USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1388 hydrogens (22 hets) HEADER APOPTOSIS 08-FEB-05 1YSI TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN TITLE 2 COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BCL-2-LIKE 1 PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BCL2L1, BCL2L, BCLX; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET30B KEYWDS COMPLEX, APOPTOSIS EXPDTA SOLUTION NMR AUTHOR T.OLTERSDORF,S.W.ELMORE,A.R.SHOEMAKER,R.C.ARMSTRONG, AUTHOR 2 D.J.AUGERI,B.A.BELLI,M.BRUNCKO,T.L.DECKWERTH,J.DINGES, AUTHOR 3 P.J.HAJDUK,M.K.JOSEPH,S.KITADA,S.J.KORSMEYER,A.R.KUNZER, AUTHOR 4 A.LETAI,C.LI,M.J.MITTEN,D.G.NETTESHEIM,S.NG,P.M.NIMMER, AUTHOR 5 J.M.O'CONNOR,A.OLEKSIJEW,A.M.PETROS,J.C.REED,W.SHEN, AUTHOR 6 S.K.TAHIR,C.B.THOMPSON,K.J.TOMASELLI,B.WANG,M.D.WENDT, AUTHOR 7 H.ZHANG,S.W.FESIK,S.H.ROSENBERG REVDAT 3 24-FEB-09 1YSI 1 VERSN REVDAT 2 23-OCT-07 1YSI 1 REMARK REVDAT 1 07-JUN-05 1YSI 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 1YSI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB031880. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM BCL-XL U-15N,13C 50MM REMARK 210 SODIUM PHOSPHATE, 5 MM REMARK 210 DEUTERATED DITHIOTHREITOL, REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 13C-EDITED_12C-FILTERED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 MET A 3 55.83 34.65 REMARK 500 GLN A 7 33.99 -164.78 REMARK 500 ASN A 9 -52.94 -122.23 REMARK 500 SER A 27 -158.15 66.24 REMARK 500 TRP A 28 -45.25 -150.55 REMARK 500 PHE A 31 -72.29 -55.81 REMARK 500 ASP A 33 -124.27 62.74 REMARK 500 VAL A 34 140.82 79.54 REMARK 500 ASN A 37 -79.24 -54.36 REMARK 500 ARG A 38 -71.15 174.13 REMARK 500 THR A 39 61.85 65.16 REMARK 500 GLU A 43 -84.79 61.03 REMARK 500 THR A 45 -43.06 -165.08 REMARK 500 GLU A 46 39.75 32.78 REMARK 500 GLU A 102 48.61 -92.42 REMARK 500 LEU A 103 -57.66 -150.85 REMARK 500 TYR A 105 76.55 -102.40 REMARK 500 ALA A 108 -70.82 -105.86 REMARK 500 ALA A 123 -77.79 179.52 REMARK 500 LYS A 161 -76.41 -78.20 REMARK 500 GLU A 162 37.76 -178.06 REMARK 500 ASP A 180 13.46 -141.44 REMARK 500 LEU A 182 -36.74 -177.62 REMARK 500 ASN A 202 54.86 -142.22 REMARK 500 ARG A 208 -81.35 64.29 REMARK 500 LYS A 209 -97.96 -58.83 REMARK 500 GLN A 211 -89.88 -52.58 REMARK 500 GLU A 212 75.69 52.84 REMARK 500 ARG A 213 -69.03 69.52 REMARK 500 LEU A 214 32.81 -165.23 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 ARG A 10 0.29 SIDE_CHAIN REMARK 500 ARG A 38 0.32 SIDE_CHAIN REMARK 500 ARG A 95 0.27 SIDE_CHAIN REMARK 500 ARG A 104 0.30 SIDE_CHAIN REMARK 500 ARG A 106 0.27 SIDE_CHAIN REMARK 500 ARG A 107 0.28 SIDE_CHAIN REMARK 500 ARG A 136 0.28 SIDE_CHAIN REMARK 500 ARG A 143 0.20 SIDE_CHAIN REMARK 500 ARG A 169 0.31 SIDE_CHAIN REMARK 500 ARG A 208 0.31 SIDE_CHAIN REMARK 500 ARG A 213 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE N3B A 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LXL RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF SAME PROTEIN, UNCOMPLEXED REMARK 900 RELATED ID: 1MAZ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF SAME PROTEIN, UNCOMPLEXED REMARK 900 RELATED ID: 1BXL RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF SAME PROTEIN COMPLEXED WITH BAK REMARK 900 PEPTIDE REMARK 900 RELATED ID: 1G5J RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF SAME PROTEIN COMPLEXED WITH BAD REMARK 900 PEPTIDE REMARK 900 RELATED ID: 1YSG RELATED DB: PDB REMARK 900 RELATED ID: 1YSX RELATED DB: PDB REMARK 900 RELATED ID: 1YSN RELATED DB: PDB REMARK 900 RELATED ID: 1YSW RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUES 49-88 (SEQUENCE DATABASE RESIDUES 45-84) REMARK 999 ARE NOT PRESENT DUE TO A LOOP DELETION. DBREF 1YSI A 5 48 UNP Q07817 BCLX_HUMAN 1 44 DBREF 1YSI A 89 213 UNP Q07817 BCLX_HUMAN 85 209 SEQADV 1YSI MET A 1 UNP Q07817 EXPRESSION TAG SEQADV 1YSI SER A 2 UNP Q07817 EXPRESSION TAG SEQADV 1YSI MET A 3 UNP Q07817 EXPRESSION TAG SEQADV 1YSI ALA A 4 UNP Q07817 EXPRESSION TAG SEQADV 1YSI LEU A 214 UNP Q07817 EXPRESSION TAG SEQADV 1YSI GLU A 215 UNP Q07817 EXPRESSION TAG SEQADV 1YSI HIS A 216 UNP Q07817 EXPRESSION TAG SEQADV 1YSI HIS A 217 UNP Q07817 EXPRESSION TAG SEQADV 1YSI HIS A 218 UNP Q07817 EXPRESSION TAG SEQADV 1YSI HIS A 219 UNP Q07817 EXPRESSION TAG SEQADV 1YSI HIS A 220 UNP Q07817 EXPRESSION TAG SEQADV 1YSI HIS A 181 UNP Q07817 EXPRESSION TAG SEQRES 1 A 181 MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL SEQRES 2 A 181 VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SEQRES 3 A 181 SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 181 GLU ALA PRO GLU GLY THR GLU SER GLU ALA VAL LYS GLN SEQRES 5 A 181 ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR SEQRES 6 A 181 ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE SEQRES 7 A 181 THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL SEQRES 8 A 181 ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 181 VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SEQRES 10 A 181 SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE SEQRES 11 A 181 ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU SEQRES 12 A 181 PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL SEQRES 13 A 181 GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG LYS SEQRES 14 A 181 GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS HET N3B A1000 60 HETNAM N3B N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4- HETNAM 2 N3B {[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE FORMUL 2 N3B C27 H22 F N3 O5 S2 HELIX 1 1 ASN A 9 GLY A 25 1 17 HELIX 2 2 ALA A 89 TYR A 105 1 17 HELIX 3 3 PHE A 109 GLN A 115 1 7 HELIX 4 4 ALA A 123 PHE A 135 1 13 HELIX 5 5 ASN A 140 GLU A 162 1 23 HELIX 6 6 LEU A 166 ASP A 180 1 15 HELIX 7 7 LEU A 182 GLY A 190 1 9 HELIX 8 8 GLY A 191 LEU A 198 1 8 SITE *** AC1 10 PHE A 101 TYR A 105 ALA A 108 PHE A 109 SITE *** AC1 10 LEU A 134 ASN A 140 GLY A 142 ARG A 143 SITE *** AC1 10 VAL A 145 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 122 THR OG1 : rot 145:sc= -0.389 USER MOD Set 1.2: A 126 SER OG : rot 180:sc= 0.00866 USER MOD Set 2.1: A 1 MET CE :methyl -158:sc= -0.239 (180deg=-1.76!) USER MOD Set 2.2: A 1 MET N :NH3+ -153:sc= -0.0443 (180deg=-0.584) USER MOD Set 2.3: A 3 MET CE :methyl 156:sc= -0.0174 (180deg=-0.0105) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -151:sc= -1.83 (180deg=-4.13!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -154:sc= 1.11 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.041) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.249 K(o=-0.25,f=-1) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 45 THR OG1 : rot -0:sc= 1.08 USER MOD Single : A 47 SER OG : rot -67:sc= 1.19 USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= 0.319 (180deg=-1.18!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 30:sc= -0.974 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.675 K(o=-0.68,f=-1.7!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.28) USER MOD Single : A 129 GLN : amide:sc= -0.099 K(o=-0.099,f=-1.4) USER MOD Single : A 132 ASN : amide:sc= -0.0851 K(o=-0.085,f=-2!) USER MOD Single : A 140 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 149 SER OG : rot -120:sc= -0.0106 USER MOD Single : A 155 CYS SG : rot 67:sc= -1.49! USER MOD Single : A 158 SER OG : rot 180:sc= -0.0891 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 174 MET CE :methyl -158:sc= -3.67 (180deg=-5.13!) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 TYR OH : rot 180:sc= -0.954 USER MOD Single : A 179 ASN : amide:sc= -0.087 K(o=-0.087,f=-2.3!) USER MOD Single : A 181 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 187 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.5!) USER MOD Single : A 189 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.83) USER MOD Single : A 194 THR OG1 : rot -130:sc=-0.00242 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 ASN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 202 ASN : amide:sc= -0.762 K(o=-0.76,f=-1.5) USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 LYS NZ :NH3+ 137:sc= -0.84 (180deg=-2.41!) USER MOD Single : A 211 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.041) USER MOD Single : A 216 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 217 HIS : no HD1:sc= -0.0902 X(o=-0.09,f=-0.0087) USER MOD Single : A 218 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.2) USER MOD Single : A 219 HIS : no HD1:sc= -0.0923 K(o=-0.092,f=-0.87) USER MOD Single : A 220 HIS : no HE2:sc= -0.748 K(o=-0.75,f=-3.9!) USER MOD Single : A 221 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.774 18.690 20.135 1.00 0.12 N ATOM 2 CA MET A 1 3.630 17.556 19.686 1.00 0.12 C ATOM 3 C MET A 1 3.370 17.276 18.205 1.00 0.11 C ATOM 4 O MET A 1 2.815 18.093 17.497 1.00 0.11 O ATOM 5 CB MET A 1 3.299 16.308 20.508 1.00 0.12 C ATOM 6 CG MET A 1 3.273 16.667 21.994 1.00 0.12 C ATOM 7 SD MET A 1 3.174 15.152 22.979 1.00 0.13 S ATOM 8 CE MET A 1 1.700 14.464 22.186 1.00 0.12 C ATOM 0 H1 MET A 1 3.231 19.176 20.933 1.00 0.12 H new ATOM 0 H2 MET A 1 2.645 19.360 19.350 1.00 0.12 H new ATOM 0 H3 MET A 1 1.847 18.327 20.436 1.00 0.12 H new ATOM 0 HA MET A 1 4.679 17.815 19.828 1.00 0.12 H new ATOM 0 HB2 MET A 1 2.333 15.905 20.204 1.00 0.12 H new ATOM 0 HB3 MET A 1 4.041 15.531 20.324 1.00 0.12 H new ATOM 0 HG2 MET A 1 4.169 17.228 22.259 1.00 0.12 H new ATOM 0 HG3 MET A 1 2.419 17.310 22.209 1.00 0.12 H new ATOM 0 HE1 MET A 1 1.226 13.749 22.858 1.00 0.12 H new ATOM 0 HE2 MET A 1 1.000 15.268 21.959 1.00 0.12 H new ATOM 0 HE3 MET A 1 1.985 13.960 21.262 1.00 0.12 H new ATOM 20 N SER A 2 3.768 16.128 17.730 1.00 0.11 N ATOM 21 CA SER A 2 3.544 15.800 16.294 1.00 0.10 C ATOM 22 C SER A 2 2.411 14.779 16.167 1.00 0.10 C ATOM 23 O SER A 2 1.689 14.782 15.191 1.00 0.09 O ATOM 24 CB SER A 2 4.826 15.215 15.702 1.00 0.11 C ATOM 25 OG SER A 2 4.722 15.195 14.285 1.00 0.10 O ATOM 0 H SER A 2 4.238 15.404 18.273 1.00 0.11 H new ATOM 0 HA SER A 2 3.272 16.707 15.754 1.00 0.10 H new ATOM 0 HB2 SER A 2 5.686 15.811 16.007 1.00 0.11 H new ATOM 0 HB3 SER A 2 4.988 14.206 16.081 1.00 0.11 H new ATOM 0 HG SER A 2 5.543 14.822 13.902 1.00 0.10 H new ATOM 31 N MET A 3 2.270 13.916 17.157 1.00 0.10 N ATOM 32 CA MET A 3 1.199 12.857 17.158 1.00 0.09 C ATOM 33 C MET A 3 0.930 12.340 15.741 1.00 0.09 C ATOM 34 O MET A 3 -0.184 12.370 15.259 1.00 0.08 O ATOM 35 CB MET A 3 -0.103 13.405 17.768 1.00 0.09 C ATOM 36 CG MET A 3 -0.326 14.865 17.364 1.00 0.10 C ATOM 37 SD MET A 3 0.847 15.926 18.243 1.00 0.10 S ATOM 38 CE MET A 3 -0.311 16.559 19.482 1.00 0.10 C ATOM 0 H MET A 3 2.868 13.903 17.983 1.00 0.10 H new ATOM 0 HA MET A 3 1.556 12.026 17.767 1.00 0.09 H new ATOM 0 HB2 MET A 3 -0.947 12.799 17.437 1.00 0.09 H new ATOM 0 HB3 MET A 3 -0.061 13.327 18.854 1.00 0.09 H new ATOM 0 HG2 MET A 3 -0.198 14.978 16.288 1.00 0.10 H new ATOM 0 HG3 MET A 3 -1.348 15.165 17.597 1.00 0.10 H new ATOM 0 HE1 MET A 3 0.241 16.882 20.364 1.00 0.10 H new ATOM 0 HE2 MET A 3 -0.861 17.404 19.068 1.00 0.10 H new ATOM 0 HE3 MET A 3 -1.012 15.772 19.761 1.00 0.10 H new ATOM 48 N ALA A 4 1.945 11.867 15.072 1.00 0.09 N ATOM 49 CA ALA A 4 1.751 11.350 13.688 1.00 0.08 C ATOM 50 C ALA A 4 0.919 10.067 13.729 1.00 0.08 C ATOM 51 O ALA A 4 0.570 9.575 14.784 1.00 0.08 O ATOM 52 CB ALA A 4 3.114 11.053 13.061 1.00 0.09 C ATOM 0 H ALA A 4 2.901 11.816 15.424 1.00 0.09 H new ATOM 0 HA ALA A 4 1.230 12.099 13.092 1.00 0.08 H new ATOM 0 HB1 ALA A 4 2.974 10.675 12.048 1.00 0.09 H new ATOM 0 HB2 ALA A 4 3.706 11.967 13.028 1.00 0.09 H new ATOM 0 HB3 ALA A 4 3.634 10.305 13.659 1.00 0.09 H new ATOM 58 N MET A 5 0.601 9.523 12.586 1.00 0.07 N ATOM 59 CA MET A 5 -0.207 8.271 12.552 1.00 0.07 C ATOM 60 C MET A 5 -1.494 8.468 13.355 1.00 0.07 C ATOM 61 O MET A 5 -2.035 7.537 13.918 1.00 0.06 O ATOM 62 CB MET A 5 0.604 7.124 13.159 1.00 0.07 C ATOM 63 CG MET A 5 1.897 6.937 12.363 1.00 0.07 C ATOM 64 SD MET A 5 1.759 7.797 10.776 1.00 0.07 S ATOM 65 CE MET A 5 3.418 8.519 10.763 1.00 0.08 C ATOM 0 H MET A 5 0.866 9.892 11.673 1.00 0.07 H new ATOM 0 HA MET A 5 -0.459 8.031 11.519 1.00 0.07 H new ATOM 0 HB2 MET A 5 0.835 7.340 14.202 1.00 0.07 H new ATOM 0 HB3 MET A 5 0.020 6.204 13.145 1.00 0.07 H new ATOM 0 HG2 MET A 5 2.744 7.327 12.928 1.00 0.07 H new ATOM 0 HG3 MET A 5 2.085 5.876 12.199 1.00 0.07 H new ATOM 0 HE1 MET A 5 3.404 9.453 10.201 1.00 0.08 H new ATOM 0 HE2 MET A 5 3.737 8.716 11.786 1.00 0.08 H new ATOM 0 HE3 MET A 5 4.114 7.824 10.294 1.00 0.08 H new ATOM 75 N SER A 6 -1.992 9.673 13.412 1.00 0.07 N ATOM 76 CA SER A 6 -3.245 9.925 14.178 1.00 0.07 C ATOM 77 C SER A 6 -4.451 9.546 13.316 1.00 0.06 C ATOM 78 O SER A 6 -5.464 9.095 13.812 1.00 0.06 O ATOM 79 CB SER A 6 -3.329 11.406 14.548 1.00 0.07 C ATOM 80 OG SER A 6 -3.450 11.532 15.958 1.00 0.08 O ATOM 0 H SER A 6 -1.586 10.493 12.962 1.00 0.07 H new ATOM 0 HA SER A 6 -3.243 9.324 15.087 1.00 0.07 H new ATOM 0 HB2 SER A 6 -2.439 11.931 14.200 1.00 0.07 H new ATOM 0 HB3 SER A 6 -4.185 11.868 14.055 1.00 0.07 H new ATOM 0 HG SER A 6 -3.502 12.481 16.198 1.00 0.08 H new ATOM 86 N GLN A 7 -4.349 9.723 12.027 1.00 0.06 N ATOM 87 CA GLN A 7 -5.488 9.373 11.133 1.00 0.06 C ATOM 88 C GLN A 7 -4.998 9.310 9.685 1.00 0.06 C ATOM 89 O GLN A 7 -5.714 9.645 8.762 1.00 0.06 O ATOM 90 CB GLN A 7 -6.580 10.436 11.257 1.00 0.06 C ATOM 91 CG GLN A 7 -7.922 9.759 11.537 1.00 0.06 C ATOM 92 CD GLN A 7 -9.014 10.822 11.665 1.00 0.06 C ATOM 93 OE1 GLN A 7 -10.072 10.696 11.081 1.00 0.06 O ATOM 94 NE2 GLN A 7 -8.801 11.873 12.408 1.00 0.07 N ATOM 0 H GLN A 7 -3.525 10.095 11.554 1.00 0.06 H new ATOM 0 HA GLN A 7 -5.892 8.403 11.422 1.00 0.06 H new ATOM 0 HB2 GLN A 7 -6.336 11.131 12.061 1.00 0.06 H new ATOM 0 HB3 GLN A 7 -6.640 11.020 10.338 1.00 0.06 H new ATOM 0 HG2 GLN A 7 -8.167 9.066 10.732 1.00 0.06 H new ATOM 0 HG3 GLN A 7 -7.861 9.173 12.454 1.00 0.06 H new ATOM 0 HE21 GLN A 7 -7.913 11.979 12.899 1.00 0.07 H new ATOM 0 HE22 GLN A 7 -9.522 12.588 12.498 1.00 0.07 H new ATOM 103 N SER A 8 -3.783 8.882 9.478 1.00 0.06 N ATOM 104 CA SER A 8 -3.248 8.797 8.090 1.00 0.06 C ATOM 105 C SER A 8 -3.326 7.350 7.601 1.00 0.05 C ATOM 106 O SER A 8 -2.505 6.901 6.826 1.00 0.06 O ATOM 107 CB SER A 8 -1.791 9.262 8.076 1.00 0.06 C ATOM 108 OG SER A 8 -1.586 10.193 9.131 1.00 0.06 O ATOM 0 H SER A 8 -3.137 8.587 10.211 1.00 0.06 H new ATOM 0 HA SER A 8 -3.839 9.435 7.433 1.00 0.06 H new ATOM 0 HB2 SER A 8 -1.123 8.408 8.194 1.00 0.06 H new ATOM 0 HB3 SER A 8 -1.553 9.723 7.117 1.00 0.06 H new ATOM 0 HG SER A 8 -0.653 10.492 9.127 1.00 0.06 H new ATOM 114 N ASN A 9 -4.308 6.616 8.048 1.00 0.05 N ATOM 115 CA ASN A 9 -4.439 5.198 7.609 1.00 0.05 C ATOM 116 C ASN A 9 -5.807 4.993 6.955 1.00 0.04 C ATOM 117 O ASN A 9 -5.909 4.505 5.847 1.00 0.04 O ATOM 118 CB ASN A 9 -4.308 4.275 8.822 1.00 0.05 C ATOM 119 CG ASN A 9 -3.130 4.731 9.685 1.00 0.05 C ATOM 120 OD1 ASN A 9 -1.992 4.663 9.265 1.00 0.06 O ATOM 121 ND2 ASN A 9 -3.357 5.195 10.883 1.00 0.05 N ATOM 0 H ASN A 9 -5.025 6.937 8.698 1.00 0.05 H new ATOM 0 HA ASN A 9 -3.654 4.965 6.890 1.00 0.05 H new ATOM 0 HB2 ASN A 9 -5.228 4.291 9.406 1.00 0.05 H new ATOM 0 HB3 ASN A 9 -4.156 3.246 8.495 1.00 0.05 H new ATOM 0 HD21 ASN A 9 -2.579 5.501 11.467 1.00 0.05 H new ATOM 0 HD22 ASN A 9 -4.313 5.252 11.235 1.00 0.05 H new ATOM 128 N ARG A 10 -6.861 5.362 7.632 1.00 0.04 N ATOM 129 CA ARG A 10 -8.219 5.188 7.045 1.00 0.04 C ATOM 130 C ARG A 10 -8.298 5.954 5.725 1.00 0.04 C ATOM 131 O ARG A 10 -8.785 5.452 4.731 1.00 0.04 O ATOM 132 CB ARG A 10 -9.269 5.733 8.015 1.00 0.04 C ATOM 133 CG ARG A 10 -10.562 4.928 7.871 1.00 0.04 C ATOM 134 CD ARG A 10 -11.596 5.755 7.104 1.00 0.04 C ATOM 135 NE ARG A 10 -12.127 6.831 7.989 1.00 0.05 N ATOM 136 CZ ARG A 10 -13.195 7.494 7.641 1.00 0.05 C ATOM 137 NH1 ARG A 10 -13.159 8.297 6.613 1.00 0.05 N ATOM 138 NH2 ARG A 10 -14.300 7.354 8.321 1.00 0.06 N ATOM 0 H ARG A 10 -6.840 5.775 8.564 1.00 0.04 H new ATOM 0 HA ARG A 10 -8.408 4.129 6.866 1.00 0.04 H new ATOM 0 HB2 ARG A 10 -8.901 5.670 9.039 1.00 0.04 H new ATOM 0 HB3 ARG A 10 -9.459 6.786 7.808 1.00 0.04 H new ATOM 0 HG2 ARG A 10 -10.365 3.994 7.345 1.00 0.04 H new ATOM 0 HG3 ARG A 10 -10.950 4.664 8.855 1.00 0.04 H new ATOM 0 HD2 ARG A 10 -11.141 6.192 6.215 1.00 0.04 H new ATOM 0 HD3 ARG A 10 -12.410 5.115 6.764 1.00 0.04 H new ATOM 0 HE ARG A 10 -11.655 7.049 8.867 1.00 0.05 H new ATOM 0 HH11 ARG A 10 -12.295 8.406 6.081 1.00 0.05 H new ATOM 0 HH12 ARG A 10 -13.994 8.815 6.341 1.00 0.05 H new ATOM 0 HH21 ARG A 10 -14.328 6.726 9.124 1.00 0.06 H new ATOM 0 HH22 ARG A 10 -15.135 7.872 8.049 1.00 0.06 H new ATOM 152 N GLU A 11 -7.819 7.167 5.706 1.00 0.05 N ATOM 153 CA GLU A 11 -7.864 7.966 4.448 1.00 0.05 C ATOM 154 C GLU A 11 -6.581 7.742 3.635 1.00 0.05 C ATOM 155 O GLU A 11 -6.323 8.438 2.672 1.00 0.06 O ATOM 156 CB GLU A 11 -7.993 9.450 4.798 1.00 0.05 C ATOM 157 CG GLU A 11 -8.550 10.216 3.597 1.00 0.06 C ATOM 158 CD GLU A 11 -8.338 11.716 3.806 1.00 0.06 C ATOM 159 OE1 GLU A 11 -7.315 12.077 4.364 1.00 0.06 O ATOM 160 OE2 GLU A 11 -9.202 12.478 3.406 1.00 0.06 O ATOM 0 H GLU A 11 -7.399 7.640 6.506 1.00 0.05 H new ATOM 0 HA GLU A 11 -8.721 7.650 3.853 1.00 0.05 H new ATOM 0 HB2 GLU A 11 -8.651 9.575 5.658 1.00 0.05 H new ATOM 0 HB3 GLU A 11 -7.020 9.853 5.079 1.00 0.05 H new ATOM 0 HG2 GLU A 11 -8.053 9.892 2.683 1.00 0.06 H new ATOM 0 HG3 GLU A 11 -9.612 10.001 3.476 1.00 0.06 H new ATOM 167 N LEU A 12 -5.776 6.778 3.997 1.00 0.05 N ATOM 168 CA LEU A 12 -4.533 6.529 3.221 1.00 0.06 C ATOM 169 C LEU A 12 -4.894 5.655 2.022 1.00 0.06 C ATOM 170 O LEU A 12 -4.435 5.866 0.914 1.00 0.07 O ATOM 171 CB LEU A 12 -3.515 5.805 4.107 1.00 0.06 C ATOM 172 CG LEU A 12 -2.113 6.352 3.831 1.00 0.07 C ATOM 173 CD1 LEU A 12 -1.080 5.520 4.592 1.00 0.07 C ATOM 174 CD2 LEU A 12 -1.822 6.276 2.331 1.00 0.08 C ATOM 0 H LEU A 12 -5.927 6.157 4.792 1.00 0.05 H new ATOM 0 HA LEU A 12 -4.096 7.469 2.883 1.00 0.06 H new ATOM 0 HB2 LEU A 12 -3.770 5.943 5.158 1.00 0.06 H new ATOM 0 HB3 LEU A 12 -3.543 4.733 3.910 1.00 0.06 H new ATOM 0 HG LEU A 12 -2.058 7.389 4.161 1.00 0.07 H new ATOM 0 HD11 LEU A 12 -0.082 5.910 4.395 1.00 0.07 H new ATOM 0 HD12 LEU A 12 -1.286 5.573 5.661 1.00 0.07 H new ATOM 0 HD13 LEU A 12 -1.135 4.482 4.263 1.00 0.07 H new ATOM 0 HD21 LEU A 12 -0.823 6.666 2.134 1.00 0.08 H new ATOM 0 HD22 LEU A 12 -1.878 5.239 2.002 1.00 0.08 H new ATOM 0 HD23 LEU A 12 -2.557 6.870 1.787 1.00 0.08 H new ATOM 186 N VAL A 13 -5.728 4.676 2.244 1.00 0.05 N ATOM 187 CA VAL A 13 -6.145 3.779 1.135 1.00 0.05 C ATOM 188 C VAL A 13 -7.138 4.522 0.240 1.00 0.06 C ATOM 189 O VAL A 13 -7.207 4.290 -0.951 1.00 0.06 O ATOM 190 CB VAL A 13 -6.811 2.530 1.718 1.00 0.05 C ATOM 191 CG1 VAL A 13 -8.313 2.774 1.872 1.00 0.05 C ATOM 192 CG2 VAL A 13 -6.581 1.345 0.778 1.00 0.05 C ATOM 0 H VAL A 13 -6.139 4.460 3.152 1.00 0.05 H new ATOM 0 HA VAL A 13 -5.275 3.483 0.549 1.00 0.05 H new ATOM 0 HB VAL A 13 -6.378 2.311 2.694 1.00 0.05 H new ATOM 0 HG11 VAL A 13 -8.786 1.884 2.287 1.00 0.05 H new ATOM 0 HG12 VAL A 13 -8.478 3.618 2.542 1.00 0.05 H new ATOM 0 HG13 VAL A 13 -8.748 2.994 0.897 1.00 0.05 H new ATOM 0 HG21 VAL A 13 -7.055 0.455 1.192 1.00 0.05 H new ATOM 0 HG22 VAL A 13 -7.013 1.566 -0.198 1.00 0.05 H new ATOM 0 HG23 VAL A 13 -5.511 1.169 0.669 1.00 0.05 H new ATOM 202 N VAL A 14 -7.908 5.419 0.801 1.00 0.06 N ATOM 203 CA VAL A 14 -8.889 6.172 -0.029 1.00 0.06 C ATOM 204 C VAL A 14 -8.147 7.213 -0.862 1.00 0.06 C ATOM 205 O VAL A 14 -8.505 7.491 -1.990 1.00 0.07 O ATOM 206 CB VAL A 14 -9.914 6.872 0.863 1.00 0.06 C ATOM 207 CG1 VAL A 14 -9.294 8.113 1.489 1.00 0.06 C ATOM 208 CG2 VAL A 14 -11.106 7.298 0.015 1.00 0.06 C ATOM 0 H VAL A 14 -7.899 5.660 1.792 1.00 0.06 H new ATOM 0 HA VAL A 14 -9.411 5.474 -0.683 1.00 0.06 H new ATOM 0 HB VAL A 14 -10.232 6.186 1.648 1.00 0.06 H new ATOM 0 HG11 VAL A 14 -10.030 8.607 2.123 1.00 0.06 H new ATOM 0 HG12 VAL A 14 -8.432 7.825 2.090 1.00 0.06 H new ATOM 0 HG13 VAL A 14 -8.976 8.797 0.702 1.00 0.06 H new ATOM 0 HG21 VAL A 14 -11.841 7.798 0.646 1.00 0.06 H new ATOM 0 HG22 VAL A 14 -10.772 7.982 -0.765 1.00 0.06 H new ATOM 0 HG23 VAL A 14 -11.559 6.419 -0.443 1.00 0.06 H new ATOM 218 N ASP A 15 -7.112 7.792 -0.318 1.00 0.07 N ATOM 219 CA ASP A 15 -6.351 8.811 -1.086 1.00 0.07 C ATOM 220 C ASP A 15 -5.737 8.143 -2.317 1.00 0.08 C ATOM 221 O ASP A 15 -5.908 8.596 -3.432 1.00 0.08 O ATOM 222 CB ASP A 15 -5.241 9.394 -0.208 1.00 0.07 C ATOM 223 CG ASP A 15 -4.818 10.757 -0.759 1.00 0.09 C ATOM 224 OD1 ASP A 15 -5.081 11.012 -1.923 1.00 0.09 O ATOM 225 OD2 ASP A 15 -4.238 11.524 -0.007 1.00 0.09 O ATOM 0 H ASP A 15 -6.763 7.603 0.622 1.00 0.07 H new ATOM 0 HA ASP A 15 -7.018 9.616 -1.396 1.00 0.07 H new ATOM 0 HB2 ASP A 15 -5.592 9.498 0.819 1.00 0.07 H new ATOM 0 HB3 ASP A 15 -4.387 8.717 -0.186 1.00 0.07 H new ATOM 230 N PHE A 16 -5.025 7.065 -2.125 1.00 0.08 N ATOM 231 CA PHE A 16 -4.408 6.369 -3.288 1.00 0.08 C ATOM 232 C PHE A 16 -5.515 5.746 -4.141 1.00 0.08 C ATOM 233 O PHE A 16 -5.437 5.714 -5.354 1.00 0.09 O ATOM 234 CB PHE A 16 -3.466 5.270 -2.790 1.00 0.08 C ATOM 235 CG PHE A 16 -2.812 4.594 -3.971 1.00 0.09 C ATOM 236 CD1 PHE A 16 -2.060 5.347 -4.881 1.00 0.09 C ATOM 237 CD2 PHE A 16 -2.957 3.213 -4.156 1.00 0.09 C ATOM 238 CE1 PHE A 16 -1.454 4.720 -5.976 1.00 0.10 C ATOM 239 CE2 PHE A 16 -2.350 2.587 -5.251 1.00 0.09 C ATOM 240 CZ PHE A 16 -1.599 3.340 -6.161 1.00 0.10 C ATOM 0 H PHE A 16 -4.845 6.638 -1.216 1.00 0.08 H new ATOM 0 HA PHE A 16 -3.840 7.084 -3.884 1.00 0.08 H new ATOM 0 HB2 PHE A 16 -2.706 5.697 -2.135 1.00 0.08 H new ATOM 0 HB3 PHE A 16 -4.021 4.540 -2.201 1.00 0.08 H new ATOM 0 HD1 PHE A 16 -1.948 6.412 -4.738 1.00 0.09 H new ATOM 0 HD2 PHE A 16 -3.537 2.632 -3.454 1.00 0.09 H new ATOM 0 HE1 PHE A 16 -0.875 5.301 -6.678 1.00 0.10 H new ATOM 0 HE2 PHE A 16 -2.461 1.522 -5.394 1.00 0.09 H new ATOM 0 HZ PHE A 16 -1.131 2.856 -7.006 1.00 0.10 H new ATOM 250 N LEU A 17 -6.549 5.254 -3.515 1.00 0.08 N ATOM 251 CA LEU A 17 -7.663 4.636 -4.285 1.00 0.08 C ATOM 252 C LEU A 17 -8.201 5.648 -5.297 1.00 0.09 C ATOM 253 O LEU A 17 -8.216 5.403 -6.485 1.00 0.09 O ATOM 254 CB LEU A 17 -8.788 4.240 -3.326 1.00 0.07 C ATOM 255 CG LEU A 17 -8.580 2.802 -2.848 1.00 0.07 C ATOM 256 CD1 LEU A 17 -9.336 2.585 -1.534 1.00 0.06 C ATOM 257 CD2 LEU A 17 -9.112 1.834 -3.907 1.00 0.08 C ATOM 0 H LEU A 17 -6.670 5.254 -2.502 1.00 0.08 H new ATOM 0 HA LEU A 17 -7.297 3.751 -4.806 1.00 0.08 H new ATOM 0 HB2 LEU A 17 -8.806 4.918 -2.472 1.00 0.07 H new ATOM 0 HB3 LEU A 17 -9.753 4.331 -3.825 1.00 0.07 H new ATOM 0 HG LEU A 17 -7.517 2.622 -2.689 1.00 0.07 H new ATOM 0 HD11 LEU A 17 -9.188 1.560 -1.194 1.00 0.06 H new ATOM 0 HD12 LEU A 17 -8.960 3.276 -0.779 1.00 0.06 H new ATOM 0 HD13 LEU A 17 -10.399 2.764 -1.692 1.00 0.06 H new ATOM 0 HD21 LEU A 17 -8.965 0.808 -3.569 1.00 0.08 H new ATOM 0 HD22 LEU A 17 -10.175 2.015 -4.064 1.00 0.08 H new ATOM 0 HD23 LEU A 17 -8.575 1.988 -4.843 1.00 0.08 H new ATOM 269 N SER A 18 -8.645 6.785 -4.832 1.00 0.09 N ATOM 270 CA SER A 18 -9.184 7.813 -5.765 1.00 0.09 C ATOM 271 C SER A 18 -8.139 8.131 -6.836 1.00 0.10 C ATOM 272 O SER A 18 -8.463 8.349 -7.986 1.00 0.10 O ATOM 273 CB SER A 18 -9.518 9.085 -4.985 1.00 0.09 C ATOM 274 OG SER A 18 -10.271 9.960 -5.814 1.00 0.10 O ATOM 0 H SER A 18 -8.657 7.045 -3.846 1.00 0.09 H new ATOM 0 HA SER A 18 -10.087 7.431 -6.242 1.00 0.09 H new ATOM 0 HB2 SER A 18 -10.086 8.837 -4.088 1.00 0.09 H new ATOM 0 HB3 SER A 18 -8.602 9.575 -4.657 1.00 0.09 H new ATOM 0 HG SER A 18 -10.488 10.776 -5.316 1.00 0.10 H new ATOM 280 N TYR A 19 -6.888 8.160 -6.469 1.00 0.10 N ATOM 281 CA TYR A 19 -5.828 8.464 -7.470 1.00 0.10 C ATOM 282 C TYR A 19 -5.914 7.462 -8.623 1.00 0.11 C ATOM 283 O TYR A 19 -5.657 7.790 -9.765 1.00 0.11 O ATOM 284 CB TYR A 19 -4.453 8.362 -6.806 1.00 0.10 C ATOM 285 CG TYR A 19 -3.377 8.632 -7.829 1.00 0.11 C ATOM 286 CD1 TYR A 19 -3.200 9.926 -8.335 1.00 0.11 C ATOM 287 CD2 TYR A 19 -2.555 7.589 -8.273 1.00 0.11 C ATOM 288 CE1 TYR A 19 -2.201 10.177 -9.284 1.00 0.12 C ATOM 289 CE2 TYR A 19 -1.557 7.840 -9.222 1.00 0.12 C ATOM 290 CZ TYR A 19 -1.380 9.133 -9.727 1.00 0.12 C ATOM 291 OH TYR A 19 -0.396 9.380 -10.663 1.00 0.13 O ATOM 0 H TYR A 19 -6.554 7.987 -5.521 1.00 0.10 H new ATOM 0 HA TYR A 19 -5.970 9.474 -7.854 1.00 0.10 H new ATOM 0 HB2 TYR A 19 -4.379 9.078 -5.988 1.00 0.10 H new ATOM 0 HB3 TYR A 19 -4.319 7.370 -6.375 1.00 0.10 H new ATOM 0 HD1 TYR A 19 -3.834 10.731 -7.993 1.00 0.11 H new ATOM 0 HD2 TYR A 19 -2.691 6.591 -7.883 1.00 0.11 H new ATOM 0 HE1 TYR A 19 -2.064 11.175 -9.674 1.00 0.12 H new ATOM 0 HE2 TYR A 19 -0.923 7.035 -9.565 1.00 0.12 H new ATOM 0 HH TYR A 19 0.084 8.549 -10.861 1.00 0.13 H new ATOM 301 N LYS A 20 -6.271 6.240 -8.334 1.00 0.11 N ATOM 302 CA LYS A 20 -6.373 5.216 -9.414 1.00 0.11 C ATOM 303 C LYS A 20 -7.794 5.203 -9.985 1.00 0.11 C ATOM 304 O LYS A 20 -8.008 4.863 -11.132 1.00 0.12 O ATOM 305 CB LYS A 20 -6.044 3.838 -8.836 1.00 0.11 C ATOM 306 CG LYS A 20 -5.018 3.139 -9.731 1.00 0.11 C ATOM 307 CD LYS A 20 -3.617 3.324 -9.143 1.00 0.11 C ATOM 308 CE LYS A 20 -2.686 2.241 -9.692 1.00 0.12 C ATOM 309 NZ LYS A 20 -1.837 2.818 -10.773 1.00 0.13 N ATOM 0 H LYS A 20 -6.497 5.906 -7.397 1.00 0.11 H new ATOM 0 HA LYS A 20 -5.669 5.459 -10.210 1.00 0.11 H new ATOM 0 HB2 LYS A 20 -5.650 3.941 -7.825 1.00 0.11 H new ATOM 0 HB3 LYS A 20 -6.950 3.236 -8.765 1.00 0.11 H new ATOM 0 HG2 LYS A 20 -5.253 2.078 -9.811 1.00 0.11 H new ATOM 0 HG3 LYS A 20 -5.058 3.552 -10.739 1.00 0.11 H new ATOM 0 HD2 LYS A 20 -3.232 4.312 -9.396 1.00 0.11 H new ATOM 0 HD3 LYS A 20 -3.657 3.267 -8.055 1.00 0.11 H new ATOM 0 HE2 LYS A 20 -2.058 1.847 -8.893 1.00 0.12 H new ATOM 0 HE3 LYS A 20 -3.270 1.406 -10.080 1.00 0.12 H new ATOM 0 HZ1 LYS A 20 -1.204 2.083 -11.147 1.00 0.13 H new ATOM 0 HZ2 LYS A 20 -2.444 3.174 -11.539 1.00 0.13 H new ATOM 0 HZ3 LYS A 20 -1.270 3.600 -10.389 1.00 0.13 H new ATOM 323 N LEU A 21 -8.769 5.566 -9.195 1.00 0.11 N ATOM 324 CA LEU A 21 -10.174 5.570 -9.695 1.00 0.11 C ATOM 325 C LEU A 21 -10.372 6.733 -10.669 1.00 0.12 C ATOM 326 O LEU A 21 -10.897 6.563 -11.752 1.00 0.13 O ATOM 327 CB LEU A 21 -11.133 5.722 -8.513 1.00 0.10 C ATOM 328 CG LEU A 21 -11.137 4.432 -7.692 1.00 0.10 C ATOM 329 CD1 LEU A 21 -11.848 4.673 -6.361 1.00 0.09 C ATOM 330 CD2 LEU A 21 -11.870 3.339 -8.470 1.00 0.10 C ATOM 0 H LEU A 21 -8.653 5.860 -8.225 1.00 0.11 H new ATOM 0 HA LEU A 21 -10.377 4.632 -10.211 1.00 0.11 H new ATOM 0 HB2 LEU A 21 -10.828 6.562 -7.889 1.00 0.10 H new ATOM 0 HB3 LEU A 21 -12.139 5.940 -8.872 1.00 0.10 H new ATOM 0 HG LEU A 21 -10.110 4.120 -7.501 1.00 0.10 H new ATOM 0 HD11 LEU A 21 -11.850 3.752 -5.777 1.00 0.09 H new ATOM 0 HD12 LEU A 21 -11.327 5.453 -5.806 1.00 0.09 H new ATOM 0 HD13 LEU A 21 -12.875 4.986 -6.549 1.00 0.09 H new ATOM 0 HD21 LEU A 21 -11.874 2.418 -7.887 1.00 0.10 H new ATOM 0 HD22 LEU A 21 -12.896 3.653 -8.660 1.00 0.10 H new ATOM 0 HD23 LEU A 21 -11.363 3.165 -9.419 1.00 0.10 H new ATOM 342 N SER A 22 -9.958 7.913 -10.294 1.00 0.12 N ATOM 343 CA SER A 22 -10.124 9.085 -11.201 1.00 0.12 C ATOM 344 C SER A 22 -9.498 8.770 -12.563 1.00 0.13 C ATOM 345 O SER A 22 -9.902 9.300 -13.579 1.00 0.14 O ATOM 346 CB SER A 22 -9.432 10.305 -10.592 1.00 0.12 C ATOM 347 OG SER A 22 -9.597 11.420 -11.458 1.00 0.13 O ATOM 0 H SER A 22 -9.512 8.116 -9.399 1.00 0.12 H new ATOM 0 HA SER A 22 -11.186 9.296 -11.329 1.00 0.12 H new ATOM 0 HB2 SER A 22 -9.855 10.526 -9.612 1.00 0.12 H new ATOM 0 HB3 SER A 22 -8.372 10.099 -10.443 1.00 0.12 H new ATOM 0 HG SER A 22 -9.156 12.204 -11.070 1.00 0.13 H new ATOM 353 N GLN A 23 -8.516 7.910 -12.592 1.00 0.13 N ATOM 354 CA GLN A 23 -7.869 7.562 -13.888 1.00 0.14 C ATOM 355 C GLN A 23 -8.871 6.810 -14.766 1.00 0.14 C ATOM 356 O GLN A 23 -8.835 6.891 -15.978 1.00 0.15 O ATOM 357 CB GLN A 23 -6.652 6.671 -13.626 1.00 0.14 C ATOM 358 CG GLN A 23 -5.385 7.379 -14.107 1.00 0.14 C ATOM 359 CD GLN A 23 -4.396 6.344 -14.646 1.00 0.14 C ATOM 360 OE1 GLN A 23 -4.419 6.016 -15.816 1.00 0.15 O ATOM 361 NE2 GLN A 23 -3.522 5.810 -13.837 1.00 0.14 N ATOM 0 H GLN A 23 -8.135 7.434 -11.774 1.00 0.13 H new ATOM 0 HA GLN A 23 -7.550 8.473 -14.395 1.00 0.14 H new ATOM 0 HB2 GLN A 23 -6.574 6.448 -12.562 1.00 0.14 H new ATOM 0 HB3 GLN A 23 -6.768 5.719 -14.144 1.00 0.14 H new ATOM 0 HG2 GLN A 23 -5.632 8.101 -14.885 1.00 0.14 H new ATOM 0 HG3 GLN A 23 -4.933 7.937 -13.287 1.00 0.14 H new ATOM 0 HE21 GLN A 23 -3.502 6.085 -12.855 1.00 0.14 H new ATOM 0 HE22 GLN A 23 -2.859 5.118 -14.187 1.00 0.14 H new ATOM 370 N LYS A 24 -9.767 6.077 -14.161 1.00 0.14 N ATOM 371 CA LYS A 24 -10.773 5.319 -14.956 1.00 0.14 C ATOM 372 C LYS A 24 -12.034 6.168 -15.133 1.00 0.14 C ATOM 373 O LYS A 24 -12.759 6.026 -16.097 1.00 0.15 O ATOM 374 CB LYS A 24 -11.130 4.025 -14.221 1.00 0.14 C ATOM 375 CG LYS A 24 -10.050 2.974 -14.483 1.00 0.14 C ATOM 376 CD LYS A 24 -10.579 1.935 -15.474 1.00 0.14 C ATOM 377 CE LYS A 24 -9.728 0.666 -15.386 1.00 0.14 C ATOM 378 NZ LYS A 24 -8.777 0.626 -16.532 1.00 0.15 N ATOM 0 H LYS A 24 -9.845 5.971 -13.150 1.00 0.14 H new ATOM 0 HA LYS A 24 -10.357 5.081 -15.935 1.00 0.14 H new ATOM 0 HB2 LYS A 24 -11.216 4.214 -13.151 1.00 0.14 H new ATOM 0 HB3 LYS A 24 -12.099 3.658 -14.559 1.00 0.14 H new ATOM 0 HG2 LYS A 24 -9.154 3.449 -14.882 1.00 0.14 H new ATOM 0 HG3 LYS A 24 -9.765 2.489 -13.549 1.00 0.14 H new ATOM 0 HD2 LYS A 24 -11.621 1.703 -15.253 1.00 0.14 H new ATOM 0 HD3 LYS A 24 -10.550 2.336 -16.487 1.00 0.14 H new ATOM 0 HE2 LYS A 24 -9.180 0.647 -14.444 1.00 0.14 H new ATOM 0 HE3 LYS A 24 -10.368 -0.216 -15.400 1.00 0.14 H new ATOM 0 HZ1 LYS A 24 -8.198 -0.236 -16.473 1.00 0.15 H new ATOM 0 HZ2 LYS A 24 -9.310 0.625 -17.425 1.00 0.15 H new ATOM 0 HZ3 LYS A 24 -8.158 1.461 -16.499 1.00 0.15 H new ATOM 392 N GLY A 25 -12.304 7.051 -14.208 1.00 0.14 N ATOM 393 CA GLY A 25 -13.520 7.905 -14.326 1.00 0.14 C ATOM 394 C GLY A 25 -14.603 7.377 -13.384 1.00 0.14 C ATOM 395 O GLY A 25 -15.781 7.463 -13.666 1.00 0.14 O ATOM 0 H GLY A 25 -11.735 7.217 -13.378 1.00 0.14 H new ATOM 0 HA2 GLY A 25 -13.278 8.938 -14.077 1.00 0.14 H new ATOM 0 HA3 GLY A 25 -13.883 7.901 -15.354 1.00 0.14 H new ATOM 399 N TYR A 26 -14.211 6.829 -12.266 1.00 0.13 N ATOM 400 CA TYR A 26 -15.215 6.293 -11.305 1.00 0.12 C ATOM 401 C TYR A 26 -15.358 7.246 -10.115 1.00 0.12 C ATOM 402 O TYR A 26 -16.382 7.283 -9.462 1.00 0.12 O ATOM 403 CB TYR A 26 -14.760 4.919 -10.811 1.00 0.12 C ATOM 404 CG TYR A 26 -15.385 3.846 -11.670 1.00 0.12 C ATOM 405 CD1 TYR A 26 -16.699 3.431 -11.426 1.00 0.12 C ATOM 406 CD2 TYR A 26 -14.650 3.269 -12.712 1.00 0.13 C ATOM 407 CE1 TYR A 26 -17.279 2.439 -12.224 1.00 0.13 C ATOM 408 CE2 TYR A 26 -15.230 2.276 -13.511 1.00 0.13 C ATOM 409 CZ TYR A 26 -16.545 1.861 -13.267 1.00 0.13 C ATOM 410 OH TYR A 26 -17.117 0.883 -14.054 1.00 0.14 O ATOM 0 H TYR A 26 -13.238 6.730 -11.977 1.00 0.13 H new ATOM 0 HA TYR A 26 -16.179 6.201 -11.805 1.00 0.12 H new ATOM 0 HB2 TYR A 26 -13.673 4.847 -10.853 1.00 0.12 H new ATOM 0 HB3 TYR A 26 -15.049 4.781 -9.769 1.00 0.12 H new ATOM 0 HD1 TYR A 26 -17.265 3.877 -10.622 1.00 0.12 H new ATOM 0 HD2 TYR A 26 -13.636 3.590 -12.900 1.00 0.13 H new ATOM 0 HE1 TYR A 26 -18.293 2.119 -12.036 1.00 0.13 H new ATOM 0 HE2 TYR A 26 -14.663 1.830 -14.315 1.00 0.13 H new ATOM 0 HH TYR A 26 -16.415 0.307 -14.422 1.00 0.14 H new ATOM 420 N SER A 27 -14.343 8.018 -9.826 1.00 0.12 N ATOM 421 CA SER A 27 -14.431 8.966 -8.677 1.00 0.11 C ATOM 422 C SER A 27 -14.523 8.176 -7.366 1.00 0.10 C ATOM 423 O SER A 27 -14.129 7.029 -7.298 1.00 0.10 O ATOM 424 CB SER A 27 -15.671 9.848 -8.840 1.00 0.12 C ATOM 425 OG SER A 27 -15.310 11.208 -8.631 1.00 0.12 O ATOM 0 H SER A 27 -13.459 8.033 -10.335 1.00 0.12 H new ATOM 0 HA SER A 27 -13.541 9.596 -8.653 1.00 0.11 H new ATOM 0 HB2 SER A 27 -16.094 9.721 -9.837 1.00 0.12 H new ATOM 0 HB3 SER A 27 -16.440 9.550 -8.127 1.00 0.12 H new ATOM 0 HG SER A 27 -16.101 11.776 -8.736 1.00 0.12 H new ATOM 431 N TRP A 28 -15.033 8.778 -6.323 1.00 0.10 N ATOM 432 CA TRP A 28 -15.139 8.053 -5.023 1.00 0.09 C ATOM 433 C TRP A 28 -16.335 8.591 -4.232 1.00 0.09 C ATOM 434 O TRP A 28 -17.110 7.839 -3.677 1.00 0.09 O ATOM 435 CB TRP A 28 -13.846 8.269 -4.226 1.00 0.09 C ATOM 436 CG TRP A 28 -13.946 7.639 -2.867 1.00 0.08 C ATOM 437 CD1 TRP A 28 -14.681 8.114 -1.831 1.00 0.08 C ATOM 438 CD2 TRP A 28 -13.281 6.440 -2.374 1.00 0.08 C ATOM 439 NE1 TRP A 28 -14.513 7.278 -0.742 1.00 0.07 N ATOM 440 CE2 TRP A 28 -13.661 6.232 -1.027 1.00 0.07 C ATOM 441 CE3 TRP A 28 -12.395 5.519 -2.960 1.00 0.08 C ATOM 442 CZ2 TRP A 28 -13.177 5.150 -0.289 1.00 0.06 C ATOM 443 CZ3 TRP A 28 -11.907 4.431 -2.218 1.00 0.07 C ATOM 444 CH2 TRP A 28 -12.297 4.248 -0.887 1.00 0.06 C ATOM 0 H TRP A 28 -15.380 9.737 -6.315 1.00 0.10 H new ATOM 0 HA TRP A 28 -15.284 6.988 -5.203 1.00 0.09 H new ATOM 0 HB2 TRP A 28 -13.003 7.841 -4.769 1.00 0.09 H new ATOM 0 HB3 TRP A 28 -13.651 9.336 -4.124 1.00 0.09 H new ATOM 0 HD1 TRP A 28 -15.297 9.001 -1.853 1.00 0.08 H new ATOM 0 HE1 TRP A 28 -14.964 7.418 0.162 1.00 0.07 H new ATOM 0 HE3 TRP A 28 -12.088 5.649 -3.987 1.00 0.08 H new ATOM 0 HZ2 TRP A 28 -13.482 5.012 0.738 1.00 0.06 H new ATOM 0 HZ3 TRP A 28 -11.226 3.731 -2.678 1.00 0.07 H new ATOM 0 HH2 TRP A 28 -11.917 3.409 -0.323 1.00 0.06 H new ATOM 455 N SER A 29 -16.487 9.886 -4.170 1.00 0.10 N ATOM 456 CA SER A 29 -17.629 10.472 -3.408 1.00 0.10 C ATOM 457 C SER A 29 -18.946 9.847 -3.876 1.00 0.10 C ATOM 458 O SER A 29 -19.894 9.737 -3.123 1.00 0.11 O ATOM 459 CB SER A 29 -17.672 11.982 -3.644 1.00 0.10 C ATOM 460 OG SER A 29 -18.028 12.636 -2.434 1.00 0.10 O ATOM 0 H SER A 29 -15.869 10.565 -4.614 1.00 0.10 H new ATOM 0 HA SER A 29 -17.494 10.268 -2.346 1.00 0.10 H new ATOM 0 HB2 SER A 29 -16.701 12.335 -3.990 1.00 0.10 H new ATOM 0 HB3 SER A 29 -18.394 12.219 -4.425 1.00 0.10 H new ATOM 0 HG SER A 29 -18.055 13.605 -2.581 1.00 0.10 H new ATOM 466 N GLN A 30 -19.013 9.438 -5.112 1.00 0.11 N ATOM 467 CA GLN A 30 -20.269 8.823 -5.630 1.00 0.11 C ATOM 468 C GLN A 30 -20.294 7.312 -5.343 1.00 0.11 C ATOM 469 O GLN A 30 -21.290 6.652 -5.565 1.00 0.11 O ATOM 470 CB GLN A 30 -20.346 9.054 -7.141 1.00 0.12 C ATOM 471 CG GLN A 30 -21.564 8.325 -7.710 1.00 0.12 C ATOM 472 CD GLN A 30 -21.961 8.959 -9.044 1.00 0.13 C ATOM 473 OE1 GLN A 30 -22.068 8.279 -10.045 1.00 0.13 O ATOM 474 NE2 GLN A 30 -22.185 10.244 -9.101 1.00 0.14 N ATOM 0 H GLN A 30 -18.252 9.503 -5.788 1.00 0.11 H new ATOM 0 HA GLN A 30 -21.122 9.284 -5.132 1.00 0.11 H new ATOM 0 HB2 GLN A 30 -20.416 10.121 -7.353 1.00 0.12 H new ATOM 0 HB3 GLN A 30 -19.436 8.693 -7.621 1.00 0.12 H new ATOM 0 HG2 GLN A 30 -21.336 7.269 -7.851 1.00 0.12 H new ATOM 0 HG3 GLN A 30 -22.395 8.380 -7.007 1.00 0.12 H new ATOM 0 HE21 GLN A 30 -22.095 10.815 -8.261 1.00 0.14 H new ATOM 0 HE22 GLN A 30 -22.450 10.677 -9.986 1.00 0.14 H new ATOM 483 N PHE A 31 -19.216 6.751 -4.857 1.00 0.10 N ATOM 484 CA PHE A 31 -19.206 5.286 -4.572 1.00 0.10 C ATOM 485 C PHE A 31 -20.353 4.925 -3.625 1.00 0.10 C ATOM 486 O PHE A 31 -21.325 4.311 -4.020 1.00 0.11 O ATOM 487 CB PHE A 31 -17.876 4.899 -3.921 1.00 0.09 C ATOM 488 CG PHE A 31 -16.833 4.636 -4.986 1.00 0.09 C ATOM 489 CD1 PHE A 31 -16.932 5.245 -6.246 1.00 0.10 C ATOM 490 CD2 PHE A 31 -15.760 3.779 -4.708 1.00 0.09 C ATOM 491 CE1 PHE A 31 -15.961 4.995 -7.221 1.00 0.10 C ATOM 492 CE2 PHE A 31 -14.790 3.531 -5.686 1.00 0.09 C ATOM 493 CZ PHE A 31 -14.890 4.139 -6.941 1.00 0.10 C ATOM 0 H PHE A 31 -18.347 7.242 -4.646 1.00 0.10 H new ATOM 0 HA PHE A 31 -19.330 4.744 -5.510 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -17.539 5.698 -3.261 1.00 0.09 H new ATOM 0 HB3 PHE A 31 -18.009 4.010 -3.304 1.00 0.09 H new ATOM 0 HD1 PHE A 31 -17.758 5.907 -6.463 1.00 0.10 H new ATOM 0 HD2 PHE A 31 -15.681 3.310 -3.739 1.00 0.09 H new ATOM 0 HE1 PHE A 31 -16.038 5.463 -8.191 1.00 0.10 H new ATOM 0 HE2 PHE A 31 -13.964 2.870 -5.471 1.00 0.09 H new ATOM 0 HZ PHE A 31 -14.140 3.948 -7.695 1.00 0.10 H new ATOM 503 N SER A 32 -20.247 5.292 -2.377 1.00 0.10 N ATOM 504 CA SER A 32 -21.331 4.958 -1.410 1.00 0.10 C ATOM 505 C SER A 32 -22.221 6.178 -1.160 1.00 0.10 C ATOM 506 O SER A 32 -22.862 6.281 -0.133 1.00 0.10 O ATOM 507 CB SER A 32 -20.710 4.507 -0.089 1.00 0.09 C ATOM 508 OG SER A 32 -20.450 3.110 -0.146 1.00 0.09 O ATOM 0 H SER A 32 -19.459 5.808 -1.986 1.00 0.10 H new ATOM 0 HA SER A 32 -21.940 4.157 -1.828 1.00 0.10 H new ATOM 0 HB2 SER A 32 -19.785 5.054 0.097 1.00 0.09 H new ATOM 0 HB3 SER A 32 -21.384 4.730 0.738 1.00 0.09 H new ATOM 0 HG SER A 32 -20.050 2.817 0.699 1.00 0.09 H new ATOM 514 N ASP A 33 -22.276 7.103 -2.080 1.00 0.11 N ATOM 515 CA ASP A 33 -23.138 8.297 -1.862 1.00 0.11 C ATOM 516 C ASP A 33 -22.623 9.078 -0.634 1.00 0.11 C ATOM 517 O ASP A 33 -21.476 9.456 -0.600 1.00 0.10 O ATOM 518 CB ASP A 33 -24.588 7.817 -1.687 1.00 0.12 C ATOM 519 CG ASP A 33 -25.549 8.994 -1.879 1.00 0.12 C ATOM 520 OD1 ASP A 33 -25.260 9.842 -2.706 1.00 0.12 O ATOM 521 OD2 ASP A 33 -26.560 9.023 -1.196 1.00 0.12 O ATOM 0 H ASP A 33 -21.767 7.084 -2.964 1.00 0.11 H new ATOM 0 HA ASP A 33 -23.104 8.976 -2.714 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -24.811 7.032 -2.409 1.00 0.12 H new ATOM 0 HB3 ASP A 33 -24.721 7.385 -0.695 1.00 0.12 H new ATOM 526 N VAL A 34 -23.454 9.322 0.357 1.00 0.11 N ATOM 527 CA VAL A 34 -23.054 10.079 1.595 1.00 0.10 C ATOM 528 C VAL A 34 -23.056 11.579 1.308 1.00 0.11 C ATOM 529 O VAL A 34 -22.665 12.030 0.250 1.00 0.11 O ATOM 530 CB VAL A 34 -21.685 9.645 2.183 1.00 0.10 C ATOM 531 CG1 VAL A 34 -21.360 8.191 1.829 1.00 0.09 C ATOM 532 CG2 VAL A 34 -20.548 10.568 1.705 1.00 0.09 C ATOM 0 H VAL A 34 -24.427 9.017 0.359 1.00 0.11 H new ATOM 0 HA VAL A 34 -23.796 9.838 2.357 1.00 0.10 H new ATOM 0 HB VAL A 34 -21.765 9.728 3.267 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -20.395 7.920 2.256 1.00 0.09 H new ATOM 0 HG12 VAL A 34 -22.133 7.537 2.233 1.00 0.09 H new ATOM 0 HG13 VAL A 34 -21.321 8.080 0.745 1.00 0.09 H new ATOM 0 HG21 VAL A 34 -19.604 10.235 2.136 1.00 0.09 H new ATOM 0 HG22 VAL A 34 -20.483 10.532 0.618 1.00 0.09 H new ATOM 0 HG23 VAL A 34 -20.751 11.591 2.023 1.00 0.09 H new ATOM 542 N GLU A 35 -23.508 12.347 2.257 1.00 0.11 N ATOM 543 CA GLU A 35 -23.561 13.827 2.082 1.00 0.11 C ATOM 544 C GLU A 35 -22.200 14.351 1.621 1.00 0.11 C ATOM 545 O GLU A 35 -21.176 13.741 1.853 1.00 0.11 O ATOM 546 CB GLU A 35 -23.928 14.480 3.416 1.00 0.12 C ATOM 547 CG GLU A 35 -25.290 15.166 3.293 1.00 0.12 C ATOM 548 CD GLU A 35 -25.492 16.115 4.475 1.00 0.13 C ATOM 549 OE1 GLU A 35 -25.077 17.257 4.370 1.00 0.13 O ATOM 550 OE2 GLU A 35 -26.059 15.683 5.466 1.00 0.13 O ATOM 0 H GLU A 35 -23.847 12.010 3.158 1.00 0.11 H new ATOM 0 HA GLU A 35 -24.311 14.071 1.329 1.00 0.11 H new ATOM 0 HB2 GLU A 35 -23.958 13.728 4.205 1.00 0.12 H new ATOM 0 HB3 GLU A 35 -23.167 15.208 3.698 1.00 0.12 H new ATOM 0 HG2 GLU A 35 -25.347 15.719 2.355 1.00 0.12 H new ATOM 0 HG3 GLU A 35 -26.084 14.420 3.272 1.00 0.12 H new ATOM 557 N GLU A 36 -22.188 15.483 0.972 1.00 0.11 N ATOM 558 CA GLU A 36 -20.901 16.060 0.493 1.00 0.11 C ATOM 559 C GLU A 36 -20.753 17.481 1.042 1.00 0.11 C ATOM 560 O GLU A 36 -21.370 18.409 0.559 1.00 0.12 O ATOM 561 CB GLU A 36 -20.897 16.101 -1.037 1.00 0.12 C ATOM 562 CG GLU A 36 -22.247 16.619 -1.537 1.00 0.12 C ATOM 563 CD GLU A 36 -23.130 15.437 -1.941 1.00 0.13 C ATOM 564 OE1 GLU A 36 -23.146 14.460 -1.212 1.00 0.12 O ATOM 565 OE2 GLU A 36 -23.774 15.530 -2.973 1.00 0.13 O ATOM 0 H GLU A 36 -23.017 16.035 0.752 1.00 0.11 H new ATOM 0 HA GLU A 36 -20.071 15.444 0.840 1.00 0.11 H new ATOM 0 HB2 GLU A 36 -20.094 16.747 -1.392 1.00 0.12 H new ATOM 0 HB3 GLU A 36 -20.706 15.105 -1.438 1.00 0.12 H new ATOM 0 HG2 GLU A 36 -22.736 17.202 -0.757 1.00 0.12 H new ATOM 0 HG3 GLU A 36 -22.101 17.285 -2.388 1.00 0.12 H new ATOM 572 N ASN A 37 -19.940 17.657 2.048 1.00 0.11 N ATOM 573 CA ASN A 37 -19.755 19.017 2.628 1.00 0.11 C ATOM 574 C ASN A 37 -19.354 19.998 1.522 1.00 0.12 C ATOM 575 O ASN A 37 -20.169 20.751 1.026 1.00 0.12 O ATOM 576 CB ASN A 37 -18.658 18.972 3.695 1.00 0.11 C ATOM 577 CG ASN A 37 -18.290 20.397 4.112 1.00 0.11 C ATOM 578 OD1 ASN A 37 -17.304 20.941 3.654 1.00 0.11 O ATOM 579 ND2 ASN A 37 -19.045 21.029 4.968 1.00 0.11 N ATOM 0 H ASN A 37 -19.396 16.918 2.493 1.00 0.11 H new ATOM 0 HA ASN A 37 -20.690 19.347 3.081 1.00 0.11 H new ATOM 0 HB2 ASN A 37 -19.002 18.406 4.561 1.00 0.11 H new ATOM 0 HB3 ASN A 37 -17.779 18.457 3.306 1.00 0.11 H new ATOM 0 HD21 ASN A 37 -18.808 21.979 5.253 1.00 0.11 H new ATOM 0 HD22 ASN A 37 -19.872 20.573 5.352 1.00 0.11 H new ATOM 586 N ARG A 38 -18.108 19.995 1.132 1.00 0.11 N ATOM 587 CA ARG A 38 -17.660 20.927 0.059 1.00 0.11 C ATOM 588 C ARG A 38 -16.142 20.824 -0.103 1.00 0.11 C ATOM 589 O ARG A 38 -15.645 20.301 -1.080 1.00 0.11 O ATOM 590 CB ARG A 38 -18.035 22.362 0.437 1.00 0.12 C ATOM 591 CG ARG A 38 -19.181 22.842 -0.455 1.00 0.13 C ATOM 592 CD ARG A 38 -20.243 23.531 0.404 1.00 0.13 C ATOM 593 NE ARG A 38 -21.530 23.582 -0.344 1.00 0.14 N ATOM 594 CZ ARG A 38 -21.533 23.848 -1.621 1.00 0.14 C ATOM 595 NH1 ARG A 38 -21.527 25.087 -2.030 1.00 0.14 N ATOM 596 NH2 ARG A 38 -21.543 22.875 -2.491 1.00 0.14 N ATOM 0 H ARG A 38 -17.381 19.387 1.510 1.00 0.11 H new ATOM 0 HA ARG A 38 -18.146 20.660 -0.879 1.00 0.11 H new ATOM 0 HB2 ARG A 38 -18.332 22.407 1.485 1.00 0.12 H new ATOM 0 HB3 ARG A 38 -17.172 23.017 0.322 1.00 0.12 H new ATOM 0 HG2 ARG A 38 -18.804 23.533 -1.209 1.00 0.13 H new ATOM 0 HG3 ARG A 38 -19.620 21.998 -0.987 1.00 0.13 H new ATOM 0 HD2 ARG A 38 -20.376 22.990 1.341 1.00 0.13 H new ATOM 0 HD3 ARG A 38 -19.920 24.540 0.662 1.00 0.13 H new ATOM 0 HE ARG A 38 -22.410 23.409 0.143 1.00 0.14 H new ATOM 0 HH11 ARG A 38 -21.520 25.848 -1.351 1.00 0.14 H new ATOM 0 HH12 ARG A 38 -21.529 25.294 -3.029 1.00 0.14 H new ATOM 0 HH21 ARG A 38 -21.548 21.906 -2.172 1.00 0.14 H new ATOM 0 HH22 ARG A 38 -21.545 23.084 -3.489 1.00 0.14 H new ATOM 610 N THR A 39 -15.402 21.320 0.850 1.00 0.11 N ATOM 611 CA THR A 39 -13.917 21.252 0.753 1.00 0.10 C ATOM 612 C THR A 39 -13.443 22.103 -0.426 1.00 0.11 C ATOM 613 O THR A 39 -12.853 21.607 -1.365 1.00 0.11 O ATOM 614 CB THR A 39 -13.486 19.799 0.541 1.00 0.10 C ATOM 615 OG1 THR A 39 -14.409 18.933 1.186 1.00 0.10 O ATOM 616 CG2 THR A 39 -12.090 19.589 1.129 1.00 0.09 C ATOM 0 H THR A 39 -15.762 21.770 1.692 1.00 0.11 H new ATOM 0 HA THR A 39 -13.475 21.631 1.674 1.00 0.10 H new ATOM 0 HB THR A 39 -13.466 19.578 -0.526 1.00 0.10 H new ATOM 0 HG1 THR A 39 -14.135 18.002 1.049 1.00 0.10 H new ATOM 0 HG21 THR A 39 -11.783 18.554 0.978 1.00 0.09 H new ATOM 0 HG22 THR A 39 -11.382 20.253 0.633 1.00 0.09 H new ATOM 0 HG23 THR A 39 -12.108 19.810 2.196 1.00 0.09 H new ATOM 624 N GLU A 40 -13.697 23.383 -0.385 1.00 0.11 N ATOM 625 CA GLU A 40 -13.260 24.265 -1.504 1.00 0.12 C ATOM 626 C GLU A 40 -11.764 24.554 -1.369 1.00 0.11 C ATOM 627 O GLU A 40 -10.968 24.151 -2.193 1.00 0.11 O ATOM 628 CB GLU A 40 -14.042 25.579 -1.452 1.00 0.12 C ATOM 629 CG GLU A 40 -15.522 25.285 -1.201 1.00 0.12 C ATOM 630 CD GLU A 40 -15.904 25.750 0.205 1.00 0.12 C ATOM 631 OE1 GLU A 40 -15.876 26.947 0.440 1.00 0.13 O ATOM 632 OE2 GLU A 40 -16.218 24.902 1.024 1.00 0.12 O ATOM 0 H GLU A 40 -14.188 23.855 0.374 1.00 0.11 H new ATOM 0 HA GLU A 40 -13.449 23.768 -2.456 1.00 0.12 H new ATOM 0 HB2 GLU A 40 -13.648 26.217 -0.661 1.00 0.12 H new ATOM 0 HB3 GLU A 40 -13.923 26.122 -2.389 1.00 0.12 H new ATOM 0 HG2 GLU A 40 -16.136 25.795 -1.943 1.00 0.12 H new ATOM 0 HG3 GLU A 40 -15.715 24.217 -1.307 1.00 0.12 H new ATOM 639 N ALA A 41 -11.375 25.248 -0.334 1.00 0.11 N ATOM 640 CA ALA A 41 -9.930 25.560 -0.148 1.00 0.11 C ATOM 641 C ALA A 41 -9.600 25.569 1.345 1.00 0.11 C ATOM 642 O ALA A 41 -9.219 26.585 1.892 1.00 0.11 O ATOM 643 CB ALA A 41 -9.623 26.934 -0.747 1.00 0.12 C ATOM 0 H ALA A 41 -11.995 25.612 0.390 1.00 0.11 H new ATOM 0 HA ALA A 41 -9.327 24.803 -0.649 1.00 0.11 H new ATOM 0 HB1 ALA A 41 -8.566 27.162 -0.611 1.00 0.12 H new ATOM 0 HB2 ALA A 41 -9.859 26.928 -1.811 1.00 0.12 H new ATOM 0 HB3 ALA A 41 -10.225 27.692 -0.246 1.00 0.12 H new ATOM 649 N PRO A 42 -9.759 24.427 1.957 1.00 0.11 N ATOM 650 CA PRO A 42 -9.493 24.239 3.387 1.00 0.10 C ATOM 651 C PRO A 42 -7.984 24.240 3.652 1.00 0.10 C ATOM 652 O PRO A 42 -7.540 24.590 4.726 1.00 0.10 O ATOM 653 CB PRO A 42 -10.093 22.883 3.742 1.00 0.10 C ATOM 654 CG PRO A 42 -10.076 22.133 2.386 1.00 0.10 C ATOM 655 CD PRO A 42 -10.224 23.201 1.275 1.00 0.11 C ATOM 0 HA PRO A 42 -9.925 25.040 3.987 1.00 0.10 H new ATOM 0 HB2 PRO A 42 -9.503 22.365 4.498 1.00 0.10 H new ATOM 0 HB3 PRO A 42 -11.104 22.979 4.138 1.00 0.10 H new ATOM 0 HG2 PRO A 42 -9.146 21.577 2.265 1.00 0.10 H new ATOM 0 HG3 PRO A 42 -10.889 21.409 2.336 1.00 0.10 H new ATOM 0 HD2 PRO A 42 -9.617 22.966 0.401 1.00 0.11 H new ATOM 0 HD3 PRO A 42 -11.255 23.292 0.932 1.00 0.11 H new ATOM 663 N GLU A 43 -7.199 23.848 2.679 1.00 0.10 N ATOM 664 CA GLU A 43 -5.716 23.818 2.858 1.00 0.10 C ATOM 665 C GLU A 43 -5.348 22.853 3.994 1.00 0.10 C ATOM 666 O GLU A 43 -5.043 21.700 3.759 1.00 0.10 O ATOM 667 CB GLU A 43 -5.196 25.227 3.172 1.00 0.10 C ATOM 668 CG GLU A 43 -3.708 25.156 3.521 1.00 0.11 C ATOM 669 CD GLU A 43 -3.155 26.572 3.692 1.00 0.11 C ATOM 670 OE1 GLU A 43 -3.864 27.507 3.358 1.00 0.11 O ATOM 671 OE2 GLU A 43 -2.033 26.697 4.154 1.00 0.11 O ATOM 0 H GLU A 43 -7.526 23.545 1.761 1.00 0.10 H new ATOM 0 HA GLU A 43 -5.252 23.471 1.935 1.00 0.10 H new ATOM 0 HB2 GLU A 43 -5.348 25.882 2.314 1.00 0.10 H new ATOM 0 HB3 GLU A 43 -5.755 25.656 4.004 1.00 0.10 H new ATOM 0 HG2 GLU A 43 -3.566 24.586 4.439 1.00 0.11 H new ATOM 0 HG3 GLU A 43 -3.164 24.634 2.734 1.00 0.11 H new ATOM 678 N GLY A 44 -5.375 23.304 5.220 1.00 0.10 N ATOM 679 CA GLY A 44 -5.027 22.400 6.353 1.00 0.09 C ATOM 680 C GLY A 44 -3.517 22.155 6.374 1.00 0.09 C ATOM 681 O GLY A 44 -2.799 22.717 7.177 1.00 0.09 O ATOM 0 H GLY A 44 -5.623 24.257 5.485 1.00 0.10 H new ATOM 0 HA2 GLY A 44 -5.346 22.844 7.296 1.00 0.09 H new ATOM 0 HA3 GLY A 44 -5.557 21.453 6.251 1.00 0.09 H new ATOM 685 N THR A 45 -3.029 21.318 5.500 1.00 0.09 N ATOM 686 CA THR A 45 -1.564 21.040 5.476 1.00 0.09 C ATOM 687 C THR A 45 -1.190 20.341 4.165 1.00 0.10 C ATOM 688 O THR A 45 -0.193 20.671 3.556 1.00 0.10 O ATOM 689 CB THR A 45 -1.199 20.134 6.655 1.00 0.09 C ATOM 690 OG1 THR A 45 -1.260 20.881 7.861 1.00 0.10 O ATOM 691 CG2 THR A 45 0.217 19.590 6.461 1.00 0.10 C ATOM 0 H THR A 45 -3.579 20.816 4.803 1.00 0.09 H new ATOM 0 HA THR A 45 -1.018 21.981 5.552 1.00 0.09 H new ATOM 0 HB THR A 45 -1.902 19.303 6.707 1.00 0.09 H new ATOM 0 HG1 THR A 45 -1.517 21.805 7.661 1.00 0.10 H new ATOM 0 HG21 THR A 45 0.477 18.945 7.300 1.00 0.10 H new ATOM 0 HG22 THR A 45 0.263 19.017 5.535 1.00 0.10 H new ATOM 0 HG23 THR A 45 0.922 20.420 6.409 1.00 0.10 H new ATOM 699 N GLU A 46 -1.997 19.383 3.748 1.00 0.09 N ATOM 700 CA GLU A 46 -1.751 18.609 2.478 1.00 0.09 C ATOM 701 C GLU A 46 -0.252 18.442 2.207 1.00 0.10 C ATOM 702 O GLU A 46 0.201 18.532 1.084 1.00 0.10 O ATOM 703 CB GLU A 46 -2.428 19.286 1.269 1.00 0.10 C ATOM 704 CG GLU A 46 -2.377 20.817 1.370 1.00 0.10 C ATOM 705 CD GLU A 46 -0.972 21.314 1.023 1.00 0.11 C ATOM 706 OE1 GLU A 46 -0.373 20.754 0.119 1.00 0.11 O ATOM 707 OE2 GLU A 46 -0.521 22.249 1.663 1.00 0.11 O ATOM 0 H GLU A 46 -2.838 19.099 4.250 1.00 0.09 H new ATOM 0 HA GLU A 46 -2.191 17.622 2.617 1.00 0.09 H new ATOM 0 HB2 GLU A 46 -1.936 18.966 0.351 1.00 0.10 H new ATOM 0 HB3 GLU A 46 -3.466 18.960 1.205 1.00 0.10 H new ATOM 0 HG2 GLU A 46 -3.107 21.260 0.692 1.00 0.10 H new ATOM 0 HG3 GLU A 46 -2.646 21.133 2.378 1.00 0.10 H new ATOM 714 N SER A 47 0.519 18.197 3.231 1.00 0.10 N ATOM 715 CA SER A 47 1.986 18.022 3.037 1.00 0.11 C ATOM 716 C SER A 47 2.365 16.564 3.307 1.00 0.10 C ATOM 717 O SER A 47 3.302 16.280 4.027 1.00 0.09 O ATOM 718 CB SER A 47 2.738 18.931 4.010 1.00 0.11 C ATOM 719 OG SER A 47 4.127 18.637 3.949 1.00 0.11 O ATOM 0 H SER A 47 0.196 18.110 4.195 1.00 0.10 H new ATOM 0 HA SER A 47 2.252 18.284 2.013 1.00 0.11 H new ATOM 0 HB2 SER A 47 2.564 19.977 3.757 1.00 0.11 H new ATOM 0 HB3 SER A 47 2.367 18.783 5.024 1.00 0.11 H new ATOM 0 HG SER A 47 4.287 17.737 4.304 1.00 0.11 H new ATOM 725 N GLU A 48 1.645 15.637 2.736 1.00 0.12 N ATOM 726 CA GLU A 48 1.968 14.199 2.964 1.00 0.11 C ATOM 727 C GLU A 48 2.964 13.723 1.903 1.00 0.12 C ATOM 728 O GLU A 48 2.893 14.108 0.753 1.00 0.14 O ATOM 729 CB GLU A 48 0.686 13.368 2.869 1.00 0.10 C ATOM 730 CG GLU A 48 0.103 13.167 4.270 1.00 0.09 C ATOM 731 CD GLU A 48 -0.950 12.058 4.231 1.00 0.08 C ATOM 732 OE1 GLU A 48 -1.199 11.543 3.154 1.00 0.08 O ATOM 733 OE2 GLU A 48 -1.490 11.744 5.279 1.00 0.07 O ATOM 0 H GLU A 48 0.849 15.812 2.123 1.00 0.12 H new ATOM 0 HA GLU A 48 2.408 14.079 3.954 1.00 0.11 H new ATOM 0 HB2 GLU A 48 -0.040 13.871 2.230 1.00 0.10 H new ATOM 0 HB3 GLU A 48 0.899 12.402 2.410 1.00 0.10 H new ATOM 0 HG2 GLU A 48 0.896 12.906 4.971 1.00 0.09 H new ATOM 0 HG3 GLU A 48 -0.344 14.095 4.626 1.00 0.09 H new ATOM 740 N ALA A 89 3.895 12.889 2.281 1.00 0.12 N ATOM 741 CA ALA A 89 4.896 12.390 1.295 1.00 0.13 C ATOM 742 C ALA A 89 4.631 10.911 0.993 1.00 0.11 C ATOM 743 O ALA A 89 4.946 10.422 -0.074 1.00 0.12 O ATOM 744 CB ALA A 89 6.303 12.548 1.874 1.00 0.16 C ATOM 0 H ALA A 89 4.006 12.532 3.230 1.00 0.12 H new ATOM 0 HA ALA A 89 4.813 12.966 0.374 1.00 0.13 H new ATOM 0 HB1 ALA A 89 7.036 12.183 1.154 1.00 0.16 H new ATOM 0 HB2 ALA A 89 6.494 13.600 2.085 1.00 0.16 H new ATOM 0 HB3 ALA A 89 6.384 11.973 2.796 1.00 0.16 H new ATOM 750 N VAL A 90 4.056 10.196 1.923 1.00 0.10 N ATOM 751 CA VAL A 90 3.774 8.751 1.686 1.00 0.09 C ATOM 752 C VAL A 90 2.962 8.591 0.399 1.00 0.11 C ATOM 753 O VAL A 90 3.257 7.755 -0.432 1.00 0.13 O ATOM 754 CB VAL A 90 2.977 8.186 2.863 1.00 0.08 C ATOM 755 CG1 VAL A 90 2.851 6.671 2.715 1.00 0.09 C ATOM 756 CG2 VAL A 90 3.704 8.504 4.170 1.00 0.10 C ATOM 0 H VAL A 90 3.770 10.550 2.836 1.00 0.10 H new ATOM 0 HA VAL A 90 4.716 8.211 1.591 1.00 0.09 H new ATOM 0 HB VAL A 90 1.984 8.636 2.876 1.00 0.08 H new ATOM 0 HG11 VAL A 90 2.283 6.269 3.554 1.00 0.09 H new ATOM 0 HG12 VAL A 90 2.336 6.438 1.783 1.00 0.09 H new ATOM 0 HG13 VAL A 90 3.845 6.223 2.702 1.00 0.09 H new ATOM 0 HG21 VAL A 90 3.137 8.102 5.009 1.00 0.10 H new ATOM 0 HG22 VAL A 90 4.696 8.053 4.153 1.00 0.10 H new ATOM 0 HG23 VAL A 90 3.798 9.584 4.280 1.00 0.10 H new ATOM 766 N LYS A 91 1.940 9.385 0.228 1.00 0.16 N ATOM 767 CA LYS A 91 1.110 9.277 -1.005 1.00 0.19 C ATOM 768 C LYS A 91 2.008 9.399 -2.238 1.00 0.18 C ATOM 769 O LYS A 91 1.744 8.815 -3.270 1.00 0.19 O ATOM 770 CB LYS A 91 0.069 10.398 -1.019 1.00 0.23 C ATOM 771 CG LYS A 91 -0.779 10.293 -2.288 1.00 1.10 C ATOM 772 CD LYS A 91 -0.423 11.439 -3.237 1.00 1.71 C ATOM 773 CE LYS A 91 -1.507 12.516 -3.165 1.00 2.48 C ATOM 774 NZ LYS A 91 -2.816 11.930 -3.570 1.00 3.03 N ATOM 0 H LYS A 91 1.644 10.104 0.889 1.00 0.16 H new ATOM 0 HA LYS A 91 0.604 8.311 -1.019 1.00 0.19 H new ATOM 0 HB2 LYS A 91 -0.568 10.328 -0.137 1.00 0.23 H new ATOM 0 HB3 LYS A 91 0.564 11.368 -0.979 1.00 0.23 H new ATOM 0 HG2 LYS A 91 -0.604 9.335 -2.777 1.00 1.10 H new ATOM 0 HG3 LYS A 91 -1.838 10.333 -2.034 1.00 1.10 H new ATOM 0 HD2 LYS A 91 0.544 11.863 -2.966 1.00 1.71 H new ATOM 0 HD3 LYS A 91 -0.333 11.066 -4.257 1.00 1.71 H new ATOM 0 HE2 LYS A 91 -1.572 12.914 -2.153 1.00 2.48 H new ATOM 0 HE3 LYS A 91 -1.251 13.349 -3.820 1.00 2.48 H new ATOM 0 HZ1 LYS A 91 -3.330 12.608 -4.168 1.00 3.03 H new ATOM 0 HZ2 LYS A 91 -2.653 11.052 -4.103 1.00 3.03 H new ATOM 0 HZ3 LYS A 91 -3.380 11.721 -2.722 1.00 3.03 H new ATOM 788 N GLN A 92 3.070 10.152 -2.138 1.00 0.18 N ATOM 789 CA GLN A 92 3.983 10.309 -3.304 1.00 0.19 C ATOM 790 C GLN A 92 4.693 8.981 -3.578 1.00 0.17 C ATOM 791 O GLN A 92 4.591 8.422 -4.652 1.00 0.23 O ATOM 792 CB GLN A 92 5.022 11.390 -2.996 1.00 0.22 C ATOM 793 CG GLN A 92 4.312 12.712 -2.696 1.00 0.44 C ATOM 794 CD GLN A 92 4.927 13.829 -3.541 1.00 0.99 C ATOM 795 OE1 GLN A 92 6.085 14.161 -3.380 1.00 1.72 O ATOM 796 NE2 GLN A 92 4.197 14.427 -4.442 1.00 1.72 N ATOM 0 H GLN A 92 3.344 10.664 -1.300 1.00 0.18 H new ATOM 0 HA GLN A 92 3.406 10.600 -4.182 1.00 0.19 H new ATOM 0 HB2 GLN A 92 5.631 11.091 -2.143 1.00 0.22 H new ATOM 0 HB3 GLN A 92 5.697 11.512 -3.843 1.00 0.22 H new ATOM 0 HG2 GLN A 92 3.248 12.622 -2.913 1.00 0.44 H new ATOM 0 HG3 GLN A 92 4.402 12.952 -1.637 1.00 0.44 H new ATOM 0 HE21 GLN A 92 3.225 14.149 -4.578 1.00 1.72 H new ATOM 0 HE22 GLN A 92 4.598 15.173 -5.011 1.00 1.72 H new ATOM 805 N ALA A 93 5.412 8.471 -2.615 1.00 0.17 N ATOM 806 CA ALA A 93 6.126 7.179 -2.821 1.00 0.18 C ATOM 807 C ALA A 93 5.122 6.103 -3.239 1.00 0.17 C ATOM 808 O ALA A 93 5.289 5.442 -4.243 1.00 0.20 O ATOM 809 CB ALA A 93 6.810 6.760 -1.518 1.00 0.23 C ATOM 0 H ALA A 93 5.536 8.893 -1.695 1.00 0.17 H new ATOM 0 HA ALA A 93 6.876 7.299 -3.602 1.00 0.18 H new ATOM 0 HB1 ALA A 93 7.332 5.815 -1.669 1.00 0.23 H new ATOM 0 HB2 ALA A 93 7.525 7.526 -1.220 1.00 0.23 H new ATOM 0 HB3 ALA A 93 6.060 6.640 -0.736 1.00 0.23 H new ATOM 815 N LEU A 94 4.080 5.925 -2.474 1.00 0.14 N ATOM 816 CA LEU A 94 3.057 4.894 -2.820 1.00 0.15 C ATOM 817 C LEU A 94 2.570 5.117 -4.255 1.00 0.17 C ATOM 818 O LEU A 94 2.161 4.194 -4.930 1.00 0.23 O ATOM 819 CB LEU A 94 1.874 5.021 -1.853 1.00 0.13 C ATOM 820 CG LEU A 94 1.731 3.757 -0.992 1.00 0.11 C ATOM 821 CD1 LEU A 94 3.086 3.353 -0.405 1.00 0.17 C ATOM 822 CD2 LEU A 94 0.760 4.044 0.152 1.00 0.09 C ATOM 0 H LEU A 94 3.891 6.451 -1.621 1.00 0.14 H new ATOM 0 HA LEU A 94 3.495 3.899 -2.739 1.00 0.15 H new ATOM 0 HB2 LEU A 94 2.017 5.890 -1.210 1.00 0.13 H new ATOM 0 HB3 LEU A 94 0.956 5.188 -2.416 1.00 0.13 H new ATOM 0 HG LEU A 94 1.358 2.944 -1.615 1.00 0.11 H new ATOM 0 HD11 LEU A 94 2.967 2.456 0.202 1.00 0.17 H new ATOM 0 HD12 LEU A 94 3.788 3.153 -1.214 1.00 0.17 H new ATOM 0 HD13 LEU A 94 3.470 4.163 0.216 1.00 0.17 H new ATOM 0 HD21 LEU A 94 0.652 3.152 0.769 1.00 0.09 H new ATOM 0 HD22 LEU A 94 1.146 4.862 0.760 1.00 0.09 H new ATOM 0 HD23 LEU A 94 -0.211 4.323 -0.257 1.00 0.09 H new ATOM 834 N ARG A 95 2.611 6.333 -4.729 1.00 0.16 N ATOM 835 CA ARG A 95 2.150 6.602 -6.120 1.00 0.22 C ATOM 836 C ARG A 95 3.135 5.981 -7.113 1.00 0.26 C ATOM 837 O ARG A 95 2.790 5.101 -7.875 1.00 0.32 O ATOM 838 CB ARG A 95 2.077 8.113 -6.351 1.00 0.23 C ATOM 839 CG ARG A 95 1.287 8.395 -7.631 1.00 0.75 C ATOM 840 CD ARG A 95 2.030 9.433 -8.476 1.00 1.03 C ATOM 841 NE ARG A 95 1.487 10.790 -8.188 1.00 1.47 N ATOM 842 CZ ARG A 95 2.248 11.841 -8.330 1.00 1.84 C ATOM 843 NH1 ARG A 95 2.797 12.099 -9.485 1.00 2.41 N ATOM 844 NH2 ARG A 95 2.461 12.635 -7.316 1.00 2.36 N ATOM 0 H ARG A 95 2.943 7.149 -4.215 1.00 0.16 H new ATOM 0 HA ARG A 95 1.162 6.165 -6.266 1.00 0.22 H new ATOM 0 HB2 ARG A 95 1.598 8.599 -5.501 1.00 0.23 H new ATOM 0 HB3 ARG A 95 3.081 8.528 -6.432 1.00 0.23 H new ATOM 0 HG2 ARG A 95 1.157 7.474 -8.200 1.00 0.75 H new ATOM 0 HG3 ARG A 95 0.290 8.760 -7.382 1.00 0.75 H new ATOM 0 HD2 ARG A 95 3.097 9.402 -8.254 1.00 1.03 H new ATOM 0 HD3 ARG A 95 1.918 9.202 -9.535 1.00 1.03 H new ATOM 0 HE ARG A 95 0.521 10.898 -7.880 1.00 1.47 H new ATOM 0 HH11 ARG A 95 2.632 11.479 -10.278 1.00 2.41 H new ATOM 0 HH12 ARG A 95 3.391 12.921 -9.595 1.00 2.41 H new ATOM 0 HH21 ARG A 95 2.033 12.434 -6.412 1.00 2.36 H new ATOM 0 HH22 ARG A 95 3.056 13.456 -7.427 1.00 2.36 H new ATOM 858 N GLU A 96 4.359 6.434 -7.109 1.00 0.27 N ATOM 859 CA GLU A 96 5.366 5.870 -8.053 1.00 0.34 C ATOM 860 C GLU A 96 5.514 4.368 -7.802 1.00 0.33 C ATOM 861 O GLU A 96 5.717 3.593 -8.716 1.00 0.39 O ATOM 862 CB GLU A 96 6.713 6.560 -7.831 1.00 0.39 C ATOM 863 CG GLU A 96 7.024 7.471 -9.020 1.00 1.35 C ATOM 864 CD GLU A 96 8.414 8.085 -8.843 1.00 1.44 C ATOM 865 OE1 GLU A 96 9.382 7.411 -9.155 1.00 1.80 O ATOM 866 OE2 GLU A 96 8.486 9.219 -8.397 1.00 1.95 O ATOM 0 H GLU A 96 4.705 7.170 -6.493 1.00 0.27 H new ATOM 0 HA GLU A 96 5.037 6.036 -9.079 1.00 0.34 H new ATOM 0 HB2 GLU A 96 6.687 7.143 -6.910 1.00 0.39 H new ATOM 0 HB3 GLU A 96 7.500 5.815 -7.715 1.00 0.39 H new ATOM 0 HG2 GLU A 96 6.982 6.902 -9.949 1.00 1.35 H new ATOM 0 HG3 GLU A 96 6.274 8.258 -9.094 1.00 1.35 H new ATOM 873 N ALA A 97 5.414 3.950 -6.570 1.00 0.28 N ATOM 874 CA ALA A 97 5.548 2.499 -6.261 1.00 0.29 C ATOM 875 C ALA A 97 4.544 1.710 -7.100 1.00 0.34 C ATOM 876 O ALA A 97 4.880 0.719 -7.718 1.00 0.42 O ATOM 877 CB ALA A 97 5.269 2.264 -4.774 1.00 0.27 C ATOM 0 H ALA A 97 5.245 4.551 -5.764 1.00 0.28 H new ATOM 0 HA ALA A 97 6.560 2.168 -6.495 1.00 0.29 H new ATOM 0 HB1 ALA A 97 5.367 1.202 -4.549 1.00 0.27 H new ATOM 0 HB2 ALA A 97 5.984 2.829 -4.176 1.00 0.27 H new ATOM 0 HB3 ALA A 97 4.257 2.593 -4.537 1.00 0.27 H new ATOM 883 N GLY A 98 3.313 2.143 -7.129 1.00 0.36 N ATOM 884 CA GLY A 98 2.286 1.419 -7.931 1.00 0.44 C ATOM 885 C GLY A 98 2.774 1.279 -9.376 1.00 0.43 C ATOM 886 O GLY A 98 2.415 0.352 -10.075 1.00 0.53 O ATOM 0 H GLY A 98 2.974 2.967 -6.632 1.00 0.36 H new ATOM 0 HA2 GLY A 98 2.101 0.435 -7.501 1.00 0.44 H new ATOM 0 HA3 GLY A 98 1.341 1.961 -7.906 1.00 0.44 H new ATOM 890 N ASP A 99 3.590 2.193 -9.830 1.00 0.41 N ATOM 891 CA ASP A 99 4.100 2.110 -11.227 1.00 0.49 C ATOM 892 C ASP A 99 5.432 1.357 -11.237 1.00 0.42 C ATOM 893 O ASP A 99 5.585 0.356 -11.909 1.00 0.47 O ATOM 894 CB ASP A 99 4.306 3.522 -11.780 1.00 0.61 C ATOM 895 CG ASP A 99 4.216 3.491 -13.307 1.00 1.18 C ATOM 896 OD1 ASP A 99 4.713 2.542 -13.890 1.00 1.79 O ATOM 897 OD2 ASP A 99 3.652 4.416 -13.866 1.00 1.82 O ATOM 0 H ASP A 99 3.925 2.993 -9.293 1.00 0.41 H new ATOM 0 HA ASP A 99 3.378 1.580 -11.848 1.00 0.49 H new ATOM 0 HB2 ASP A 99 3.552 4.196 -11.374 1.00 0.61 H new ATOM 0 HB3 ASP A 99 5.278 3.907 -11.470 1.00 0.61 H new ATOM 902 N GLU A 100 6.397 1.828 -10.494 1.00 0.37 N ATOM 903 CA GLU A 100 7.717 1.137 -10.461 1.00 0.38 C ATOM 904 C GLU A 100 7.511 -0.327 -10.069 1.00 0.40 C ATOM 905 O GLU A 100 7.963 -1.232 -10.744 1.00 0.49 O ATOM 906 CB GLU A 100 8.623 1.813 -9.430 1.00 0.43 C ATOM 907 CG GLU A 100 9.235 3.078 -10.034 1.00 0.65 C ATOM 908 CD GLU A 100 10.164 2.697 -11.188 1.00 1.31 C ATOM 909 OE1 GLU A 100 10.427 1.516 -11.345 1.00 1.80 O ATOM 910 OE2 GLU A 100 10.597 3.592 -11.894 1.00 2.17 O ATOM 0 H GLU A 100 6.328 2.661 -9.909 1.00 0.37 H new ATOM 0 HA GLU A 100 8.181 1.193 -11.446 1.00 0.38 H new ATOM 0 HB2 GLU A 100 8.050 2.065 -8.537 1.00 0.43 H new ATOM 0 HB3 GLU A 100 9.412 1.128 -9.120 1.00 0.43 H new ATOM 0 HG2 GLU A 100 8.447 3.741 -10.392 1.00 0.65 H new ATOM 0 HG3 GLU A 100 9.790 3.625 -9.272 1.00 0.65 H new ATOM 917 N PHE A 101 6.831 -0.566 -8.982 1.00 0.37 N ATOM 918 CA PHE A 101 6.594 -1.969 -8.541 1.00 0.45 C ATOM 919 C PHE A 101 5.891 -2.743 -9.659 1.00 0.58 C ATOM 920 O PHE A 101 6.018 -3.947 -9.768 1.00 0.69 O ATOM 921 CB PHE A 101 5.712 -1.961 -7.288 1.00 0.47 C ATOM 922 CG PHE A 101 5.533 -3.365 -6.745 1.00 0.56 C ATOM 923 CD1 PHE A 101 6.500 -4.357 -6.976 1.00 1.28 C ATOM 924 CD2 PHE A 101 4.392 -3.671 -5.993 1.00 1.43 C ATOM 925 CE1 PHE A 101 6.321 -5.643 -6.457 1.00 1.35 C ATOM 926 CE2 PHE A 101 4.217 -4.959 -5.474 1.00 1.48 C ATOM 927 CZ PHE A 101 5.182 -5.944 -5.706 1.00 0.80 C ATOM 0 H PHE A 101 6.428 0.151 -8.379 1.00 0.37 H new ATOM 0 HA PHE A 101 7.546 -2.449 -8.314 1.00 0.45 H new ATOM 0 HB2 PHE A 101 6.163 -1.326 -6.525 1.00 0.47 H new ATOM 0 HB3 PHE A 101 4.739 -1.532 -7.526 1.00 0.47 H new ATOM 0 HD1 PHE A 101 7.382 -4.126 -7.555 1.00 1.28 H new ATOM 0 HD2 PHE A 101 3.646 -2.912 -5.813 1.00 1.43 H new ATOM 0 HE1 PHE A 101 7.065 -6.405 -6.637 1.00 1.35 H new ATOM 0 HE2 PHE A 101 3.336 -5.192 -4.894 1.00 1.48 H new ATOM 0 HZ PHE A 101 5.047 -6.937 -5.305 1.00 0.80 H new ATOM 937 N GLU A 102 5.149 -2.063 -10.494 1.00 0.64 N ATOM 938 CA GLU A 102 4.442 -2.764 -11.603 1.00 0.78 C ATOM 939 C GLU A 102 5.321 -2.752 -12.856 1.00 0.87 C ATOM 940 O GLU A 102 4.875 -2.421 -13.937 1.00 1.42 O ATOM 941 CB GLU A 102 3.120 -2.052 -11.899 1.00 0.82 C ATOM 942 CG GLU A 102 2.149 -3.033 -12.559 1.00 1.34 C ATOM 943 CD GLU A 102 0.747 -2.422 -12.592 1.00 1.39 C ATOM 944 OE1 GLU A 102 0.430 -1.667 -11.687 1.00 1.85 O ATOM 945 OE2 GLU A 102 0.014 -2.720 -13.520 1.00 1.83 O ATOM 0 H GLU A 102 5.003 -1.054 -10.455 1.00 0.64 H new ATOM 0 HA GLU A 102 4.240 -3.794 -11.310 1.00 0.78 H new ATOM 0 HB2 GLU A 102 2.690 -1.663 -10.976 1.00 0.82 H new ATOM 0 HB3 GLU A 102 3.293 -1.199 -12.555 1.00 0.82 H new ATOM 0 HG2 GLU A 102 2.481 -3.263 -13.572 1.00 1.34 H new ATOM 0 HG3 GLU A 102 2.134 -3.973 -12.007 1.00 1.34 H new ATOM 952 N LEU A 103 6.567 -3.115 -12.719 1.00 0.80 N ATOM 953 CA LEU A 103 7.479 -3.130 -13.897 1.00 0.85 C ATOM 954 C LEU A 103 8.545 -4.203 -13.680 1.00 0.88 C ATOM 955 O LEU A 103 8.691 -5.116 -14.468 1.00 1.00 O ATOM 956 CB LEU A 103 8.149 -1.762 -14.046 1.00 0.89 C ATOM 957 CG LEU A 103 8.361 -1.458 -15.530 1.00 1.35 C ATOM 958 CD1 LEU A 103 7.630 -0.166 -15.896 1.00 1.36 C ATOM 959 CD2 LEU A 103 9.857 -1.293 -15.807 1.00 1.84 C ATOM 0 H LEU A 103 6.994 -3.403 -11.838 1.00 0.80 H new ATOM 0 HA LEU A 103 6.912 -3.348 -14.802 1.00 0.85 H new ATOM 0 HB2 LEU A 103 7.529 -0.990 -13.590 1.00 0.89 H new ATOM 0 HB3 LEU A 103 9.105 -1.754 -13.522 1.00 0.89 H new ATOM 0 HG LEU A 103 7.968 -2.279 -16.129 1.00 1.35 H new ATOM 0 HD11 LEU A 103 7.781 0.051 -16.954 1.00 1.36 H new ATOM 0 HD12 LEU A 103 6.564 -0.282 -15.698 1.00 1.36 H new ATOM 0 HD13 LEU A 103 8.023 0.656 -15.298 1.00 1.36 H new ATOM 0 HD21 LEU A 103 10.010 -1.076 -16.864 1.00 1.84 H new ATOM 0 HD22 LEU A 103 10.250 -0.471 -15.208 1.00 1.84 H new ATOM 0 HD23 LEU A 103 10.379 -2.214 -15.546 1.00 1.84 H new ATOM 971 N ARG A 104 9.285 -4.105 -12.610 1.00 0.86 N ATOM 972 CA ARG A 104 10.334 -5.124 -12.336 1.00 0.92 C ATOM 973 C ARG A 104 9.655 -6.438 -11.948 1.00 0.87 C ATOM 974 O ARG A 104 10.177 -7.511 -12.178 1.00 1.07 O ATOM 975 CB ARG A 104 11.223 -4.651 -11.182 1.00 0.98 C ATOM 976 CG ARG A 104 12.674 -5.049 -11.460 1.00 1.26 C ATOM 977 CD ARG A 104 13.511 -4.863 -10.192 1.00 1.59 C ATOM 978 NE ARG A 104 14.923 -4.575 -10.570 1.00 2.09 N ATOM 979 CZ ARG A 104 15.871 -4.671 -9.678 1.00 2.75 C ATOM 980 NH1 ARG A 104 16.284 -5.846 -9.287 1.00 3.51 N ATOM 981 NH2 ARG A 104 16.409 -3.591 -9.179 1.00 3.18 N ATOM 0 H ARG A 104 9.208 -3.363 -11.914 1.00 0.86 H new ATOM 0 HA ARG A 104 10.948 -5.269 -13.225 1.00 0.92 H new ATOM 0 HB2 ARG A 104 11.146 -3.570 -11.070 1.00 0.98 H new ATOM 0 HB3 ARG A 104 10.886 -5.094 -10.244 1.00 0.98 H new ATOM 0 HG2 ARG A 104 12.720 -6.087 -11.789 1.00 1.26 H new ATOM 0 HG3 ARG A 104 13.080 -4.440 -12.268 1.00 1.26 H new ATOM 0 HD2 ARG A 104 13.109 -4.045 -9.594 1.00 1.59 H new ATOM 0 HD3 ARG A 104 13.464 -5.761 -9.576 1.00 1.59 H new ATOM 0 HE ARG A 104 15.149 -4.303 -11.527 1.00 2.09 H new ATOM 0 HH11 ARG A 104 15.866 -6.690 -9.679 1.00 3.51 H new ATOM 0 HH12 ARG A 104 17.025 -5.920 -8.590 1.00 3.51 H new ATOM 0 HH21 ARG A 104 16.088 -2.673 -9.486 1.00 3.18 H new ATOM 0 HH22 ARG A 104 17.150 -3.666 -8.482 1.00 3.18 H new ATOM 995 N TYR A 105 8.492 -6.360 -11.358 1.00 0.74 N ATOM 996 CA TYR A 105 7.775 -7.599 -10.953 1.00 0.72 C ATOM 997 C TYR A 105 6.656 -7.900 -11.951 1.00 0.84 C ATOM 998 O TYR A 105 5.495 -7.669 -11.677 1.00 1.00 O ATOM 999 CB TYR A 105 7.173 -7.402 -9.559 1.00 0.66 C ATOM 1000 CG TYR A 105 8.274 -7.442 -8.528 1.00 0.60 C ATOM 1001 CD1 TYR A 105 9.240 -6.426 -8.492 1.00 0.97 C ATOM 1002 CD2 TYR A 105 8.333 -8.498 -7.611 1.00 0.91 C ATOM 1003 CE1 TYR A 105 10.262 -6.466 -7.539 1.00 0.98 C ATOM 1004 CE2 TYR A 105 9.358 -8.538 -6.658 1.00 0.89 C ATOM 1005 CZ TYR A 105 10.322 -7.522 -6.623 1.00 0.59 C ATOM 1006 OH TYR A 105 11.333 -7.563 -5.685 1.00 0.63 O ATOM 0 H TYR A 105 8.009 -5.489 -11.140 1.00 0.74 H new ATOM 0 HA TYR A 105 8.476 -8.433 -10.937 1.00 0.72 H new ATOM 0 HB2 TYR A 105 6.647 -6.448 -9.509 1.00 0.66 H new ATOM 0 HB3 TYR A 105 6.439 -8.182 -9.354 1.00 0.66 H new ATOM 0 HD1 TYR A 105 9.194 -5.612 -9.201 1.00 0.97 H new ATOM 0 HD2 TYR A 105 7.589 -9.281 -7.639 1.00 0.91 H new ATOM 0 HE1 TYR A 105 11.005 -5.682 -7.510 1.00 0.98 H new ATOM 0 HE2 TYR A 105 9.405 -9.352 -5.950 1.00 0.89 H new ATOM 0 HH TYR A 105 11.608 -6.650 -5.461 1.00 0.63 H new ATOM 1016 N ARG A 106 6.995 -8.415 -13.104 1.00 0.99 N ATOM 1017 CA ARG A 106 5.948 -8.737 -14.118 1.00 1.12 C ATOM 1018 C ARG A 106 4.882 -9.619 -13.464 1.00 0.90 C ATOM 1019 O ARG A 106 3.712 -9.542 -13.781 1.00 1.14 O ATOM 1020 CB ARG A 106 6.585 -9.487 -15.290 1.00 1.42 C ATOM 1021 CG ARG A 106 6.142 -8.850 -16.610 1.00 1.91 C ATOM 1022 CD ARG A 106 6.636 -9.704 -17.780 1.00 2.35 C ATOM 1023 NE ARG A 106 6.651 -8.882 -19.023 1.00 2.64 N ATOM 