10.552 12.366 4.318 1.00 0.12 H new ATOM 0 HB3 LEU A 198 11.438 11.391 3.163 1.00 0.12 H new ATOM 0 HG LEU A 198 12.786 12.160 5.116 1.00 1.08 H new ATOM 0 HD11 LEU A 198 14.750 12.849 3.799 1.00 1.40 H new ATOM 0 HD12 LEU A 198 13.870 11.511 3.023 1.00 1.40 H new ATOM 0 HD13 LEU A 198 13.695 13.169 2.402 1.00 1.40 H new ATOM 0 HD21 LEU A 198 13.546 14.503 5.173 1.00 2.02 H new ATOM 0 HD22 LEU A 198 12.442 14.889 3.832 1.00 2.02 H new ATOM 0 HD23 LEU A 198 11.786 14.374 5.404 1.00 2.02 H new ATOM 2517 N TYR A 199 10.563 11.708 0.666 1.00 0.15 N ATOM 2518 CA TYR A 199 10.841 11.048 -0.600 1.00 0.16 C ATOM 2519 C TYR A 199 9.727 11.308 -1.606 1.00 0.20 C ATOM 2520 O TYR A 199 9.079 10.378 -2.086 1.00 0.26 O ATOM 2521 CB TYR A 199 11.018 9.546 -0.382 1.00 0.20 C ATOM 2522 CG TYR A 199 12.166 9.193 0.540 1.00 0.28 C ATOM 2523 CD1 TYR A 199 13.157 10.121 0.846 1.00 1.28 C ATOM 2524 CD2 TYR A 199 12.261 7.926 1.103 1.00 0.86 C ATOM 2525 CE1 TYR A 199 14.206 9.795 1.684 1.00 1.42 C ATOM 2526 CE2 TYR A 199 13.308 7.594 1.941 1.00 0.78 C ATOM 2527 CZ TYR A 199 14.276 8.531 2.229 1.00 0.57 C ATOM 2528 OH TYR A 199 15.320 8.204 3.064 1.00 0.72 O ATOM 0 H TYR A 199 9.779 11.312 1.184 1.00 0.15 H new ATOM 0 HA TYR A 199 11.766 11.459 -1.004 1.00 0.16 H new ATOM 0 HB2 TYR A 199 10.095 9.137 0.029 1.00 0.20 H new ATOM 0 HB3 TYR A 199 11.178 9.065 -1.347 1.00 0.20 H new ATOM 0 HD1 TYR A 199 13.105 11.113 0.421 1.00 1.28 H new ATOM 0 HD2 TYR A 199 11.504 7.189 0.882 1.00 0.86 H new ATOM 0 HE1 TYR A 199 14.967 10.527 1.911 1.00 1.42 H new ATOM 0 HE2 TYR A 199 13.367 6.604 2.369 1.00 0.78 H new ATOM 0 HH TYR A 199 14.966 7.847 3.905 1.00 0.72 H new ATOM 2538 N GLY A 200 9.514 12.581 -1.924 1.00 0.20 N ATOM 2539 CA GLY A 200 8.482 12.941 -2.876 1.00 0.26 C ATOM 2540 C GLY A 200 8.100 12.931 -4.305 1.00 0.22 C ATOM 2541 O GLY A 200 10.120 13.371 -4.558 1.00 0.28 O ATOM 0 H GLY A 200 10.037 13.368 -1.540 1.00 0.20 H new ATOM 0 HA2 GLY A 200 7.625 12.427 -2.440 1.00 0.26 H new ATOM 0 HA3 GLY A 200 8.367 14.001 -2.650 1.00 0.26 H new ATOM 2545 N PRO A 201 8.206 12.434 -5.270 1.00 0.15 N ATOM 2546 CA PRO A 201 8.621 12.382 -6.676 1.00 0.12 C ATOM 2547 C PRO A 201 9.012 13.755 -7.214 1.00 0.10 C ATOM 2548 O PRO A 201 8.852 14.769 -6.535 1.00 0.18 O ATOM 2549 CB PRO A 201 7.381 11.856 -7.405 1.00 0.12 C ATOM 2550 CG PRO A 201 6.587 11.153 -6.358 1.00 0.16 C ATOM 2551 CD PRO A 201 6.852 11.886 -5.074 1.00 0.15 