USER MOD reduce.3.24.130724 H: found=0, std=0, add=1394, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1386 hydrogens (20 hets) HEADER APOPTOSIS 08-FEB-05 1YSG TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN TITLE 2 COMPLEX WITH "SAR BY NMR" LIGANDS 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 1YSG 1 VERSN REVDAT 2 18-DEC-07 1YSG 1 REMARK REVDAT 1 07-JUN-05 1YSG 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 1YSG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB031878. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM BCL-XL U-15N,13C; 50 MM REMARK 210 SODIUM PHOSPHATE, 5 MM REMARK 210 DEUTERATED DITHIOTHREITOL, REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 13C-EDITED_12C-FILTERED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 55.65 34.56 REMARK 500 GLN A 7 32.34 -166.00 REMARK 500 SER A 27 -158.70 66.67 REMARK 500 TRP A 28 -45.06 -147.78 REMARK 500 PHE A 31 -73.94 -55.58 REMARK 500 ASP A 33 -88.09 60.40 REMARK 500 VAL A 34 141.68 60.73 REMARK 500 ASN A 37 -78.74 -57.00 REMARK 500 ARG A 38 -78.48 173.78 REMARK 500 THR A 39 70.78 65.85 REMARK 500 GLU A 43 -88.25 59.69 REMARK 500 THR A 45 -35.08 177.15 REMARK 500 GLU A 46 46.56 32.11 REMARK 500 LEU A 103 -39.91 -175.42 REMARK 500 PHE A 109 33.60 -96.87 REMARK 500 ALA A 123 -77.44 -175.29 REMARK 500 GLN A 125 -73.13 -60.56 REMARK 500 PHE A 135 59.95 -102.16 REMARK 500 ARG A 136 -60.72 -133.36 REMARK 500 LYS A 161 -76.46 -74.06 REMARK 500 GLU A 162 37.55 -178.12 REMARK 500 ASP A 180 12.73 -140.33 REMARK 500 LEU A 182 -36.82 -176.70 REMARK 500 TYR A 199 -44.92 -134.62 REMARK 500 ALA A 203 -38.08 -178.94 REMARK 500 ALA A 204 -81.40 -74.68 REMARK 500 ARG A 208 30.73 -146.88 REMARK 500 LYS A 209 82.85 -66.47 REMARK 500 GLU A 212 55.86 -118.83 REMARK 500 LEU A 214 -98.37 -56.07 REMARK 500 GLU A 215 23.12 48.18 REMARK 500 HIS A 217 23.74 48.76 REMARK 500 HIS A 218 51.84 171.06 REMARK 500 HIS A 219 12.13 -141.55 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 0.26 SIDE_CHAIN REMARK 500 ARG A 104 0.29 SIDE_CHAIN REMARK 500 ARG A 106 0.26 SIDE_CHAIN REMARK 500 ARG A 107 0.24 SIDE_CHAIN REMARK 500 ARG A 136 0.25 SIDE_CHAIN REMARK 500 ARG A 143 0.32 SIDE_CHAIN REMARK 500 ARG A 169 0.31 SIDE_CHAIN REMARK 500 ARG A 208 0.29 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 4FC A 1000 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TN1 A 1001 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 TO BAK PEPTIDE REMARK 900 RELATED ID: 1G5J RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF SAME PROTEIN COMPLEXED TO BAD PEPTIDE REMARK 900 RELATED ID: 1YSI RELATED DB: PDB REMARK 900 RELATED ID: 1YSX RELATED DB: PDB REMARK 900 RELATED ID: 1YSN RELATED DB: PDB REMARK 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 1YSG A 5 48 UNP Q07817 BCLX_HUMAN 1 44 DBREF 1YSG A 89 213 UNP Q07817 BCLX_HUMAN 85 209 SEQADV 1YSG MET A 1 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG SER A 2 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG MET A 3 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG ALA A 4 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG LEU A 214 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG GLU A 215 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG HIS A 216 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG HIS A 217 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG HIS A 218 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG HIS A 219 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG HIS A 220 UNP Q07817 CLONING ARTIFACT SEQADV 1YSG HIS A 181 UNP Q07817 CLONING ARTIFACT SEQRES 1 A 181 MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL SEQRES 2 A 181 VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SEQRES 3 A 181 SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 181 GLU ALA PRO GLU GLY THR GLU SER GLU ALA VAL LYS GLN SEQRES 5 A 181 ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR SEQRES 6 A 181 ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE SEQRES 7 A 181 THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL SEQRES 8 A 181 ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 181 VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SEQRES 10 A 181 SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE SEQRES 11 A 181 ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU SEQRES 12 A 181 PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL SEQRES 13 A 181 GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG LYS SEQRES 14 A 181 GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS HET 4FC A1000 24 HET TN1 A1001 23 HETNAM 4FC 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID HETNAM TN1 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL FORMUL 2 4FC C13 H9 F O2 FORMUL 3 TN1 C10 H12 O 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 ALA A 123 PHE A 135 1 13 HELIX 4 4 ASN A 140 GLU A 162 1 23 HELIX 5 5 LEU A 166 ASP A 180 1 15 HELIX 6 6 LEU A 182 GLY A 190 1 9 HELIX 7 7 GLY A 191 TYR A 199 1 9 HELIX 8 8 LEU A 214 HIS A 218 5 5 SITE *** AC1 8 PHE A 101 TYR A 105 ALA A 108 PHE A 109 SITE *** AC1 8 LEU A 134 GLY A 142 ARG A 143 ALA A 146 SITE *** AC2 5 ALA A 97 GLU A 100 PHE A 101 VAL A 145 SITE *** AC2 5 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 NoAdj-H: A1000 4FC HO1 : A1000 4FC O1 : A1000 4FC C13 :(short bond) USER MOD Set 1.1: A 199 TYR OH : rot -113:sc= 1.14 USER MOD Set 1.2: A1001 TN1 O11 : rot -83:sc= 2.44 USER MOD Set 2.1: A 122 THR OG1 : rot 150:sc= -0.0586 USER MOD Set 2.2: A 126 SER OG : rot 180:sc= 0.00969 USER MOD Set 3.1: A 1 MET CE :methyl -153:sc= -0.333 (180deg=-1.8!) USER MOD Set 3.2: A 1 MET N :NH3+ -156:sc= -0.142 (180deg=-0.789) USER MOD Set 3.3: A 3 MET CE :methyl 168:sc= -0.0177 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -147:sc= -1.54 (180deg=-4.18!