1024 CZ ARG A 106 7.276 -9.314 -20.085 1.00 3.14 C ATOM 1025 NH1 ARG A 106 6.918 -10.439 -20.641 1.00 3.28 N ATOM 1026 NH2 ARG A 106 8.260 -8.622 -20.590 1.00 3.93 N ATOM 0 H ARG A 106 7.952 -8.626 -13.387 1.00 0.99 H new ATOM 0 HA ARG A 106 5.493 -7.818 -14.486 1.00 1.12 H new ATOM 0 HB2 ARG A 106 7.671 -9.457 -15.207 1.00 1.42 H new ATOM 0 HB3 ARG A 106 6.292 -10.537 -15.265 1.00 1.42 H new ATOM 0 HG2 ARG A 106 5.056 -8.767 -16.640 1.00 1.91 H new ATOM 0 HG3 ARG A 106 6.541 -7.839 -16.690 1.00 1.91 H new ATOM 0 HD2 ARG A 106 7.636 -10.084 -17.570 1.00 2.35 H new ATOM 0 HD3 ARG A 106 5.987 -10.570 -17.912 1.00 2.35 H new ATOM 0 HE ARG A 106 6.173 -7.981 -19.044 1.00 2.64 H new ATOM 0 HH11 ARG A 106 6.150 -10.981 -20.246 1.00 3.28 H new ATOM 0 HH12 ARG A 106 7.406 -10.776 -21.471 1.00 3.28 H new ATOM 0 HH21 ARG A 106 8.541 -7.743 -20.155 1.00 3.93 H new ATOM 0 HH22 ARG A 106 8.748 -8.960 -21.420 1.00 3.93 H new ATOM 1040 N ARG A 107 5.286 -10.451 -12.543 1.00 1.21 N ATOM 1041 CA ARG A 107 4.312 -11.338 -11.850 1.00 1.58 C ATOM 1042 C ARG A 107 4.532 -11.222 -10.342 1.00 1.80 C ATOM 1043 O ARG A 107 5.429 -11.825 -9.787 1.00 2.67 O ATOM 1044 CB ARG A 107 4.527 -12.787 -12.283 1.00 2.10 C ATOM 1045 CG ARG A 107 4.426 -12.890 -13.805 1.00 2.43 C ATOM 1046 CD ARG A 107 5.234 -14.094 -14.291 1.00 3.32 C ATOM 1047 NE ARG A 107 6.530 -13.626 -14.858 1.00 4.19 N ATOM 1048 CZ ARG A 107 7.542 -14.447 -14.937 1.00 4.75 C ATOM 1049 NH1 ARG A 107 7.457 -15.516 -15.680 1.00 5.22 N ATOM 1050 NH2 ARG A 107 8.637 -14.199 -14.272 1.00 5.15 N ATOM 0 H ARG A 107 6.255 -10.554 -12.240 1.00 1.21 H new ATOM 0 HA ARG A 107 3.296 -11.039 -12.107 1.00 1.58 H new ATOM 0 HB2 ARG A 107 5.504 -13.135 -11.949 1.00 2.10 H new ATOM 0 HB3 ARG A 107 3.782 -13.431 -11.815 1.00 2.10 H new ATOM 0 HG2 ARG A 107 3.383 -12.994 -14.104 1.00 2.43 H new ATOM 0 HG3 ARG A 107 4.801 -11.977 -14.267 1.00 2.43 H new ATOM 0 HD2 ARG A 107 5.414 -14.782 -13.465 1.00 3.32 H new ATOM 0 HD3 ARG A 107 4.671 -14.642 -15.046 1.00 3.32 H new ATOM 0 HE ARG A 107 6.626 -12.664 -15.184 1.00 4.19 H new ATOM 0 HH11 ARG A 107 6.600 -15.710 -16.199 1.00 5.22 H new ATOM 0 HH12 ARG A 107 8.247 -16.158 -15.742 1.00 5.22 H new ATOM 0 HH21 ARG A 107 8.702 -13.364 -13.690 1.00 5.15 H new ATOM 0 HH22 ARG A 107 9.428 -14.841 -14.334 1.00 5.15 H new ATOM 1064 N ALA A 108 3.725 -10.447 -9.677 1.00 1.59 N ATOM 1065 CA ALA A 108 3.890 -10.287 -8.205 1.00 2.07 C ATOM 1066 C ALA A 108 2.788 -11.055 -7.476 1.00 1.70 C ATOM 1067 O ALA A 108 3.033 -12.069 -6.855 1.00 2.40 O ATOM 1068 CB ALA A 108 3.801 -8.803 -7.843 1.00 2.68 C ATOM 0 H ALA A 108 2.957 -9.916 -10.088 1.00 1.59 H new ATOM 0 HA ALA A 108 4.862 -10.680 -7.905 1.00 2.07 H new ATOM 0 HB1 ALA A 108 3.921 -8.683 -6.766 1.00 2.68 H new ATOM 0 HB2 ALA A 108 4.589 -8.255 -8.359 1.00 2.68 H new ATOM 0 HB3 ALA A 108 2.829 -8.412 -8.145 1.00 2.68 H new ATOM 1074 N PHE A 109 1.574 -10.581 -7.548 1.00 0.94 N ATOM 1075 CA PHE A 109 0.460 -11.290 -6.858 1.00 0.77 C ATOM 1076 C PHE A 109 -0.542 -11.794 -7.899 1.00 0.79 C ATOM 1077 O PHE A 109 -1.736 -11.810 -7.673 1.00 1.24 O ATOM 1078 CB PHE A 109 -0.241 -10.341 -5.876 1.00 1.26 C ATOM 1079 CG PHE A 109 0.344 -8.951 -5.981 1.00 0.95 C ATOM 1080 CD1 PHE A 109 1.601 -8.669 -5.427 1.00 1.63 C ATOM 1081 CD2 PHE A 109 -0.378 -7.940 -6.627 1.00 1.42 C ATOM 1082 CE1 PHE A 109 2.130 -7.378 -5.521 1.00 2.14 C ATOM 1083 CE2 PHE A 109 0.153 -6.648 -6.718 1.00 1.80 C ATOM 1084 CZ PHE A 109 1.407 -6.367 -6.165 1.00 2.00 C ATOM 0 H PHE A 109 1.306 -9.736 -8.053 1.00 0.94 H new ATOM 0 HA PHE A 109 0.862 -12.136 -6.301 1.00 0.77 H new ATOM 0 HB2 PHE A 109 -1.309 -10.310 -6.089 1.00 1.26 H new ATOM 0 HB3 PHE A 109 -0.130 -10.714 -4.858 1.00 1.26 H new ATOM 0 HD1 PHE A 109 2.160 -9.448 -4.929 1.00 1.63 H new ATOM 0 HD2 PHE A 109 -1.345 -8.157 -7.055 1.00 1.42 H new ATOM 0 HE1 PHE A 109 3.099 -7.160 -5.096 1.00 2.14 H new ATOM 0 HE2 PHE A 109 -0.405 -5.868 -7.215 1.00 1.80 H new ATOM 0 HZ PHE A 109 1.817 -5.370 -6.235 1.00 2.00 H new ATOM 1094 N SER A 110 -0.064 -12.210 -9.041 1.00 0.85 N ATOM 1095 CA SER A 110 -0.987 -12.716 -10.096 1.00 1.17 C ATOM 1096 C SER A 110 -1.853 -13.835 -9.515 1.00 1.10 C ATOM 1097 O SER A 110 -2.981 -14.036 -9.921 1.00 1.69 O ATOM 1098 CB SER A 110 -0.170 -13.261 -11.269 1.00 1.58 C ATOM 1099 OG SER A 110 -0.274 -12.366 -12.369 1.00 1.88 O ATOM 0 H SER A 110 0.926 -12.221 -9.288 1.00 0.85 H new ATOM 0 HA SER A 110 -1.625 -11.904 -10.445 1.00 1.17 H new ATOM 0 HB2 SER A 110 0.874 -13.377 -10.977 1.00 1.58 H new ATOM 0 HB3 SER A 110 -0.534 -14.249 -11.553 1.00 1.58 H new ATOM 0 HG SER A 110 0.250 -12.711 -13.122 1.00 1.88 H new ATOM 1105 N ASP A 111 -1.335 -14.564 -8.563 1.00 0.66 N ATOM 1106 CA ASP A 111 -2.128 -15.668 -7.953 1.00 0.68 C ATOM 1107 C ASP A 111 -2.946 -15.115 -6.785 1.00 0.60 C ATOM 1108 O ASP A 111 -4.060 -15.533 -6.542 1.00 1.07 O ATOM 1109 CB ASP A 111 -1.180 -16.756 -7.445 1.00 0.84 C ATOM 1110 CG ASP A 111 -1.491 -18.075 -8.154 1.00 1.74 C ATOM 1111 OD1 ASP A 111 -1.137 -18.199 -9.315 1.00 2.35 O ATOM 1112 OD2 ASP A 111 -2.079 -18.939 -7.524 1.00 2.45 O ATOM 0 H ASP A 111 -0.397 -14.442 -8.182 1.00 0.66 H new ATOM 0 HA ASP A 111 -2.799 -16.094 -8.699 1.00 0.68 H new ATOM 0 HB2 ASP A 111 -0.145 -16.467 -7.629 1.00 0.84 H new ATOM 0 HB3 ASP A 111 -1.290 -16.875 -6.367 1.00 0.84 H new ATOM 1117 N LEU A 112 -2.402 -14.175 -6.059 1.00 0.17 N ATOM 1118 CA LEU A 112 -3.150 -13.596 -4.909 1.00 0.25 C ATOM 1119 C LEU A 112 -4.468 -13.005 -5.414 1.00 0.28 C ATOM 1120 O LEU A 112 -5.533 -13.348 -4.940 1.00 0.63 O ATOM 1121 CB LEU A 112 -2.312 -12.496 -4.252 1.00 0.37 C ATOM 1122 CG LEU A 112 -0.906 -13.023 -3.950 1.00 0.34 C ATOM 1123 CD1 LEU A 112 -0.268 -12.170 -2.853 1.00 0.63 C ATOM 1124 CD2 LEU A 112 -0.991 -14.476 -3.475 1.00 0.52 C ATOM 0 H LEU A 112 -1.473 -13.784 -6.214 1.00 0.17 H new ATOM 0 HA LEU A 112 -3.355 -14.376 -4.176 1.00 0.25 H new ATOM 0 HB2 LEU A 112 -2.252 -11.630 -4.911 1.00 0.37 H new ATOM 0 HB3 LEU A 112 -2.791 -12.163 -3.331 1.00 0.37 H new ATOM 0 HG LEU A 112 -0.300 -12.972 -4.855 1.00 0.34 H new ATOM 0 HD11 LEU A 112 0.733 -12.544 -2.637 1.00 0.63 H new ATOM 0 HD12 LEU A 112 -0.204 -11.135 -3.188 1.00 0.63 H new ATOM 0 HD13 LEU A 112 -0.877 -12.222 -1.951 1.00 0.63 H new ATOM 0 HD21 LEU A 112 0.011 -14.848 -3.261 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.598 -14.528 -2.571 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.446 -15.087 -4.254 1.00 0.52 H new ATOM 1136 N THR A 113 -4.407 -12.122 -6.374 1.00 0.27 N ATOM 1137 CA THR A 113 -5.661 -11.518 -6.906 1.00 0.24 C ATOM 1138 C THR A 113 -6.593 -12.639 -7.368 1.00 0.17 C ATOM 1139 O THR A 113 -7.764 -12.661 -7.043 1.00 0.18 O ATOM 1140 CB THR A 113 -5.328 -10.604 -8.088 1.00 0.33 C ATOM 1141 OG1 THR A 113 -4.917 -11.394 -9.195 1.00 1.02 O ATOM 1142 CG2 THR A 113 -4.202 -9.646 -7.696 1.00 0.61 C ATOM 0 H THR A 113 -3.546 -11.794 -6.811 1.00 0.27 H new ATOM 0 HA THR A 113 -6.149 -10.931 -6.128 1.00 0.24 H new ATOM 0 HB THR A 113 -6.212 -10.028 -8.361 1.00 0.33 H new ATOM 0 HG1 THR A 113 -4.705 -10.810 -9.953 1.00 1.02 H new ATOM 0 HG21 THR A 113 -3.967 -8.996 -8.539 1.00 0.61 H new ATOM 0 HG22 THR A 113 -4.519 -9.039 -6.848 1.00 0.61 H new ATOM 0 HG23 THR A 113 -3.316 -10.219 -7.421 1.00 0.61 H new ATOM 1150 N SER A 114 -6.081 -13.575 -8.121 1.00 0.20 N ATOM 1151 CA SER A 114 -6.935 -14.699 -8.599 1.00 0.18 C ATOM 1152 C SER A 114 -7.536 -15.432 -7.393 1.00 0.13 C ATOM 1153 O SER A 114 -8.558 -16.082 -7.497 1.00 0.13 O ATOM 1154 CB SER A 114 -6.085 -15.673 -9.416 1.00 0.25 C ATOM 1155 OG SER A 114 -6.777 -16.013 -10.610 1.00 1.24 O ATOM 0 H SER A 114 -5.108 -13.609 -8.426 1.00 0.20 H new ATOM 0 HA SER A 114 -7.738 -14.306 -9.223 1.00 0.18 H new ATOM 0 HB2 SER A 114 -5.123 -15.221 -9.656 1.00 0.25 H new ATOM 0 HB3 SER A 114 -5.879 -16.571 -8.833 1.00 0.25 H new ATOM 0 HG SER A 114 -6.234 -16.636 -11.137 1.00 1.24 H new ATOM 1161 N GLN A 115 -6.912 -15.329 -6.246 1.00 0.14 N ATOM 1162 CA GLN A 115 -7.448 -16.016 -5.035 1.00 0.14 C ATOM 1163 C GLN A 115 -8.334 -15.047 -4.238 1.00 0.13 C ATOM 1164 O GLN A 115 -8.604 -15.248 -3.072 1.00 0.15 O ATOM 1165 CB GLN A 115 -6.263 -16.471 -4.174 1.00 0.17 C ATOM 1166 CG GLN A 115 -6.729 -17.338 -2.993 1.00 0.21 C ATOM 1167 CD GLN A 115 -7.715 -18.405 -3.473 1.00 0.21 C ATOM 1168 OE1 GLN A 115 -8.892 -18.141 -3.617 1.00 1.02 O ATOM 1169 NE2 GLN A 115 -7.282 -19.610 -3.726 1.00 1.02 N ATOM 0 H GLN A 115 -6.054 -14.798 -6.098 1.00 0.14 H new ATOM 0 HA GLN A 115 -8.049 -16.877 -5.326 1.00 0.14 H new ATOM 0 HB2 GLN A 115 -5.561 -17.036 -4.787 1.00 0.17 H new ATOM 0 HB3 GLN A 115 -5.728 -15.599 -3.798 1.00 0.17 H new ATOM 0 HG2 GLN A 115 -5.869 -17.814 -2.521 1.00 0.21 H new ATOM 0 HG3 GLN A 115 -7.201 -16.711 -2.237 1.00 0.21 H new ATOM 0 HE21 GLN A 115 -6.294 -19.833 -3.605 1.00 1.02 H new ATOM 0 HE22 GLN A 115 -7.932 -20.329 -4.044 1.00 1.02 H new ATOM 1178 N LEU A 116 -8.792 -13.999 -4.860 1.00 0.12 N ATOM 1179 CA LEU A 116 -9.658 -13.023 -4.143 1.00 0.12 C ATOM 1180 C LEU A 116 -10.901 -12.737 -4.991 1.00 0.11 C ATOM 1181 O LEU A 116 -11.323 -11.607 -5.135 1.00 0.11 O ATOM 1182 CB LEU A 116 -8.877 -11.726 -3.914 1.00 0.14 C ATOM 1183 CG LEU A 116 -8.980 -11.320 -2.443 1.00 0.15 C ATOM 1184 CD1 LEU A 116 -7.834 -10.368 -2.093 1.00 0.17 C ATOM 1185 CD2 LEU A 116 -10.316 -10.617 -2.203 1.00 0.13 C ATOM 0 H LEU A 116 -8.604 -13.775 -5.837 1.00 0.12 H new ATOM 0 HA LEU A 116 -9.962 -13.434 -3.180 1.00 0.12 H new ATOM 0 HB2 LEU A 116 -7.832 -11.865 -4.191 1.00 0.14 H new ATOM 0 HB3 LEU A 116 -9.273 -10.934 -4.549 1.00 0.14 H new ATOM 0 HG LEU A 116 -8.917 -12.209 -1.816 1.00 0.15 H new ATOM 0 HD11 LEU A 116 -7.908 -10.079 -1.045 1.00 0.17 H new ATOM 0 HD12 LEU A 116 -6.881 -10.867 -2.265 1.00 0.17 H new ATOM 0 HD13 LEU A 116 -7.896 -9.478 -2.720 1.00 0.17 H new ATOM 0 HD21 LEU A 116 -10.391 -10.327 -1.155 1.00 0.13 H new ATOM 0 HD22 LEU A 116 -10.377 -9.728 -2.831 1.00 0.13 H new ATOM 0 HD23 LEU A 116 -11.133 -11.294 -2.452 1.00 0.13 H new ATOM 1197 N HIS A 117 -11.486 -13.759 -5.556 1.00 0.11 N ATOM 1198 CA HIS A 117 -12.700 -13.559 -6.398 1.00 0.11 C ATOM 1199 C HIS A 117 -13.750 -12.769 -5.614 1.00 0.10 C ATOM 1200 O HIS A 117 -14.151 -13.152 -4.532 1.00 0.12 O ATOM 1201 CB HIS A 117 -13.277 -14.921 -6.791 1.00 0.11 C ATOM 1202 CG HIS A 117 -13.470 -14.973 -8.282 1.00 0.11 C ATOM 1203 ND1 HIS A 117 -12.469 -15.395 -9.143 1.00 0.12 N ATOM 1204 CD2 HIS A 117 -14.543 -14.660 -9.079 1.00 0.11 C ATOM 1205 CE1 HIS A 117 -12.955 -15.325 -10.395 1.00 0.12 C ATOM 1206 NE2 HIS A 117 -14.215 -14.883 -10.414 1.00 0.12 N ATOM 0 H HIS A 117 -11.174 -14.726 -5.470 1.00 0.11 H new ATOM 0 HA HIS A 117 -12.428 -13.004 -7.295 1.00 0.11 H new ATOM 0 HB2 HIS A 117 -12.605 -15.718 -6.473 1.00 0.11 H new ATOM 0 HB3 HIS A 117 -14.228 -15.085 -6.285 1.00 0.11 H new ATOM 0 HD2 HIS A 117 -15.496 -14.296 -8.725 1.00 0.11 H new ATOM 0 HE1 HIS A 117 -12.394 -15.594 -11.278 1.00 0.12 H new ATOM 0 HE2 HIS A 117 -14.809 -14.740 -11.231 1.00 0.12 H new ATOM 1214 N ILE A 118 -14.199 -11.669 -6.153 1.00 0.10 N ATOM 1215 CA ILE A 118 -15.222 -10.852 -5.441 1.00 0.09 C ATOM 1216 C ILE A 118 -16.584 -11.542 -5.537 1.00 0.10 C ATOM 1217 O ILE A 118 -16.992 -11.990 -6.590 1.00 0.10 O ATOM 1218 CB ILE A 118 -15.305 -9.468 -6.086 1.00 0.09 C ATOM 1219 CG1 ILE A 118 -13.924 -8.808 -6.056 1.00 0.09 C ATOM 1220 CG2 ILE A 118 -16.300 -8.601 -5.311 1.00 0.09 C ATOM 1221 CD1 ILE A 118 -13.581 -8.406 -4.620 1.00 0.09 C ATOM 0 H ILE A 118 -13.901 -11.300 -7.056 1.00 0.10 H new ATOM 0 HA ILE A 118 -14.941 -10.749 -4.393 1.00 0.09 H new ATOM 0 HB ILE A 118 -15.639 -9.569 -7.119 1.00 0.09 H new ATOM 0 HG12 ILE A 118 -13.172 -9.496 -6.442 1.00 0.09 H new ATOM 0 HG13 ILE A 118 -13.915 -7.931 -6.703 1.00 0.09 H new ATOM 0 HG21 ILE A 118 -16.359 -7.615 -5.771 1.00 0.09 H new ATOM 0 HG22 ILE A 118 -17.284 -9.070 -5.331 1.00 0.09 H new ATOM 0 HG23 ILE A 118 -15.967 -8.500 -4.278 1.00 0.09 H new ATOM 0 HD11 ILE A 118 -12.598 -7.936 -4.599 1.00 0.09 H new ATOM 0 HD12 ILE A 118 -14.327 -7.703 -4.251 1.00 0.09 H new ATOM 0 HD13 ILE A 118 -13.573 -9.293 -3.986 1.00 0.09 H new ATOM 1233 N THR A 119 -17.292 -11.631 -4.444 1.00 0.09 N ATOM 1234 CA THR A 119 -18.628 -12.290 -4.471 1.00 0.09 C ATOM 1235 C THR A 119 -19.299 -12.129 -3.105 1.00 0.09 C ATOM 1236 O THR A 119 -18.650 -11.814 -2.128 1.00 0.08 O ATOM 1237 CB THR A 119 -18.456 -13.779 -4.784 1.00 0.10 C ATOM 1238 OG1 THR A 119 -17.084 -14.129 -4.673 1.00 0.09 O ATOM 1239 CG2 THR A 119 -18.943 -14.062 -6.206 1.00 0.11 C ATOM 0 H THR A 119 -17.002 -11.275 -3.533 1.00 0.09 H new ATOM 0 HA THR A 119 -19.248 -11.828 -5.239 1.00 0.09 H new ATOM 0 HB THR A 119 -19.040 -14.369 -4.078 1.00 0.10 H new ATOM 0 HG1 THR A 119 -16.972 -15.082 -4.872 1.00 0.09 H new ATOM 0 HG21 THR A 119 -18.820 -15.122 -6.428 1.00 0.11 H new ATOM 0 HG22 THR A 119 -19.996 -13.793 -6.290 1.00 0.11 H new ATOM 0 HG23 THR A 119 -18.360 -13.473 -6.914 1.00 0.11 H new ATOM 1247 N PRO A 120 -20.585 -12.353 -3.084 1.00 0.09 N ATOM 1248 CA PRO A 120 -21.397 -12.247 -1.867 1.00 0.09 C ATOM 1249 C PRO A 120 -21.109 -13.430 -0.938 1.00 0.09 C ATOM 1250 O PRO A 120 -21.965 -14.253 -0.681 1.00 0.09 O ATOM 1251 CB PRO A 120 -22.848 -12.279 -2.334 1.00 0.10 C ATOM 1252 CG PRO A 120 -22.760 -13.034 -3.683 1.00 0.10 C ATOM 1253 CD PRO A 120 -21.362 -12.736 -4.282 1.00 0.10 C ATOM 0 HA PRO A 120 -21.176 -11.336 -1.310 1.00 0.09 H new ATOM 0 HB2 PRO A 120 -23.490 -12.797 -1.622 1.00 0.10 H new ATOM 0 HB3 PRO A 120 -23.255 -11.275 -2.458 1.00 0.10 H new ATOM 0 HG2 PRO A 120 -22.895 -14.105 -3.534 1.00 0.10 H new ATOM 0 HG3 PRO A 120 -23.548 -12.705 -4.361 1.00 0.10 H new ATOM 0 HD2 PRO A 120 -20.938 -13.608 -4.781 1.00 0.10 H new ATOM 0 HD3 PRO A 120 -21.397 -11.933 -5.018 1.00 0.10 H new ATOM 1261 N GLY A 121 -19.908 -13.521 -0.434 1.00 0.08 N ATOM 1262 CA GLY A 121 -19.566 -14.650 0.477 1.00 0.08 C ATOM 1263 C GLY A 121 -18.360 -14.265 1.336 1.00 0.07 C ATOM 1264 O GLY A 121 -18.498 -13.892 2.484 1.00 0.07 O ATOM 0 H GLY A 121 -19.150 -12.863 -0.614 1.00 0.08 H new ATOM 0 HA2 GLY A 121 -20.418 -14.889 1.114 1.00 0.08 H new ATOM 0 HA3 GLY A 121 -19.342 -15.545 -0.104 1.00 0.08 H new ATOM 1268 N THR A 122 -17.178 -14.354 0.790 1.00 0.07 N ATOM 1269 CA THR A 122 -15.966 -13.993 1.577 1.00 0.06 C ATOM 1270 C THR A 122 -15.740 -12.481 1.501 1.00 0.06 C ATOM 1271 O THR A 122 -16.507 -11.759 0.896 1.00 0.07 O ATOM 1272 CB THR A 122 -14.748 -14.720 1.000 1.00 0.06 C ATOM 1273 OG1 THR A 122 -13.638 -14.541 1.869 1.00 0.06 O ATOM 1274 CG2 THR A 122 -14.417 -14.149 -0.379 1.00 0.07 C ATOM 0 H THR A 122 -17.000 -14.661 -0.166 1.00 0.07 H new ATOM 0 HA THR A 122 -16.107 -14.288 2.617 1.00 0.06 H new ATOM 0 HB THR A 122 -14.969 -15.783 0.906 1.00 0.06 H new ATOM 0 HG1 THR A 122 -13.089 -15.353 1.870 1.00 0.06 H new ATOM 0 HG21 THR A 122 -13.550 -14.667 -0.789 1.00 0.07 H new ATOM 0 HG22 THR A 122 -15.270 -14.287 -1.044 1.00 0.07 H new ATOM 0 HG23 THR A 122 -14.195 -13.086 -0.289 1.00 0.07 H new ATOM 1282 N ALA A 123 -14.693 -11.998 2.110 1.00 0.05 N ATOM 1283 CA ALA A 123 -14.418 -10.534 2.073 1.00 0.05 C ATOM 1284 C ALA A 123 -13.147 -10.234 2.869 1.00 0.04 C ATOM 1285 O ALA A 123 -12.088 -10.023 2.311 1.00 0.05 O ATOM 1286 CB ALA A 123 -15.597 -9.778 2.691 1.00 0.05 C ATOM 0 H ALA A 123 -14.015 -12.554 2.632 1.00 0.05 H new ATOM 0 HA ALA A 123 -14.283 -10.215 1.039 1.00 0.05 H new ATOM 0 HB1 ALA A 123 -15.397 -8.707 2.664 1.00 0.05 H new ATOM 0 HB2 ALA A 123 -16.503 -9.992 2.125 1.00 0.05 H new ATOM 0 HB3 ALA A 123 -15.732 -10.096 3.725 1.00 0.05 H new ATOM 1292 N TYR A 124 -13.242 -10.214 4.170 1.00 0.04 N ATOM 1293 CA TYR A 124 -12.038 -9.929 5.001 1.00 0.04 C ATOM 1294 C TYR A 124 -11.307 -11.237 5.316 1.00 0.05 C ATOM 1295 O TYR A 124 -10.115 -11.250 5.548 1.00 0.05 O ATOM 1296 CB TYR A 124 -12.468 -9.259 6.308 1.00 0.04 C ATOM 1297 CG TYR A 124 -11.926 -10.043 7.478 1.00 0.04 C ATOM 1298 CD1 TYR A 124 -12.673 -11.095 8.022 1.00 0.04 C ATOM 1299 CD2 TYR A 124 -10.677 -9.719 8.020 1.00 0.04 C ATOM 1300 CE1 TYR A 124 -12.171 -11.823 9.107 1.00 0.04 C ATOM 1301 CE2 TYR A 124 -10.175 -10.446 9.106 1.00 0.04 C ATOM 1302 CZ TYR A 124 -10.922 -11.498 9.649 1.00 0.04 C ATOM 1303 OH TYR A 124 -10.427 -12.215 10.719 1.00 0.04 O ATOM 0 H TYR A 124 -14.101 -10.383 4.694 1.00 0.04 H new ATOM 0 HA TYR A 124 -11.370 -9.265 4.452 1.00 0.04 H new ATOM 0 HB2 TYR A 124 -12.100 -8.234 6.342 1.00 0.04 H new ATOM 0 HB3 TYR A 124 -13.555 -9.209 6.363 1.00 0.04 H new ATOM 0 HD1 TYR A 124 -13.637 -11.345 7.604 1.00 0.04 H new ATOM 0 HD2 TYR A 124 -10.100 -8.908 7.600 1.00 0.04 H new ATOM 0 HE1 TYR A 124 -12.747 -12.635 9.526 1.00 0.04 H new ATOM 0 HE2 TYR A 124 -9.212 -10.195 9.525 1.00 0.04 H new ATOM 0 HH TYR A 124 -9.549 -11.861 10.972 1.00 0.04 H new ATOM 1313 N GLN A 125 -12.008 -12.339 5.327 1.00 0.05 N ATOM 1314 CA GLN A 125 -11.346 -13.640 5.627 1.00 0.05 C ATOM 1315 C GLN A 125 -10.333 -13.965 4.527 1.00 0.06 C ATOM 1316 O GLN A 125 -9.142 -14.016 4.762 1.00 0.10 O ATOM 1317 CB GLN A 125 -12.401 -14.746 5.691 1.00 0.06 C ATOM 1318 CG GLN A 125 -13.089 -14.719 7.058 1.00 0.05 C ATOM 1319 CD GLN A 125 -13.213 -16.145 7.596 1.00 0.06 C ATOM 1320 OE1 GLN A 125 -12.247 -16.882 7.625 1.00 0.07 O ATOM 1321 NE2 GLN A 125 -14.370 -16.569 8.026 1.00 0.06 N ATOM 0 H GLN A 125 -13.009 -12.394 5.141 1.00 0.05 H new ATOM 0 HA GLN A 125 -10.831 -13.572 6.585 1.00 0.05 H new ATOM 0 HB2 GLN A 125 -13.137 -14.607 4.899 1.00 0.06 H new ATOM 0 HB3 GLN A 125 -11.935 -15.717 5.526 1.00 0.06 H new ATOM 0 HG2 GLN A 125 -12.516 -14.105 7.753 1.00 0.05 H new ATOM 0 HG3 GLN A 125 -14.076 -14.265 6.971 1.00 0.05 H new ATOM 0 HE21 GLN A 125 -15.181 -15.951 8.002 1.00 0.06 H new ATOM 0 HE22 GLN A 125 -14.463 -17.519 8.386 1.00 0.06 H new ATOM 1330 N SER A 126 -10.797 -14.188 3.328 1.00 0.06 N ATOM 1331 CA SER A 126 -9.861 -14.512 2.214 1.00 0.07 C ATOM 1332 C SER A 126 -8.924 -13.327 1.970 1.00 0.07 C ATOM 1333 O SER A 126 -7.772 -13.496 1.623 1.00 0.12 O ATOM 1334 CB SER A 126 -10.661 -14.798 0.943 1.00 0.08 C ATOM 1335 OG SER A 126 -11.079 -16.157 0.948 1.00 0.08 O ATOM 0 H SER A 126 -11.784 -14.160 3.071 1.00 0.06 H new ATOM 0 HA SER A 126 -9.273 -15.390 2.480 1.00 0.07 H new ATOM 0 HB2 SER A 126 -11.528 -14.139 0.889 1.00 0.08 H new ATOM 0 HB3 SER A 126 -10.051 -14.596 0.062 1.00 0.08 H new ATOM 0 HG SER A 126 -11.594 -16.344 0.135 1.00 0.08 H new ATOM 1341 N PHE A 127 -9.408 -12.128 2.146 1.00 0.07 N ATOM 1342 CA PHE A 127 -8.543 -10.935 1.921 1.00 0.07 C ATOM 1343 C PHE A 127 -7.391 -10.944 2.928 1.00 0.06 C ATOM 1344 O PHE A 127 -6.243 -10.771 2.571 1.00 0.09 O ATOM 1345 CB PHE A 127 -9.372 -9.662 2.104 1.00 0.06 C ATOM 1346 CG PHE A 127 -8.467 -8.456 2.026 1.00 0.06 C ATOM 1347 CD1 PHE A 127 -7.867 -7.955 3.187 1.00 0.05 C ATOM 1348 CD2 PHE A 127 -8.227 -7.840 0.792 1.00 0.06 C ATOM 1349 CE1 PHE A 127 -7.027 -6.836 3.114 1.00 0.05 C ATOM 1350 CE2 PHE A 127 -7.388 -6.721 0.719 1.00 0.06 C ATOM 1351 CZ PHE A 127 -6.788 -6.220 1.880 1.00 0.06 C ATOM 0 H PHE A 127 -10.364 -11.923 2.436 1.00 0.07 H new ATOM 0 HA PHE A 127 -8.140 -10.963 0.908 1.00 0.07 H new ATOM 0 HB2 PHE A 127 -10.142 -9.603 1.334 1.00 0.06 H new ATOM 0 HB3 PHE A 127 -9.884 -9.684 3.066 1.00 0.06 H new ATOM 0 HD1 PHE A 127 -8.051 -8.431 4.139 1.00 0.05 H new ATOM 0 HD2 PHE A 127 -8.689 -8.228 -0.104 1.00 0.06 H new ATOM 0 HE1 PHE A 127 -6.564 -6.449 4.010 1.00 0.05 H new ATOM 0 HE2 PHE A 127 -7.204 -6.245 -0.233 1.00 0.06 H new ATOM 0 HZ PHE A 127 -6.140 -5.358 1.824 1.00 0.06 H new ATOM 1361 N GLU A 128 -7.687 -11.142 4.183 1.00 0.07 N ATOM 1362 CA GLU A 128 -6.609 -11.161 5.212 1.00 0.07 C ATOM 1363 C GLU A 128 -5.764 -12.426 5.046 1.00 0.08 C ATOM 1364 O GLU A 128 -4.559 -12.405 5.201 1.00 0.08 O ATOM 1365 CB GLU A 128 -7.234 -11.147 6.608 1.00 0.08 C ATOM 1366 CG GLU A 128 -6.312 -10.397 7.572 1.00 0.40 C ATOM 1367 CD GLU A 128 -6.561 -10.884 9.001 1.00 1.20 C ATOM 1368 OE1 GLU A 128 -6.625 -12.087 9.194 1.00 1.86 O ATOM 1369 OE2 GLU A 128 -6.684 -10.045 9.878 1.00 1.83 O ATOM 0 H GLU A 128 -8.630 -11.292 4.541 1.00 0.07 H new ATOM 0 HA GLU A 128 -5.976 -10.282 5.088 1.00 0.07 H new ATOM 0 HB2 GLU A 128 -8.212 -10.667 6.575 1.00 0.08 H new ATOM 0 HB3 GLU A 128 -7.391 -12.167 6.958 1.00 0.08 H new ATOM 0 HG2 GLU A 128 -5.270 -10.561 7.297 1.00 0.40 H new ATOM 0 HG3 GLU A 128 -6.494 -9.324 7.505 1.00 0.40 H new ATOM 1376 N GLN A 129 -6.387 -13.529 4.732 1.00 0.13 N ATOM 1377 CA GLN A 129 -5.622 -14.795 4.557 1.00 0.16 C ATOM 1378 C GLN A 129 -4.540 -14.600 3.493 1.00 0.17 C ATOM 1379 O GLN A 129 -3.374 -14.846 3.728 1.00 0.20 O ATOM 1380 CB GLN A 129 -6.574 -15.909 4.117 1.00 0.21 C ATOM 1381 CG GLN A 129 -6.037 -17.259 4.596 1.00 0.95 C ATOM 1382 CD GLN A 129 -7.205 -18.156 5.008 1.00 1.45 C ATOM 1383 OE1 GLN A 129 -8.327 -17.940 4.595 1.00 2.16 O ATOM 1384 NE2 GLN A 129 -6.988 -19.162 5.811 1.00 2.05 N ATOM 0 H GLN A 129 -7.394 -13.608 4.589 1.00 0.13 H new ATOM 0 HA GLN A 129 -5.154 -15.067 5.503 1.00 0.16 H new ATOM 0 HB2 GLN A 129 -7.569 -15.735 4.528 1.00 0.21 H new ATOM 0 HB3 GLN A 129 -6.673 -15.910 3.031 1.00 0.21 H new ATOM 0 HG2 GLN A 129 -5.461 -17.735 3.803 1.00 0.95 H new ATOM 0 HG3 GLN A 129 -5.361 -17.115 5.438 1.00 0.95 H new ATOM 0 HE21 GLN A 129 -6.046 -19.344 6.158 1.00 2.05 H new ATOM 0 HE22 GLN A 129 -7.760 -19.766 6.091 1.00 2.05 H new ATOM 1393 N VAL A 130 -4.916 -14.160 2.324 1.00 0.16 N ATOM 1394 CA VAL A 130 -3.906 -13.951 1.249 1.00 0.18 C ATOM 1395 C VAL A 130 -3.063 -12.716 1.571 