C ATOM 0 HA PRO A 201 9.504 11.757 -6.813 1.00 0.12 H new ATOM 0 HB2 PRO A 201 6.811 12.670 -7.852 1.00 0.12 H new ATOM 0 HB3 PRO A 201 7.656 11.178 -8.213 1.00 0.12 H new ATOM 0 HG2 PRO A 201 5.525 11.164 -6.601 1.00 0.16 H new ATOM 0 HG3 PRO A 201 6.885 10.108 -6.279 1.00 0.16 H new ATOM 0 HD2 PRO A 201 6.120 12.675 -4.903 1.00 0.15 H new ATOM 0 HD3 PRO A 201 6.809 11.218 -4.213 1.00 0.15 H new ATOM 2559 N SER A 202 9.528 13.777 -8.438 1.00 0.07 N ATOM 2560 CA SER A 202 9.947 15.023 -9.071 1.00 0.07 C ATOM 2561 C SER A 202 8.827 16.059 -9.042 1.00 0.07 C ATOM 2562 O SER A 202 7.732 15.820 -9.553 1.00 0.15 O ATOM 2563 CB SER A 202 10.378 14.765 -10.515 1.00 0.08 C ATOM 2564 OG SER A 202 11.666 15.299 -10.767 1.00 1.28 O ATOM 0 H SER A 202 9.666 12.946 -9.012 1.00 0.07 H new ATOM 0 HA SER A 202 10.793 15.417 -8.508 1.00 0.07 H new ATOM 0 HB2 SER A 202 10.381 13.693 -10.711 1.00 0.08 H new ATOM 0 HB3 SER A 202 9.656 15.212 -11.198 1.00 0.08 H new ATOM 0 HG SER A 202 11.919 15.119 -11.697 1.00 1.28 H new ATOM 2570 N MET A 203 9.112 17.212 -8.446 1.00 0.08 N ATOM 2571 CA MET A 203 8.134 18.290 -8.355 1.00 0.07 C ATOM 2572 C MET A 203 6.933 17.878 -7.507 1.00 0.07 C ATOM 2573 O MET A 203 6.849 18.224 -6.328 1.00 0.10 O ATOM 2574 CB MET A 203 7.675 18.707 -9.754 1.00 0.08 C ATOM 2575 CG MET A 203 8.267 20.027 -10.220 1.00 1.13 C ATOM 2576 SD MET A 203 7.067 21.063 -11.079 1.00 1.94 S ATOM 2577 CE MET A 203 6.824 20.121 -12.582 1.00 2.60 C ATOM 0 H MET A 203 10.013 17.424 -8.018 1.00 0.08 H new ATOM 0 HA MET A 203 8.614 19.140 -7.869 1.00 0.07 H new ATOM 0 HB2 MET A 203 7.946 17.926 -10.464 1.00 0.08 H new ATOM 0 HB3 MET A 203 6.588 18.783 -9.763 1.00 0.08 H new ATOM 0 HG2 MET A 203 8.658 20.569 -9.359 1.00 1.13 H new ATOM 0 HG3 MET A 203 9.110 19.829 -10.882 1.00 1.13 H new ATOM 0 HE1 MET A 203 6.105 20.634 -13.221 1.00 2.60 H new ATOM 0 HE2 MET A 203 7.773 20.025 -13.109 1.00 2.60 H new ATOM 0 HE3 MET A 203 6.445 19.130 -12.333 1.00 2.60 H new ATOM 2587 N ARG A 204 6.003 17.141 -8.109 1.00 0.09 N ATOM 2588 CA ARG A 204 4.810 16.690 -7.400 1.00 0.09 C ATOM 2589 C ARG A 204 5.080 15.387 -6.654 1.00 0.10 C ATOM 2590 O ARG A 204 4.844 15.349 -5.427 1.00 1.06 O ATOM 2591 CB ARG A 204 3.646 16.501 -8.375 1.00 0.07 C ATOM 2592 CG ARG A 204 3.905 15.443 -9.436 1.00 1.35 C ATOM 2593 CD ARG A 204 3.286 14.108 -9.052 1.00 2.18 C ATOM 2594 NE ARG A 204 1.870 14.039 -9.406 1.00 2.78 N ATOM 2595 CZ ARG A 204 1.416 14.020 -10.658 1.00 3.69 C ATOM 2596 NH1 ARG A 204 2.259 14.080 -11.682 1.00 4.20 N ATOM 2597 NH2 ARG A 204 0.112 13.946 -10.887 1.00 4.46 N ATOM 2598 OXT ARG A 204 5.522 14.417 -7.301 1.00 1.10 O ATOM 0 H ARG A 204 6.053 16.844 -9.084 1.00 0.09 H new ATOM 0 HA ARG A 204 4.542 17.457 -6.673 1.00 0.09 H new ATOM 0 HB2 ARG A 204 2.753 16.228 -7.813 1.00 0.07 H new ATOM 0 HB3 ARG A 204 3.436 17.451 -8.866 1.00 0.07 H new ATOM 0 HG2 ARG A 204 3.495 15.775 -10.390 1.00 1.35 H new ATOM 0 HG3 ARG A 204 4.979 15.321 -9.576 1.00 1.35 H new ATOM 0 HD2 ARG A 204 3.824 13.302 -9.551 1.00 2.18 H new ATOM 0 HD3 ARG A 204 3.400 13.951 -7.979 1.00 2.18 H new ATOM 0 HE ARG A 204 1.188 14.003 -8.648 1.00 2.78 H new ATOM 0 HH11 ARG A 204 3.263 14.141 -11.513 1.00 4.20 H new ATOM 0 HH12 ARG A 204 1.903 14.065 -12.638 1.00 4.20 H new ATOM 0 HH21 ARG A 204 -0.542 13.904 -10.105 1.00 4.46 H new ATOM 0 HH22 ARG A 204 -0.238 13.931 -11.845 1.00 4.46 H new TER 2612 ARG A 204 HETATM 2613 C8 43B A1000 13.546 -8.614 5.049 1.00 0.93 C HETATM 2614 C9 43B A1000 14.929 -9.199 5.302 1.00 0.89 C HETATM 2615 C10 43B A1000 15.994 -8.240 4.828 1.00 0.55 C HETATM 2616 S11 43B A1000 17.672 -8.625 4.419 1.00 1.05 S HETATM 2617 C12 43B A1000 18.156 -6.977 3.987 1.00 1.12 C HETATM 2618 C13 43B A1000 16.986 -6.235 4.187 1.00 0.49 C HETATM 2619 N14 43B A1000 15.862 -6.941 4.632 1.00 0.57 N HETATM 2620 C15 43B A1000 16.980 -4.853 3.942 1.00 0.38 C HETATM 2621 C16 43B A1000 18.146 -4.217 3.496 1.00 0.82 C HETATM 2622 C17 43B A1000 19.315 -4.965 3.296 1.00 1.55 C HETATM 2623 C18 43B A1000 19.320 -6.342 3.543 1.00 1.70 C HETATM 2624 C19 43B A1000 18.161 -2.758 3.234 1.00 0.68 C HETATM 2625 C20 43B A1000 19.191 -2.211 2.464 1.00 0.85 C HETATM 2626 C21 43B A1000 19.228 -0.837 2.215 1.00 0.79 C HETATM 2627 C22 43B A1000 18.231 0.000 2.724 1.00 0.50 C HETATM 2628 C23 43B A1000 17.187 -0.541 3.496 1.00 0.44 C HETATM 2629 C24 43B A1000 17.157 -1.924 3.754 1.00 0.56 C HETATM 2630 C25 43B A1000 18.305 1.455 2.442 1.00 0.47 C HETATM 2631 N26 43B A1000 17.393 2.294 2.931 1.00 0.33 N HETATM 2632 S27 43B A1000 17.512 4.014 2.597 1.00 0.39 S HETATM 2633 C28 43B A1000 16.348 4.477 1.251 1.00 0.39 C HETATM 2634 O29 43B A1000 19.227 1.889 1.754 1.00 0.73 O HETATM 2635 O30 43B A1000 17.185 4.752 3.779 1.00 0.51 O HETATM 2636 O31 43B A1000 18.845 4.348 2.197 1.00 0.43 O HETATM 2637 C32 43B A1000 14.978 4.493 1.502 1.00 0.46 C HETATM 