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.247 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 X(o=0,f=-0.15) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -140:sc= -1.36 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 -156:sc= 1.17 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= -0.147 X(o=-0.15,f=-0.00036) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.88) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 45 THR OG1 : rot 40:sc= 1.21 USER MOD Single : A 47 SER OG : rot -58:sc= 1.21 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.6!) 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= -0.0981 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.51) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=0.0048) USER MOD Single : A 140 ASN : amide:sc= -0.043 X(o=-0.043,f=0.33) USER MOD Single : A 149 SER OG : rot 39:sc= 0.248 USER MOD Single : A 155 CYS SG : rot 70:sc= -0.449 USER MOD Single : A 158 SER OG : rot 180:sc= -0.238 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 -175:sc= -3.71! (180deg=-3.79!) USER MOD Single : A 176 THR OG1 : rot 74:sc= 0.056 USER MOD Single : A 177 TYR OH : rot 180:sc= -0.934 USER MOD Single : A 179 ASN : amide:sc= -0.0207 K(o=-0.021,f=-2.3!) USER MOD Single : A 181 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.0033) USER MOD Single : A 187 GLN : amide:sc= -0.27 K(o=-0.27,f=-2!) USER MOD Single : A 189 ASN : amide:sc= -2.88 K(o=-2.9,f=-5.9!) USER MOD Single : A 194 THR OG1 : rot 94:sc= 1.19 USER MOD Single : A 201 ASN : amide:sc= -0.906! C(o=-0.91!,f=-1!) USER MOD Single : A 202 ASN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.223) USER MOD Single : A 211 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 216 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.29) USER MOD Single : A 217 HIS : no HD1:sc= -0.767 X(o=-0.77,f=-1.2) USER MOD Single : A 218 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 219 HIS : no HE2:sc= -5.23 K(o=-5.2,f=-2.9) USER MOD Single : A 220 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.4) USER MOD Single : A 221 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.760 18.587 20.223 1.00 7.55 N ATOM 2 CA MET A 1 3.604 17.477 19.697 1.00 7.13 C ATOM 3 C MET A 1 3.303 17.265 18.212 1.00 6.10 C ATOM 4 O MET A 1 2.733 18.115 17.556 1.00 5.98 O ATOM 5 CB MET A 1 3.294 16.192 20.467 1.00 7.95 C ATOM 6 CG MET A 1 3.276 16.485 21.968 1.00 8.25 C ATOM 7 SD MET A 1 3.084 14.935 22.883 1.00 9.00 S ATOM 8 CE MET A 1 1.546 14.397 22.095 1.00 9.67 C ATOM 0 H1 MET A 1 3.216 19.003 21.060 1.00 7.55 H new ATOM 0 H2 MET A 1 2.650 19.317 19.490 1.00 7.55 H new ATOM 0 H3 MET A 1 1.824 18.217 20.486 1.00 7.55 H new ATOM 0 HA MET A 1 4.656 17.732 19.822 1.00 7.13 H new ATOM 0 HB2 MET A 1 2.330 15.791 20.153 1.00 7.95 H new ATOM 0 HB3 MET A 1 4.043 15.432 20.243 1.00 7.95 H new ATOM 0 HG2 MET A 1 4.200 16.982 22.263 1.00 8.25 H new ATOM 0 HG3 MET A 1 2.458 17.165 22.207 1.00 8.25 H new ATOM 0 HE1 MET A 1 0.991 13.757 22.780 1.00 9.67 H new ATOM 0 HE2 MET A 1 0.942 15.269 21.843 1.00 9.67 H new ATOM 0 HE3 MET A 1 1.778 13.841 21.186 1.00 9.67 H new ATOM 20 N SER A 2 3.681 16.137 17.679 1.00 5.58 N ATOM 21 CA SER A 2 3.418 15.866 16.237 1.00 4.71 C ATOM 22 C SER A 2 2.282 14.847 16.099 1.00 3.90 C ATOM 23 O SER A 2 1.586 14.838 15.104 1.00 4.20 O ATOM 24 CB SER A 2 4.683 15.307 15.586 1.00 4.94 C ATOM 25 OG SER A 2 4.536 15.339 14.172 1.00 5.25 O ATOM 0 H SER A 2 4.161 15.390 18.180 1.00 5.58 H new ATOM 0 HA SER A 2 3.131 16.794 15.743 1.00 4.71 H new ATOM 0 HB2 SER A 2 5.551 15.894 15.887 1.00 4.94 H new ATOM 0 HB3 SER A 2 4.858 14.285 15.922 1.00 4.94 H new ATOM 0 HG SER A 2 5.346 14.983 13.751 1.00 5.25 H new ATOM 31 N MET A 3 2.107 13.999 17.098 1.00 3.37 N ATOM 32 CA MET A 3 1.029 12.948 17.085 1.00 3.17 C ATOM 33 C MET A 3 0.792 12.412 15.670 1.00 2.80 C ATOM 34 O MET A 3 -0.311 12.439 15.161 1.00 3.27 O ATOM 35 CB MET A 3 -0.284 13.513 17.655 1.00 4.05 C ATOM 36 CG MET A 3 -0.496 14.960 17.202 1.00 4.57 C ATOM 37 SD MET A 3 0.652 16.047 18.084 1.00 5.35 S ATOM 38 CE MET A 3 -0.454 16.484 19.449 1.00 6.15 C ATOM 0 H MET A 3 2.682 13.994 17.941 1.00 3.37 H new ATOM 0 HA MET A 3 1.366 12.123 17.713 1.00 3.17 H new ATOM 0 HB2 MET A 3 -1.122 12.898 17.327 1.00 4.05 H new ATOM 0 HB3 MET A 3 -0.262 13.468 18.744 1.00 4.05 H new ATOM 0 HG2 MET A 3 -0.337 15.042 16.127 1.00 4.57 H new ATOM 0 HG3 MET A 3 -1.524 15.266 17.396 1.00 4.57 H new ATOM 0 HE1 MET A 3 0.115 16.982 20.233 1.00 6.15 H new ATOM 0 HE2 MET A 3 -1.234 17.153 19.085 1.00 6.15 H new ATOM 0 HE3 MET A 3 -0.911 15.580 19.851 1.00 6.15 H new ATOM 48 N ALA A 4 1.821 11.925 15.033 1.00 2.45 N ATOM 49 CA ALA A 4 1.656 11.388 13.653 1.00 2.43 C ATOM 50 C ALA A 4 0.817 10.110 13.702 1.00 1.90 C ATOM 51 O ALA A 4 0.484 9.615 14.760 1.00 2.06 O ATOM 52 CB ALA A 4 3.032 11.074 13.061 1.00 2.90 C ATOM 0 H ALA A 4 2.768 11.876 15.408 1.00 2.45 H new ATOM 0 HA ALA A 4 1.154 12.129 13.031 1.00 2.43 H new ATOM 0 HB1 ALA A 4 2.913 10.681 12.051 1.00 2.90 H new ATOM 0 HB2 ALA A 4 3.630 11.985 13.028 1.00 2.90 H new ATOM 0 HB3 ALA A 4 3.535 10.332 13.682 1.00 2.90 H new ATOM 58 N MET A 5 0.473 9.572 12.564 1.00 1.85 N ATOM 59 CA MET A 5 -0.345 8.327 12.546 1.00 1.49 C ATOM 60 C MET A 5 -1.621 8.539 13.365 1.00 1.64 C ATOM 61 O MET A 5 -2.171 7.612 13.925 1.00 1.94 O ATOM 62 CB MET A 5 0.463 7.177 13.152 1.00 1.64 C ATOM 63 CG MET A 5 1.750 6.979 12.349 1.00 1.89 C ATOM 64 SD MET A 5 1.621 7.860 10.774 1.00 1.88 S ATOM 65 CE MET A 5 3.296 8.544 10.758 1.00 1.38 C ATOM 0 H MET A 5 0.723 9.941 11.646 1.00 1.85 H new ATOM 0 HA MET A 5 -0.611 8.084 11.517 1.00 1.49 H new ATOM 0 HB2 MET A 5 0.701 7.395 14.193 1.00 1.64 H new ATOM 0 HB3 MET A 5 -0.127 6.261 13.145 1.00 1.64 H new ATOM 0 HG2 MET A 5 2.605 7.348 12.915 1.00 1.89 H new ATOM 0 HG3 MET A 5 1.920 5.917 12.171 1.00 1.89 H new ATOM 0 HE1 MET A 5 3.287 9.518 10.269 1.00 1.38 H new ATOM 0 HE2 MET A 5 3.653 8.655 11.782 1.00 1.38 H new ATOM 0 HE3 MET A 5 3.959 7.871 10.213 1.00 1.38 H new ATOM 75 N SER A 6 -2.098 9.753 13.439 1.00 1.99 N ATOM 76 CA SER A 6 -3.337 10.019 14.222 1.00 2.33 C ATOM 77 C SER A 6 -4.560 9.638 13.384 1.00 1.93 C ATOM 78 O SER A 6 -5.568 9.200 13.902 1.00 2.06 O ATOM 79 CB SER A 6 -3.406 11.504 14.580 1.00 2.88 C ATOM 80 OG SER A 6 -3.537 11.641 15.989 1.00 3.16 O ATOM 0 H SER A 6 -1.683 10.570 12.991 1.00 1.99 H new ATOM 0 HA SER A 6 -3.324 9.426 15.137 1.00 2.33 H new ATOM 0 HB2 SER A 6 -2.507 12.015 14.235 1.00 2.88 H new ATOM 0 HB3 SER A 6 -4.252 11.972 14.077 1.00 2.88 H new ATOM 0 HG SER A 6 -3.580 12.592 16.223 1.00 3.16 H new ATOM 86 N GLN A 7 -4.478 9.800 12.092 1.00 1.66 N ATOM 87 CA GLN A 7 -5.634 9.446 11.221 1.00 1.42 C ATOM 88 C GLN A 7 -5.174 9.394 9.763 1.00 1.19 C ATOM 89 O GLN A 7 -5.920 9.701 8.855 1.00 1.49 O ATOM 90 CB GLN A 7 -6.731 10.501 11.373 1.00 1.80 C ATOM 91 CG GLN A 7 -8.064 9.810 11.664 1.00 2.54 C ATOM 92 CD GLN A 7 -9.174 10.858 11.758 1.00 2.67 C ATOM 93 OE1 GLN A 7 -10.237 10.686 11.194 1.00 3.05 O ATOM 94 NE2 GLN A 7 -8.973 11.944 12.453 1.00 2.91 N ATOM 0 H GLN A 7 -3.660 10.162 11.602 1.00 1.66 H new ATOM 0 HA GLN A 7 -6.026 8.472 11.514 1.00 1.42 H new ATOM 0 HB2 GLN A 7 -6.481 11.188 12.182 1.00 1.80 H new ATOM 0 HB3 GLN A 7 -6.808 11.095 10.462 1.00 1.80 H new ATOM 0 HG2 GLN A 7 -8.293 9.092 10.876 1.00 2.54 H new ATOM 0 HG3 GLN A 7 -7.999 9.250 12.597 1.00 2.54 H new ATOM 0 HE21 GLN A 7 -8.081 12.089 12.926 1.00 2.91 H new ATOM 0 HE22 GLN A 7 -9.708 12.648 12.523 1.00 2.91 H new ATOM 103 N SER A 8 -3.949 9.007 9.533 1.00 0.88 N ATOM 104 CA SER A 8 -3.440 8.935 8.135 1.00 1.00 C ATOM 105 C SER A 8 -3.466 7.481 7.660 1.00 0.90 C ATOM 106 O SER A 8 -2.643 7.061 6.870 1.00 1.50 O ATOM 107 CB SER A 8 -2.006 9.462 8.086 1.00 1.16 C ATOM 108 OG SER A 8 -1.786 10.328 9.192 1.00 1.76 O ATOM 0 H SER A 8 -3.279 8.738 10.253 1.00 0.88 H new ATOM 0 HA SER A 8 -4.071 9.542 7.486 1.00 1.00 H new ATOM 0 HB2 SER A 8 -1.300 8.632 8.113 1.00 1.16 H new ATOM 0 HB3 SER A 8 -1.834 9.996 7.151 1.00 1.16 H new ATOM 0 HG SER A 8 -0.867 10.666 9.165 1.00 1.76 H new ATOM 114 N ASN A 9 -4.404 6.709 8.136 1.00 0.60 N ATOM 115 CA ASN A 9 -4.483 5.283 7.712 1.00 0.61 C ATOM 116 C ASN A 9 -5.834 5.028 7.042 1.00 0.58 C ATOM 117 O ASN A 9 -5.905 4.527 5.937 1.00 0.62 O ATOM 118 CB ASN A 9 -4.342 4.378 8.938 1.00 0.66 C ATOM 119 CG ASN A 9 -3.145 4.834 9.774 1.00 1.31 C ATOM 120 OD1 ASN A 9 -2.018 4.782 9.322 1.00 1.70 O ATOM 121 ND2 ASN A 9 -3.342 5.281 10.984 1.00 1.96 N ATOM 0 H ASN A 9 -5.119 7.004 8.800 1.00 0.60 H new ATOM 0 HA ASN A 9 -3.680 5.066 7.007 1.00 0.61 H new ATOM 0 HB2 ASN A 9 -5.252 4.414 9.537 1.00 0.66 H new ATOM 0 HB3 ASN A 9 -4.207 3.343 8.625 1.00 0.66 H new ATOM 0 HD21 ASN A 9 -2.550 5.587 11.550 1.00 1.96 H new ATOM 0 HD22 ASN A 9 -4.288 5.325 11.364 1.00 1.96 H new ATOM 128 N ARG A 10 -6.908 5.370 7.701 1.00 0.55 N ATOM 129 CA ARG A 10 -8.252 5.148 7.098 1.00 0.54 C ATOM 130 C ARG A 10 -8.343 5.905 5.773 1.00 0.48 C ATOM 131 O ARG A 10 -8.823 5.390 4.783 1.00 0.54 O ATOM 132 CB ARG A 10 -9.332 5.661 8.054 1.00 0.55 C ATOM 133 CG ARG A 10 -10.619 4.861 7.847 1.00 0.71 C ATOM 134 CD ARG A 10 -11.635 5.715 7.085 1.00 0.67 C ATOM 135 NE ARG A 10 -12.157 6.784 7.982 1.00 1.14 N ATOM 136 CZ ARG A 10 -13.224 7.456 7.645 1.00 1.91 C ATOM 137 NH1 ARG A 10 -13.188 8.266 6.622 1.00 2.61 N ATOM 138 NH2 ARG A 10 -14.326 7.318 8.329 1.00 2.67 N ATOM 0 H ARG A 10 -6.912 5.793 8.629 1.00 0.55 H new ATOM 0 HA ARG A 10 -8.401 4.083 6.921 1.00 0.54 H new ATOM 0 HB2 ARG A 10 -8.994 5.566 9.086 1.00 0.55 H new ATOM 0 HB3 ARG A 10 -9.517 6.720 7.876 1.00 0.55 H new ATOM 0 HG2 ARG A 10 -10.406 3.948 7.291 1.00 0.71 H new ATOM 0 HG3 ARG A 10 -11.031 4.560 8.810 1.00 0.71 H new ATOM 0 HD2 ARG A 10 -11.167 6.159 6.207 1.00 0.67 H new ATOM 0 HD3 ARG A 10 -12.455 5.092 6.728 1.00 0.67 H new ATOM 0 HE ARG A 10 -11.680 6.991 8.860 1.00 1.14 H new ATOM 0 HH11 ARG A 10 -12.326 8.373 6.087 1.00 2.61 H new ATOM 0 HH12 ARG A 10 -14.021 8.791 6.358 1.00 2.61 H new ATOM 0 HH21 ARG A 10 -14.354 6.685 9.128 1.00 2.67 H new ATOM 0 HH22 ARG A 10 -15.159 7.844 8.065 1.00 2.67 H new ATOM 152 N GLU A 11 -7.883 7.126 5.747 1.00 0.42 N ATOM 153 CA GLU A 11 -7.940 7.917 4.485 1.00 0.37 C ATOM 154 C GLU A 11 -6.657 7.701 3.669 1.00 0.36 C ATOM 155 O GLU A 11 -6.407 8.397 2.704 1.00 0.36 O ATOM 156 CB GLU A 11 -8.084 9.402 4.828 1.00 0.39 C ATOM 157 CG GLU A 11 -8.644 10.157 3.622 1.00 0.42 C ATOM 158 CD GLU A 11 -8.449 11.661 3.826 1.00 0.58 C ATOM 159 OE1 GLU A 11 -7.428 12.036 4.377 1.00 1.34 O ATOM 160 OE2 GLU A 11 -9.324 12.411 3.426 1.00 0.96 O ATOM 0 H GLU A 11 -7.470 7.610 6.545 1.00 0.42 H new ATOM 0 HA GLU A 11 -8.795 7.589 3.893 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -8.746 9.525 5.685 1.00 0.39 H new ATOM 0 HB3 GLU A 11 -7.116 9.815 5.111 1.00 0.39 H new ATOM 0 HG2 GLU A 11 -8.140 9.834 2.711 1.00 0.42 H new ATOM 0 HG3 GLU A 11 -9.703 9.930 3.497 1.00 0.42 H new ATOM 167 N LEU A 12 -5.844 6.744 4.030 1.00 0.38 N ATOM 168 CA LEU A 12 -4.601 6.505 3.249 1.00 0.38 C ATOM 169 C LEU A 12 -4.961 5.627 2.053 1.00 0.36 C ATOM 170 O LEU A 12 -4.511 5.843 0.943 1.00 0.36 O ATOM 171 CB LEU A 12 -3.572 5.787 4.125 1.00 0.43 C ATOM 172 CG LEU A 12 -2.161 6.162 3.668 1.00 0.61 C ATOM 173 CD1 LEU A 12 -1.141 5.639 4.680 1.00 0.90 C ATOM 174 CD2 LEU A 12 -1.886 5.538 2.298 1.00 1.43 C ATOM 0 H LEU A 12 -5.987 6.123 4.826 1.00 0.38 H new ATOM 0 HA LEU A 12 -4.174 7.450 2.913 1.00 0.38 H new ATOM 0 HB2 LEU A 12 -3.713 6.063 5.170 1.00 0.43 H new ATOM 0 HB3 LEU A 12 -3.712 4.708 4.059 1.00 0.43 H new ATOM 0 HG LEU A 12 -2.079 7.247 3.597 1.00 0.61 H new ATOM 0 HD11 LEU A 12 -0.136 5.906 4.354 1.00 0.90 H new ATOM 0 HD12 LEU A 12 -1.336 6.083 5.656 1.00 0.90 H new ATOM 0 HD13 LEU A 12 -1.223 4.554 4.752 1.00 0.90 H new ATOM 0 HD21 LEU A 12 -0.881 5.805 1.972 1.00 1.43 H new ATOM 0 HD22 LEU A 12 -1.969 4.453 2.369 1.00 1.43 H new ATOM 0 HD23 LEU A 12 -2.613 5.911 1.576 1.00 1.43 H new ATOM 186 N VAL A 13 -5.783 4.639 2.279 1.00 0.36 N ATOM 187 CA VAL A 13 -6.194 3.738 1.172 1.00 0.36 C ATOM 188 C VAL A 13 -7.195 4.471 0.276 1.00 0.33 C ATOM 189 O