1.00 0.16 C ATOM 1396 O VAL A 130 -1.903 -12.638 1.220 1.00 0.17 O ATOM 1397 CB VAL A 130 -4.621 -13.756 -0.089 1.00 0.21 C ATOM 1398 CG1 VAL A 130 -3.588 -13.645 -1.211 1.00 0.23 C ATOM 1399 CG2 VAL A 130 -5.528 -14.959 -0.355 1.00 0.24 C ATOM 0 H VAL A 130 -5.877 -13.936 2.067 1.00 0.16 H new ATOM 0 HA VAL A 130 -3.254 -14.822 1.186 1.00 0.18 H new ATOM 0 HB VAL A 130 -5.217 -12.844 -0.053 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -4.099 -13.506 -2.164 1.00 0.23 H new ATOM 0 HG12 VAL A 130 -2.935 -12.793 -1.022 1.00 0.23 H new ATOM 0 HG13 VAL A 130 -2.992 -14.557 -1.249 1.00 0.23 H new ATOM 0 HG21 VAL A 130 -6.040 -14.825 -1.308 1.00 0.24 H new ATOM 0 HG22 VAL A 130 -4.926 -15.867 -0.391 1.00 0.24 H new ATOM 0 HG23 VAL A 130 -6.265 -15.043 0.444 1.00 0.24 H new ATOM 1409 N VAL A 131 -3.632 -11.749 2.239 1.00 0.15 N ATOM 1410 CA VAL A 131 -2.851 -10.527 2.581 1.00 0.16 C ATOM 1411 C VAL A 131 -1.779 -10.896 3.607 1.00 0.14 C ATOM 1412 O VAL A 131 -0.622 -10.551 3.462 1.00 0.15 O ATOM 1413 CB VAL A 131 -3.782 -9.467 3.172 1.00 0.18 C ATOM 1414 CG1 VAL A 131 -2.973 -8.509 4.049 1.00 0.24 C ATOM 1415 CG2 VAL A 131 -4.443 -8.682 2.037 1.00 0.22 C ATOM 0 H VAL A 131 -4.600 -11.752 2.561 1.00 0.15 H new ATOM 0 HA VAL A 131 -2.382 -10.127 1.682 1.00 0.16 H new ATOM 0 HB VAL A 131 -4.549 -9.952 3.776 1.00 0.18 H new ATOM 0 HG11 VAL A 131 -3.636 -7.753 4.470 1.00 0.24 H new ATOM 0 HG12 VAL A 131 -2.499 -9.067 4.857 1.00 0.24 H new ATOM 0 HG13 VAL A 131 -2.206 -8.023 3.446 1.00 0.24 H new ATOM 0 HG21 VAL A 131 -5.107 -7.926 2.456 1.00 0.22 H new ATOM 0 HG22 VAL A 131 -3.675 -8.197 1.435 1.00 0.22 H new ATOM 0 HG23 VAL A 131 -5.019 -9.363 1.410 1.00 0.22 H new ATOM 1425 N ASN A 132 -2.153 -11.601 4.641 1.00 0.15 N ATOM 1426 CA ASN A 132 -1.151 -11.996 5.668 1.00 0.17 C ATOM 1427 C ASN A 132 -0.019 -12.756 4.979 1.00 0.17 C ATOM 1428 O ASN A 132 1.130 -12.664 5.362 1.00 0.18 O ATOM 1429 CB ASN A 132 -1.813 -12.896 6.714 1.00 0.22 C ATOM 1430 CG ASN A 132 -1.053 -12.785 8.037 1.00 0.78 C ATOM 1431 OD1 ASN A 132 0.004 -12.188 8.095 1.00 1.53 O ATOM 1432 ND2 ASN A 132 -1.549 -13.339 9.110 1.00 1.49 N ATOM 0 H ASN A 132 -3.106 -11.919 4.817 1.00 0.15 H new ATOM 0 HA ASN A 132 -0.756 -11.109 6.163 1.00 0.17 H new ATOM 0 HB2 ASN A 132 -2.854 -12.604 6.855 1.00 0.22 H new ATOM 0 HB3 ASN A 132 -1.816 -13.930 6.370 1.00 0.22 H new ATOM 0 HD21 ASN A 132 -1.049 -13.271 9.997 1.00 1.49 H new ATOM 0 HD22 ASN A 132 -2.436 -13.840 9.062 1.00 1.49 H new ATOM 1439 N GLU A 133 -0.339 -13.502 3.957 1.00 0.17 N ATOM 1440 CA GLU A 133 0.713 -14.265 3.232 1.00 0.21 C ATOM 1441 C GLU A 133 1.781 -13.288 2.738 1.00 0.20 C ATOM 1442 O GLU A 133 2.947 -13.618 2.648 1.00 0.24 O ATOM 1443 CB GLU A 133 0.086 -14.990 2.038 1.00 0.25 C ATOM 1444 CG GLU A 133 -0.118 -16.466 2.385 1.00 0.33 C ATOM 1445 CD GLU A 133 1.240 -17.129 2.618 1.00 0.37 C ATOM 1446 OE1 GLU A 133 2.242 -16.510 2.301 1.00 1.12 O ATOM 1447 OE2 GLU A 133 1.256 -18.246 3.110 1.00 1.10 O ATOM 0 H GLU A 133 -1.285 -13.615 3.593 1.00 0.17 H new ATOM 0 HA GLU A 133 1.166 -14.999 3.899 1.00 0.21 H new ATOM 0 HB2 GLU A 133 -0.869 -14.531 1.781 1.00 0.25 H new ATOM 0 HB3 GLU A 133 0.730 -14.897 1.164 1.00 0.25 H new ATOM 0 HG2 GLU A 133 -0.737 -16.558 3.277 1.00 0.33 H new ATOM 0 HG3 GLU A 133 -0.647 -16.971 1.576 1.00 0.33 H new ATOM 1454 N LEU A 134 1.388 -12.084 2.421 1.00 0.17 N ATOM 1455 CA LEU A 134 2.373 -11.078 1.936 1.00 0.20 C ATOM 1456 C LEU A 134 3.185 -10.559 3.124 1.00 0.18 C ATOM 1457 O LEU A 134 4.391 -10.422 3.054 1.00 0.21 O ATOM 1458 CB LEU A 134 1.631 -9.911 1.281 1.00 0.21 C ATOM 1459 CG LEU A 134 1.238 -10.290 -0.147 1.00 0.24 C ATOM 1460 CD1 LEU A 134 0.061 -9.424 -0.600 1.00 0.30 C ATOM 1461 CD2 LEU A 134 2.426 -10.055 -1.080 1.00 0.30 C ATOM 0 H LEU A 134 0.425 -11.754 2.478 1.00 0.17 H new ATOM 0 HA LEU A 134 3.039 -11.539 1.207 1.00 0.20 H new ATOM 0 HB2 LEU A 134 0.742 -9.662 1.860 1.00 0.21 H new ATOM 0 HB3 LEU A 134 2.264 -9.024 1.271 1.00 0.21 H new ATOM 0 HG LEU A 134 0.950 -11.341 -0.177 1.00 0.24 H new ATOM 0 HD11 LEU A 134 -0.219 -9.694 -1.618 1.00 0.30 H new ATOM 0 HD12 LEU A 134 -0.787 -9.586 0.065 1.00 0.30 H new ATOM 0 HD13 LEU A 134 0.350 -8.373 -0.570 1.00 0.30 H new ATOM 0 HD21 LEU A 134 2.148 -10.325 -2.099 1.00 0.30 H new ATOM 0 HD22 LEU A 134 2.711 -9.003 -1.048 1.00 0.30 H new ATOM 0 HD23 LEU A 134 3.268 -10.669 -0.759 1.00 0.30 H new ATOM 1473 N PHE A 135 2.531 -10.269 4.216 1.00 0.17 N ATOM 1474 CA PHE A 135 3.261 -9.758 5.410 1.00 0.18 C ATOM 1475 C PHE A 135 3.710 -10.937 6.275 1.00 0.24 C ATOM 1476 O PHE A 135 3.432 -10.994 7.457 1.00 0.62 O ATOM 1477 CB PHE A 135 2.334 -8.854 6.226 1.00 0.16 C ATOM 1478 CG PHE A 135 2.184 -7.524 5.526 1.00 0.19 C ATOM 1479 CD1 PHE A 135 3.298 -6.694 5.356 1.00 1.22 C ATOM 1480 CD2 PHE A 135 0.931 -7.122 5.049 1.00 1.19 C ATOM 1481 CE1 PHE A 135 3.159 -5.461 4.707 1.00 1.27 C ATOM 1482 CE2 PHE A 135 0.792 -5.889 4.400 1.00 1.19 C ATOM 1483 CZ PHE A 135 1.906 -5.059 4.230 1.00 0.37 C ATOM 0 H PHE A 135 1.522 -10.364 4.332 1.00 0.17 H new ATOM 0 HA PHE A 135 4.133 -9.189 5.087 1.00 0.18 H new ATOM 0 HB2 PHE A 135 1.359 -9.327 6.344 1.00 0.16 H new ATOM 0 HB3 PHE A 135 2.740 -8.707 7.227 1.00 0.16 H new ATOM 0 HD1 PHE A 135 4.264 -7.004 5.725 1.00 1.22 H new ATOM 0 HD2 PHE A 135 0.072 -7.763 5.181 1.00 1.19 H new ATOM 0 HE1 PHE A 135 4.018 -4.820 4.575 1.00 1.27 H new ATOM 0 HE2 PHE A 135 -0.174 -5.579 4.031 1.00 1.19 H new ATOM 0 HZ PHE A 135 1.799 -4.108 3.730 1.00 0.37 H new ATOM 1493 N ARG A 136 4.404 -11.880 5.698 1.00 0.25 N ATOM 1494 CA ARG A 136 4.870 -13.053 6.490 1.00 0.21 C ATOM 1495 C ARG A 136 6.398 -13.103 6.477 1.00 0.25 C ATOM 1496 O ARG A 136 7.033 -13.241 7.503 1.00 0.26 O ATOM 1497 CB ARG A 136 4.312 -14.338 5.874 1.00 0.27 C ATOM 1498 CG ARG A 136 3.933 -15.316 6.987 1.00 0.75 C ATOM 1499 CD ARG A 136 3.935 -16.743 6.436 1.00 1.00 C ATOM 1500 NE ARG A 136 3.527 -17.691 7.510 1.00 1.48 N ATOM 1501 CZ ARG A 136 4.206 -18.789 7.704 1.00 2.05 C ATOM 1502 NH1 ARG A 136 4.286 -19.682 6.755 1.00 2.85 N ATOM 1503 NH2 ARG A 136 4.804 -18.994 8.845 1.00 2.56 N ATOM 0 H ARG A 136 4.668 -11.889 4.713 1.00 0.25 H new ATOM 0 HA ARG A 136 4.519 -12.960 7.518 1.00 0.21 H new ATOM 0 HB2 ARG A 136 3.439 -14.111 5.262 1.00 0.27 H new ATOM 0 HB3 ARG A 136 5.054 -14.790 5.216 1.00 0.27 H new ATOM 0 HG2 ARG A 136 4.638 -15.233 7.814 1.00 0.75 H new ATOM 0 HG3 ARG A 136 2.948 -15.069 7.383 1.00 0.75 H new ATOM 0 HD2 ARG A 136 3.251 -16.819 5.591 1.00 1.00 H new ATOM 0 HD3 ARG A 136 4.928 -17.000 6.067 1.00 1.00 H new ATOM 0 HE ARG A 136 2.717 -17.482 8.094 1.00 1.48 H new ATOM 0 HH11 ARG A 136 3.818 -19.521 5.863 1.00 2.85 H new ATOM 0 HH12 ARG A 136 4.816 -20.540 6.906 1.00 2.85 H new ATOM 0 HH21 ARG A 136 4.741 -18.296 9.586 1.00 2.56 H new ATOM 0 HH22 ARG A 136 5.334 -19.852 8.996 1.00 2.56 H new ATOM 1517 N ASP A 137 6.994 -12.991 5.322 1.00 0.33 N ATOM 1518 CA ASP A 137 8.482 -13.032 5.244 1.00 0.41 C ATOM 1519 C ASP A 137 9.069 -11.958 6.164 1.00 0.37 C ATOM 1520 O ASP A 137 10.154 -12.104 6.691 1.00 0.43 O ATOM 1521 CB ASP A 137 8.925 -12.767 3.804 1.00 0.50 C ATOM 1522 CG ASP A 137 9.413 -14.072 3.171 1.00 1.25 C ATOM 1523 OD1 ASP A 137 8.690 -15.051 3.249 1.00 1.94 O ATOM 1524 OD2 ASP A 137 10.501 -14.069 2.620 1.00 1.87 O ATOM 0 H ASP A 137 6.515 -12.873 4.429 1.00 0.33 H new ATOM 0 HA ASP A 137 8.836 -14.014 5.558 1.00 0.41 H new ATOM 0 HB2 ASP A 137 8.096 -12.358 3.227 1.00 0.50 H new ATOM 0 HB3 ASP A 137 9.721 -12.023 3.788 1.00 0.50 H new ATOM 1529 N GLY A 138 8.360 -10.880 6.360 1.00 0.29 N ATOM 1530 CA GLY A 138 8.877 -9.798 7.244 1.00 0.26 C ATOM 1531 C GLY A 138 8.344 -8.451 6.758 1.00 0.22 C ATOM 1532 O GLY A 138 8.550 -8.064 5.625 1.00 0.22 O ATOM 0 H GLY A 138 7.445 -10.702 5.946 1.00 0.29 H new ATOM 0 HA2 GLY A 138 8.567 -9.975 8.274 1.00 0.26 H new ATOM 0 HA3 GLY A 138 9.967 -9.795 7.235 1.00 0.26 H new ATOM 1536 N VAL A 139 7.658 -7.732 7.603 1.00 0.19 N ATOM 1537 CA VAL A 139 7.113 -6.411 7.183 1.00 0.15 C ATOM 1538 C VAL A 139 8.248 -5.536 6.651 1.00 0.14 C ATOM 1539 O VAL A 139 9.197 -5.242 7.348 1.00 0.14 O ATOM 1540 CB VAL A 139 6.458 -5.720 8.380 1.00 0.13 C ATOM 1541 CG1 VAL A 139 5.846 -4.393 7.930 1.00 0.11 C ATOM 1542 CG2 VAL A 139 5.359 -6.619 8.951 1.00 0.14 C ATOM 0 H VAL A 139 7.452 -8.002 8.565 1.00 0.19 H new ATOM 0 HA VAL A 139 6.370 -6.561 6.400 1.00 0.15 H new ATOM 0 HB VAL A 139 7.210 -5.533 9.147 1.00 0.13 H new ATOM 0 HG11 VAL A 139 5.379 -3.900 8.783 1.00 0.11 H new ATOM 0 HG12 VAL A 139 6.628 -3.751 7.523 1.00 0.11 H new ATOM 0 HG13 VAL A 139 5.095 -4.580 7.163 1.00 0.11 H new ATOM 0 HG21 VAL A 139 4.892 -6.126 9.804 1.00 0.14 H new ATOM 0 HG22 VAL A 139 4.607 -6.806 8.184 1.00 0.14 H new ATOM 0 HG23 VAL A 139 5.794 -7.566 9.272 1.00 0.14 H new ATOM 1552 N ASN A 140 8.154 -5.118 5.420 1.00 0.14 N ATOM 1553 CA ASN A 140 9.225 -4.260 4.840 1.00 0.13 C ATOM 1554 C ASN A 140 8.585 -3.093 4.085 1.00 0.11 C ATOM 1555 O ASN A 140 7.389 -3.058 3.875 1.00 0.14 O ATOM 1556 CB ASN A 140 10.081 -5.087 3.879 1.00 0.16 C ATOM 1557 CG ASN A 140 11.545 -5.026 4.320 1.00 0.65 C ATOM 1558 OD1 ASN A 140 12.123 -3.961 4.401 1.00 1.65 O ATOM 1559 ND2 ASN A 140 12.173 -6.133 4.611 1.00 0.86 N ATOM 0 H ASN A 140 7.381 -5.333 4.790 1.00 0.14 H new ATOM 0 HA ASN A 140 9.856 -3.873 5.640 1.00 0.13 H new ATOM 0 HB2 ASN A 140 9.737 -6.121 3.866 1.00 0.16 H new ATOM 0 HB3 ASN A 140 9.980 -4.704 2.863 1.00 0.16 H new ATOM 0 HD21 ASN A 140 13.149 -6.103 4.906 1.00 0.86 H new ATOM 0 HD22 ASN A 140 11.688 -7.028 4.543 1.00 0.86 H new ATOM 1566 N TRP A 141 9.372 -2.137 3.677 1.00 0.12 N ATOM 1567 CA TRP A 141 8.810 -0.971 2.940 1.00 0.11 C ATOM 1568 C TRP A 141 8.156 -1.445 1.640 1.00 0.13 C ATOM 1569 O TRP A 141 7.042 -1.074 1.327 1.00 0.15 O ATOM 1570 CB TRP A 141 9.932 0.023 2.634 1.00 0.11 C ATOM 1571 CG TRP A 141 10.337 0.707 3.903 1.00 0.10 C ATOM 1572 CD1 TRP A 141 11.608 0.814 4.354 1.00 0.11 C ATOM 1573 CD2 TRP A 141 9.494 1.371 4.894 1.00 0.10 C ATOM 1574 NE1 TRP A 141 11.601 1.500 5.555 1.00 0.12 N ATOM 1575 CE2 TRP A 141 10.323 1.864 5.930 1.00 0.11 C ATOM 1576 CE3 TRP A 141 8.106 1.593 4.995 1.00 0.10 C ATOM 1577 CZ2 TRP A 141 9.797 2.551 7.025 1.00 0.13 C ATOM 1578 CZ3 TRP A 141 7.574 2.283 6.097 1.00 0.12 C ATOM 1579 CH2 TRP A 141 8.418 2.760 7.110 1.00 0.13 C ATOM 0 H TRP A 141 10.381 -2.113 3.822 1.00 0.12 H new ATOM 0 HA TRP A 141 8.054 -0.481 3.554 1.00 0.11 H new ATOM 0 HB2 TRP A 141 10.785 -0.495 2.197 1.00 0.11 H new ATOM 0 HB3 TRP A 141 9.596 0.757 1.902 1.00 0.11 H new ATOM 0 HD1 TRP A 141 12.485 0.427 3.857 1.00 0.11 H new ATOM 0 HE1 TRP A 141 12.438 1.711 6.098 1.00 0.12 H new ATOM 0 HE3 TRP A 141 7.447 1.230 4.220 1.00 0.10 H new ATOM 0 HZ2 TRP A 141 10.451 2.919 7.802 1.00 0.13 H new ATOM 0 HZ3 TRP A 141 6.509 2.447 6.164 1.00 0.12 H new ATOM 0 HH2 TRP A 141 8.003 3.289 7.955 1.00 0.13 H new ATOM 1590 N GLY A 142 8.831 -2.262 0.883 1.00 0.19 N ATOM 1591 CA GLY A 142 8.232 -2.754 -0.389 1.00 0.22 C ATOM 1592 C GLY A 142 6.963 -3.537 -0.071 1.00 0.19 C ATOM 1593 O GLY A 142 5.948 -3.383 -0.721 1.00 0.21 O ATOM 0 H GLY A 142 9.768 -2.610 1.088 1.00 0.19 H new ATOM 0 HA2 GLY A 142 8.002 -1.915 -1.046 1.00 0.22 H new ATOM 0 HA3 GLY A 142 8.943 -3.388 -0.919 1.00 0.22 H new ATOM 1597 N ARG A 143 7.010 -4.374 0.930 1.00 0.20 N ATOM 1598 CA ARG A 143 5.803 -5.163 1.294 1.00 0.20 C ATOM 1599 C ARG A 143 4.642 -4.199 1.538 1.00 0.17 C ATOM 1600 O ARG A 143 3.510 -4.466 1.188 1.00 0.22 O ATOM 1601 CB ARG A 143 6.078 -5.960 2.568 1.00 0.24 C ATOM 1602 CG ARG A 143 6.047 -7.458 2.257 1.00 0.43 C ATOM 1603 CD ARG A 143 7.317 -8.112 2.797 1.00 0.46 C ATOM 1604 NE ARG A 143 7.744 -9.205 1.880 1.00 0.74 N ATOM 1605 CZ ARG A 143 9.008 -9.514 1.779 1.00 0.54 C ATOM 1606 NH1 ARG A 143 9.767 -9.516 2.841 1.00 1.30 N ATOM 1607 NH2 ARG A 143 9.514 -9.820 0.615 1.00 1.23 N ATOM 0 H ARG A 143 7.832 -4.544 1.510 1.00 0.20 H new ATOM 0 HA ARG A 143 5.553 -5.852 0.487 1.00 0.20 H new ATOM 0 HB2 ARG A 143 7.049 -5.684 2.978 1.00 0.24 H new ATOM 0 HB3 ARG A 143 5.332 -5.721 3.326 1.00 0.24 H new ATOM 0 HG2 ARG A 143 5.168 -7.917 2.709 1.00 0.43 H new ATOM 0 HG3 ARG A 143 5.972 -7.616 1.181 1.00 0.43 H new ATOM 0 HD2 ARG A 143 8.110 -7.370 2.889 1.00 0.46 H new ATOM 0 HD3 ARG A 143 7.137 -8.511 3.795 1.00 0.46 H new ATOM 0 HE ARG A 143 7.049 -9.712 1.331 1.00 0.74 H new ATOM 0 HH11 ARG A 143 9.372 -9.276 3.750 1.00 1.30 H new ATOM 0 HH12 ARG A 143 10.755 -9.758 2.761 1.00 1.30 H new ATOM 0 HH21 ARG A 143 8.921 -9.818 -0.215 1.00 1.23 H new ATOM 0 HH22 ARG A 143 10.502 -10.061 0.536 1.00 1.23 H new ATOM 1621 N ILE A 144 4.923 -3.072 2.136 1.00 0.15 N ATOM 1622 CA ILE A 144 3.848 -2.077 2.405 1.00 0.15 C ATOM 1623 C ILE A 144 3.382 -1.466 1.081 1.00 0.16 C ATOM 1624 O ILE A 144 2.254 -1.034 0.950 1.00 0.18 O ATOM 1625 CB ILE A 144 4.394 -0.973 3.314 1.00 0.18 C ATOM 1626 CG1 ILE A 144 4.464 -1.488 4.754 1.00 0.21 C ATOM 1627 CG2 ILE A 144 3.469 0.243 3.252 1.00 0.22 C ATOM 1628 CD1 ILE A 144 5.480 -0.660 5.544 1.00 0.20 C ATOM 0 H ILE A 144 5.854 -2.798 2.450 1.00 0.15 H new ATOM 0 HA ILE A 144 3.007 -2.568 2.895 1.00 0.15 H new ATOM 0 HB ILE A 144 5.392 -0.687 2.980 1.00 0.18 H new ATOM 0 HG12 ILE A 144 3.482 -1.422 5.223 1.00 0.21 H new ATOM 0 HG13 ILE A 144 4.751 -2.539 4.762 1.00 0.21 H new ATOM 0 HG21 ILE A 144 3.858 1.029 3.899 1.00 0.22 H new ATOM 0 HG22 ILE A 144 3.418 0.609 2.227 1.00 0.22 H new ATOM 0 HG23 ILE A 144 2.471 -0.042 3.586 1.00 0.22 H new ATOM 0 HD11 ILE A 144 5.530 -1.027 6.569 1.00 0.20 H new ATOM 0 HD12 ILE A 144 6.462 -0.749 5.079 1.00 0.20 H new ATOM 0 HD13 ILE A 144 5.173 0.386 5.547 1.00 0.20 H new ATOM 1640 N VAL A 145 4.240 -1.430 0.096 1.00 0.16 N ATOM 1641 CA VAL A 145 3.845 -0.852 -1.216 1.00 0.17 C ATOM 1642 C VAL A 145 3.061 -1.901 -2.001 1.00 0.15 C ATOM 1643 O VAL A 145 2.188 -1.583 -2.785 1.00 0.16 O ATOM 1644 CB VAL A 145 5.098 -0.459 -2.001 1.00 0.19 C ATOM 1645 CG1 VAL A 145 4.845 -0.648 -3.498 1.00 0.42 C ATOM 1646 CG2 VAL A 145 5.435 1.008 -1.724 1.00 0.48 C ATOM 0 H VAL A 145 5.198 -1.777 0.146 1.00 0.16 H new ATOM 0 HA VAL A 145 3.228 0.033 -1.059 1.00 0.17 H new ATOM 0 HB VAL A 145 5.931 -1.089 -1.691 1.00 0.19 H new ATOM 0 HG11 VAL A 145 5.738 -0.368 -4.056 1.00 0.42 H new ATOM 0 HG12 VAL A 145 4.605 -1.692 -3.697 1.00 0.42 H new ATOM 0 HG13 VAL A 145 4.011 -0.019 -3.808 1.00 0.42 H new ATOM 0 HG21 VAL A 145 6.328 1.288 -2.283 1.00 0.48 H new ATOM 0 HG22 VAL A 145 4.601 1.638 -2.033 1.00 0.48 H new ATOM 0 HG23 VAL A 145 5.617 1.145 -0.658 1.00 0.48 H new ATOM 1656 N ALA A 146 3.365 -3.154 -1.795 1.00 0.15 N ATOM 1657 CA ALA A 146 2.637 -4.223 -2.527 1.00 0.15 C ATOM 1658 C ALA A 146 1.242 -4.387 -1.923 1.00 0.13 C ATOM 1659 O ALA A 146 0.265 -4.551 -2.626 1.00 0.21 O ATOM 1660 CB ALA A 146 3.406 -5.541 -2.409 1.00 0.17 C ATOM 0 H ALA A 146 4.086 -3.481 -1.151 1.00 0.15 H new ATOM 0 HA ALA A 146 2.550 -3.951 -3.579 1.00 0.15 H new ATOM 0 HB1 ALA A 146 2.871 -6.324 -2.946 1.00 0.17 H new ATOM 0 HB2 ALA A 146 4.401 -5.421 -2.838 1.00 0.17 H new ATOM 0 HB3 ALA A 146 3.495 -5.818 -1.358 1.00 0.17 H new ATOM 1666 N PHE A 147 1.142 -4.340 -0.623 1.00 0.15 N ATOM 1667 CA PHE A 147 -0.189 -4.490 0.027 1.00 0.13 C ATOM 1668 C PHE A 147 -1.048 -3.265 -0.295 1.00 0.12 C ATOM 1669 O PHE A 147 -2.258 -3.347 -0.370 1.00 0.13 O ATOM 1670 CB PHE A 147 -0.007 -4.609 1.542 1.00 0.15 C ATOM 1671 CG PHE A 147 -0.951 -3.662 2.243 1.00 0.28 C ATOM 1672 CD1 PHE A 147 -0.549 -2.349 2.516 1.00 1.38 C ATOM 1673 CD2 PHE A 147 -2.227 -4.097 2.621 1.00 1.16 C ATOM 1674 CE1 PHE A 147 -1.424 -1.471 3.167 1.00 1.52 C ATOM 1675 CE2 PHE A 147 -3.101 -3.219 3.273 1.00 1.20 C ATOM 1676 CZ PHE A 147 -2.699 -1.905 3.546 1.00 0.77 C ATOM 0 H PHE A 147 1.925 -4.204 0.017 1.00 0.15 H new ATOM 0 HA PHE A 147 -0.681 -5.388 -0.347 1.00 0.13 H new ATOM 0 HB2 PHE A 147 -0.200 -5.633 1.862 1.00 0.15 H new ATOM 0 HB3 PHE A 147 1.023 -4.379 1.814 1.00 0.15 H new ATOM 0 HD1 PHE A 147 0.435 -2.014 2.225 1.00 1.38 H new ATOM 0 HD2 PHE A 147 -2.537 -5.110 2.410 1.00 1.16 H new ATOM 0 HE1 PHE A 147 -1.114 -0.458 3.377 1.00 1.52 H new ATOM 0 HE2 PHE A 147 -4.085 -3.555 3.565 1.00 1.20 H new ATOM 0 HZ PHE A 147 -3.373 -1.227 4.049 1.00 0.77 H new ATOM 1686 N PHE A 148 -0.433 -2.128 -0.489 1.00 0.12 N ATOM 1687 CA PHE A 148 -1.217 -0.904 -0.808 1.00 0.11 C ATOM 1688 C PHE A 148 -1.792 -1.020 -2.221 1.00 0.11 C ATOM 1689 O PHE A 148 -2.991 -0.997 -2.418 1.00 0.16 O ATOM 1690 CB PHE A 148 -0.300 0.318 -0.730 1.00 0.11 C ATOM 1691 CG PHE A 148 -0.737 1.202 0.412 1.00 0.10 C ATOM 1692 CD1 PHE A 148 -1.835 2.055 0.254 1.00 1.23 C ATOM 1693 CD2 PHE A 148 -0.043 1.170 1.627 1.00 1.20 C ATOM 1694 CE1 PHE A 148 -2.239 2.877 1.311 1.00 1.23 C ATOM 1695 CE2 PHE A 148 -0.448 1.992 2.684 1.00 1.20 C ATOM 1696 CZ PHE A 148 -1.546 2.846 2.526 1.00 0.10 C ATOM 0 H PHE A 148 0.577 -1.996 -0.440 1.00 0.12 H new ATOM 0 HA PHE A 148 -2.032 -0.796 -0.093 1.00 0.11 H new ATOM 0 HB2 PHE A 148 0.733 0.002 -0.585 1.00 0.11 H new ATOM 0 HB3 PHE A 148 -0.335 0.873 -1.668 1.00 0.11 H new ATOM 0 HD1 PHE A 148 -2.370 2.079 -0.684 1.00 1.23 H new ATOM 0 HD2 PHE A 148 0.804 0.511 1.748 1.00 1.20 H new ATOM 0 HE1 PHE A 148 -3.086 3.536 1.189 1.00 1.23 H new ATOM 0 HE2 PHE A 148 0.087 1.968 3.622 1.00 1.20 H new ATOM 0 HZ PHE A 148 -1.858 3.481 3.342 1.00 0.10 H new ATOM 1706 N SER A 149 -0.946 -1.144 -3.207 1.00 0.09 N ATOM 1707 CA SER A 149 -1.443 -1.262 -4.608 1.00 0.09 C ATOM 1708 C SER A 149 -2.352 -2.487 -4.726 1.00 0.09 C ATOM 1709 O SER A 149 -3.314 -2.489 -5.468 1.00 0.10 O ATOM 1710 CB SER A 149 -0.255 -1.417 -5.557 1.00 0.10 C ATOM 1711 OG SER A 149 0.028 -0.163 -6.164 1.00 0.51 O ATOM 0 H SER A 149 0.068 -1.169 -3.103 1.00 0.09 H new ATOM 0 HA SER A 149 -2.005 -0.366 -4.871 1.00 0.09 H new ATOM 0 HB2 SER A 149 0.618 -1.775 -5.010 1.00 0.10 H new ATOM 0 HB3 SER A 149 -0.480 -2.161 -6.321 1.00 0.10 H new ATOM 0 HG SER A 149 -0.058 -0.244 -7.137 1.00 0.51 H new ATOM 1717 N PHE A 150 -2.054 -3.530 -4.002 1.00 0.09 N ATOM 1718 CA PHE A 150 -2.899 -4.755 -4.074 1.00 0.09 C ATOM 1719 C PHE A 150 -4.332 -4.413 -3.659 1.00 0.08 C ATOM 1720 O PHE A 150 -5.285 -4.797 -4.308 1.00 0.08 O ATOM 1721 CB PHE A 150 -2.332 -5.820 -3.133 1.00 0.10 C ATOM 1722 CG PHE A 150 -3.238 -7.028 -3.128 1.00 0.10 C ATOM 1723 CD1 PHE A 150 -3.782 -7.502 -4.328 1.00 0.13 C ATOM 1724 CD2 PHE A 150 -3.532 -7.676 -1.922 1.00 0.10 C ATOM 1725 CE1 PHE A 150 -4.620 -8.623 -4.321 1.00 0.14 C ATOM 1726 CE2 PHE A 150 -4.370 -8.797 -1.916 1.00 0.10 C ATOM 1727 CZ PHE A 150 -4.915 -9.271 -3.115 1.00 0.12 C ATOM 0 H PHE A 150 -1.261 -3.587 -3.363 1.00 0.09 H new ATOM 0 HA PHE A 150 -2.901 -5.137 -5.095 1.00 0.09 H new ATOM 0 HB2 PHE A 150 -1.330 -6.106 -3.453 1.00 0.10 H new ATOM 0 HB3 PHE A 150 -2.241 -5.417 -2.124 1.00 0.10 H new ATOM 0 HD1 PHE A 150 -3.555 -7.003 -5.258 1.00 0.13 H new ATOM 0 HD2 PHE A 150 -3.112 -7.311 -0.996 1.00 0.10 H new ATOM 0 HE1 PHE A 150 -5.040 -8.989 -5.247 1.00 0.14 H new ATOM 0 HE2 PHE A 150 -4.596 -9.297 -0.986 1.00 0.10 H new ATOM 0 HZ PHE A 150 -5.562 -10.136 -3.110 1.00 0.12 H new ATOM 1737 N GLY A 151 -4.493 -3.693 -2.583 1.00 0.08 N ATOM 1738 CA GLY A 151 -5.866 -3.328 -2.129 1.00 0.08 C ATOM 1739 C GLY A 151 -6.533 -2.442 -3.183 1.00 0.08 C ATOM 1740 O GLY A 151 -7.587 -2.760 -3.697 1.00 0.08 O ATOM 0 H GLY A 151 -3.734 -3.342 -1.999 1.00 0.08 H new ATOM 0 HA2 GLY A 151 -6.459 -4.228 -1.968 1.00 0.08 H new ATOM 0 HA3 GLY A 151 -5.818 -2.803 -1.175 1.00 0.08 H new ATOM 1744 N GLY A 152 -5.927 -1.331 -3.507 1.00 0.09 N ATOM 1745 CA GLY A 152 -6.523 -0.421 -4.527 1.00 0.10 C ATOM 1746 C GLY A 152 -6.816 -1.204 -5.808 1.00 0.10 C ATOM 1747 O GLY A 152 -7.749 -0.907 -6.528 1.00 0.11 O ATOM 0 H GLY A 152 -5.043 -1.014 -3.108 1.00 0.09 H new ATOM 0 HA2 GLY A 152 -7.442 0.021 -4.141 1.00 0.10 H new ATOM 0 HA3 GLY A 152 -5.839 0.400 -4.740 1.00 0.10 H new ATOM 1751 N ALA A 153 -6.030 -2.205 -6.099 1.00 0.10 N ATOM 1752 CA ALA A 153 -6.270 -3.003 -7.334 1.00 0.10 C ATOM 1753 C ALA A 153 -7.585 -3.771 -7.191 1.00 0.10 C ATOM 1754 O ALA A 153 -8.328 -3.934 -8.139 1.00 0.11 O ATOM 1755 CB ALA A 153 -5.121 -3.994 -7.536 1.00 0.11 C ATOM 0 H ALA A 153 -5.234 -2.504 -5.536 1.00 0.10 H new ATOM 0 HA ALA A 153 -6.327 -2.335 -8.194 1.00 0.10 H new ATOM 0 HB1 ALA A 153 -5.298 -4.577 -8.440 1.00 0.11 H new ATOM 0 HB2 ALA A 153 -4.183 -3.448 -7.634 1.00 0.11 H new ATOM 0 HB3 ALA A 153 -5.063 -4.664 -6.678 1.00 0.11 H new ATOM 1761 N LEU A 154 -7.879 -4.244 -6.011 1.00 0.09 N ATOM 1762 CA LEU A 154 -9.146 -5.000 -5.804 1.00 0.09 C ATOM 1763 C LEU A 154 -10.334 -4.043 -5.908 1.00 0.09 C ATOM 1764 O LEU A 154 -11.400 -4.408 -6.364 1.00 0.10 O ATOM 1765 CB LEU A 154 -9.131 -5.646 -4.417 1.00 0.09 C ATOM 1766 CG LEU A 154 -9.601 -7.097 -4.523 1.00 0.10 C ATOM 1767 CD1 LEU A 154 -8.493 -7.948 -5.146 1.00 0.10 C ATOM 1768 CD2 LEU A 154 -9.926 -7.629 -3.125 1.00 0.11 C ATOM 0 H LEU A 154 -7.296 -4.139 -5.181 1.00 0.09 H new ATOM 0 HA LEU A 154 -9.237 -5.774 -6.566 1.00 0.09 H new ATOM 0 HB2 LEU A 154 -8.126 -5.608 -3.998 1.00 0.09 H new ATOM 0 HB3 LEU A 154 -9.780 -5.091 -3.739 1.00 0.09 H new ATOM 0 HG LEU A 154 -10.492 -7.146 -5.149 1.00 0.10 H new ATOM 0 HD11 LEU A 154 -8.828 -8.983 -5.222 1.00 0.10 H new ATOM 0 HD12 LEU A 154 -8.259 -7.569 -6.141 1.00 0.10 H new ATOM 0 HD13 LEU A 154 -7.602 -7.900 -4.520 1.00 0.10 H new ATOM 0 HD21 LEU A 154 -10.261 -8.664 -3.198 1.00 0.11 H new ATOM 0 HD22 LEU A 154 -9.034 -7.580 -2.501 1.00 0.11 H new ATOM 0 HD23 LEU A 154 -10.715 -7.023 -2.679 1.00 0.11 H new ATOM 1780 N CYS A 155 -10.161 -2.820 -5.487 1.00 0.09 N ATOM 1781 CA CYS A 155 -11.281 -1.840 -5.561 1.00 0.09 C ATOM 1782 C CYS A 155 -11.419 -1.328 -6.996 1.00 0.10 C ATOM 1783 O CYS A 155 -12.495 -1.315 -7.559 1.00 0.10 O ATOM 1784 CB CYS A 155 -10.992 -0.665 -4.626 1.00 0.09 C ATOM 1785 SG CYS A 155 -10.162 -1.268 -3.135 1.00 0.09 S ATOM 0 H CYS A 155 -9.292 -2.457 -5.095 1.00 0.09 H new ATOM 0 HA CYS A 155 -12.209 -2.326 -5.259 1.00 0.09 H new ATOM 0 HB2 CYS A 155 -10.366 0.070 -5.132 1.00 0.09 H new ATOM 0 HB3 CYS A 155 -11.921 -0.162 -4.359 1.00 0.09 H new ATOM 0 HG CYS A 155 -8.977 -1.705 -3.444 1.00 0.09 H new ATOM 1791 N VAL A 156 -10.338 -0.905 -7.592 1.00 0.10 N ATOM 1792 CA VAL A 156 -10.409 -0.394 -8.989 1.00 0.11 C ATOM 1793 C VAL A 156 -11.052 -1.453 -9.887 1.00 0.11 C ATOM 1794 O VAL A 156 -11.734 -1.140 -10.843 1.00 0.12 O ATOM 1795 CB VAL A 156 -8.998 -0.087 -9.494 1.00 0.11 C ATOM 1796 CG1 VAL A 156 -8.963 -0.204 -11.018 1.00 0.12 C ATOM 1797 CG2 VAL A 156 -8.610 1.336 -9.084 1.00 0.11 C ATOM 0 H VAL A 156 -9.409 -0.891 -7.171 1.00 0.10 H new ATOM 0 HA VAL A 156 -11.009 0.516 -9.012 1.00 0.11 H new ATOM 0 HB VAL A 156 -8.295 -0.797 -9.060 1.00 0.11 H new ATOM 0 HG11 VAL A 156 -7.957 0.015 -11.377 1.00 0.12 H new ATOM 0 HG12 VAL A 156 -9.241 -1.216 -11.312 1.00 0.12 H new ATOM 0 HG13 VAL A 156 -9.666 0.506 -11.454 1.00 0.12 H new ATOM 0 HG21 VAL A 156 -7.605 1.557 -9.443 1.00 0.11 H new ATOM 0 HG22 VAL A 156 -9.314 2.045 -9.519 1.00 0.11 H new ATOM 0 HG23 VAL A 156 -8.634 1.421 -7.998 1.00 0.11 H new ATOM 1807 N GLU A 157 -10.841 -2.706 -9.588 1.00 0.11 N ATOM 1808 CA GLU A 157 -11.440 -3.784 -10.424 1.00 0.11 C ATOM 1809 C GLU A 157 -12.912 -3.966 -10.046 1.00 0.11 C ATOM 1810 O GLU A 157 -13.788 -3.926 -10.886 1.00 0.12 O ATOM 1811 CB GLU A 157 -10.687 -5.094 -10.185 1.00 0.11 C ATOM 1812 CG GLU A 157 -9.690 -5.326 -11.322 1.00 0.12 C ATOM 1813 CD GLU A 157 -10.093 -6.575 -12.109 1.00 0.12 C ATOM 1814 OE1 GLU A 157 -10.929 -6.453 -12.988 1.00 0.13 O ATOM 1815 OE2 GLU A 157 -9.557 -7.632 -11.818 1.00 0.12 O ATOM 0 H GLU A 157 -10.279 -3.029 -8.800 1.00 0.11 H new ATOM 0 HA GLU A 157 -11.366 -3.509 -11.476 1.00 0.11 H new ATOM 0 HB2 GLU A 157 -10.163 -5.055 -9.230 1.00 0.11 H new ATOM 0 HB3 GLU A 157 -11.390 -5.925 -10.129 1.00 0.11 H new ATOM 0 HG2 GLU A 157 -9.667 -4.459 -11.982 1.00 0.12 H new ATOM 0 HG3 GLU A 157 -8.684 -5.446 -10.919 1.00 0.12 H new ATOM 1822 N SER A 158 -13.190 -4.166 -8.786 1.00 0.10 N ATOM 1823 CA SER A 158 -14.605 -4.349 -8.356 1.00 0.10 C ATOM 1824 C SER A 158 -15.436 -3.153 -8.821 1.00 0.11 C ATOM 1825 O SER A 158 -16.583 -3.289 -9.199 1.00 0.11 O ATOM 1826 CB SER A 158 -14.665 -4.450 -6.832 1.00 0.09 C ATOM 1827 OG SER A 158 -15.718 -5.330 -6.460 1.00 0.09 O ATOM 0 H SER A 158 -12.499 -4.210 -8.037 1.00 0.10 H new ATOM 0 HA SER A 158 -15.004 -5.263 -8.796 1.00 0.10 H new ATOM 0 HB2 SER A 158 -13.715 -4.816 -6.443 1.00 0.09 H new ATOM 0 HB3 SER A 158 -14.829 -3.464 -6.397 1.00 0.09 H new ATOM 0 HG SER A 158 -15.758 -5.398 -5.483 1.00 0.09 H new ATOM 1833 N VAL A 159 -14.866 -1.979 -8.796 1.00 0.11 N ATOM 1834 CA VAL A 159 -15.621 -0.773 -9.235 1.00 0.11 C ATOM 1835 C VAL A 159 -15.585 -0.675 -10.763 1.00 0.12 C ATOM 1836 O VAL A 159 -16.484 -0.139 -11.381 1.00 0.12 O ATOM 1837 CB VAL A 159 -14.981 0.477 -8.627 1.00 0.11 C ATOM 1838 CG1 VAL A 159 -15.838 1.701 -8.952 1.00 0.11 C ATOM 1839 CG2 VAL A 159 -14.886 0.313 -7.108 1.00 0.10 C ATOM 0 H VAL A 159 -13.909 -1.804 -8.490 1.00 0.11 H new ATOM 0 HA VAL A 159 -16.656 -0.850 -8.902 1.00 0.11 H new ATOM 0 HB VAL A 159 -13.983 0.612 -9.044 1.00 0.11 H new ATOM 0 HG11 VAL A 159 -15.381 2.591 -8.518 1.00 0.11 H new ATOM 0 HG12 VAL A 159 -15.908 1.819 -10.033 1.00 0.11 H new ATOM 0 HG13 VAL A 159 -16.837 1.567 -8.536 1.00 0.11 H new ATOM 0 HG21 VAL A 159 -14.430 1.203 -6.674 1.00 0.10 H new ATOM 0 HG22 VAL A 159 -15.885 0.178 -6.693 1.00 0.10 H new ATOM 0 HG23 VAL A 159 -14.275 -0.559 -6.874 1.00 0.10 H new ATOM 1849 N ASP A 160 -14.554 -1.188 -11.378 1.00 0.12 N ATOM 1850 CA ASP A 160 -14.464 -1.122 -12.865 1.00 0.13 C ATOM 1851 C ASP A 160 -15.684 -1.809 -13.482 1.00 0.13 C ATOM 1852 O ASP A 160 -16.199 -1.385 -14.497 1.00 0.14 O ATOM 1853 CB ASP A 160 -13.191 -1.833 -13.329 1.00 0.13 C ATOM 1854 CG ASP A 160 -13.186 -1.929 -14.856 1.00 0.14 C ATOM 1855 OD1 ASP A 160 -12.954 -0.915 -15.493 1.00 0.14 O ATOM 1856 OD2 ASP A 160 -13.415 -3.015 -15.362 1.00 0.14 O ATOM 0 H ASP A 160 -13.771 -1.650 -10.916 1.00 0.12 H new ATOM 0 HA ASP A 160 -14.436 -0.079 -13.181 1.00 0.13 H new ATOM 0 HB2 ASP A 160 -12.312 -1.288 -12.986 1.00 0.13 H new ATOM 0 HB3 ASP A 160 -13.139 -2.830 -12.891 1.00 0.13 H new ATOM 1861 N LYS A 161 -16.149 -2.868 -12.878 1.00 0.13 N ATOM 1862 CA LYS A 161 -17.335 -3.579 -13.432 1.00 0.13 C ATOM 1863 C LYS A 161 -18.608 -2.811 -13.067 1.00 0.13 C ATOM 1864 O LYS A 161 -19.188 -2.127 -13.887 1.00 0.14 O ATOM 1865 CB LYS A 161 -17.404 -4.992 -12.846 1.00 0.13 C ATOM 1866 CG LYS A 161 -17.341 -6.020 -13.978 1.00 0.14 C ATOM 1867 CD LYS A 161 -16.494 -7.215 -13.536 1.00 0.13 C ATOM 1868 CE LYS A 161 -16.950 -8.469 -14.285 1.00 0.14 C ATOM 1869 NZ LYS A 161 -17.196 -9.569 -13.311 1.00 0.14 N ATOM 0 H LYS A 161 -15.759 -3.271 -12.026 1.00 0.13 H new ATOM 0 HA LYS A 161 -17.247 -3.640 -14.517 1.00 0.13 H new ATOM 0 HB2 LYS A 161 -16.579 -5.149 -12.152 1.00 0.13 H new ATOM 0 HB3 LYS A 161 -18.326 -5.117 -12.279 1.00 0.13 H new ATOM 0 HG2 LYS A 161 -18.346 -6.350 -14.240 1.00 0.14 H new ATOM 0 HG3 LYS A 161 -16.911 -5.567 -14.871 1.00 0.14 H new ATOM 0 HD2 LYS A 161 -15.440 -7.022 -13.737 1.00 0.13 H new ATOM 0 HD3 LYS A 161 -16.591 -7.365 -12.461 1.00 0.13 H new ATOM 0 HE2 LYS A 161 -17.859 -8.258 -14.849 1.00 0.14 H new ATOM 0 HE3 LYS A 161 -16.190 -8.771 -15.006 1.00 0.14 H new ATOM 0 HZ1 LYS A 161 -17.506 -10.421 -13.821 1.00 0.14 H new ATOM 0 HZ2 LYS A 161 -16.319 -9.776 -12.792 1.00 0.14 H new ATOM 0 HZ3 LYS A 161 -17.935 -9.279 -12.639 1.00 0.14 H new ATOM 1883 N GLU A 162 -19.047 -2.918 -11.842 1.00 0.13 N ATOM 1884 CA GLU A 162 -20.281 -2.193 -11.426 1.00 0.13 C ATOM 1885 C GLU A 162 -20.545 -2.449 -9.941 1.00 0.12 C ATOM 1886 O GLU A 162 -21.675 -2.593 -9.517 1.00 0.12 O ATOM 1887 CB GLU A 162 -21.471 -2.693 -12.248 1.00 0.14 C ATOM 1888 CG GLU A 162 -22.472 -1.553 -12.441 1.00 0.14 C ATOM 1889 CD GLU A 162 -23.647 -2.041 -13.290 1.00 0.15 C ATOM 1890 OE1 GLU A 162 -24.519 -2.695 -12.741 1.00 0.15 O ATOM 1891 OE2 GLU A 162 -23.656 -1.753 -14.476 1.00 0.15 O ATOM 0 H GLU A 162 -18.604 -3.476 -11.112 1.00 0.13 H new ATOM 0 HA GLU A 162 -20.148 -1.124 -11.594 1.00 0.13 H new ATOM 0 HB2 GLU A 162 -21.130 -3.059 -13.216 1.00 0.14 H new ATOM 0 HB3 GLU A 162 -21.951 -3.530 -11.741 1.00 0.14 H new ATOM 0 HG2 GLU A 162 -22.830 -1.202 -11.473 1.00 0.14 H new ATOM 0 HG3 GLU A 162 -21.986 -0.707 -12.927 1.00 0.14 H new ATOM 1898 N MET A 163 -19.511 -2.508 -9.147 1.00 0.11 N ATOM 1899 CA MET A 163 -19.703 -2.754 -7.691 1.00 0.11 C ATOM 1900 C MET A 163 -18.989 -1.664 -6.891 1.00 0.10 C ATOM 1901 O MET A 163 -17.895 -1.857 -6.399 1.00 0.10 O ATOM 1902 CB MET A 163 -19.120 -4.121 -7.324 1.00 0.10 C ATOM 1903 CG MET A 163 -20.076 -5.224 -7.779 1.00 0.11 C ATOM 1904 SD MET A 163 -19.282 -6.218 -9.066 1.00 0.11 S ATOM 1905 CE MET A 163 -19.732 -7.842 -8.409 1.00 0.11 C ATOM 0 H MET A 163 -18.542 -2.396 -9.444 1.00 0.11 H new ATOM 0 HA MET A 163 -20.767 -2.738 -7.457 1.00 0.11 H new ATOM 0 HB2 MET A 163 -18.147 -4.251 -7.797 1.00 0.10 H new ATOM 0 HB3 MET A 163 -18.962 -4.183 -6.247 1.00 0.10 H new ATOM 0 HG2 MET A 163 -20.349 -5.855 -6.933 1.00 0.11 H new ATOM 0 HG3 MET A 163 -20.998 -4.786 -8.160 1.00 0.11 H new ATOM 0 HE1 MET A 163 -19.336 -8.621 -9.061 1.00 0.11 H new ATOM 0 HE2 MET A 163 -19.314 -7.958 -7.409 1.00 0.11 H new ATOM 0 HE3 MET A 163 -20.818 -7.927 -8.361 1.00 0.11 H new ATOM 1915 N GLN A 164 -19.600 -0.519 -6.754 1.00 0.10 N ATOM 1916 CA GLN A 164 -18.956 0.583 -5.984 1.00 0.10 C ATOM 1917 C GLN A 164 -19.521 0.610 -4.562 1.00 0.09 C ATOM 1918 O GLN A 164 -19.580 1.644 -3.927 1.00 0.09 O ATOM 1919 CB GLN A 164 -19.240 1.920 -6.672 1.00 0.10 C ATOM 1920 CG GLN A 164 -18.921 1.806 -8.164 1.00 0.11 C ATOM 1921 CD GLN A 164 -20.191 2.059 -8.979 1.00 0.12 C ATOM 1922 OE1 GLN A 164 -20.850 1.130 -9.403 1.00 0.12 O ATOM 1923 NE2 GLN A 164 -20.564 3.287 -9.219 1.00 0.12 N ATOM 0 H GLN A 164 -20.517 -0.299 -7.142 1.00 0.10 H new ATOM 0 HA GLN A 164 -17.879 0.417 -5.944 1.00 0.10 H new ATOM 0 HB2 GLN A 164 -20.285 2.197 -6.533 1.00 0.10 H new ATOM 0 HB3 GLN A 164 -18.638 2.708 -6.220 1.00 0.10 H new ATOM 0 HG2 GLN A 164 -18.151 2.527 -8.438 1.00 0.11 H new ATOM 0 HG3 GLN A 164 -18.524 0.816 -8.387 1.00 0.11 H new ATOM 0 HE21 GLN A 164 -20.011 4.067 -8.863 1.00 0.12 H new ATOM 0 HE22 GLN A 164 -21.408 3.467 -9.762 1.00 0.12 H new ATOM 1932 N VAL A 165 -19.937 -0.520 -4.056 1.00 0.09 N ATOM 1933 CA VAL A 165 -20.496 -0.558 -2.677 1.00 0.09 C ATOM 1934 C VAL A 165 -19.510 -1.265 -1.743 1.00 0.08 C ATOM 1935 O VAL A 165 -19.476 -1.010 -0.556 1.00 0.08 O ATOM 1936 CB VAL A 165 -21.824 -1.319 -2.687 1.00 0.09 C ATOM 1937 CG1 VAL A 165 -22.054 -1.964 -1.319 1.00 0.09 C ATOM 1938 CG2 VAL A 165 -22.966 -0.345 -2.988 1.00 0.10 C ATOM 0 H VAL A 165 -19.913 -1.418 -4.539 1.00 0.09 H new ATOM 0 HA VAL A 165 -20.662 0.460 -2.325 1.00 0.09 H new ATOM 0 HB VAL A 165 -21.793 -2.094 -3.453 1.00 0.09 H new ATOM 0 HG11 VAL A 165 -23.000 -2.506 -1.327 1.00 0.09 H new ATOM 0 HG12 VAL A 165 -21.241 -2.657 -1.102 1.00 0.09 H new ATOM 0 HG13 VAL A 165 -22.086 -1.190 -0.552 1.00 0.09 H new ATOM 0 HG21 VAL A 165 -23.913 -0.885 -2.996 1.00 0.10 H new ATOM 0 HG22 VAL A 165 -22.996 0.429 -2.221 1.00 0.10 H new ATOM 0 HG23 VAL A 165 -22.804 0.116 -3.962 1.00 0.10 H new ATOM 1948 N LEU A 166 -18.706 -2.153 -2.266 1.00 0.08 N ATOM 1949 CA LEU A 166 -17.728 -2.871 -1.401 1.00 0.07 C ATOM 1950 C LEU A 166 -16.375 -2.148 -1.417 1.00 0.07 C ATOM 1951 O LEU A 166 -15.359 -2.717 -1.070 1.00 0.07 O ATOM 1952 CB LEU A 166 -17.543 -4.299 -1.919 1.00 0.07 C ATOM 1953 CG LEU A 166 -18.900 -5.003 -1.971 1.00 0.08 C ATOM 1954 CD1 LEU A 166 -19.003 -5.816 -3.262 1.00 0.09 C ATOM 1955 CD2 LEU A 166 -19.032 -5.940 -0.768 1.00 0.07 C ATOM 0 H LEU A 166 -18.685 -2.411 -3.253 1.00 0.08 H new ATOM 0 HA LEU A 166 -18.109 -2.893 -0.380 1.00 0.07 H new ATOM 0 HB2 LEU A 166 -17.092 -4.282 -2.911 1.00 0.07 H new ATOM 0 HB3 LEU A 166 -16.862 -4.848 -1.269 1.00 0.07 H new ATOM 0 HG LEU A 166 -19.697 -4.260 -1.945 1.00 0.08 H new ATOM 0 HD11 LEU A 166 -19.970 -6.318 -3.300 1.00 0.09 H new ATOM 0 HD12 LEU A 166 -18.906 -5.151 -4.120 1.00 0.09 H new ATOM 0 HD13 LEU A 166 -18.207 -6.560 -3.288 1.00 0.09 H new ATOM 0 HD21 LEU A 166 -19.998 -6.443 -0.803 1.00 0.07 H new ATOM 0 HD22 LEU A 166 -18.235 -6.683 -0.796 1.00 0.07 H new ATOM 0 HD23 LEU A 166 -18.957 -5.362 0.153 1.00 0.07 H new ATOM 1967 N VAL A 167 -16.344 -0.901 -1.811 1.00 0.07 N ATOM 1968 CA VAL A 167 -15.048 -0.167 -1.838 1.00 0.07 C ATOM 1969 C VAL A 167 -14.650 0.207 -0.409 1.00 0.06 C ATOM 1970 O VAL A 167 -13.506 0.084 -0.019 1.00 0.06 O ATOM 1971 CB VAL A 167 -15.194 1.102 -2.678 1.00 0.07 C ATOM 1972 CG1 VAL A 167 -13.965 1.991 -2.481 1.00 0.07 C ATOM 1973 CG2 VAL A 167 -15.313 0.721 -4.155 1.00 0.08 C ATOM 0 H VAL A 167 -17.156 -0.363 -2.113 1.00 0.07 H new ATOM 0 HA VAL A 167 -14.279 -0.802 -2.277 1.00 0.07 H new ATOM 0 HB VAL A 167 -16.087 1.643 -2.366 1.00 0.07 H new ATOM 0 HG11 VAL A 167 -14.070 2.895 -3.080 1.00 0.07 H new ATOM 0 HG12 VAL A 167 -13.876 2.261 -1.429 1.00 0.07 H new ATOM 0 HG13 VAL A 167 -13.071 1.451 -2.793 1.00 0.07 H new ATOM 0 HG21 VAL A 167 -15.417 1.624 -4.756 1.00 0.08 H new ATOM 0 HG22 VAL A 167 -14.419 0.180 -4.464 1.00 0.08 H new ATOM 0 HG23 VAL A 167 -16.188 0.087 -4.298 1.00 0.08 H new ATOM 1983 N SER A 168 -15.588 0.662 0.377 1.00 0.06 N ATOM 1984 CA SER A 168 -15.263 1.041 1.781 1.00 0.06 C ATOM 1985 C SER A 168 -14.900 -0.217 2.572 1.00 0.05 C ATOM 1986 O SER A 168 -14.102 -0.178 3.488 1.00 0.04 O ATOM 1987 CB SER A 168 -16.478 1.714 2.422 1.00 0.06 C ATOM 1988 OG SER A 168 -16.044 2.548 3.488 1.00 0.06 O ATOM 0 H SER A 168 -16.564 0.787 0.108 1.00 0.06 H new ATOM 0 HA SER A 168 -14.421 1.733 1.788 1.00 0.06 H new ATOM 0 HB2 SER A 168 -17.016 2.303 1.679 1.00 0.06 H new ATOM 0 HB3 SER A 168 -17.172 0.960 2.794 1.00 0.06 H new ATOM 0 HG SER A 168 -16.820 2.982 3.900 1.00 0.06 H new ATOM 1994 N ARG A 169 -15.480 -1.334 2.225 1.00 0.05 N ATOM 1995 CA ARG A 169 -15.168 -2.594 2.956 1.00 0.05 C ATOM 1996 C ARG A 169 -13.706 -2.974 2.711 1.00 0.04 C ATOM 1997 O ARG A 169 -12.948 -3.192 3.635 1.00 0.04 O ATOM 1998 CB ARG A 169 -16.078 -3.716 2.452 1.00 0.05 C ATOM 1999 CG ARG A 169 -17.487 -3.524 3.016 1.00 0.06 C ATOM 2000 CD ARG A 169 -18.068 -4.882 3.414 1.00 0.06 C ATOM 2001 NE ARG A 169 -19.034 -4.700 4.534 1.00 0.06 N ATOM 2002 CZ ARG A 169 -20.216 -5.251 4.473 1.00 0.07 C ATOM 2003 NH1 ARG A 169 -20.350 -6.532 4.685 1.00 0.07 N ATOM 2004 NH2 ARG A 169 -21.263 -4.521 4.202 1.00 0.07 N ATOM 0 H ARG A 169 -16.156 -1.428 1.467 1.00 0.05 H new ATOM 0 HA ARG A 169 -15.333 -2.446 4.023 1.00 0.05 H new ATOM 0 HB2 ARG A 169 -16.108 -3.713 1.362 1.00 0.05 H new ATOM 0 HB3 ARG A 169 -15.682 -4.685 2.757 1.00 0.05 H new ATOM 0 HG2 ARG A 169 -17.456 -2.862 3.881 1.00 0.06 H new ATOM 0 HG3 ARG A 169 -18.126 -3.047 2.272 1.00 0.06 H new ATOM 0 HD2 ARG A 169 -18.567 -5.340 2.560 1.00 0.06 H new ATOM 0 HD3 ARG A 169 -17.268 -5.558 3.716 1.00 0.06 H new ATOM 0 HE ARG A 169 -18.772 -4.145 5.348 1.00 0.06 H new ATOM 0 HH11 ARG A 169 -19.531 -7.102 4.898 1.00 0.07 H new ATOM 0 HH12 ARG A 169 -21.273 -6.963 4.637 1.00 0.07 H new ATOM 0 HH21 ARG A 169 -21.158 -3.520 4.038 1.00 0.07 H new ATOM 0 HH22 ARG A 169 -22.186 -4.952 4.154 1.00 0.07 H new ATOM 2018 N ILE A 170 -13.305 -3.054 1.471 1.00 0.05 N ATOM 2019 CA ILE A 170 -11.892 -3.419 1.169 1.00 0.05 C ATOM 2020 C ILE A 170 -10.960 -2.337 1.718 1.00 0.04 C ATOM 2021 O ILE A 170 -9.992 -2.623 2.395 1.00 0.04 O ATOM 2022 CB ILE A 170 -11.706 -3.532 -0.345 1.00 0.05 C ATOM 2023 CG1 ILE A 170 -12.471 -4.752 -0.862 1.00 0.06 C ATOM 2024 CG2 ILE A 170 -10.219 -3.690 -0.667 1.00 0.06 C ATOM 2025 CD1 ILE A 170 -12.885 -4.517 -2.316 1.00 0.07 C ATOM 0 H ILE A 170 -13.894 -2.883 0.656 1.00 0.05 H new ATOM 0 HA ILE A 170 -11.655 -4.375 1.635 1.00 0.05 H new ATOM 0 HB ILE A 170 -12.088 -2.631 -0.826 1.00 0.05 H new ATOM 0 HG12 ILE A 170 -11.847 -5.643 -0.790 1.00 0.06 H new ATOM 0 HG13 ILE A 170 -13.353 -4.929 -0.246 1.00 0.06 H new ATOM 0 HG21 ILE A 170 -10.087 -3.771 -1.746 1.00 0.06 H new ATOM 0 HG22 ILE A 170 -9.673 -2.822 -0.298 1.00 0.06 H new ATOM 0 HG23 ILE A 170 -9.836 -4.590 -0.186 1.00 0.06 H new ATOM 0 HD11 ILE A 170 -13.430 -5.386 -2.684 1.00 0.07 H new ATOM 0 HD12 ILE A 170 -13.525 -3.636 -2.374 1.00 0.07 H new ATOM 0 HD13 ILE A 170 -11.996 -4.361 -2.927 1.00 0.07 H new ATOM 2037 N ALA A 171 -11.244 -1.096 1.432 1.00 0.04 N ATOM 2038 CA ALA A 171 -10.375 0.004 1.938 1.00 0.04 C ATOM 2039 C ALA A 171 -10.332 -0.043 3.467 1.00 0.03 C ATOM 2040 O ALA A 171 -9.353 0.330 4.082 1.00 0.03 O ATOM 2041 CB ALA A 171 -10.941 1.352 1.485 1.00 0.05 C ATOM 0 H ALA A 171 -12.040 -0.796 0.870 1.00 0.04 H new ATOM 0 HA ALA A 171 -9.367 -0.118 1.542 1.00 0.04 H new ATOM 0 HB1 ALA A 171 -10.305 2.156 1.855 1.00 0.05 H new ATOM 0 HB2 ALA A 171 -10.972 1.386 0.396 1.00 0.05 H new ATOM 0 HB3 ALA A 171 -11.949 1.475 1.881 1.00 0.05 H new ATOM 2047 N ALA A 172 -11.388 -0.498 4.085 1.00 0.03 N ATOM 2048 CA ALA A 172 -11.407 -0.568 5.573 1.00 0.03 C ATOM 2049 C ALA A 172 -10.446 -1.661 6.044 1.00 0.02 C ATOM 2050 O ALA A 172 -9.664 -1.465 6.954 1.00 0.02 O ATOM 2051 CB ALA A 172 -12.823 -0.894 6.051 1.00 0.03 C ATOM 0 H ALA A 172 -12.237 -0.824 3.624 1.00 0.03 H new ATOM 0 HA ALA A 172 -11.097 0.392 5.986 1.00 0.03 H new ATOM 0 HB1 ALA A 172 -12.837 -0.945 7.140 1.00 0.03 H new ATOM 0 HB2 ALA A 172 -13.508 -0.116 5.716 1.00 0.03 H new ATOM 0 HB3 ALA A 172 -13.134 -1.854 5.639 1.00 0.03 H new ATOM 2057 N TRP A 173 -10.496 -2.813 5.432 1.00 0.02 N ATOM 2058 CA TRP A 173 -9.585 -3.917 5.845 1.00 0.02 C ATOM 2059 C TRP A 173 -8.136 -3.432 5.779 1.00 0.03 C ATOM 2060 O TRP A 173 -7.342 -3.694 6.660 1.00 0.03 O ATOM 2061 CB TRP A 173 -9.768 -5.109 4.905 1.00 0.03 C ATOM 2062 CG TRP A 173 -11.220 -5.452 4.812 1.00 0.03 C ATOM 2063 CD1 TRP A 173 -12.150 -5.155 5.748 1.00 0.04 C ATOM 2064 CD2 TRP A 173 -11.924 -6.150 3.743 1.00 0.03 C ATOM 2065 NE1 TRP A 173 -13.379 -5.625 5.323 1.00 0.05 N ATOM 2066 CE2 TRP A 173 -13.292 -6.246 4.093 1.00 0.04 C ATOM 2067 CE3 TRP A 173 -11.512 -6.702 2.517 1.00 0.04 C ATOM 2068 CZ2 TRP A 173 -14.218 -6.868 3.256 1.00 0.05 C ATOM 2069 CZ3 TRP A 173 -12.442 -7.330 1.672 1.00 0.04 C ATOM 2070 CH2 TRP A 173 -13.793 -7.412 2.041 1.00 0.04 C ATOM 0 H TRP A 173 -11.129 -3.037 4.664 1.00 0.02 H new ATOM 0 HA TRP A 173 -9.821 -4.221 6.865 1.00 0.02 H new ATOM 0 HB2 TRP A 173 -9.376 -4.870 3.917 1.00 0.03 H new ATOM 0 HB3 TRP A 173 -9.204 -5.966 5.273 1.00 0.03 H new ATOM 0 HD1 TRP A 173 -11.963 -4.635 6.676 1.00 0.04 H new ATOM 0 HE1 TRP A 173 -14.244 -5.525 5.854 1.00 0.05 H new ATOM 0 HE3 TRP A 173 -10.474 -6.643 2.223 1.00 0.04 H new ATOM 0 HZ2 TRP A 173 -15.257 -6.929 3.545 1.00 0.05 H new ATOM 0 HZ3 TRP A 173 -12.115 -7.752 0.733 1.00 0.04 H new ATOM 0 HH2 TRP A 173 -14.504 -7.895 1.387 1.00 0.04 H new ATOM 2081 N MET A 174 -7.784 -2.725 4.739 1.00 0.03 N ATOM 2082 CA MET A 174 -6.386 -2.224 4.619 1.00 0.04 C ATOM 2083 C MET A 174 -6.166 -1.088 5.618 1.00 0.04 C ATOM 2084 O MET A 174 -5.077 -0.892 6.121 1.00 0.04 O ATOM 2085 CB MET A 174 -6.150 -1.704 3.199 1.00 0.05 C ATOM 2086 CG MET A 174 -6.491 -2.800 2.188 1.00 0.05 C ATOM 2087 SD MET A 174 -5.034 -3.165 1.178 1.00 0.06 S ATOM 2088 CE MET A 174 -4.713 -1.473 0.623 1.00 0.06 C ATOM 0 H MET A 174 -8.404 -2.473 3.969 1.00 0.03 H new ATOM 0 HA MET A 174 -5.690 -3.036 4.830 1.00 0.04 H new ATOM 0 HB2 MET A 174 -6.765 -0.823 3.017 1.00 0.05 H new ATOM 0 HB3 MET A 174 -5.111 -1.397 3.081 1.00 0.05 H new ATOM 0 HG2 MET A 174 -6.821 -3.699 2.708 1.00 0.05 H new ATOM 0 HG3 MET A 174 -7.316 -2.479 1.552 1.00 0.05 H new ATOM 0 HE1 MET A 174 -4.123 -1.496 -0.293 1.00 0.06 H new ATOM 0 HE2 MET A 174 -5.659 -0.967 0.433 1.00 0.06 H new ATOM 0 HE3 MET A 174 -4.163 -0.935 1.395 1.00 0.06 H new ATOM 2098 N ALA A 175 -7.192 -0.337 5.911 1.00 0.03 N ATOM 2099 CA ALA A 175 -7.041 0.786 6.877 1.00 0.03 C ATOM 2100 C ALA A 175 -6.729 0.226 8.267 1.00 0.03 C ATOM 2101 O ALA A 175 -5.877 0.728 8.972 1.00 0.03 O ATOM 2102 CB ALA A 175 -8.340 1.592 6.931 1.00 0.03 C ATOM 0 H ALA A 175 -8.128 -0.453 5.523 1.00 0.03 H new ATOM 0 HA ALA A 175 -6.226 1.434 6.555 1.00 0.03 H new ATOM 0 HB1 ALA A 175 -8.229 2.414 7.638 1.00 0.03 H new ATOM 0 HB2 ALA A 175 -8.561 1.992 5.942 1.00 0.03 H new ATOM 0 HB3 ALA A 175 -9.157 0.945 7.252 1.00 0.03 H new ATOM 2108 N THR A 176 -7.414 -0.812 8.666 1.00 0.02 N ATOM 2109 CA THR A 176 -7.156 -1.402 10.010 1.00 0.03 C ATOM 2110 C THR A 176 -5.783 -2.076 10.016 1.00 0.03 C ATOM 2111 O THR A 176 -5.030 -1.962 10.964 1.00 0.04 O ATOM 2112 CB THR A 176 -8.235 -2.440 10.329 1.00 0.03 C ATOM 2113 OG1 THR A 176 -9.518 -1.859 10.143 1.00 0.02 O ATOM 2114 CG2 THR A 176 -8.087 -2.902 11.779 1.00 0.03 C ATOM 0 H THR A 176 -8.140 -1.276 8.120 1.00 0.02 H new ATOM 0 HA THR A 176 -7.177 -0.613 10.762 1.00 0.03 H new ATOM 0 HB THR A 176 -8.124 -3.297 9.664 1.00 0.03 H new ATOM 0 HG1 THR A 176 -10.210 -2.523 10.345 1.00 0.02 H new ATOM 0 HG21 THR A 176 -8.855 -3.641 12.006 1.00 0.03 H new ATOM 0 HG22 THR A 176 -7.102 -3.347 11.920 1.00 0.03 H new ATOM 0 HG23 THR A 176 -8.198 -2.047 12.446 1.00 0.03 H new ATOM 2122 N TYR A 177 -5.450 -2.778 8.965 1.00 0.03 N ATOM 2123 CA TYR A 177 -4.125 -3.457 8.912 1.00 0.04 C ATOM 2124 C TYR A 177 -3.022 -2.429 9.161 1.00 0.04 C ATOM 2125 O TYR A 177 -1.998 -2.730 9.739 1.00 0.05 O ATOM 2126 CB TYR A 177 -3.930 -4.094 7.535 1.00 0.04 C ATOM 2127 CG TYR A 177 -2.864 -5.160 7.621 1.00 0.05 C ATOM 2128 CD1 TYR A 177 -1.511 -4.799 7.617 1.00 0.05 C ATOM 2129 CD2 TYR A 177 -3.228 -6.509 7.706 1.00 0.05 C ATOM 2130 CE1 TYR A 177 -0.522 -5.787 7.698 1.00 0.06 C ATOM 2131 CE2 TYR A 177 -2.239 -7.497 7.787 1.00 0.05 C ATOM 2132 CZ TYR A 177 -0.886 -7.136 7.783 1.00 0.06 C ATOM 2133 OH TYR A 177 0.088 -8.110 7.863 1.00 0.07 O ATOM 0 H TYR A 177 -6.039 -2.910 8.142 1.00 0.03 H new ATOM 0 HA TYR A 177 -4.081 -4.233 9.676 1.00 0.04 H new ATOM 0 HB2 TYR A 177 -4.867 -4.529 7.187 1.00 0.04 H new ATOM 0 HB3 TYR A 177 -3.642 -3.334 6.808 1.00 0.04 H new ATOM 0 HD1 TYR A 177 -1.230 -3.758 7.551 1.00 0.05 H new ATOM 0 HD2 TYR A 177 -4.271 -6.788 7.709 1.00 0.05 H new ATOM 0 HE1 TYR A 177 0.521 -5.508 7.695 1.00 0.06 H new ATOM 0 HE2 TYR A 177 -2.520 -8.538 7.853 1.00 0.05 H new ATOM 0 HH TYR A 177 -0.335 -8.992 7.917 1.00 0.07 H new ATOM 2143 N LEU A 178 -3.224 -1.214 8.731 1.00 0.04 N ATOM 2144 CA LEU A 178 -2.188 -0.166 8.946 1.00 0.05 C ATOM 2145 C LEU A 178 -2.470 0.577 10.258 1.00 0.05 C ATOM 2146 O LEU A 178 -1.584 1.156 10.854 1.00 0.05 O ATOM 2147 CB LEU A 178 -2.213 0.825 7.781 1.00 0.05 C ATOM 2148 CG LEU A 178 -0.807 0.954 7.192 1.00 0.06 C ATOM 2149 CD1 LEU A 178 -0.651 -0.021 6.024 1.00 0.06 C ATOM 2150 CD2 LEU A 178 -0.592 2.385 6.694 1.00 0.06 C ATOM 0 H LEU A 178 -4.062 -0.902 8.240 1.00 0.04 H new ATOM 0 HA LEU A 178 -1.206 -0.636 9.002 1.00 0.05 H new ATOM 0 HB2 LEU A 178 -2.910 0.485 7.015 1.00 0.05 H new ATOM 0 HB3 LEU A 178 -2.566 1.798 8.124 1.00 0.05 H new ATOM 0 