2638 C33 43B A1000 14.080 4.842 0.494 1.00 0.50 C HETATM 2639 C34 43B A1000 14.553 5.183 -0.781 1.00 0.47 C HETATM 2640 C35 43B A1000 15.929 5.173 -1.033 1.00 0.43 C HETATM 2641 C36 43B A1000 16.828 4.813 -0.019 1.00 0.40 C HETATM 2642 N37 43B A1000 12.646 4.843 0.799 1.00 0.62 N HETATM 2643 O38 43B A1000 12.276 4.543 1.917 1.00 0.69 O HETATM 2644 O39 43B A1000 11.830 5.141 -0.053 1.00 0.67 O HETATM 2645 N40 43B A1000 13.647 5.525 -1.818 1.00 0.53 N HETATM 2646 C41 43B A1000 14.151 5.795 -3.169 1.00 0.54 C HETATM 2647 C42 43B A1000 13.041 5.587 -4.192 1.00 0.74 C HETATM 2648 S43 43B A1000 12.501 3.846 -4.223 1.00 0.30 S HETATM 2649 C44 43B A1000 13.449 2.886 -3.076 1.00 0.30 C HETATM 2650 C45 43B A1000 14.755 2.500 -3.396 1.00 0.34 C HETATM 2651 C46 43B A1000 15.507 1.752 -2.482 1.00 0.39 C HETATM 2652 C47 43B A1000 14.946 1.379 -1.255 1.00 0.41 C HETATM 2653 C48 43B A1000 13.638 1.756 -0.941 1.00 0.37 C HETATM 2654 C49 43B A1000 12.887 2.504 -1.851 1.00 0.31 C HETATM 2655 C1 43B A1000 12.705 -8.568 0.824 1.00 0.42 C HETATM 2656 C2 43B A1000 12.506 -9.739 1.564 1.00 1.12 C HETATM 2657 C3 43B A1000 12.775 -9.754 2.937 1.00 1.17 C HETATM 2658 C4 43B A1000 13.250 -8.600 3.571 1.00 0.59 C HETATM 2659 C5 43B A1000 13.450 -7.429 2.829 1.00 1.29 C HETATM 2660 C6 43B A1000 13.177 -7.412 1.456 1.00 1.27 C HETATM 0 HR 43B A1000 15.530 0.794 -0.544 1.00 0.41 H new HETATM 0 HQ2 43B A1000 13.203 1.466 0.015 1.00 0.37 H new HETATM 0 HQ1 43B A1000 16.529 1.460 -2.726 1.00 0.39 H new HETATM 0 HP2 43B A1000 11.864 2.790 -1.608 1.00 0.31 H new HETATM 0 HP1 43B A1000 15.187 2.781 -4.356 1.00 0.34 H new HETATM 0 HO2 43B A1000 12.194 6.230 -3.951 1.00 0.74 H new HETATM 0 HO1 43B A1000 13.393 5.880 -5.181 1.00 0.74 H new HETATM 0 HN2 43B A1000 14.525 6.817 -3.229 1.00 0.54 H new HETATM 0 HN1 43B A1000 14.990 5.135 -3.391 1.00 0.54 H new HETATM 0 HM 43B A1000 17.899 4.795 -0.220 1.00 0.40 H new HETATM 0 HL 43B A1000 16.303 5.446 -2.020 1.00 0.43 H new HETATM 0 HK 43B A1000 14.606 4.231 2.492 1.00 0.46 H new HETATM 0 HJ2 43B A1000 16.406 0.107 3.892 1.00 0.44 H new HETATM 0 HJ1 43B A1000 20.039 -0.415 1.621 1.00 0.79 H new HETATM 0 HI2 43B A1000 16.355 -2.348 4.357 1.00 0.56 H new HETATM 0 HI1 43B A1000 19.968 -2.858 2.057 1.00 0.85 H new HETATM 0 HH 43B A1000 20.231 -6.920 3.389 1.00 1.70 H new HETATM 0 HG 43B A1000 20.222 -4.472 2.947 1.00 1.55 H new HETATM 0 HF 43B A1000 16.069 -4.275 4.099 1.00 0.38 