VAL A 13 -7.275 4.223 -0.911 1.00 0.35 O ATOM 190 CB VAL A 13 -6.846 2.483 1.757 1.00 0.37 C ATOM 191 CG1 VAL A 13 -8.360 2.684 1.849 1.00 0.99 C ATOM 192 CG2 VAL A 13 -6.544 1.285 0.854 1.00 1.12 C ATOM 0 H VAL A 13 -6.188 4.418 3.189 1.00 0.36 H new ATOM 0 HA VAL A 13 -5.323 3.450 0.584 1.00 0.36 H new ATOM 0 HB VAL A 13 -6.446 2.299 2.754 1.00 0.37 H new ATOM 0 HG11 VAL A 13 -8.821 1.789 2.266 1.00 0.99 H new ATOM 0 HG12 VAL A 13 -8.575 3.537 2.493 1.00 0.99 H new ATOM 0 HG13 VAL A 13 -8.763 2.870 0.854 1.00 0.99 H new ATOM 0 HG21 VAL A 13 -7.008 0.390 1.269 1.00 1.12 H new ATOM 0 HG22 VAL A 13 -6.943 1.471 -0.143 1.00 1.12 H new ATOM 0 HG23 VAL A 13 -5.466 1.139 0.792 1.00 1.12 H new ATOM 202 N VAL A 14 -7.960 5.376 0.832 1.00 0.31 N ATOM 203 CA VAL A 14 -8.947 6.118 0.000 1.00 0.30 C ATOM 204 C VAL A 14 -8.213 7.163 -0.838 1.00 0.30 C ATOM 205 O VAL A 14 -8.573 7.432 -1.967 1.00 0.31 O ATOM 206 CB VAL A 14 -9.980 6.809 0.889 1.00 0.28 C ATOM 207 CG1 VAL A 14 -9.368 8.044 1.532 1.00 0.28 C ATOM 208 CG2 VAL A 14 -11.167 7.241 0.035 1.00 0.27 C ATOM 0 H VAL A 14 -7.942 5.630 1.820 1.00 0.31 H new ATOM 0 HA VAL A 14 -9.463 5.414 -0.653 1.00 0.30 H new ATOM 0 HB VAL A 14 -10.304 6.115 1.665 1.00 0.28 H new ATOM 0 HG11 VAL A 14 -10.111 8.531 2.164 1.00 0.28 H new ATOM 0 HG12 VAL A 14 -8.511 7.752 2.139 1.00 0.28 H new ATOM 0 HG13 VAL A 14 -9.043 8.736 0.755 1.00 0.28 H new ATOM 0 HG21 VAL A 14 -11.907 7.735 0.664 1.00 0.27 H new ATOM 0 HG22 VAL A 14 -10.828 7.932 -0.737 1.00 0.27 H new ATOM 0 HG23 VAL A 14 -11.616 6.365 -0.434 1.00 0.27 H new ATOM 218 N ASP A 15 -7.181 7.753 -0.298 1.00 0.32 N ATOM 219 CA ASP A 15 -6.428 8.775 -1.072 1.00 0.34 C ATOM 220 C ASP A 15 -5.807 8.106 -2.297 1.00 0.37 C ATOM 221 O ASP A 15 -5.994 8.541 -3.417 1.00 0.40 O ATOM 222 CB ASP A 15 -5.323 9.374 -0.197 1.00 0.34 C ATOM 223 CG ASP A 15 -5.044 10.810 -0.641 1.00 0.68 C ATOM 224 OD1 ASP A 15 -5.349 11.128 -1.779 1.00 1.32 O ATOM 225 OD2 ASP A 15 -4.529 11.569 0.164 1.00 1.22 O ATOM 0 H ASP A 15 -6.830 7.571 0.642 1.00 0.32 H new ATOM 0 HA ASP A 15 -7.102 9.571 -1.387 1.00 0.34 H new ATOM 0 HB2 ASP A 15 -5.625 9.358 0.850 1.00 0.34 H new ATOM 0 HB3 ASP A 15 -4.416 8.775 -0.277 1.00 0.34 H new ATOM 230 N PHE A 16 -5.073 7.044 -2.096 1.00 0.38 N ATOM 231 CA PHE A 16 -4.449 6.347 -3.255 1.00 0.42 C ATOM 232 C PHE A 16 -5.553 5.731 -4.115 1.00 0.44 C ATOM 233 O PHE A 16 -5.468 5.698 -5.327 1.00 0.47 O ATOM 234 CB PHE A 16 -3.517 5.243 -2.748 1.00 0.44 C ATOM 235 CG PHE A 16 -2.802 4.610 -3.917 1.00 0.46 C ATOM 236 CD1 PHE A 16 -1.958 5.383 -4.723 1.00 1.41 C ATOM 237 CD2 PHE A 16 -2.983 3.250 -4.195 1.00 1.17 C ATOM 238 CE1 PHE A 16 -1.294 4.796 -5.807 1.00 1.44 C ATOM 239 CE2 PHE A 16 -2.320 2.663 -5.279 1.00 1.18 C ATOM 240 CZ PHE A 16 -1.475 3.436 -6.085 1.00 0.59 C ATOM 0 H PHE A 16 -4.880 6.632 -1.183 1.00 0.38 H new ATOM 0 HA PHE A 16 -3.872 7.058 -3.847 1.00 0.42 H new ATOM 0 HB2 PHE A 16 -2.793 5.658 -2.047 1.00 0.44 H new ATOM 0 HB3 PHE A 16 -4.089 4.489 -2.207 1.00 0.44 H new ATOM 0 HD1 PHE A 16 -1.819 6.432 -4.509 1.00 1.41 H new ATOM 0 HD2 PHE A 16 -3.634 2.654 -3.573 1.00 1.17 H new ATOM 0 HE1 PHE A 16 -0.642 5.392 -6.428 1.00 1.44 H new ATOM 0 HE2 PHE A 16 -2.460 1.614 -5.494 1.00 1.18 H new ATOM 0 HZ PHE A 16 -0.963 2.983 -6.921 1.00 0.59 H new ATOM 250 N LEU A 17 -6.592 5.244 -3.493 1.00 0.44 N ATOM 251 CA LEU A 17 -7.708 4.632 -4.266 1.00 0.47 C ATOM 252 C LEU A 17 -8.247 5.650 -5.271 1.00 0.49 C ATOM 253 O LEU A 17 -8.265 5.413 -6.461 1.00 0.61 O ATOM 254 CB LEU A 17 -8.832 4.234 -3.309 1.00 0.42 C ATOM 255 CG LEU A 17 -8.656 2.778 -2.875 1.00 0.43 C ATOM 256 CD1 LEU A 17 -9.403 2.544 -1.559 1.00 0.40 C ATOM 257 CD2 LEU A 17 -9.225 1.853 -3.954 1.00 0.52 C ATOM 0 H LEU A 17 -6.716 5.244 -2.481 1.00 0.44 H new ATOM 0 HA LEU A 17 -7.343 3.750 -4.792 1.00 0.47 H new ATOM 0 HB2 LEU A 17 -8.826 4.886 -2.436 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -9.799 4.363 -3.796 1.00 0.42 H new ATOM 0 HG LEU A 17 -7.596 2.566 -2.735 1.00 0.43 H new ATOM 0 HD11 LEU A 17 -9.278 1.506 -1.249 1.00 0.40 H new ATOM 0 HD12 LEU A 17 -9.001 3.203 -0.790 1.00 0.40 H new ATOM 0 HD13 LEU A 17 -10.463 2.755 -1.700 1.00 0.40 H new ATOM 0 HD21 LEU A 17 -9.100 0.815 -3.646 1.00 0.52 H new ATOM 0 HD22 LEU A 17 -10.285 2.065 -4.093 1.00 0.52 H new ATOM 0 HD23 LEU A 17 -8.695 2.019 -4.892 1.00 0.52 H new ATOM 269 N SER A 18 -8.690 6.783 -4.797 1.00 0.47 N ATOM 270 CA SER A 18 -9.233 7.820 -5.718 1.00 0.51 C ATOM 271 C SER A 18 -8.206 8.134 -6.807 1.00 0.54 C ATOM 272 O SER A 18 -8.551 8.361 -7.949 1.00 0.57 O ATOM 273 CB SER A 18 -9.542 9.091 -4.928 1.00 0.52 C ATOM 274 OG SER A 18 -10.296 9.979 -5.743 1.00 1.37 O ATOM 0 H SER A 18 -8.699 7.035 -3.809 1.00 0.47 H new ATOM 0 HA SER A 18 -10.146 7.447 -6.182 1.00 0.51 H new ATOM 0 HB2 SER A 18 -10.101 8.845 -4.025 1.00 0.52 H new ATOM 0 HB3 SER A 18 -8.616 9.569 -4.609 1.00 0.52 H new ATOM 0 HG SER A 18 -10.497 10.795 -5.239 1.00 1.37 H new ATOM 280 N TYR A 19 -6.948 8.152 -6.468 1.00 0.56 N ATOM 281 CA TYR A 19 -5.910 8.455 -7.492 1.00 0.62 C ATOM 282 C TYR A 19 -5.985 7.420 -8.617 1.00 0.64 C ATOM 283 O TYR A 19 -5.726 7.719 -9.766 1.00 0.71 O ATOM 284 CB TYR A 19 -4.523 8.408 -6.848 1.00 0.68 C ATOM 285 CG TYR A 19 -3.475 8.677 -7.900 1.00 1.31 C ATOM 286 CD1 TYR A 19 -3.317 9.969 -8.415 1.00 2.17 C ATOM 287 CD2 TYR A 19 -2.663 7.635 -8.363 1.00 1.94 C ATOM 288 CE1 TYR A 19 -2.347 10.219 -9.393 1.00 2.80 C ATOM 289 CE2 TYR A 19 -1.693 7.885 -9.340 1.00 2.55 C ATOM 290 CZ TYR A 19 -1.535 9.177 -9.856 1.00 2.76 C ATOM 291 OH TYR A 19 -0.578 9.423 -10.819 1.00 3.49 O ATOM 0 H TYR A 19 -6.594 7.971 -5.529 1.00 0.56 H new ATOM 0 HA TYR A 19 -6.086 9.450 -7.900 1.00 0.62 H new ATOM 0 HB2 TYR A 19 -4.454 9.149 -6.052 1.00 0.68 H new ATOM 0 HB3 TYR A 19 -4.354 7.433 -6.391 1.00 0.68 H new ATOM 0 HD1 TYR A 19 -3.943 10.773 -8.058 1.00 2.17 H new ATOM 0 HD2 TYR A 19 -2.785 6.638 -7.966 1.00 1.94 H new ATOM 0 HE1 TYR A 19 -2.225 11.216 -9.790 1.00 2.80 