HG LEU A 178 -0.069 0.721 7.960 1.00 0.06 H new ATOM 0 HD11 LEU A 178 0.351 0.071 5.604 1.00 0.06 H new ATOM 0 HD12 LEU A 178 -0.804 -1.040 6.378 1.00 0.06 H new ATOM 0 HD13 LEU A 178 -1.389 0.211 5.256 1.00 0.06 H new ATOM 0 HD21 LEU A 178 0.410 2.478 6.274 1.00 0.06 H new ATOM 0 HD22 LEU A 178 -1.330 2.618 5.926 1.00 0.06 H new ATOM 0 HD23 LEU A 178 -0.702 3.080 7.526 1.00 0.06 H new ATOM 2162 N ASN A 179 -3.696 0.566 10.714 1.00 0.04 N ATOM 2163 CA ASN A 179 -4.025 1.273 11.984 1.00 0.05 C ATOM 2164 C ASN A 179 -3.182 0.696 13.124 1.00 0.05 C ATOM 2165 O ASN A 179 -2.490 1.413 13.820 1.00 0.06 O ATOM 2166 CB ASN A 179 -5.510 1.082 12.303 1.00 0.04 C ATOM 2167 CG ASN A 179 -5.968 2.173 13.273 1.00 0.05 C ATOM 2168 OD1 ASN A 179 -5.205 3.051 13.622 1.00 0.05 O ATOM 2169 ND2 ASN A 179 -7.191 2.153 13.726 1.00 0.05 N ATOM 0 H ASN A 179 -4.481 0.098 10.261 1.00 0.04 H new ATOM 0 HA ASN A 179 -3.809 2.336 11.874 1.00 0.05 H new ATOM 0 HB2 ASN A 179 -6.098 1.125 11.386 1.00 0.04 H new ATOM 0 HB3 ASN A 179 -5.675 0.098 12.742 1.00 0.04 H new ATOM 0 HD21 ASN A 179 -7.507 2.875 14.374 1.00 0.05 H new ATOM 0 HD22 ASN A 179 -7.832 1.415 13.433 1.00 0.05 H new ATOM 2176 N ASP A 180 -3.234 -0.594 13.323 1.00 0.05 N ATOM 2177 CA ASP A 180 -2.434 -1.210 14.422 1.00 0.06 C ATOM 2178 C ASP A 180 -1.857 -2.560 13.976 1.00 0.06 C ATOM 2179 O ASP A 180 -1.386 -3.334 14.786 1.00 0.07 O ATOM 2180 CB ASP A 180 -3.336 -1.430 15.635 1.00 0.06 C ATOM 2181 CG ASP A 180 -2.907 -0.497 16.769 1.00 0.07 C ATOM 2182 OD1 ASP A 180 -2.532 0.627 16.477 1.00 0.07 O ATOM 2183 OD2 ASP A 180 -2.961 -0.922 17.912 1.00 0.07 O ATOM 0 H ASP A 180 -3.794 -1.246 12.774 1.00 0.05 H new ATOM 0 HA ASP A 180 -1.612 -0.541 14.677 1.00 0.06 H new ATOM 0 HB2 ASP A 180 -4.375 -1.240 15.367 1.00 0.06 H new ATOM 0 HB3 ASP A 180 -3.276 -2.468 15.962 1.00 0.06 H new ATOM 2188 N HIS A 181 -1.887 -2.857 12.705 1.00 0.06 N ATOM 2189 CA HIS A 181 -1.336 -4.160 12.234 1.00 0.06 C ATOM 2190 C HIS A 181 -0.119 -3.911 11.339 1.00 0.07 C ATOM 2191 O HIS A 181 0.177 -4.685 10.451 1.00 0.07 O ATOM 2192 CB HIS A 181 -2.409 -4.907 11.439 1.00 0.06 C ATOM 2193 CG HIS A 181 -2.557 -6.301 11.981 1.00 0.06 C ATOM 2194 ND1 HIS A 181 -3.797 -6.872 12.226 1.00 0.05 N ATOM 2195 CD2 HIS A 181 -1.631 -7.253 12.330 1.00 0.06 C ATOM 2196 CE1 HIS A 181 -3.585 -8.113 12.701 1.00 0.06 C ATOM 2197 NE2 HIS A 181 -2.282 -8.396 12.784 1.00 0.06 N ATOM 0 H HIS A 181 -2.268 -2.256 11.974 1.00 0.06 H new ATOM 0 HA HIS A 181 -1.035 -4.758 13.094 1.00 0.06 H new ATOM 0 HB2 HIS A 181 -3.359 -4.377 11.504 1.00 0.06 H new ATOM 0 HB3 HIS A 181 -2.136 -4.943 10.384 1.00 0.06 H new ATOM 0 HD2 HIS A 181 -0.560 -7.133 12.262 1.00 0.06 H new ATOM 0 HE1 HIS A 181 -4.372 -8.797 12.981 1.00 0.06 H new ATOM 0 HE2 HIS A 181 -1.856 -9.263 13.110 1.00 0.06 H new ATOM 2205 N LEU A 182 0.586 -2.836 11.567 1.00 0.07 N ATOM 2206 CA LEU A 182 1.786 -2.532 10.731 1.00 0.07 C ATOM 2207 C LEU A 182 2.459 -1.256 11.243 1.00 0.07 C ATOM 2208 O LEU A 182 3.669 -1.144 11.236 1.00 0.08 O ATOM 2209 CB LEU A 182 1.365 -2.328 9.275 1.00 0.07 C ATOM 2210 CG LEU A 182 2.611 -2.115 8.415 1.00 0.08 C ATOM 2211 CD1 LEU A 182 2.901 -3.385 7.614 1.00 0.09 C ATOM 2212 CD2 LEU A 182 2.371 -0.950 7.454 1.00 0.08 C ATOM 0 H LEU A 182 0.383 -2.153 12.297 1.00 0.07 H new ATOM 0 HA LEU A 182 2.484 -3.366 10.794 1.00 0.07 H new ATOM 0 HB2 LEU A 182 0.808 -3.195 8.920 1.00 0.07 H new ATOM 0 HB3 LEU A 182 0.701 -1.467 9.193 1.00 0.07 H new ATOM 0 HG LEU A 182 3.462 -1.889 9.057 1.00 0.08 H new ATOM 0 HD11 LEU A 182 3.789 -3.233 7.001 1.00 0.09 H new ATOM 0 HD12 LEU A 182 3.070 -4.216 8.299 1.00 0.09 H new ATOM 0 HD13 LEU A 182 2.051 -3.612 6.971 1.00 0.09 H new ATOM 0 HD21 LEU A 182 3.258 -0.796 6.840 1.00 0.08 H new ATOM 0 HD22 LEU A 182 1.520 -1.177 6.812 1.00 0.08 H new ATOM 0 HD23 LEU A 182 2.163 -0.045 8.024 1.00 0.08 H new ATOM 2224 N GLU A 183 1.678 -0.298 11.681 1.00 0.07 N ATOM 2225 CA GLU A 183 2.250 0.983 12.199 1.00 0.07 C ATOM 2226 C GLU A 183 3.424 0.713 13.159 1.00 0.08 C ATOM 2227 O GLU A 183 4.486 1.276 12.981 1.00 0.09 O ATOM 2228 CB GLU A 183 1.154 1.773 12.922 1.00 0.07 C ATOM 2229 CG GLU A 183 1.725 2.417 14.189 1.00 0.07 C ATOM 2230 CD GLU A 183 0.709 3.411 14.754 1.00 0.07 C ATOM 2231 OE1 GLU A 183 -0.324 3.590 14.130 1.00 0.07 O ATOM 2232 OE2 GLU A 183 0.982 3.977 15.800 1.00 0.08 O ATOM 0 H GLU A 183 0.660 -0.350 11.702 1.00 0.07 H new ATOM 0 HA GLU A 183 2.627 1.564 11.357 1.00 0.07 H new ATOM 0 HB2 GLU A 183 0.752 2.542 12.262 1.00 0.07 H new ATOM 0 HB3 GLU A 183 0.327 1.111 13.181 1.00 0.07 H new ATOM 0 HG2 GLU A 183 1.951 1.650 14.930 1.00 0.07 H new ATOM 0 HG3 GLU A 183 2.661 2.927 13.961 1.00 0.07 H new ATOM 2239 N PRO A 184 3.216 -0.137 14.145 1.00 0.08 N ATOM 2240 CA PRO A 184 4.260 -0.475 15.118 1.00 0.09 C ATOM 2241 C PRO A 184 5.572 -0.798 14.394 1.00 0.10 C ATOM 2242 O PRO A 184 6.646 -0.611 14.930 1.00 0.10 O ATOM 2243 CB PRO A 184 3.750 -1.698 15.871 1.00 0.09 C ATOM 2244 CG PRO A 184 2.214 -1.561 15.741 1.00 0.08 C ATOM 2245 CD PRO A 184 1.935 -0.841 14.399 1.00 0.08 C ATOM 0 HA PRO A 184 4.462 0.353 15.797 1.00 0.09 H new ATOM 0 HB2 PRO A 184 4.113 -2.626 15.429 1.00 0.09 H new ATOM 0 HB3 PRO A 184 4.070 -1.695 16.913 1.00 0.09 H new ATOM 0 HG2 PRO A 184 1.737 -2.541 15.759 1.00 0.08 H new ATOM 0 HG3 PRO A 184 1.806 -0.992 16.576 1.00 0.08 H new ATOM 0 HD2 PRO A 184 1.693 -1.545 13.603 1.00 0.08 H new ATOM 0 HD3 PRO A 184 1.098 -0.147 14.476 1.00 0.08 H new ATOM 2253 N TRP A 185 5.499 -1.278 13.178 1.00 0.09 N ATOM 2254 CA TRP A 185 6.750 -1.602 12.437 1.00 0.10 C ATOM 2255 C TRP A 185 7.162 -0.398 11.588 1.00 0.10 C ATOM 2256 O TRP A 185 8.332 -0.148 11.373 1.00 0.10 O ATOM 2257 CB TRP A 185 6.519 -2.809 11.525 1.00 0.10 C ATOM 2258 CG TRP A 185 7.819 -3.207 10.901 1.00 0.11 C ATOM 2259 CD1 TRP A 185 8.658 -4.149 11.387 1.00 0.12 C ATOM 2260 CD2 TRP A 185 8.443 -2.689 9.690 1.00 0.11 C ATOM 2261 NE1 TRP A 185 9.758 -4.241 10.553 1.00 0.12 N ATOM 2262 CE2 TRP A 185 9.672 -3.362 9.493 1.00 0.12 C ATOM 2263 CE3 TRP A 185 8.066 -1.710 8.753 1.00 0.11 C ATOM 2264 CZ2 TRP A 185 10.498 -3.073 8.405 1.00 0.12 C ATOM 2265 CZ3 TRP A 185 8.894 -1.417 7.657 1.00 0.12 C ATOM 2266 CH2 TRP A 185 10.108 -2.097 7.484 1.00 0.13 C ATOM 0 H TRP A 185 4.632 -1.458 12.671 1.00 0.09 H new ATOM 0 HA TRP A 185 7.539 -1.838 13.151 1.00 0.10 H new ATOM 0 HB2 TRP A 185 6.107 -3.640 12.098 1.00 0.10 H new ATOM 0 HB3 TRP A 185 5.791 -2.563 10.752 1.00 0.10 H new ATOM 0 HD1 TRP A 185 8.496 -4.734 12.280 1.00 0.12 H new ATOM 0 HE1 TRP A 185 10.538 -4.881 10.703 1.00 0.12 H new ATOM 0 HE3 TRP A 185 7.133 -1.180 8.877 1.00 0.11 H new ATOM 0 HZ2 TRP A 185 11.432 -3.600 8.276 1.00 0.12 H new ATOM 0 HZ3 TRP A 185 8.594 -0.664 6.944 1.00 0.12 H new ATOM 0 HH2 TRP A 185 10.741 -1.867 6.640 1.00 0.13 H new ATOM 2277 N ILE A 186 6.210 0.352 11.103 1.00 0.09 N ATOM 2278 CA ILE A 186 6.549 1.539 10.269 1.00 0.09 C ATOM 2279 C ILE A 186 7.454 2.479 11.068 1.00 0.09 C ATOM 2280 O ILE A 186 8.347 3.102 10.531 1.00 0.18 O ATOM 2281 CB ILE A 186 5.266 2.278 9.881 1.00 0.08 C ATOM 2282 CG1 ILE A 186 4.301 1.304 9.203 1.00 0.08 C ATOM 2283 CG2 ILE A 186 5.603 3.414 8.914 1.00 0.08 C ATOM 2284 CD1 ILE A 186 3.298 2.089 8.355 1.00 0.08 C ATOM 0 H ILE A 186 5.213 0.194 11.248 1.00 0.09 H new ATOM 0 HA ILE A 186 7.066 1.212 9.367 1.00 0.09 H new ATOM 0 HB ILE A 186 4.800 2.689 10.777 1.00 0.08 H new ATOM 0 HG12 ILE A 186 4.854 0.604 8.577 1.00 0.08 H new ATOM 0 HG13 ILE A 186 3.776 0.714 9.954 1.00 0.08 H new ATOM 0 HG21 ILE A 186 4.689 3.940 8.638 1.00 0.08 H new ATOM 0 HG22 ILE A 186 6.291 4.109 9.395 1.00 0.08 H new ATOM 0 HG23 ILE A 186 6.070 3.003 8.019 1.00 0.08 H new ATOM 0 HD11 ILE A 186 2.610 1.396 7.871 1.00 0.08 H new ATOM 0 HD12 ILE A 186 2.737 2.771 8.994 1.00 0.08 H new ATOM 0 HD13 ILE A 186 3.832 2.660 7.595 1.00 0.08 H new ATOM 2296 N GLN A 187 7.229 2.586 12.350 1.00 0.19 N ATOM 2297 CA GLN A 187 8.076 3.486 13.183 1.00 0.21 C ATOM 2298 C GLN A 187 9.328 2.735 13.640 1.00 0.22 C ATOM 2299 O GLN A 187 10.409 3.287 13.694 1.00 0.21 O ATOM 2300 CB GLN A 187 7.280 3.943 14.407 1.00 0.24 C ATOM 2301 CG GLN A 187 6.603 5.281 14.106 1.00 1.10 C ATOM 2302 CD GLN A 187 6.836 6.246 15.270 1.00 1.66 C ATOM 2303 OE1 GLN A 187 7.867 6.204 15.911 1.00 2.16 O ATOM 2304 NE2 GLN A 187 5.915 7.119 15.572 1.00 2.36 N ATOM 0 H GLN A 187 6.496 2.089 12.856 1.00 0.19 H new ATOM 0 HA GLN A 187 8.371 4.355 12.594 1.00 0.21 H new ATOM 0 HB2 GLN A 187 6.531 3.195 14.667 1.00 0.24 H new ATOM 0 HB3 GLN A 187 7.942 4.044 15.267 1.00 0.24 H new ATOM 0 HG2 GLN A 187 7.003 5.703 13.184 1.00 1.10 H new ATOM 0 HG3 GLN A 187 5.534 5.133 13.951 1.00 1.10 H new ATOM 0 HE21 GLN A 187 5.049 7.154 15.034 1.00 2.36 H new ATOM 0 HE22 GLN A 187 6.060 7.767 16.347 1.00 2.36 H new ATOM 2313 N GLU A 188 9.193 1.480 13.970 1.00 0.25 N ATOM 2314 CA GLU A 188 10.378 0.698 14.424 1.00 0.27 C ATOM 2315 C GLU A 188 11.481 0.781 13.367 1.00 0.24 C ATOM 2316 O GLU A 188 12.655 0.751 13.678 1.00 0.25 O ATOM 2317 CB GLU A 188 9.978 -0.765 14.628 1.00 0.32 C ATOM 2318 CG GLU A 188 9.559 -0.983 16.083 1.00 0.64 C ATOM 2319 CD GLU A 188 10.711 -1.632 16.854 1.00 0.96 C ATOM 2320 OE1 GLU A 188 11.848 -1.438 16.456 1.00 1.72 O ATOM 2321 OE2 GLU A 188 10.436 -2.312 17.829 1.00 1.46 O ATOM 0 H GLU A 188 8.314 0.962 13.945 1.00 0.25 H new ATOM 0 HA GLU A 188 10.744 1.109 15.365 1.00 0.27 H new ATOM 0 HB2 GLU A 188 9.157 -1.025 13.960 1.00 0.32 H new ATOM 0 HB3 GLU A 188 10.813 -1.419 14.377 1.00 0.32 H new ATOM 0 HG2 GLU A 188 9.291 -0.031 16.542 1.00 0.64 H new ATOM 0 HG3 GLU A 188 8.674 -1.618 16.127 1.00 0.64 H new ATOM 2328 N ASN A 189 11.113 0.886 12.119 1.00 0.23 N ATOM 2329 CA ASN A 189 12.141 0.971 11.044 1.00 0.23 C ATOM 2330 C ASN A 189 12.621 2.418 10.910 1.00 0.26 C ATOM 2331 O ASN A 189 13.764 2.676 10.588 1.00 0.57 O ATOM 2332 CB ASN A 189 11.532 0.512 9.718 1.00 0.23 C ATOM 2333 CG ASN A 189 12.561 -0.311 8.942 1.00 0.25 C ATOM 2334 OD1 ASN A 189 12.972 0.069 7.863 1.00 0.36 O ATOM 2335 ND2 ASN A 189 12.997 -1.432 9.448 1.00 0.32 N ATOM 0 H ASN A 189 10.145 0.917 11.798 1.00 0.23 H new ATOM 0 HA ASN A 189 12.985 0.330 11.298 1.00 0.23 H new ATOM 0 HB2 ASN A 189 10.638 -0.084 9.903 1.00 0.23 H new ATOM 0 HB3 ASN A 189 11.223 1.376 9.129 1.00 0.23 H new ATOM 0 HD21 ASN A 189 13.683 -1.989 8.938 1.00 0.32 H new ATOM 0 HD22 ASN A 189 12.652 -1.751 10.353 1.00 0.32 H new ATOM 2342 N GLY A 190 11.757 3.365 11.156 1.00 0.19 N ATOM 2343 CA GLY A 190 12.163 4.794 11.043 1.00 0.15 C ATOM 2344 C GLY A 190 10.916 5.672 10.926 1.00 0.13 C ATOM 2345 O GLY A 190 10.886 6.790 11.401 1.00 0.22 O ATOM 0 H GLY A 190 10.787 3.210 11.431 1.00 0.19 H new ATOM 0 HA2 GLY A 190 12.746 5.087 11.916 1.00 0.15 H new ATOM 0 HA3 GLY A 190 12.802 4.934 10.171 1.00 0.15 H new ATOM 2349 N GLY A 191 9.885 5.175 10.299 1.00 0.09 N ATOM 2350 CA GLY A 191 8.640 5.981 10.154 1.00 0.10 C ATOM 2351 C GLY A 191 8.392 6.281 8.675 1.00 0.09 C ATOM 2352 O GLY A 191 9.257 6.095 7.842 1.00 0.09 O ATOM 0 H GLY A 191 9.851 4.245 9.881 1.00 0.09 H new ATOM 0 HA2 GLY A 191 7.793 5.438 10.572 1.00 0.10 H new ATOM 0 HA3 GLY A 191 8.730 6.912 10.714 1.00 0.10 H new ATOM 2356 N TRP A 192 7.217 6.744 8.340 1.00 0.08 N ATOM 2357 CA TRP A 192 6.924 7.052 6.913 1.00 0.08 C ATOM 2358 C TRP A 192 7.972 8.024 6.373 1.00 0.09 C ATOM 2359 O TRP A 192 8.396 7.920 5.238 1.00 0.10 O ATOM 2360 CB TRP A 192 5.542 7.688 6.801 1.00 0.09 C ATOM 2361 CG TRP A 192 4.503 6.617 6.765 1.00 0.10 C ATOM 2362 CD1 TRP A 192 3.590 6.396 7.735 1.00 0.12 C ATOM 2363 CD2 TRP A 192 4.252 5.621 5.730 1.00 0.09 C ATOM 2364 NE1 TRP A 192 2.789 5.333 7.363 1.00 0.13 N ATOM 2365 CE2 TRP A 192 3.157 4.821 6.135 1.00 0.12 C ATOM 2366 CE3 TRP A 192 4.859 5.338 4.493 1.00 0.09 C ATOM 2367 CZ2 TRP A 192 2.680 3.777 5.340 1.00 0.13 C ATOM 2368 CZ3 TRP A 192 4.381 4.288 3.691 1.00 0.10 C ATOM 2369 CH2 TRP A 192 3.293 3.510 4.114 1.00 0.12 C ATOM 0 H TRP A 192 6.452 6.921 8.991 1.00 0.08 H new ATOM 0 HA TRP A 192 6.949 6.129 6.333 1.00 0.08 H new ATOM 0 HB2 TRP A 192 5.366 8.352 7.647 1.00 0.09 H new ATOM 0 HB3 TRP A 192 5.482 8.298 5.899 1.00 0.09 H new ATOM 0 HD1 TRP A 192 3.500 6.959 8.653 1.00 0.12 H new ATOM 0 HE1 TRP A 192 2.020 4.971 7.927 1.00 0.13 H new ATOM 0 HE3 TRP A 192 5.697 5.931 4.158 1.00 0.09 H new ATOM 0 HZ2 TRP A 192 1.843 3.180 5.671 1.00 0.13 H new ATOM 0 HZ3 TRP A 192 4.854 4.079 2.743 1.00 0.10 H new ATOM 0 HH2 TRP A 192 2.930 2.705 3.492 1.00 0.12 H new ATOM 2380 N ASP A 193 8.392 8.968 7.177 1.00 0.11 N ATOM 2381 CA ASP A 193 9.416 9.947 6.710 1.00 0.13 C ATOM 2382 C ASP A 193 10.614 9.183 6.153 1.00 0.13 C ATOM 2383 O ASP A 193 11.257 9.609 5.215 1.00 0.15 O ATOM 2384 CB ASP A 193 9.864 10.822 7.882 1.00 0.15 C ATOM 2385 CG ASP A 193 9.545 12.286 7.576 1.00 0.95 C ATOM 2386 OD1 ASP A 193 10.370 12.934 6.953 1.00 1.67 O ATOM 2387 OD2 ASP A 193 8.480 12.734 7.968 1.00 1.71 O ATOM 0 H ASP A 193 8.070 9.102 8.135 1.00 0.11 H new ATOM 0 HA ASP A 193 8.991 10.583 5.934 1.00 0.13 H new ATOM 0 HB2 ASP A 193 9.357 10.512 8.796 1.00 0.15 H new ATOM 0 HB3 ASP A 193 10.934 10.700 8.053 1.00 0.15 H new ATOM 2392 N THR A 194 10.911 8.047 6.721 1.00 0.12 N ATOM 2393 CA THR A 194 12.057 7.245 6.221 1.00 0.13 C ATOM 2394 C THR A 194 11.615 6.519 4.952 1.00 0.12 C ATOM 2395 O THR A 194 12.345 6.427 3.986 1.00 0.13 O ATOM 2396 CB THR A 194 12.468 6.219 7.280 1.00 0.14 C ATOM 2397 OG1 THR A 194 12.625 6.872 8.532 1.00 0.22 O ATOM 2398 CG2 THR A 194 13.787 5.565 6.874 1.00 0.15 C ATOM 0 H THR A 194 10.408 7.641 7.510 1.00 0.12 H new ATOM 0 HA THR A 194 12.906 7.894 6.009 1.00 0.13 H new ATOM 0 HB THR A 194 11.697 5.453 7.364 1.00 0.14 H new ATOM 0 HG1 THR A 194 13.488 6.623 8.925 1.00 0.22 H new ATOM 0 HG21 THR A 194 14.079 4.835 7.629 1.00 0.15 H new ATOM 0 HG22 THR A 194 13.665 5.065 5.913 1.00 0.15 H new ATOM 0 HG23 THR A 194 14.561 6.328 6.790 1.00 0.15 H new ATOM 2406 N PHE A 195 10.414 6.008 4.951 1.00 0.11 N ATOM 2407 CA PHE A 195 9.902 5.289 3.752 1.00 0.11 C ATOM 2408 C PHE A 195 10.057 6.171 2.511 1.00 0.12 C ATOM 2409 O PHE A 195 10.145 5.683 1.401 1.00 0.14 O ATOM 2410 CB PHE A 195 8.424 4.962 3.954 1.00 0.10 C ATOM 2411 CG PHE A 195 7.849 4.428 2.665 1.00 0.10 C ATOM 2412 CD1 PHE A 195 8.234 3.167 2.197 1.00 1.18 C ATOM 2413 CD2 PHE A 195 6.933 5.196 1.938 1.00 1.21 C ATOM 2414 CE1 PHE A 195 7.701 2.672 1.001 1.00 1.19 C ATOM 2415 CE2 PHE A 195 6.400 4.701 0.742 1.00 1.20 C ATOM 2416 CZ PHE A 195 6.784 3.440 0.274 1.00 0.14 C ATOM 0 H PHE A 195 9.763 6.059 5.734 1.00 0.11 H new ATOM 0 HA PHE A 195 10.471 4.369 3.614 1.00 0.11 H new ATOM 0 HB2 PHE A 195 8.308 4.226 4.749 1.00 0.10 H new ATOM 0 HB3 PHE A 195 7.882 5.855 4.265 1.00 0.10 H new ATOM 0 HD1 PHE A 195 8.942 2.576 2.758 1.00 1.18 H new ATOM 0 HD2 PHE A 195 6.637 6.170 2.299 1.00 1.21 H new ATOM 0 HE1 PHE A 195 7.997 1.698 0.639 1.00 1.19 H new ATOM 0 HE2 PHE A 195 5.692 5.293 0.181 1.00 1.20 H new ATOM 0 HZ PHE A 195 6.373 3.059 -0.649 1.00 0.14 H new ATOM 2426 N VAL A 196 10.093 7.466 2.683 1.00 0.17 N ATOM 2427 CA VAL A 196 10.243 8.363 1.502 1.00 0.22 C ATOM 2428 C VAL A 196 11.683 8.880 1.438 1.00 0.25 C ATOM 2429 O VAL A 196 12.363 8.724 0.445 1.00 0.32 O ATOM 2430 CB VAL A 196 9.278 9.553 1.610 1.00 0.23 C ATOM 2431 CG1 VAL A 196 8.513 9.707 0.296 1.00 0.22 C ATOM 2432 CG2 VAL A 196 8.274 9.323 2.743 1.00 0.29 C ATOM 0 H VAL A 196 10.025 7.938 3.585 1.00 0.17 H new ATOM 0 HA VAL A 196 10.010 7.801 0.598 1.00 0.22 H new ATOM 0 HB VAL A 196 9.855 10.454 1.818 1.00 0.23 H new ATOM 0 HG11 VAL A 196 7.828 10.551 0.371 1.00 0.22 H new ATOM 0 HG12 VAL A 196 9.218 9.883 -0.517 1.00 0.22 H new ATOM 0 HG13 VAL A 196 7.947 8.797 0.095 1.00 0.22 H new ATOM 0 HG21 VAL A 196 7.597 10.175 2.807 1.00 0.29 H new ATOM 0 HG22 VAL A 196 7.701 8.418 2.543 1.00 0.29 H new ATOM 0 HG23 VAL A 196 8.809 9.213 3.686 1.00 0.29 H new ATOM 2442 N GLU A 197 12.154 9.493 2.487 1.00 0.23 N ATOM 2443 CA GLU A 197 13.549 10.018 2.479 1.00 0.28 C ATOM 2444 C GLU A 197 14.529 8.889 2.141 1.00 0.32 C ATOM 2445 O GLU A 197 15.599 9.122 1.613 1.00 0.37 O ATOM 2446 CB GLU A 197 13.886 10.587 3.858 1.00 0.31 C ATOM 2447 CG GLU A 197 13.276 11.983 3.998 1.00 1.18 C ATOM 2448 CD GLU A 197 14.219 12.873 4.809 1.00 1.33 C ATOM 2449 OE1 GLU A 197 14.456 12.555 5.963 1.00 1.46 O ATOM 2450 OE2 GLU A 197 14.690 13.857 4.262 1.00 2.17 O ATOM 0 H GLU A 197 11.634 9.654 3.350 1.00 0.23 H new ATOM 0 HA GLU A 197 13.632 10.803 1.727 1.00 0.28 H new ATOM 0 HB2 GLU A 197 13.501 9.930 4.638 1.00 0.31 H new ATOM 0 HB3 GLU A 197 14.967 10.636 3.988 1.00 0.31 H new ATOM 0 HG2 GLU A 197 13.106 12.418 3.013 1.00 1.18 H new ATOM 0 HG3 GLU A 197 12.306 11.920 4.490 1.00 1.18 H new ATOM 2457 N LEU A 198 14.176 7.669 2.443 1.00 0.32 N ATOM 2458 CA LEU A 198 15.090 6.529 2.141 1.00 0.39 C ATOM 2459 C LEU A 198 15.009 6.178 0.650 1.00 0.38 C ATOM 2460 O LEU A 198 16.012 6.095 -0.030 1.00 0.41 O ATOM 2461 CB LEU A 198 14.677 5.320 2.983 1.00 0.47 C ATOM 2462 CG LEU A 198 15.837 4.331 3.076 1.00 0.55 C ATOM 2463 CD1 LEU A 198 15.858 3.706 4.471 1.00 1.00 C ATOM 2464 CD2 LEU A 198 15.654 3.231 2.033 1.00 1.05 C ATOM 0 H LEU A 198 13.294 7.412 2.886 1.00 0.32 H new ATOM 0 HA LEU A 198 16.116 6.809 2.382 1.00 0.39 H new ATOM 0 HB2 LEU A 198 14.383 5.644 3.981 1.00 0.47 H new ATOM 0 HB3 LEU A 198 13.809 4.835 2.537 1.00 0.47 H new ATOM 0 HG LEU A 198 16.776 4.853 2.893 1.00 0.55 H new ATOM 0 HD11 LEU A 198 16.685 2.999 4.541 1.00 1.00 H new ATOM 0 HD12 LEU A 198 15.986 4.489 5.219 1.00 1.00 H new ATOM 0 HD13 LEU A 198 14.918 3.183 4.650 1.00 1.00 H new ATOM 0 HD21 LEU A 198 16.482 2.525 2.099 1.00 1.05 H new ATOM 0 HD22 LEU A 198 14.716 2.708 2.217 1.00 1.05 H new ATOM 0 HD23 LEU A 198 15.634 3.674 1.037 1.00 1.05 H new ATOM 2476 N TYR A 199 13.825 5.972 0.137 1.00 0.40 N ATOM 2477 CA TYR A 199 13.686 5.628 -1.311 1.00 0.45 C ATOM 2478 C TYR A 199 13.006 6.784 -2.049 1.00 0.44 C ATOM 2479 O TYR A 199 13.515 7.287 -3.030 1.00 0.55 O ATOM 2480 CB TYR A 199 12.829 4.365 -1.465 1.00 0.50 C ATOM 2481 CG TYR A 199 13.630 3.099 -1.190 1.00 0.46 C ATOM 2482 CD1 TYR A 199 15.010 3.139 -0.906 1.00 1.17 C ATOM 2483 CD2 TYR A 199 12.971 1.862 -1.225 1.00 1.41 C ATOM 2484 CE1 TYR A 199 15.708 1.949 -0.662 1.00 1.15 C ATOM 2485 CE2 TYR A 199 13.675 0.679 -0.979 1.00 1.48 C ATOM 2486 CZ TYR A 199 15.041 0.722 -0.698 1.00 0.58 C ATOM 2487 OH TYR A 199 15.733 -0.447 -0.457 1.00 0.69 O ATOM 0 H TYR A 199 12.949 6.027 0.656 1.00 0.40 H new ATOM 0 HA TYR A 199 14.676 5.452 -1.731 1.00 0.45 H new ATOM 0 HB2 TYR A 199 11.982 4.415 -0.780 1.00 0.50 H new ATOM 0 HB3 TYR A 199 12.420 4.324 -2.475 1.00 0.50 H new ATOM 0 HD1 TYR A 199 15.529 4.086 -0.877 1.00 1.17 H new ATOM 0 HD2 TYR A 199 11.914 1.823 -1.443 1.00 1.41 H new ATOM 0 HE1 TYR A 199 16.766 1.980 -0.445 1.00 1.15 H new ATOM 0 HE2 TYR A 199 13.160 -0.270 -1.007 1.00 1.48 H new ATOM 0 HH TYR A 199 15.120 -1.209 -0.519 1.00 0.69 H new ATOM 2497 N GLY A 200 11.859 7.206 -1.589 1.00 0.38 N ATOM 2498 CA GLY A 200 11.147 8.328 -2.268 1.00 0.44 C ATOM 2499 C GLY A 200 12.054 9.559 -2.326 1.00 0.51 C ATOM 2500 O GLY A 200 12.107 10.348 -1.404 1.00 1.10 O ATOM 0 H GLY A 200 11.384 6.822 -0.772 1.00 0.38 H new ATOM 0 HA2 GLY A 200 10.858 8.030 -3.276 1.00 0.44 H new ATOM 0 HA3 GLY A 200 10.229 8.566 -1.731 1.00 0.44 H new ATOM 2504 N ASN A 201 12.770 9.733 -3.403 1.00 0.75 N ATOM 2505 CA ASN A 201 13.671 10.913 -3.516 1.00 0.82 C ATOM 2506 C ASN A 201 12.845 12.198 -3.439 1.00 1.67 C ATOM 2507 O ASN A 201 11.687 12.227 -3.808 1.00 2.47 O ATOM 2508 CB ASN A 201 14.412 10.864 -4.854 1.00 1.64 C ATOM 2509 CG ASN A 201 15.802 10.259 -4.647 1.00 2.33 C ATOM 2510 OD1 ASN A 201 16.798 10.870 -4.978 1.00 2.98 O ATOM 2511 ND2 ASN A 201 15.911 9.076 -4.107 1.00 2.99 N ATOM 0 H ASN A 201 12.769 9.108 -4.209 1.00 0.75 H new ATOM 0 HA ASN A 201 14.393 10.896 -2.699 1.00 0.82 H new ATOM 0 HB2 ASN A 201 13.848 10.269 -5.572 1.00 1.64 H new ATOM 0 HB3 ASN A 201 14.499 11.868 -5.270 1.00 1.64 H new ATOM 0 HD21 ASN A 201 16.833 8.664 -3.963 1.00 2.99 H new ATOM 0 HD22 ASN A 201 15.074 8.563 -3.829 1.00 2.99 H new ATOM 2518 N ASN A 202 13.431 13.262 -2.962 1.00 2.18 N ATOM 2519 CA ASN A 202 12.681 14.546 -2.861 1.00 3.36 C ATOM 2520 C ASN A 202 13.616 15.706 -3.204 1.00 3.68 C ATOM 2521 O ASN A 202 13.776 16.635 -2.437 1.00 4.29 O ATOM 2522 CB ASN A 202 12.157 14.720 -1.435 1.00 4.15 C ATOM 2523 CG ASN A 202 11.830 13.350 -0.839 1.00 4.82 C ATOM 2524 OD1 ASN A 202 10.862 12.723 -1.222 1.00 4.96 O ATOM 2525 ND2 ASN A 202 12.601 12.855 0.090 1.00 5.59 N ATOM 0 H ASN A 202 14.397 13.298 -2.638 1.00 2.18 H new ATOM 0 HA ASN A 202 11.842 14.534 -3.557 1.00 3.36 H new ATOM 0 HB2 ASN A 202 12.903 15.226 -0.822 1.00 4.15 H new ATOM 0 HB3 ASN A 202 11.267 15.349 -1.438 1.00 4.15 H new ATOM 0 HD21 ASN A 202 12.391 11.942 0.494 1.00 5.59 H new ATOM 0 HD22 ASN A 202 13.414 13.381 0.412 1.00 5.59 H new ATOM 2532 N ALA A 203 14.237 15.661 -4.350 1.00 3.72 N ATOM 2533 CA ALA A 203 15.163 16.763 -4.738 1.00 4.42 C ATOM 2534 C ALA A 203 16.223 16.954 -3.647 1.00 4.28 C ATOM 2535 O ALA A 203 16.789 18.019 -3.502 1.00 4.99 O ATOM 2536 CB ALA A 203 14.368 18.059 -4.907 1.00 5.44 C ATOM 0 H ALA A 203 14.144 14.910 -5.034 1.00 3.72 H new ATOM 0 HA ALA A 203 15.653 16.509 -5.678 1.00 4.42 H new ATOM 0 HB1 ALA A 203 15.044 18.866 -5.191 1.00 5.44 H new ATOM 0 HB2 ALA A 203 13.616 17.926 -5.684 1.00 5.44 H new ATOM 0 HB3 ALA A 203 13.878 18.310 -3.967 1.00 5.44 H new ATOM 2542 N ALA A 204 16.497 15.933 -2.877 1.00 3.76 