H new HETATM 0 HE2 43B A1000 15.058 -9.401 6.365 1.00 0.89 H new HETATM 0 HE1 43B A1000 15.030 -10.152 4.782 1.00 0.89 H new HETATM 0 HD2 43B A1000 12.793 -9.202 5.573 1.00 0.93 H new HETATM 0 HD1 43B A1000 13.493 -7.601 5.448 1.00 0.93 H new HETATM 0 HC2 43B A1000 13.819 -6.529 3.321 1.00 1.29 H new HETATM 0 HC1 43B A1000 12.615 -10.665 3.513 1.00 1.17 H new HETATM 0 HB2 43B A1000 13.332 -6.500 0.880 1.00 1.27 H new HETATM 0 HB1 43B A1000 12.141 -10.640 1.071 1.00 1.12 H new HETATM 0 HA 43B A1000 12.492 -8.556 -0.245 1.00 0.42 H new HETATM 0 H40 43B A1000 12.647 5.583 -1.625 1.00 0.53 H new HETATM 0 H26 43B A1000 16.625 1.937 3.500 1.00 0.33 H new CONECT 2613 2614 2658 2661 2662 CONECT 2614 2613 2615 2663 2664 CONECT 2615 2614 2616 2619 CONECT 2616 2615 2617 CONECT 2617 2616 2618 2623 CONECT 2618 2617 2619 2620 CONECT 2619 2615 2618 CONECT 2620 2618 2621 2665 CONECT 2621 2620 2622 2624 CONECT 2622 2621 2623 2666 CONECT 2623 2617 2622 2667 CONECT 2624 2621 2625 2629 CONECT 2625 2624 2626 2668 CONECT 2626 2625 2627 2669 CONECT 2627 2626 2628 2630 CONECT 2628 2627 2629 2670 CONECT 2629 2624 2628 2671 CONECT 2630 2627 2631 2634 CONECT 2631 2630 2632 2672 CONECT 2632 2631 2633 2635 2636 CONECT 2633 2632 2637 2641 CONECT 2634 2630 CONECT 2635 2632 CONECT 2636 2632 CONECT 2637 2633 2638 2673 CONECT 2638 2637 2639 2642 CONECT 2639 2638 2640 2645 CONECT 2640 2639 2641 2674 CONECT 2641 2633 2640 2675 CONECT 2642 2638 2643 2644 CONECT 2643 2642 CONECT 2644 2642 CONECT 2645 2639 2646 2676 CONECT 2646 2645 2647 2677 2678 CONECT 2647 2646 2648 2679 2680 CONECT 2648 2647 2649 CONECT 2649 2648 2650 2654 CONECT 2650 2649 2651 2681 CONECT 2651 2650 2652 2682 CONECT 2652 2651 2653 2683 CONECT 2653 2652 2654 2684 CONECT 2654 2649 2653 2685 CONECT 2655 2656 2660 2686 CONECT 2656 2655 2657 2687 CONECT 2657 2656 2658 2688 CONECT 2658 2613 2657 2659 CONECT 2659 2658 2660 2689 CONECT 2660 2655 2659 2690 CONECT 2661 2613 CONECT 2662 2613 CONECT 2663 2614 CONECT 2664 2614 CONECT 2665 2620 CONECT 2666 2622 CONECT 2667 2623 CONECT 2668 2625 CONECT 2669 2626 CONECT 2670 2628 CONECT 2671 2629 CONECT 2672 2631 CONECT 2673 2637 CONECT 2674 2640 CONECT 2675 2641 CONECT 2676 2645 CONECT 2677 2646 CONECT 2678 2646 CONECT 2679 2647 CONECT 2680 2647 CONECT 2681 2650 CONECT 2682 2651 CONECT 2683 2652 CONECT 2684 2653 CONECT 2685 2654 CONECT 2686 2655 CONECT 2687 2656 CONECT 2688 2657 CONECT 2689 2659 CONECT 2690 2660 END