H new ATOM 0 HE2 TYR A 19 -1.066 7.081 -9.696 1.00 2.55 H new ATOM 0 HH TYR A 19 -0.557 8.679 -11.457 1.00 3.49 H new ATOM 301 N LYS A 20 -6.335 6.204 -8.296 1.00 0.61 N ATOM 302 CA LYS A 20 -6.424 5.151 -9.347 1.00 0.66 C ATOM 303 C LYS A 20 -7.832 5.139 -9.950 1.00 0.62 C ATOM 304 O LYS A 20 -8.018 4.822 -11.108 1.00 0.66 O ATOM 305 CB LYS A 20 -6.128 3.785 -8.723 1.00 0.72 C ATOM 306 CG LYS A 20 -5.112 3.037 -9.588 1.00 1.06 C ATOM 307 CD LYS A 20 -3.700 3.303 -9.062 1.00 1.30 C ATOM 308 CE LYS A 20 -2.738 2.256 -9.628 1.00 1.74 C ATOM 309 NZ LYS A 20 -1.914 2.870 -10.707 1.00 2.05 N ATOM 0 H LYS A 20 -6.563 5.894 -7.351 1.00 0.61 H new ATOM 0 HA LYS A 20 -5.697 5.362 -10.131 1.00 0.66 H new ATOM 0 HB2 LYS A 20 -5.738 3.912 -7.713 1.00 0.72 H new ATOM 0 HB3 LYS A 20 -7.047 3.205 -8.639 1.00 0.72 H new ATOM 0 HG2 LYS A 20 -5.322 1.968 -9.572 1.00 1.06 H new ATOM 0 HG3 LYS A 20 -5.192 3.362 -10.625 1.00 1.06 H new ATOM 0 HD2 LYS A 20 -3.376 4.303 -9.350 1.00 1.30 H new ATOM 0 HD3 LYS A 20 -3.694 3.267 -7.973 1.00 1.30 H new ATOM 0 HE2 LYS A 20 -2.093 1.873 -8.837 1.00 1.74 H new ATOM 0 HE3 LYS A 20 -3.298 1.407 -10.021 1.00 1.74 H new ATOM 0 HZ1 LYS A 20 -1.260 2.159 -11.092 1.00 2.05 H new ATOM 0 HZ2 LYS A 20 -2.536 3.215 -11.466 1.00 2.05 H new ATOM 0 HZ3 LYS A 20 -1.370 3.666 -10.318 1.00 2.05 H new ATOM 323 N LEU A 21 -8.824 5.480 -9.174 1.00 0.56 N ATOM 324 CA LEU A 21 -10.218 5.485 -9.702 1.00 0.53 C ATOM 325 C LEU A 21 -10.398 6.657 -10.669 1.00 0.56 C ATOM 326 O LEU A 21 -10.922 6.502 -11.754 1.00 0.60 O ATOM 327 CB LEU A 21 -11.202 5.627 -8.539 1.00 0.43 C ATOM 328 CG LEU A 21 -11.102 4.398 -7.633 1.00 0.45 C ATOM 329 CD1 LEU A 21 -11.688 4.727 -6.259 1.00 0.44 C ATOM 330 CD2 LEU A 21 -11.885 3.242 -8.256 1.00 0.53 C ATOM 0 H LEU A 21 -8.730 5.756 -8.196 1.00 0.56 H new ATOM 0 HA LEU A 21 -10.409 4.550 -10.229 1.00 0.53 H new ATOM 0 HB2 LEU A 21 -10.981 6.530 -7.970 1.00 0.43 H new ATOM 0 HB3 LEU A 21 -12.218 5.730 -8.919 1.00 0.43 H new ATOM 0 HG LEU A 21 -10.056 4.112 -7.523 1.00 0.45 H new ATOM 0 HD11 LEU A 21 -11.617 3.851 -5.614 1.00 0.44 H new ATOM 0 HD12 LEU A 21 -11.131 5.552 -5.814 1.00 0.44 H new ATOM 0 HD13 LEU A 21 -12.734 5.013 -6.369 1.00 0.44 H new ATOM 0 HD21 LEU A 21 -11.815 2.366 -7.612 1.00 0.53 H new ATOM 0 HD22 LEU A 21 -12.931 3.528 -8.366 1.00 0.53 H new ATOM 0 HD23 LEU A 21 -11.468 3.006 -9.235 1.00 0.53 H new ATOM 342 N SER A 22 -9.967 7.829 -10.286 1.00 0.60 N ATOM 343 CA SER A 22 -10.113 9.009 -11.185 1.00 0.69 C ATOM 344 C SER A 22 -9.490 8.695 -12.548 1.00 0.76 C ATOM 345 O SER A 22 -9.885 9.238 -13.561 1.00 0.83 O ATOM 346 CB SER A 22 -9.402 10.213 -10.565 1.00 0.78 C ATOM 347 OG SER A 22 -9.585 11.348 -11.402 1.00 1.39 O ATOM 0 H SER A 22 -9.520 8.020 -9.389 1.00 0.60 H new ATOM 0 HA SER A 22 -11.171 9.238 -11.314 1.00 0.69 H new ATOM 0 HB2 SER A 22 -9.800 10.412 -9.570 1.00 0.78 H new ATOM 0 HB3 SER A 22 -8.339 10.001 -10.447 1.00 0.78 H new ATOM 0 HG SER A 22 -9.132 12.122 -11.007 1.00 1.39 H new ATOM 353 N GLN A 23 -8.521 7.820 -12.583 1.00 0.81 N ATOM 354 CA GLN A 23 -7.878 7.472 -13.881 1.00 0.93 C ATOM 355 C GLN A 23 -8.889 6.739 -14.765 1.00 0.77 C ATOM 356 O GLN A 23 -8.847 6.824 -15.976 1.00 0.78 O ATOM 357 CB GLN A 23 -6.673 6.564 -13.624 1.00 1.14 C ATOM 358 CG GLN A 23 -5.391 7.282 -14.049 1.00 1.22 C ATOM 359 CD GLN A 23 -4.396 6.263 -14.608 1.00 1.49 C ATOM 360 OE1 GLN A 23 -4.440 5.931 -15.776 1.00 2.07 O ATOM 361 NE2 GLN A 23 -3.493 5.749 -13.818 1.00 1.96 N ATOM 0 H GLN A 23 -8.148 7.332 -11.769 1.00 0.81 H new ATOM 0 HA GLN A 23 -7.547 8.382 -14.382 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -6.622 6.301 -12.567 1.00 1.14 H new ATOM 0 HB3 GLN A 23 -6.782 5.632 -14.179 1.00 1.14 H new ATOM 0 HG2 GLN A 23 -5.617 8.036 -14.803 1.00 1.22 H new ATOM 0 HG3 GLN A 23 -4.954 7.803 -13.197 1.00 1.22 H new ATOM 0 HE21 GLN A 23 -3.455 6.027 -12.837 1.00 1.96 H new ATOM 0 HE22 GLN A 23 -2.825 5.069 -14.181 1.00 1.96 H new ATOM 370 N LYS A 24 -9.798 6.018 -14.167 1.00 0.66 N ATOM 371 CA LYS A 24 -10.813 5.279 -14.969 1.00 0.59 C ATOM 372 C LYS A 24 -12.057 6.151 -15.152 1.00 0.46 C ATOM 373 O LYS A 24 -12.772 6.031 -16.127 1.00 0.48 O ATOM 374 CB LYS A 24 -11.201 3.993 -14.236 1.00 0.68 C ATOM 375 CG LYS A 24 -10.130 2.927 -14.471 1.00 0.86 C ATOM 376 CD LYS A 24 -10.671 1.859 -15.423 1.00 0.85 C ATOM 377 CE LYS A 24 -9.785 0.614 -15.351 1.00 1.25 C ATOM 378 NZ LYS A 24 -8.836 0.612 -16.501 1.00 1.39 N ATOM 0 H LYS A 24 -9.881 5.909 -13.156 1.00 0.66 H new ATOM 0 HA LYS A 24 -10.394 5.034 -15.945 1.00 0.59 H new ATOM 0 HB2 LYS A 24 -11.307 4.188 -13.169 1.00 0.68 H new ATOM 0 HB3 LYS A 24 -12.168 3.637 -14.592 1.00 0.68 H new ATOM 0 HG2 LYS A 24 -9.234 3.384 -14.892 1.00 0.86 H new ATOM 0 HG3 LYS A 24 -9.841 2.472 -13.524 1.00 0.86 H new ATOM 0 HD2 LYS A 24 -11.697 1.604 -15.156 1.00 0.85 H new ATOM 0 HD3 LYS A 24 -10.694 2.244 -16.443 1.00 0.85 H new ATOM 0 HE2 LYS A 24 -9.234 0.601 -14.411 1.00 1.25 H new ATOM 0 HE3 LYS A 24 -10.401 -0.285 -15.372 1.00 1.25 H new ATOM 0 HZ1 LYS A 24 -8.233 -0.234 -16.452 1.00 1.39 H new ATOM 0 HZ2 LYS A 24 -9.371 0.605 -17.393 1.00 1.39 H new ATOM 0 HZ3 LYS A 24 -8.240 1.464 -16.461 1.00 1.39 H new ATOM 392 N GLY A 25 -12.322 7.027 -14.222 1.00 0.43 N ATOM 393 CA GLY A 25 -13.521 7.903 -14.343 1.00 0.42 C ATOM 394 C GLY A 25 -14.617 7.384 -13.412 1.00 0.38 C ATOM 395 O GLY A 25 -15.790 7.449 -13.719 1.00 0.58 O ATOM 0 H GLY A 25 -11.760 7.174 -13.384 1.00 0.43 H new ATOM 0 HA2 GLY A 25 -13.264 8.930 -14.085 1.00 0.42 H new ATOM 0 HA3 GLY A 25 -13.877 7.913 -15.373 1.00 0.42 H new ATOM 399 N TYR A 26 -14.240 6.866 -12.275 1.00 0.35 N ATOM 400 CA TYR A 26 -15.255 6.340 -11.321 1.00 0.32 C ATOM 401 C TYR A 26 -15.383 7.287 -10.124 1.00 0.31 C ATOM 402 O TYR A 26 -16.409 7.341 -9.476 1.00 0.34 O ATOM 403 CB TYR A 26 -14.823 4.955 -10.834 1.00 0.37 C ATOM 404 CG TYR A 26 -15.477 3.897 -11.690 1.00 0.45 C ATOM 405 CD1 TYR A 26 -16.812 3.540 -11.461 1.00 0.51 C ATOM 406 CD2 TYR A 