N ATOM 2543 CA ALA A 204 17.520 16.066 -1.801 1.00 4.25 C ATOM 2544 C ALA A 204 18.896 15.657 -2.336 1.00 3.87 C ATOM 2545 O ALA A 204 19.916 16.085 -1.833 1.00 4.00 O ATOM 2546 CB ALA A 204 17.143 15.162 -0.626 1.00 4.61 C ATOM 0 H ALA A 204 16.057 15.015 -2.947 1.00 3.76 H new ATOM 0 HA ALA A 204 17.558 17.104 -1.469 1.00 4.25 H new ATOM 0 HB1 ALA A 204 17.890 15.258 0.162 1.00 4.61 H new ATOM 0 HB2 ALA A 204 16.168 15.457 -0.239 1.00 4.61 H new ATOM 0 HB3 ALA A 204 17.102 14.126 -0.962 1.00 4.61 H new ATOM 2552 N ALA A 205 18.937 14.833 -3.350 1.00 3.91 N ATOM 2553 CA ALA A 205 20.250 14.400 -3.910 1.00 4.03 C ATOM 2554 C ALA A 205 21.092 15.630 -4.262 1.00 4.30 C ATOM 2555 O ALA A 205 22.272 15.688 -3.977 1.00 4.66 O ATOM 2556 CB ALA A 205 20.017 13.565 -5.171 1.00 4.64 C ATOM 0 H ALA A 205 18.118 14.441 -3.814 1.00 3.91 H new ATOM 0 HA ALA A 205 20.778 13.801 -3.168 1.00 4.03 H new ATOM 0 HB1 ALA A 205 20.976 13.249 -5.580 1.00 4.64 H new ATOM 0 HB2 ALA A 205 19.422 12.687 -4.921 1.00 4.64 H new ATOM 0 HB3 ALA A 205 19.487 14.164 -5.911 1.00 4.64 H new ATOM 2562 N GLU A 206 20.496 16.613 -4.879 1.00 4.60 N ATOM 2563 CA GLU A 206 21.264 17.836 -5.247 1.00 5.27 C ATOM 2564 C GLU A 206 22.487 17.441 -6.079 1.00 5.62 C ATOM 2565 O GLU A 206 23.508 18.099 -6.050 1.00 6.25 O ATOM 2566 CB GLU A 206 21.723 18.552 -3.974 1.00 6.06 C ATOM 2567 CG GLU A 206 20.506 18.903 -3.116 1.00 6.41 C ATOM 2568 CD GLU A 206 19.832 20.158 -3.674 1.00 7.08 C ATOM 2569 OE1 GLU A 206 20.302 21.243 -3.372 1.00 7.32 O ATOM 2570 OE2 GLU A 206 18.857 20.013 -4.394 1.00 7.62 O ATOM 0 H GLU A 206 19.511 16.622 -5.144 1.00 4.60 H new ATOM 0 HA GLU A 206 20.628 18.502 -5.830 1.00 5.27 H new ATOM 0 HB2 GLU A 206 22.405 17.914 -3.412 1.00 6.06 H new ATOM 0 HB3 GLU A 206 22.272 19.457 -4.232 1.00 6.06 H new ATOM 0 HG2 GLU A 206 19.801 18.072 -3.109 1.00 6.41 H new ATOM 0 HG3 GLU A 206 20.812 19.070 -2.083 1.00 6.41 H new ATOM 2577 N SER A 207 22.393 16.371 -6.821 1.00 5.53 N ATOM 2578 CA SER A 207 23.552 15.936 -7.652 1.00 6.21 C ATOM 2579 C SER A 207 23.201 16.063 -9.137 1.00 6.47 C ATOM 2580 O SER A 207 24.055 16.310 -9.964 1.00 6.66 O ATOM 2581 CB SER A 207 23.888 14.479 -7.332 1.00 6.74 C ATOM 2582 OG SER A 207 24.832 13.995 -8.280 1.00 7.33 O ATOM 0 H SER A 207 21.565 15.780 -6.888 1.00 5.53 H new ATOM 0 HA SER A 207 24.412 16.568 -7.430 1.00 6.21 H new ATOM 0 HB2 SER A 207 24.295 14.401 -6.324 1.00 6.74 H new ATOM 0 HB3 SER A 207 22.984 13.871 -7.359 1.00 6.74 H new ATOM 0 HG SER A 207 25.051 13.062 -8.077 1.00 7.33 H new ATOM 2588 N ARG A 208 21.949 15.895 -9.478 1.00 6.78 N ATOM 2589 CA ARG A 208 21.529 16.002 -10.907 1.00 7.32 C ATOM 2590 C ARG A 208 22.186 14.889 -11.730 1.00 7.61 C ATOM 2591 O ARG A 208 21.578 13.874 -12.007 1.00 7.56 O ATOM 2592 CB ARG A 208 21.932 17.370 -11.470 1.00 7.35 C ATOM 2593 CG ARG A 208 20.705 18.284 -11.534 1.00 8.14 C ATOM 2594 CD ARG A 208 20.934 19.508 -10.646 1.00 8.67 C ATOM 2595 NE ARG A 208 21.229 19.065 -9.254 1.00 9.18 N ATOM 2596 CZ ARG A 208 20.566 19.573 -8.252 1.00 9.70 C ATOM 2597 NH1 ARG A 208 19.351 19.167 -8.000 1.00 9.84 N ATOM 2598 NH2 ARG A 208 21.118 20.487 -7.502 1.00 10.28 N ATOM 0 H ARG A 208 21.195 15.687 -8.823 1.00 6.78 H new ATOM 0 HA ARG A 208 20.446 15.897 -10.966 1.00 7.32 H new ATOM 0 HB2 ARG A 208 22.700 17.820 -10.842 1.00 7.35 H new ATOM 0 HB3 ARG A 208 22.362 17.252 -12.465 1.00 7.35 H new ATOM 0 HG2 ARG A 208 20.524 18.596 -12.563 1.00 8.14 H new ATOM 0 HG3 ARG A 208 19.818 17.743 -11.204 1.00 8.14 H new ATOM 0 HD2 ARG A 208 21.762 20.101 -11.033 1.00 8.67 H new ATOM 0 HD3 ARG A 208 20.052 20.148 -10.656 1.00 8.67 H new ATOM 0 HE ARG A 208 21.950 18.364 -9.085 1.00 9.18 H new ATOM 0 HH11 ARG A 208 18.920 18.452 -8.587 1.00 9.84 H new ATOM 0 HH12 ARG A 208 18.833 19.564 -7.216 1.00 9.84 H new ATOM 0 HH21 ARG A 208 22.067 20.804 -7.699 1.00 10.28 H new ATOM 0 HH22 ARG A 208 20.600 20.885 -6.718 1.00 10.28 H new ATOM 2612 N LYS A 209 23.418 15.066 -12.127 1.00 8.12 N ATOM 2613 CA LYS A 209 24.098 14.012 -12.933 1.00 8.56 C ATOM 2614 C LYS A 209 24.126 12.693 -12.139 1.00 8.58 C ATOM 2615 O LYS A 209 23.157 11.961 -12.125 1.00 8.84 O ATOM 2616 CB LYS A 209 25.519 14.469 -13.274 1.00 9.31 C ATOM 2617 CG LYS A 209 25.505 15.230 -14.600 1.00 9.80 C ATOM 2618 CD LYS A 209 26.319 14.459 -15.640 1.00 10.41 C ATOM 2619 CE LYS A 209 27.803 14.521 -15.274 1.00 10.88 C ATOM 2620 NZ LYS A 209 28.209 13.246 -14.617 1.00 11.60 N ATOM 0 H LYS A 209 23.981 15.893 -11.928 1.00 8.12 H new ATOM 0 HA LYS A 209 23.552 13.846 -13.862 1.00 8.56 H new ATOM 0 HB2 LYS A 209 25.908 15.107 -12.480 1.00 9.31 H new ATOM 0 HB3 LYS A 209 26.183 13.607 -13.344 1.00 9.31 H new ATOM 0 HG2 LYS A 209 24.480 15.358 -14.947 1.00 9.80 H new ATOM 0 HG3 LYS A 209 25.922 16.228 -14.463 1.00 9.80 H new ATOM 0 HD2 LYS A 209 25.987 13.422 -15.682 1.00 10.41 H new ATOM 0 HD3 LYS A 209 26.160 14.885 -16.631 1.00 10.41 H new ATOM 0 HE2 LYS A 209 28.402 14.688 -16.169 1.00 10.88 H new ATOM 0 HE3 LYS A 209 27.988 15.362 -14.605 1.00 10.88 H new ATOM 0 HZ1 LYS A 209 29.130 12.941 -14.991 1.00 11.60 H new ATOM 0 HZ2 LYS A 209 28.284 13.393 -13.590 1.00 11.60 H new ATOM 0 HZ3 LYS A 209 27.497 12.513 -14.811 1.00 11.60 H new ATOM 2634 N GLY A 210 25.212 12.372 -11.475 1.00 8.51 N ATOM 2635 CA GLY A 210 25.251 11.099 -10.699 1.00 8.75 C ATOM 2636 C GLY A 210 25.814 9.962 -11.562 1.00 8.53 C ATOM 2637 O GLY A 210 26.562 9.132 -11.087 1.00 8.86 O ATOM 0 H GLY A 210 26.063 12.933 -11.439 1.00 8.51 H new ATOM 0 HA2 GLY A 210 25.867 11.227 -9.809 1.00 8.75 H new ATOM 0 HA3 GLY A 210 24.248 10.843 -10.358 1.00 8.75 H new ATOM 2641 N GLN A 211 25.459 9.911 -12.821 1.00 8.15 N ATOM 2642 CA GLN A 211 25.973 8.820 -13.702 1.00 8.08 C ATOM 2643 C GLN A 211 27.506 8.751 -13.620 1.00 7.78 C ATOM 2644 O GLN A 211 28.050 8.045 -12.793 1.00 8.33 O ATOM 2645 CB GLN A 211 25.534 9.083 -15.146 1.00 8.99 C ATOM 2646 CG GLN A 211 24.279 8.267 -15.459 1.00 9.55 C ATOM 2647 CD GLN A 211 24.683 6.866 -15.923 1.00 9.83 C ATOM 2648 OE1 GLN A 211 24.236 5.879 -15.373 1.00 10.02 O ATOM 2649 NE2 GLN A 211 25.517 6.737 -16.918 1.00 10.08 N ATOM 0 H GLN A 211 24.836 10.578 -13.276 1.00 8.15 H new ATOM 0 HA GLN A 211 25.565 7.866 -13.369 1.00 8.08 H new ATOM 0 HB2 GLN A 211 25.334 10.145 -15.288 1.00 8.99 H new ATOM 0 HB3 GLN A 211 26.335 8.815 -15.835 1.00 8.99 H new ATOM 0 HG2 GLN A 211 23.646 8.200 -14.574 1.00 9.55 H new ATOM 0 HG3 GLN A 211 23.694 8.763 -16.233 1.00 9.55 H new ATOM 0 HE21 GLN A 211 25.892 7.566 -17.380 1.00 10.08 H new ATOM 0 HE22 GLN A 211 25.794 5.808 -17.234 1.00 10.08 H new ATOM 2658 N GLU A 212 28.210 9.470 -14.461 1.00 7.09 N ATOM 2659 CA GLU A 212 29.701 9.429 -14.415 1.00 6.97 C ATOM 2660 C GLU A 212 30.183 7.977 -14.485 1.00 6.56 C ATOM 2661 O GLU A 212 30.594 7.405 -13.495 1.00 6.35 O ATOM 2662 CB GLU A 212 30.193 10.067 -13.115 1.00 6.66 C ATOM 2663 CG GLU A 212 31.651 10.499 -13.283 1.00 7.14 C ATOM 2664 CD GLU A 212 31.978 11.598 -12.270 1.00 7.47 C ATOM 2665 OE1 GLU A 212 31.098 11.950 -11.503 1.00 7.90 O ATOM 2666 OE2 GLU A 212 33.104 12.068 -12.280 1.00 7.56 O ATOM 0 H GLU A 212 27.815 10.082 -15.175 1.00 7.09 H new ATOM 0 HA GLU A 212 30.100 9.982 -15.265 1.00 6.97 H new ATOM 0 HB2 GLU A 212 29.574 10.928 -12.862 1.00 6.66 H new ATOM 0 HB3 GLU A 212 30.105 9.358 -12.292 1.00 6.66 H new ATOM 0 HG2 GLU A 212 32.313 9.646 -13.136 1.00 7.14 H new ATOM 0 HG3 GLU A 212 31.819 10.862 -14.297 1.00 7.14 H new ATOM 2673 N ARG A 213 30.137 7.382 -15.649 1.00 6.74 N ATOM 2674 CA ARG A 213 30.592 5.967 -15.800 1.00 6.62 C ATOM 2675 C ARG A 213 29.613 5.021 -15.092 1.00 6.17 C ATOM 2676 O ARG A 213 28.906 4.263 -15.727 1.00 6.17 O ATOM 2677 CB ARG A 213 31.992 5.808 -15.199 1.00 7.20 C ATOM 2678 CG ARG A 213 32.776 4.764 -15.997 1.00 7.62 C ATOM 2679 CD ARG A 213 33.926 4.227 -15.143 1.00 8.35 C ATOM 2680 NE ARG A 213 34.255 2.838 -15.570 1.00 8.93 N ATOM 2681 CZ ARG A 213 33.341 1.907 -15.525 1.00 9.68 C ATOM 2682 NH1 ARG A 213 33.158 1.225 -14.428 1.00 10.05 N ATOM 2683 NH2 ARG A 213 32.610 1.660 -16.577 1.00 10.26 N ATOM 0 H ARG A 213 29.801 7.819 -16.507 1.00 6.74 H new ATOM 0 HA ARG A 213 30.624 5.715 -16.860 1.00 6.62 H new ATOM 0 HB2 ARG A 213 32.517 6.763 -15.216 1.00 7.20 H new ATOM 0 HB3 ARG A 213 31.918 5.503 -14.155 1.00 7.20 H new ATOM 0 HG2 ARG A 213 32.117 3.948 -16.294 1.00 7.62 H new ATOM 0 HG3 ARG A 213 33.166 5.208 -16.913 1.00 7.62 H new ATOM 0 HD2 ARG A 213 34.801 4.868 -15.248 1.00 8.35 H new ATOM 0 HD3 ARG A 213 33.647 4.239 -14.089 1.00 8.35 H new ATOM 0 HE ARG A 213 35.195 2.614 -15.898 1.00 8.93 H new ATOM 0 HH11 ARG A 213 33.729 1.419 -13.605 1.00 10.05 H new ATOM 0 HH12 ARG A 213 32.444 0.498 -14.393 1.00 10.05 H new ATOM 0 HH21 ARG A 213 32.753 2.194 -17.434 1.00 10.26 H new ATOM 0 HH22 ARG A 213 31.896 0.933 -16.542 1.00 10.26 H new ATOM 2697 N LEU A 214 29.564 5.053 -13.788 1.00 6.19 N ATOM 2698 CA LEU A 214 28.628 4.149 -13.057 1.00 6.25 C ATOM 2699 C LEU A 214 28.485 4.619 -11.607 1.00 6.00 C ATOM 2700 O LEU A 214 28.311 3.820 -10.709 1.00 6.32 O ATOM 2701 CB LEU A 214 29.164 2.707 -13.093 1.00 6.89 C ATOM 2702 CG LEU A 214 30.449 2.575 -12.258 1.00 7.74 C ATOM 2703 CD1 LEU A 214 30.799 1.094 -12.101 1.00 8.54 C ATOM 2704 CD2 LEU A 214 31.604 3.289 -12.964 1.00 8.29 C ATOM 0 H LEU A 214 30.129 5.664 -13.198 1.00 6.19 H new ATOM 0 HA LEU A 214 27.650 4.176 -13.538 1.00 6.25 H new ATOM 0 HB2 LEU A 214 28.406 2.024 -12.710 1.00 6.89 H new ATOM 0 HB3 LEU A 214 29.365 2.416 -14.124 1.00 6.89 H new ATOM 0 HG LEU A 214 30.288 3.026 -11.279 1.00 7.74 H new ATOM 0 HD11 LEU A 214 31.709 0.996 -11.510 1.00 8.54 H new ATOM 0 HD12 LEU A 214 29.982 0.578 -11.597 1.00 8.54 H new ATOM 0 HD13 LEU A 214 30.956 0.651 -13.084 1.00 8.54 H new ATOM 0 HD21 LEU A 214 32.511 3.192 -12.367 1.00 8.29 H new ATOM 0 HD22 LEU A 214 31.765 2.840 -13.944 1.00 8.29 H new ATOM 0 HD23 LEU A 214 31.360 4.345 -13.084 1.00 8.29 H new ATOM 2716 N GLU A 215 28.564 5.912 -11.388 1.00 5.81 N ATOM 2717 CA GLU A 215 28.443 6.485 -10.007 1.00 5.99 C ATOM 2718 C GLU A 215 29.263 5.655 -9.015 1.00 5.72 C ATOM 2719 O GLU A 215 28.919 5.532 -7.856 1.00 5.92 O ATOM 2720 CB GLU A 215 26.964 6.544 -9.578 1.00 6.58 C ATOM 2721 CG GLU A 215 26.388 5.142 -9.342 1.00 7.29 C ATOM 2722 CD GLU A 215 25.195 5.243 -8.389 1.00 7.93 C ATOM 2723 OE1 GLU A 215 24.474 6.223 -8.476 1.00 8.33 O ATOM 2724 OE2 GLU A 215 25.025 4.340 -7.587 1.00 8.25 O ATOM 0 H GLU A 215 28.710 6.606 -12.121 1.00 5.81 H new ATOM 0 HA GLU A 215 28.837 7.501 -10.013 1.00 5.99 H new ATOM 0 HB2 GLU A 215 26.872 7.134 -8.666 1.00 6.58 H new ATOM 0 HB3 GLU A 215 26.382 7.053 -10.346 1.00 6.58 H new ATOM 0 HG2 GLU A 215 26.077 4.700 -10.288 1.00 7.29 H new ATOM 0 HG3 GLU A 215 27.151 4.488 -8.920 1.00 7.29 H new ATOM 2731 N HIS A 216 30.345 5.082 -9.467 1.00 5.70 N ATOM 2732 CA HIS A 216 31.191 4.257 -8.561 1.00 5.92 C ATOM 2733 C HIS A 216 32.645 4.320 -9.032 1.00 5.79 C ATOM 2734 O HIS A 216 32.987 5.076 -9.920 1.00 6.29 O ATOM 2735 CB HIS A 216 30.708 2.806 -8.600 1.00 6.28 C ATOM 2736 CG HIS A 216 30.292 2.374 -7.222 1.00 7.07 C ATOM 2737 ND1 HIS A 216 31.092 1.568 -6.427 1.00 7.53 N ATOM 2738 CD2 HIS A 216 29.162 2.625 -6.484 1.00 7.78 C ATOM 2739 CE1 HIS A 216 30.439 1.365 -5.269 1.00 8.43 C ATOM 2740 NE2 HIS A 216 29.257 1.987 -5.251 1.00 8.61 N ATOM 0 H HIS A 216 30.680 5.150 -10.428 1.00 5.70 H new ATOM 0 HA HIS A 216 31.119 4.639 -7.543 1.00 5.92 H new ATOM 0 HB2 HIS A 216 29.870 2.710 -9.290 1.00 6.28 H new ATOM 0 HB3 HIS A 216 31.502 2.158 -8.971 1.00 6.28 H new ATOM 0 HD2 HIS A 216 28.326 3.226 -6.811 1.00 7.78 H new ATOM 0 HE1 HIS A 216 30.823 0.771 -4.453 1.00 8.43 H new ATOM 0 HE2 HIS A 216 28.571 1.993 -4.496 1.00 8.61 H new ATOM 2748 N HIS A 217 33.503 3.531 -8.448 1.00 5.49 N ATOM 2749 CA HIS A 217 34.934 3.545 -8.867 1.00 5.77 C ATOM 2750 C HIS A 217 35.395 2.116 -9.172 1.00 5.60 C ATOM 2751 O HIS A 217 36.567 1.806 -9.098 1.00 5.70 O ATOM 2752 CB HIS A 217 35.789 4.125 -7.738 1.00 6.24 C ATOM 2753 CG HIS A 217 35.808 5.626 -7.842 1.00 6.75 C ATOM 2754 ND1 HIS A 217 35.401 6.444 -6.800 1.00 7.50 N ATOM 2755 CD2 HIS A 217 36.184 6.471 -8.857 1.00 6.96 C ATOM 2756 CE1 HIS A 217 35.540 7.719 -7.207 1.00 8.08 C ATOM 2757 NE2 HIS A 217 36.013 7.792 -8.454 1.00 7.82 N ATOM 0 H HIS A 217 33.276 2.877 -7.699 1.00 5.49 H new ATOM 0 HA HIS A 217 35.043 4.159 -9.761 1.00 5.77 H new ATOM 0 HB2 HIS A 217 35.387 3.822 -6.771 1.00 6.24 H new ATOM 0 HB3 HIS A 217 36.804 3.733 -7.798 1.00 6.24 H new ATOM 0 HD2 HIS A 217 36.556 6.158 -9.821 1.00 6.96 H new ATOM 0 HE1 HIS A 217 35.299 8.579 -6.599 1.00 8.08 H new ATOM 0 HE2 HIS A 217 36.207 8.635 -8.995 1.00 7.82 H new ATOM 2765 N HIS A 218 34.484 1.241 -9.515 1.00 5.74 N ATOM 2766 CA HIS A 218 34.874 -0.164 -9.824 1.00 6.00 C ATOM 2767 C HIS A 218 35.678 -0.742 -8.655 1.00 5.61 C ATOM 2768 O HIS A 218 36.687 -1.393 -8.842 1.00 5.53 O ATOM 2769 CB HIS A 218 35.719 -0.188 -11.100 1.00 6.86 C ATOM 2770 CG HIS A 218 35.144 -1.193 -12.060 1.00 7.24 C ATOM 2771 ND1 HIS A 218 35.164 -1.000 -13.433 1.00 7.76 N ATOM 2772 CD2 HIS A 218 34.528 -2.404 -11.861 1.00 7.50 C ATOM 2773 CE1 HIS A 218 34.576 -2.069 -14.001 1.00 8.25 C ATOM 2774 NE2 HIS A 218 34.170 -2.955 -13.088 1.00 8.11 N ATOM 0 H HIS A 218 33.487 1.441 -9.594 1.00 5.74 H new ATOM 0 HA HIS A 218 33.979 -0.768 -9.974 1.00 6.00 H new ATOM 0 HB2 HIS A 218 35.735 0.801 -11.558 1.00 6.86 H new ATOM 0 HB3 HIS A 218 36.751 -0.445 -10.861 1.00 6.86 H new ATOM 0 HD2 HIS A 218 34.349 -2.860 -10.898 1.00 7.50 H new ATOM 0 HE1 HIS A 218 34.448 -2.195 -15.066 1.00 8.25 H new ATOM 0 HE2 HIS A 218 33.699 -3.844 -13.254 1.00 8.11 H new ATOM 2782 N HIS A 219 35.236 -0.509 -7.449 1.00 5.68 N ATOM 2783 CA HIS A 219 35.970 -1.043 -6.267 1.00 5.63 C ATOM 2784 C HIS A 219 36.156 -2.555 -6.418 1.00 5.94 C ATOM 2785 O HIS A 219 37.109 -3.124 -5.924 1.00 6.37 O ATOM 2786 CB HIS A 219 35.169 -0.753 -4.996 1.00 5.78 C ATOM 2787 CG HIS A 219 35.933 -1.245 -3.797 1.00 5.87 C ATOM 2788 ND1 HIS A 219 35.806 -2.541 -3.321 1.00 6.16 N ATOM 2789 CD2 HIS A 219 36.838 -0.628 -2.969 1.00 6.15 C ATOM 2790 CE1 HIS A 219 36.614 -2.660 -2.252 1.00 6.59 C ATOM 2791 NE2 HIS A 219 37.266 -1.524 -1.994 1.00 6.60 N ATOM 0 H HIS A 219 34.397 0.029 -7.231 1.00 5.68 H new ATOM 0 HA HIS A 219 36.946 -0.563 -6.200 1.00 5.63 H new ATOM 0 HB2 HIS A 219 34.983 0.317 -4.907 1.00 5.78 H new ATOM 0 HB3 HIS A 219 34.197 -1.243 -5.047 1.00 5.78 H new ATOM 0 HD2 HIS A 219 37.167 0.396 -3.060 1.00 6.15 H new ATOM 0 HE1 HIS A 219 36.722 -3.565 -1.673 1.00 6.59 H new ATOM 0 HE2 HIS A 219 37.934 -1.350 -1.243 1.00 6.60 H new ATOM 2799 N HIS A 220 35.254 -3.209 -7.097 1.00 6.09 N ATOM 2800 CA HIS A 220 35.383 -4.683 -7.278 1.00 6.76 C ATOM 2801 C HIS A 220 36.662 -4.990 -8.058 1.00 7.66 C ATOM 2802 O HIS A 220 36.711 -4.858 -9.265 1.00 8.02 O ATOM 2803 CB HIS A 220 34.173 -5.209 -8.053 1.00 6.75 C ATOM 2804 CG HIS A 220 34.360 -6.674 -8.340 1.00 7.34 C ATOM 2805 ND1 HIS A 220 35.219 -7.129 -9.328 1.00 7.34 N ATOM 2806 CD2 HIS A 220 33.805 -7.797 -7.779 1.00 8.23 C ATOM 2807 CE1 HIS A 220 35.157 -8.473 -9.331 1.00 8.19 C ATOM 2808 NE2 HIS A 220 34.309 -8.932 -8.406 1.00 8.73 N ATOM 0 H HIS A 220 34.434 -2.787 -7.534 1.00 6.09 H new ATOM 0 HA HIS A 220 35.428 -5.167 -6.302 1.00 6.76 H new ATOM 0 HB2 HIS A 220 33.262 -5.054 -7.475 1.00 6.75 H new ATOM 0 HB3 HIS A 220 34.057 -4.657 -8.985 1.00 6.75 H new ATOM 0 HD1 HIS A 220 35.793 -6.550 -9.941 1.00 7.34 H new ATOM 0 HD2 HIS A 220 33.086 -7.799 -6.973 1.00 8.23 H new ATOM 0 HE1 HIS A 220 35.724 -9.104 -10.000 1.00 8.19 H new ATOM 2816 N HIS A 221 37.699 -5.400 -7.380 1.00 8.28 N ATOM 2817 CA HIS A 221 38.973 -5.715 -8.085 1.00 9.35 C ATOM 2818 C HIS A 221 39.264 -7.213 -7.970 1.00 9.88 C ATOM 2819 O HIS A 221 38.427 -7.918 -7.430 1.00 10.32 O ATOM 2820 CB HIS A 221 40.118 -4.924 -7.448 1.00 9.79 C ATOM 2821 CG HIS A 221 39.804 -3.454 -7.505 1.00 10.22 C ATOM 2822 ND1 HIS A 221 40.096 -2.594 -6.457 1.00 10.46 N ATOM 2823 CD2 HIS A 221 39.225 -2.677 -8.478 1.00 10.70 C ATOM 2824 CE1 HIS A 221 39.694 -1.362 -6.820 1.00 11.06 C ATOM 2825 NE2 HIS A 221 39.157 -1.356 -8.043 1.00 11.23 N ATOM 2826 OXT HIS A 221 40.317 -7.628 -8.423 1.00 10.01 O ATOM 0 H HIS A 221 37.719 -5.530 -6.369 1.00 8.28 H new ATOM 0 HA HIS A 221 38.882 -5.442 -9.136 1.00 9.35 H new ATOM 0 HB2 HIS A 221 40.259 -5.237 -6.413 1.00 9.79 H new ATOM 0 HB3 HIS A 221 41.051 -5.128 -7.973 1.00 9.79 H new ATOM 0 HD2 HIS A 221 38.876 -3.036 -9.435 1.00 10.70 H new ATOM 0 HE1 HIS A 221 39.794 -0.485 -6.198 1.00 11.06 H new ATOM 0 HE2 HIS A 221 38.778 -0.556 -8.549 1.00 11.23 H new TER 2834 HIS A 221 HETATM 2835 C1 N3B A1000 4.921 -11.223 -2.655 1.00 1.52 C HETATM 2836 C2 N3B A1000 4.390 -11.203 -3.941 1.00 0.94 C HETATM 2837 C3 N3B A1000 4.862 -10.279 -4.867 1.00 1.45 C HETATM 2838 C4 N3B A1000 5.859 -9.380 -4.504 1.00 1.40 C HETATM 2839 C5 N3B A1000 6.394 -9.393 -3.223 1.00 0.74 C HETATM 2840 C6 N3B A1000 5.922 -10.318 -2.300 1.00 1.45 C HETATM 2841 F7 N3B A1000 3.435 -12.064 -4.281 1.00 1.04 F HETATM 2842 C8 N3B A1000 7.438 -8.457 -2.860 1.00 0.65 C HETATM 2843 C9 N3B A1000 8.636 -8.458 -3.557 1.00 1.24 C HETATM 2844 C10 N3B A1000 9.653 -7.565 -3.223 1.00 1.24 C HETATM 2845 C11 N3B A1000 9.478 -6.658 -2.183 1.00 0.51 C HETATM 2846 C12 N3B A1000 8.281 -6.651 -1.481 1.00 1.35 C HETATM 2847 C13 N3B A1000 7.260 -7.553 -1.820 1.00 1.40 C HETATM 2848 C14 N3B A1000 10.555 -5.744 -1.866 1.00 0.47 C HETATM 2849 O15 N3B A1000 11.511 -5.660 -2.629 1.00 0.63 O HETATM 2850 N16 N3B A1000 10.554 -4.976 -0.762 1.00 0.44 N HETATM 2851 S17 N3B A1000 11.918 -3.882 -0.454 1.00 0.39 S HETATM 2852 C18 N3B A1000 11.941 -2.571 -1.586 1.00 0.33 C HETATM 2853 C19 N3B A1000 10.929 -1.612 -1.565 1.00 0.24 C HETATM 2854 C20 N3B A1000 10.940 -0.555 -2.471 1.00 0.25 C HETATM 2855 C21 N3B A1000 11.964 -0.444 -3.409 1.00 0.33 C HETATM 2856 C22 N3B A1000 12.975 -1.401 -3.429 1.00 0.42 C HETATM 2857 C23 N3B A1000 12.963 -2.464 -2.517 1.00 0.42 C HETATM 2858 O24 N3B A1000 13.154 -4.594 -0.591 1.00 0.47 O HETATM 2859 O25 N3B A1000 11.817 -3.359 0.878 1.00 0.41 O HETATM 2860 N26 N3B A1000 9.922 0.357 -2.407 1.00 0.27 N HETATM 2861 O27 N3B A1000 9.031 0.234 -1.570 1.00 0.96 O HETATM 2862 O28 N3B A1000 9.826 1.315 -3.142 1.00 0.94 O HETATM 2863 N29 N3B A1000 12.032 0.592 -4.346 1.00 0.39 N HETATM 2864 C30 N3B A1000 13.063 0.783 -5.353 1.00 0.52 C HETATM 2865 C31 N3B A1000 12.846 -0.170 -6.545 1.00 0.88 C HETATM 2866 S32 N3B A1000 11.093 -0.253 -7.014 1.00 0.58 S HETATM 2867 C33 N3B A1000 9.995 -1.240 -6.116 1.00 0.45 C HETATM 2868 C34 N3B A1000 9.078 -0.644 -5.257 1.00 1.35 C HETATM 2869 C35 N3B A1000 8.195 -1.432 -4.529 1.00 1.33 C HETATM 2870 C36 N3B A1000 8.228 -2.815 -4.661 1.00 0.54 C HETATM 2871 C37 N3B A1000 9.145 -3.410 -5.520 1.00 1.21 C HETATM 2872 C38 N3B A1000 10.028 -2.623 -6.248 1.00 1.16 C HETATM 0 HL N3B A1000 7.535 -3.433 -4.091 1.00 0.54 H new HETATM 0 HK2 N3B A1000 9.171 -4.495 -5.622 1.00 1.21 H new HETATM 0 HK1 N3B A1000 7.477 -0.966 -3.855 1.00 1.33 H new HETATM 0 HJ2 N3B A1000 10.746 -3.090 -6.922 1.00 1.16 H new HETATM 0 HJ1 N3B A1000 9.052 0.441 -5.155 1.00 1.35 H new HETATM 0 HI2 N3B A1000 13.437 0.169 -7.396 1.00 0.88 H new HETATM 0 HI1 N3B A1000 13.203 -1.167 -6.286 1.00 0.88 H new HETATM 0 HH2 N3B A1000 13.051 1.816 -5.701 1.00 0.52 H new HETATM 0 HH1 N3B A1000 14.045 0.605 -4.913 1.00 0.52 H new HETATM 0 HG N3B A1000 10.124 -1.690 -0.834 1.00 0.24 H new HETATM 0 HF N3B A1000 13.781 -1.323 -4.159 1.00 0.42 H new HETATM 0 HE N3B A1000 13.759 -3.209 -2.539 1.00 0.42 H new HETATM 0 HD2 N3B A1000 8.133 -5.944 -0.665 1.00 1.35 H new HETATM 0 HD1 N3B A1000 10.590 -7.578 -3.780 1.00 1.24 H new HETATM 0 HC2 N3B A1000 6.322 -7.544 -1.264 1.00 1.40 H new HETATM 0 HC1 N3B A1000 8.784 -9.164 -4.374 1.00 1.24 H new HETATM 0 HB2 N3B A1000 6.336 -10.337 -1.292 1.00 1.45 H new HETATM 0 HB1 N3B A1000 6.224 -8.657 -5.233 1.00 1.40 H new HETATM 0 HA2 N3B A1000 4.451 -10.259 -5.876 1.00 1.45 H new HETATM 0 HA1 N3B A1000 4.555 -11.945 -1.925 1.00 1.52 H new HETATM 0 H51 N3B A1000 11.283 1.283 -4.320 1.00 0.39 H new HETATM 0 H47 N3B A1000 9.774 -5.022 -0.106 1.00 0.44 H new CONECT 2835 2836 2840 2873 CONECT 2836 2835 2837 2841 CONECT 2837 2836 2838 2874 CONECT 2838 2837 2839 2875 CONECT 2839 2838 2840 2842 CONECT 2840 2835 2839 2876 CONECT 2841 2836 CONECT 2842 2839 2843 2847 CONECT 2843 2842 2844 2877 CONECT 2844 2843 2845 2878 CONECT 2845 2844 2846 2848 CONECT 2846 2845 2847 2879 CONECT 2847 2842 2846 2880 CONECT 2848 2845 2849 2850 CONECT 2849 2848 CONECT 2850 2848 2851 2881 CONECT 2851 2850 2852 2858 2859 CONECT 2852 2851 2853 2857 CONECT 2853 2852 2854 2882 CONECT 2854 2853 2855 2860 CONECT 2855 2854 2856 2863 CONECT 2856 2855 2857 2883 CONECT 2857 2852 2856 2884 CONECT 2858 2851 CONECT 2859 2851 CONECT 2860 2854 2861 2862 CONECT 2861 2860 CONECT 2862 2860 CONECT 2863 2855 2864 2885 CONECT 2864 2863 2865 2886 2887 CONECT 2865 2864 2866 2888 2889 CONECT 2866 2865 2867 CONECT 2867 2866 2868 2872 CONECT 2868 2867 2869 2890 CONECT 2869 2868 2870 2891 CONECT 2870 2869 2871 2892 CONECT 2871 2870 2872 2893 CONECT 2872 2867 2871 2894 CONECT 2873 2835 CONECT 2874 2837 CONECT 2875 2838 CONECT 2876 2840 CONECT 2877 2843 CONECT 2878 2844 CONECT 2879 2846 CONECT 2880 2847 CONECT 2881 2850 CONECT 2882 2853 CONECT 2883 2856 CONECT 2884 2857 CONECT 2885 2863 CONECT 2886 2864 CONECT 2887 2864 CONECT 2888 2865 CONECT 2889 2865 CONECT 2890 2868 CONECT 2891 2869 CONECT 2892 2870 CONECT 2893 2871 CONECT 2894 2872 END