26 -14.753 3.277 -12.715 1.00 0.61 C ATOM 407 CE1 TYR A 26 -17.421 2.562 -12.256 1.00 0.62 C ATOM 408 CE2 TYR A 26 -15.362 2.298 -13.510 1.00 0.74 C ATOM 409 CZ TYR A 26 -16.697 1.941 -13.280 1.00 0.71 C ATOM 410 OH TYR A 26 -17.298 0.978 -14.064 1.00 0.85 O ATOM 0 H TYR A 26 -13.271 6.785 -11.966 1.00 0.35 H new ATOM 0 HA TYR A 26 -16.219 6.267 -11.824 1.00 0.32 H new ATOM 0 HB2 TYR A 26 -13.738 4.861 -10.886 1.00 0.37 H new ATOM 0 HB3 TYR A 26 -15.105 4.820 -9.790 1.00 0.37 H new ATOM 0 HD1 TYR A 26 -17.371 4.019 -10.671 1.00 0.51 H new ATOM 0 HD2 TYR A 26 -13.724 3.554 -12.893 1.00 0.61 H new ATOM 0 HE1 TYR A 26 -18.450 2.287 -12.079 1.00 0.62 H new ATOM 0 HE2 TYR A 26 -14.803 1.819 -14.300 1.00 0.74 H new ATOM 0 HH TYR A 26 -16.612 0.392 -14.446 1.00 0.85 H new ATOM 420 N SER A 27 -14.351 8.034 -9.824 1.00 0.33 N ATOM 421 CA SER A 27 -14.422 8.974 -8.669 1.00 0.37 C ATOM 422 C SER A 27 -14.527 8.174 -7.366 1.00 0.38 C ATOM 423 O SER A 27 -14.165 7.016 -7.310 1.00 0.62 O ATOM 424 CB SER A 27 -15.645 9.881 -8.824 1.00 0.39 C ATOM 425 OG SER A 27 -15.249 11.235 -8.652 1.00 0.77 O ATOM 0 H SER A 27 -13.465 8.032 -10.329 1.00 0.33 H new ATOM 0 HA SER A 27 -13.522 9.588 -8.641 1.00 0.37 H new ATOM 0 HB2 SER A 27 -16.092 9.743 -9.808 1.00 0.39 H new ATOM 0 HB3 SER A 27 -16.405 9.616 -8.089 1.00 0.39 H new ATOM 0 HG SER A 27 -16.029 11.819 -8.752 1.00 0.77 H new ATOM 431 N TRP A 28 -15.016 8.780 -6.316 1.00 0.34 N ATOM 432 CA TRP A 28 -15.137 8.049 -5.021 1.00 0.31 C ATOM 433 C TRP A 28 -16.357 8.569 -4.255 1.00 0.33 C ATOM 434 O TRP A 28 -17.135 7.807 -3.719 1.00 0.36 O ATOM 435 CB TRP A 28 -13.864 8.280 -4.199 1.00 0.30 C ATOM 436 CG TRP A 28 -13.980 7.631 -2.852 1.00 0.27 C ATOM 437 CD1 TRP A 28 -14.724 8.093 -1.819 1.00 0.27 C ATOM 438 CD2 TRP A 28 -13.325 6.422 -2.371 1.00 0.28 C ATOM 439 NE1 TRP A 28 -14.570 7.241 -0.739 1.00 0.27 N ATOM 440 CE2 TRP A 28 -13.719 6.196 -1.031 1.00 0.27 C ATOM 441 CE3 TRP A 28 -12.439 5.507 -2.962 1.00 0.31 C ATOM 442 CZ2 TRP A 28 -13.246 5.102 -0.304 1.00 0.30 C ATOM 443 CZ3 TRP A 28 -11.962 4.407 -2.232 1.00 0.33 C ATOM 444 CH2 TRP A 28 -12.364 4.206 -0.907 1.00 0.32 C ATOM 0 H TRP A 28 -15.336 9.748 -6.299 1.00 0.34 H new ATOM 0 HA TRP A 28 -15.262 6.982 -5.204 1.00 0.31 H new ATOM 0 HB2 TRP A 28 -13.003 7.875 -4.731 1.00 0.30 H new ATOM 0 HB3 TRP A 28 -13.691 9.350 -4.080 1.00 0.30 H new ATOM 0 HD1 TRP A 28 -15.338 8.982 -1.835 1.00 0.27 H new ATOM 0 HE1 TRP A 28 -15.030 7.370 0.162 1.00 0.27 H new ATOM 0 HE3 TRP A 28 -12.123 5.650 -3.985 1.00 0.31 H new ATOM 0 HZ2 TRP A 28 -13.561 4.951 0.718 1.00 0.30 H new ATOM 0 HZ3 TRP A 28 -11.280 3.711 -2.697 1.00 0.33 H new ATOM 0 HH2 TRP A 28 -11.992 3.358 -0.352 1.00 0.32 H new ATOM 455 N SER A 29 -16.529 9.862 -4.198 1.00 0.40 N ATOM 456 CA SER A 29 -17.697 10.429 -3.465 1.00 0.44 C ATOM 457 C SER A 29 -18.992 9.803 -3.989 1.00 0.44 C ATOM 458 O SER A 29 -19.956 9.653 -3.266 1.00 0.48 O ATOM 459 CB SER A 29 -17.745 11.942 -3.677 1.00 0.52 C ATOM 460 OG SER A 29 -18.124 12.574 -2.461 1.00 1.37 O ATOM 0 H SER A 29 -15.911 10.550 -4.628 1.00 0.40 H new ATOM 0 HA SER A 29 -17.594 10.210 -2.402 1.00 0.44 H new ATOM 0 HB2 SER A 29 -16.770 12.307 -4.002 1.00 0.52 H new ATOM 0 HB3 SER A 29 -18.456 12.188 -4.465 1.00 0.52 H new ATOM 0 HG SER A 29 -18.154 13.545 -2.592 1.00 1.37 H new ATOM 466 N GLN A 30 -19.023 9.437 -5.241 1.00 0.43 N ATOM 467 CA GLN A 30 -20.258 8.822 -5.807 1.00 0.45 C ATOM 468 C GLN A 30 -20.331 7.331 -5.446 1.00 0.37 C ATOM 469 O GLN A 30 -21.348 6.694 -5.637 1.00 0.78 O ATOM 470 CB GLN A 30 -20.246 8.972 -7.330 1.00 0.63 C ATOM 471 CG GLN A 30 -21.446 8.233 -7.926 1.00 1.10 C ATOM 472 CD GLN A 30 -21.718 8.754 -9.339 1.00 1.30 C ATOM 473 OE1 GLN A 30 -21.733 7.994 -10.287 1.00 1.06 O ATOM 474 NE2 GLN A 30 -21.936 10.027 -9.520 1.00 2.33 N ATOM 0 H GLN A 30 -18.248 9.537 -5.896 1.00 0.43 H new ATOM 0 HA GLN A 30 -21.127 9.329 -5.388 1.00 0.45 H new ATOM 0 HB2 GLN A 30 -20.283 10.027 -7.602 1.00 0.63 H new ATOM 0 HB3 GLN A 30 -19.319 8.570 -7.738 1.00 0.63 H new ATOM 0 HG2 GLN A 30 -21.249 7.161 -7.954 1.00 1.10 H new ATOM 0 HG3 GLN A 30 -22.325 8.379 -7.298 1.00 1.10 H new ATOM 0 HE21 GLN A 30 -21.923 10.665 -8.724 1.00 2.33 H new ATOM 0 HE22 GLN A 30 -22.119 10.385 -10.457 1.00 2.33 H new ATOM 483 N PHE A 31 -19.271 6.761 -4.931 1.00 0.42 N ATOM 484 CA PHE A 31 -19.309 5.314 -4.574 1.00 0.34 C ATOM 485 C PHE A 31 -20.475 5.054 -3.617 1.00 0.53 C ATOM 486 O PHE A 31 -21.484 4.492 -3.994 1.00 1.36 O ATOM 487 CB PHE A 31 -17.994 4.918 -3.898 1.00 0.32 C ATOM 488 CG PHE A 31 -16.907 4.707 -4.936 1.00 0.31 C ATOM 489 CD1 PHE A 31 -17.043 5.211 -6.242 1.00 1.20 C ATOM 490 CD2 PHE A 31 -15.749 4.002 -4.582 1.00 1.25 C ATOM 491 CE1 PHE A 31 -16.026 5.006 -7.180 1.00 1.21 C ATOM 492 CE2 PHE A 31 -14.733 3.800 -5.523 1.00 1.27 C ATOM 493 CZ PHE A 31 -14.872 4.301 -6.822 1.00 0.40 C ATOM 0 H PHE A 31 -18.387 7.233 -4.744 1.00 0.42 H new ATOM 0 HA PHE A 31 -19.443 4.721 -5.479 1.00 0.34 H new ATOM 0 HB2 PHE A 31 -17.690 5.695 -3.197 1.00 0.32 H new ATOM 0 HB3 PHE A 31 -18.136 4.005 -3.320 1.00 0.32 H new ATOM 0 HD1 PHE A 31 -17.933 5.756 -6.521 1.00 1.20 H new ATOM 0 HD2 PHE A 31 -15.640 3.613 -3.580 1.00 1.25 H new ATOM 0 HE1 PHE A 31 -16.132 5.393 -8.183 1.00 1.21 H new ATOM 0 HE2 PHE A 31 -13.841 3.257 -5.246 1.00 1.27 H new ATOM 0 HZ PHE A 31 -14.088 4.143 -7.548 1.00 0.40 H new ATOM 503 N SER A 32 -20.348 5.457 -2.382 1.00 0.91 N ATOM 504 CA SER A 32 -21.454 5.228 -1.410 1.00 1.02 C ATOM 505 C SER A 32 -22.238 6.528 -1.203 1.00 1.32 C ATOM 506 O SER A 32 -22.826 6.745 -0.164 1.00 1.50 O ATOM 507 CB SER A 32 -20.872 4.766 -0.074 1.00 1.56 C ATOM 508 OG SER A 32 -20.551 3.384 -0.155 1.00 2.15 O ATOM 0 H SER A 32 -19.529 5.934 -2.005 1.00 0.91 H new ATOM 0 HA SER A 32 -22.123 4.462 -1.801 1.00 1.02 H new ATOM 0 HB2 SER A 32 -19.980 5.345 0.167 1.00 1.56 H new ATOM 0 HB3 SER A 32 -21.590 4.938 0.728 1.00 1.56 H new ATOM 0 HG SER A 32 -20.176 3.085 0.699 1.00 2.15 H new ATOM 514 N ASP A 33 -22.251 7.389 -2.188 1.00 2.13 N ATOM 515 CA ASP A 33 -22.995 8.676 -2.059 1.00 2.82 C ATOM 516 C ASP A 33 -22.436 9.496 -0.895 1.00 2.92 C ATOM 517 O ASP A 33 -21.558 10.310 -1.071 1.00 3.47 O ATOM 518 CB ASP A 33 -24.492 8.390 -1.867 1.00 3.87 C ATOM 519 CG ASP A 33 -25.225 9.690 -1.532 1.00 4.60 C ATOM 520 OD1 ASP A 33 -24.871 10.711 -2.100 1.00 5.31 O ATOM 521 OD2 ASP A 33 -26.129 9.644 -0.714 1.00 4.71 O ATOM 0 H ASP A 33 -21.775 7.254 -3.080 1.00 2.13 H new ATOM 0 HA ASP A 33 -22.869 9.260 -2.970 1.00 2.82 H new ATOM 0 HB2 ASP A 33 -24.907 7.950 -2.774 1.00 3.87 H new ATOM 0 HB3 ASP A 33 -24.634 7.664 -1.066 1.00 3.87 H new ATOM 526 N VAL A 34 -22.946 9.278 0.278 1.00 2.87 N ATOM 527 CA VAL A 34 -22.496 10.012 1.501 1.00 3.44 C ATOM 528 C VAL A 34 -22.731 11.507 1.350 1.00 3.86 C ATOM 529 O VAL A 34 -22.554 12.091 0.299 1.00 4.05 O ATOM 530 CB VAL A 34 -21.015 9.762 1.831 1.00 3.49 C ATOM 531 CG1 VAL A 34 -20.487 8.534 1.088 1.00 4.07 C ATOM 532 CG2 VAL A 34 -20.175 10.993 1.463 1.00 3.17 C ATOM 0 H VAL A 34 -23.685 8.597 0.452 1.00 2.87 H new ATOM 0 HA VAL A 34 -23.093 9.624 2.327 1.00 3.44 H new ATOM 0 HB VAL A 34 -20.935 9.578 2.902 1.00 3.49 H new ATOM 0 HG11 VAL A 34 -19.438 8.380 1.339 1.00 4.07 H new ATOM 0 HG12 VAL A 34 -21.063 7.656 1.381 1.00 4.07 H new ATOM 0 HG13 VAL A 34 -20.584 8.689 0.013 1.00 4.07 H new ATOM 0 HG21 VAL A 34 -19.128 10.804 1.701 1.00 3.17 H new ATOM 0 HG22 VAL A 34 -20.274 11.195 0.396 1.00 3.17 H new ATOM 0 HG23 VAL A 34 -20.526 11.856 2.030 1.00 3.17 H new ATOM 542 N GLU A 35 -23.129 12.122 2.417 1.00 4.30 N ATOM 543 CA GLU A 35 -23.387 13.586 2.394 1.00 4.82 C ATOM 544 C GLU A 35 -22.143 14.302 1.866 1.00 5.12 C ATOM 545 O GLU A 35 -21.044 14.080 2.333 1.00 5.59 O ATOM 546 CB GLU A 35 -23.691 14.068 3.815 1.00 5.61 C ATOM 547 CG GLU A 35 -25.019 14.826 3.828 1.00 5.97 C ATOM 548 CD GLU A 35 -25.003 15.860 4.955 1.00 6.69 C ATOM 549 OE1 GLU A 35 -24.501 16.948 4.727 1.00 6.99 O ATOM 550 OE2 GLU A 35 -25.492 15.546 6.028 1.00 7.16 O ATOM 0 H GLU A 35 -23.290 11.671 3.318 1.00 4.30 H new ATOM 0 HA GLU A 35 -24.238 13.804 1.748 1.00 4.82 H new ATOM 0 HB2 GLU A 35 -23.740 13.218 4.495 1.00 5.61 H new ATOM 0 HB3 GLU A 35 -22.888 14.715 4.170 1.00 5.61 H new ATOM 0 HG2 GLU A 35 -25.178 15.319 2.869 1.00 5.97 H new ATOM 0 HG3 GLU A 35 -25.846 14.130 3.970 1.00 5.97 H new ATOM 557 N GLU A 36 -22.303 15.155 0.894 1.00 5.24 N ATOM 558 CA GLU A 36 -21.122 15.876 0.340 1.00 5.88 C ATOM 559 C GLU A 36 -21.021 17.267 0.971 1.00 6.03 C ATOM 560 O GLU A 36 -21.690 18.196 0.564 1.00 6.12 O ATOM 561 CB GLU A 36 -21.264 16.007 -1.179 1.00 6.37 C ATOM 562 CG GLU A 36 -22.627 16.613 -1.523 1.00 6.20 C ATOM 563 CD GLU A 36 -23.490 15.562 -2.225 1.00 7.07 C ATOM 564 OE1 GLU A 36 -23.622 14.476 -1.686 1.00 7.78 O ATOM 565 OE2 GLU A 36 -24.005 15.862 -3.289 1.00 7.24 O ATOM 0 H GLU A 36 -23.197 15.384 0.460 1.00 5.24 H new ATOM 0 HA GLU A 36 -20.218 15.312 0.570 1.00 5.88 H new ATOM 0 HB2 GLU A 36 -20.466 16.635 -1.575 1.00 6.37 H new ATOM 0 HB3 GLU A 36 -21.162 15.029 -1.649 1.00 6.37 H new ATOM 0 HG2 GLU A 36 -23.122 16.959 -0.616 1.00 6.20 H new ATOM 0 HG3 GLU A 36 -22.498 17.483 -2.167 1.00 6.20 H new ATOM 572 N ASN A 37 -20.186 17.414 1.963 1.00 6.37 N ATOM 573 CA ASN A 37 -20.035 18.742 2.622 1.00 6.74 C ATOM 574 C ASN A 37 -19.641 19.782 1.572 1.00 6.27 C ATOM 575 O ASN A 37 -20.462 20.549 1.110 1.00 5.99 O ATOM 576 CB ASN A 37 -18.948 18.654 3.696 1.00 7.09 C ATOM 577 CG ASN A 37 -18.578 20.060 4.169 1.00 8.21 C ATOM 578 OD1 ASN A 37 -17.571 20.605 3.762 1.00 8.68 O ATOM 579 ND2 ASN A 37 -19.352 20.674 5.022 1.00 8.85 N ATOM 0 H ASN A 37 -19.601 16.671 2.346 1.00 6.37 H new ATOM 0 HA ASN A 37 -20.977 19.034 3.086 1.00 6.74 H new ATOM 0 HB2 ASN A 37 -19.302 18.058 4.537 1.00 7.09 H new ATOM 0 HB3 ASN A 37 -18.068 18.151 3.296 1.00 7.09 H new ATOM 0 HD21 ASN A 37 -19.111 21.611 5.346 1.00 8.85 H new ATOM 0 HD22 ASN A 37 -20.197 20.217 5.364 1.00 8.85 H new ATOM 586 N ARG A 38 -18.392 19.813 1.190 1.00 6.42 N ATOM 587 CA ARG A 38 -17.947 20.803 0.167 1.00 6.16 C ATOM 588 C ARG A 38 -16.426 20.732 0.016 1.00 5.92 C ATOM 589 O ARG A 38 -15.912 20.149 -0.918 1.00 6.05 O ATOM 590 CB ARG A 38 -18.350 22.212 0.606 1.00 6.53 C ATOM 591 CG ARG A 38 -19.498 22.710 -0.274 1.00 7.20 C ATOM 592 CD ARG A 38 -20.540 23.415 0.596 1.00 7.75 C ATOM 593 NE ARG A 38 -21.788 23.620 -0.193 1.00 8.67 N ATOM 594 CZ ARG A 38 -21.718 23.854 -1.475 1.00 9.46 C ATOM 595 NH1 ARG A 38 -21.689 22.860 -2.319 1.00 10.05 N ATOM 596 NH2 ARG A 38 -21.678 25.083 -1.913 1.00 9.86 N ATOM 0 H ARG A 38 -17.661 19.195 1.542 1.00 6.42 H new ATOM 0 HA ARG A 38 -18.419 20.573 -0.788 1.00 6.16 H new ATOM 0 HB2 ARG A 38 -18.656 22.205 1.652 1.00 6.53 H new ATOM 0 HB3 ARG A 38 -17.498 22.887 0.527 1.00 6.53 H new ATOM 0 HG2 ARG A 38 -19.118 23.395 -1.032 1.00 7.20 H new ATOM 0 HG3 ARG A 38 -19.955 21.873 -0.801 1.00 7.20 H new ATOM 0 HD2 ARG A 38 -20.752 22.819 1.484 1.00 7.75 H new ATOM 0 HD3 ARG A 38 -20.153 24.374 0.941 1.00 7.75 H new ATOM 0 HE ARG A 38 -22.696 23.577 0.269 1.00 8.67 H new ATOM 0 HH11 ARG A 38 -21.721 21.900 -1.977 1.00 10.05 H new ATOM 0 HH12 ARG A 38 -21.634 23.043 -3.321 1.00 10.05 H new ATOM 0 HH21 ARG A 38 -21.701 25.861 -1.253 1.00 9.86 H new ATOM 0 HH22 ARG A 38 -21.623 25.266 -2.915 1.00 9.86 H new ATOM 610 N THR A 39 -15.702 21.323 0.928 1.00 5.80 N ATOM 611 CA THR A 39 -14.214 21.291 0.839 1.00 5.75 C ATOM 612 C THR A 39 -13.754 22.074 -0.393 1.00 5.51 C ATOM 613 O THR A 39 -13.287 21.507 -1.361 1.00 5.39 O ATOM 614 CB THR A 39 -13.739 19.840 0.728 1.00 6.12 C ATOM 615 OG1 THR A 39 -14.606 19.002 1.480 1.00 6.75 O ATOM 616 CG2 THR A 39 -12.315 19.725 1.273 1.00 6.53 C ATOM 0 H THR A 39 -16.077 21.827 1.731 1.00 5.80 H new ATOM 0 HA THR A 39 -13.790 21.745 1.735 1.00 5.75 H new ATOM 0 HB THR A 39 -13.751 19.531 -0.317 1.00 6.12 H new ATOM 0 HG1 THR A 39 -14.305 18.072 1.409 1.00 6.75 H new ATOM 0 HG21 THR A 39 -11.977 18.692 1.194 1.00 6.53 H new ATOM 0 HG22 THR A 39 -11.651 20.369 0.696 1.00 6.53 H new ATOM 0 HG23 THR A 39 -12.300 20.032 2.319 1.00 6.53 H new ATOM 624 N GLU A 40 -13.880 23.372 -0.364 1.00 5.82 N ATOM 625 CA GLU A 40 -13.447 24.190 -1.533 1.00 6.05 C ATOM 626 C GLU A 40 -11.957 24.510 -1.397 1.00 6.22 C ATOM 627 O GLU A 40 -11.143 24.069 -2.183 1.00 6.63 O ATOM 628 CB GLU A 40 -14.250 25.492 -1.571 1.00 6.48 C ATOM 629 CG GLU A 40 -15.714 25.197 -1.241 1.00 7.16 C ATOM 630 CD GLU A 40 -16.022 25.673 0.180 1.00 7.53 C ATOM 631 OE1 GLU A 40 -15.898 26.862 0.425 1.00 7.64 O ATOM 632 OE2 GLU A 40 -16.375 24.841 0.999 1.00 7.96 O ATOM 0 H GLU A 40 -14.264 23.902 0.418 1.00 5.82 H new ATOM 0 HA GLU A 40 -13.619 23.634 -2.455 1.00 6.05 H new ATOM 0 HB2 GLU A 40 -13.841 26.205 -0.855 1.00 6.48 H new ATOM 0 HB3 GLU A 40 -14.173 25.951 -2.557 1.00 6.48 H new ATOM 0 HG2 GLU A 40 -16.367 25.700 -1.954 1.00 7.16 H new ATOM 0 HG3 GLU A 40 -15.909 24.128 -1.328 1.00 7.16 H new ATOM 639 N ALA A 41 -11.594 25.271 -0.401 1.00 6.09 N ATOM 640 CA ALA A 41 -10.158 25.616 -0.210 1.00 6.38 C ATOM 641 C ALA A 41 -9.850 25.696 1.288 1.00 5.96 C ATOM 642 O ALA A 41 -9.478 26.739 1.789 1.00 5.70 O ATOM 643 CB ALA A 41 -9.865 26.967 -0.867 1.00 6.96 C ATOM 0 H ALA A 41 -12.231 25.669 0.289 1.00 6.09 H new ATOM 0 HA ALA A 41 -9.534 24.849 -0.669 1.00 6.38 H new ATOM 0 HB1 ALA A 41 -8.814 27.219 -0.727 1.00 6.96 H new ATOM 0 HB2 ALA A 41 -10.085 26.909 -1.933 1.00 6.96 H new ATOM 0 HB3 ALA A 41 -10.487 27.737 -0.410 1.00 6.96 H new ATOM 649 N PRO A 42 -10.018 24.585 1.956 1.00 6.25 N ATOM 650 CA PRO A 42 -9.775 24.469 3.400 1.00 6.27 C ATOM 651 C PRO A 42 -8.269 24.446 3.710 1.00 6.15 C ATOM 652 O PRO A 42 -7.875 24.482 4.857 1.00 6.46 O ATOM 653 CB PRO A 42 -10.411 23.148 3.816 1.00 7.01 C ATOM 654 CG PRO A 42 -10.368 22.320 2.509 1.00 7.44 C ATOM 655 CD PRO A 42 -10.472 23.322 1.333 1.00 6.98 C ATOM 0 HA PRO A 42 -10.195 25.319 3.938 1.00 6.27 H new ATOM 0 HB2 PRO A 42 -9.853 22.666 4.619 1.00 7.01 H new ATOM 0 HB3 PRO A 42 -11.431 23.285 4.174 1.00 7.01 H new ATOM 0 HG2 PRO A 42 -9.443 21.747 2.446 1.00 7.44 H new ATOM 0 HG3 PRO A 42 -11.189 21.604 2.479 1.00 7.44 H new ATOM 0 HD2 PRO A 42 -9.840 23.032 0.494 1.00 6.98 H new ATOM 0 HD3 PRO A 42 -11.491 23.399 0.953 1.00 6.98 H new ATOM 663 N GLU A 43 -7.428 24.383 2.705 1.00 5.96 N ATOM 664 CA GLU A 43 -5.954 24.355 2.953 1.00 6.05 C ATOM 665 C GLU A 43 -5.597 23.131 3.809 1.00 5.56 C ATOM 666 O GLU A 43 -5.290 22.076 3.290 1.00 5.76 O ATOM 667 CB GLU A 43 -5.517 25.644 3.658 1.00 6.81 C ATOM 668 CG GLU A 43 -4.079 25.488 4.158 1.00 7.14 C ATOM 669 CD GLU A 43 -3.412 26.863 4.244 1.00 7.76 C ATOM 670 OE1 GLU A 43 -4.047 27.834 3.867 1.00 8.42 O ATOM 671 OE2 GLU A 43 -2.277 26.921 4.687 1.00 7.80 O ATOM 0 H GLU A 43 -7.701 24.350 1.723 1.00 5.96 H new ATOM 0 HA GLU A 43 -5.430 24.285 2.000 1.00 6.05 H new ATOM 0 HB2 GLU A 43 -5.585 26.488 2.972 1.00 6.81 H new ATOM 0 HB3 GLU A 43 -6.183 25.858 4.494 1.00 6.81 H new ATOM 0 HG2 GLU A 43 -4.074 25.009 5.137 1.00 7.14 H new ATOM 0 HG3 GLU A 43 -3.517 24.842 3.484 1.00 7.14 H new ATOM 678 N GLY A 44 -5.635 23.250 5.112 1.00 5.16 N ATOM 679 CA GLY A 44 -5.298 22.082 5.974 1.00 4.99 C ATOM 680 C GLY A 44 -3.782 21.980 6.147 1.00 4.68 C ATOM 681 O GLY A 44 -3.235 22.392 7.149 1.00 4.87 O ATOM 0 H GLY A 44 -5.884 24.103 5.613 1.00 5.16 H new ATOM 0 HA2 GLY A 44 -5.777 22.188 6.947 1.00 4.99 H new ATOM 0 HA3 GLY A 44 -5.684 21.166 5.527 1.00 4.99 H new ATOM 685 N THR A 45 -3.101 21.433 5.176 1.00 4.58 N ATOM 686 CA THR A 45 -1.617 21.299 5.278 1.00 4.55 C ATOM 687 C THR A 45 -1.087 20.562 4.038 1.00 4.36 C ATOM 688 O THR A 45 -0.013 20.864 3.560 1.00 4.58 O ATOM 689 CB THR A 45 -1.264 20.525 6.560 1.00 5.10 C ATOM 690 OG1 THR A 45 -1.001 21.448 7.607 1.00 5.58 O ATOM 691 CG2 THR A 45 -0.025 19.655 6.341 1.00 5.84 C ATOM 0 H THR A 45 -3.509 21.072 4.314 1.00 4.58 H new ATOM 0 HA THR A 45 -1.154 22.285 5.324 1.00 4.55 H new ATOM 0 HB THR A 45 -2.105 19.883 6.823 1.00 5.10 H new ATOM 0 HG1 THR A 45 -1.643 22.187 7.560 1.00 5.58 H new ATOM 0 HG21 THR A 45 0.208 19.116 7.259 1.00 5.84 H new ATOM 0 HG22 THR A 45 -0.219 18.941 5.540 1.00 5.84 H new ATOM 0 HG23 THR A 45 0.820 20.287 6.067 1.00 5.84 H new ATOM 699 N GLU A 46 -1.851 19.610 3.527 1.00 4.31 N ATOM 700 CA GLU A 46 -1.453 18.814 2.306 1.00 4.44 C ATOM 701 C GLU A 46 0.064 18.628 2.220 1.00 4.42 C ATOM 702 O GLU A 46 0.669 18.816 1.184 1.00 5.18 O ATOM 703 CB GLU A 46 -1.962 19.488 1.017 1.00 4.92 C ATOM 704 CG GLU A 46 -1.944 21.019 1.130 1.00 5.24 C ATOM 705 CD GLU A 46 -0.514 21.538 0.962 1.00 6.14 C ATOM 706 OE1 GLU A 46 0.193 21.006 0.122 1.00 6.59 O ATOM 707 OE2 GLU A 46 -0.153 22.463 1.671 1.00 6.62 O ATOM 0 H GLU A 46 -2.756 19.346 3.916 1.00 4.31 H new ATOM 0 HA GLU A 46 -1.916 17.832 2.404 1.00 4.44 H new ATOM 0 HB2 GLU A 46 -1.342 19.178 0.176 1.00 4.92 H new ATOM 0 HB3 GLU A 46 -2.977 19.151 0.807 1.00 4.92 H new ATOM 0 HG2 GLU A 46 -2.590 21.456 0.369 1.00 5.24 H new ATOM 0 HG3 GLU A 46 -2.340 21.325 2.098 1.00 5.24 H new ATOM 714 N SER A 47 0.676 18.258 3.304 1.00 3.80 N ATOM 715 CA SER A 47 2.151 18.054 3.302 1.00 3.95 C ATOM 716 C SER A 47 2.458 16.561 3.437 1.00 3.16 C ATOM 717 O SER A 47 3.468 16.173 3.989 1.00 3.27 O ATOM 718 CB SER A 47 2.767 18.809 4.480 1.00 4.73 C ATOM 719 OG SER A 47 4.157 18.521 4.547 1.00 5.64 O ATOM 0 H SER A 47 0.218 18.086 4.199 1.00 3.80 H new ATOM 0 HA SER A 47 2.571 18.428 2.368 1.00 3.95 H new ATOM 0 HB2 SER A 47 2.611 19.881 4.361 1.00 4.73 H new ATOM 0 HB3 SER A 47 2.278 18.517 5.410 1.00 4.73 H new ATOM 0 HG SER A 47 4.287 17.553 4.633 1.00 5.64 H new ATOM 725 N GLU A 48 1.594 15.720 2.938 1.00 2.90 N ATOM 726 CA GLU A 48 1.838 14.253 3.039 1.00 2.47 C ATOM 727 C GLU A 48 2.718 13.802 1.871 1.00 1.56 C ATOM 728 O GLU A 48 2.576 14.270 0.758 1.00 1.56 O ATOM 729 CB GLU A 48 0.502 13.508 2.993 1.00 2.95 C ATOM 730 CG GLU A 48 0.021 13.236 4.420 1.00 3.70 C ATOM 731 CD GLU A 48 -1.012 12.108 4.406 1.00 4.45 C ATOM 732 OE1 GLU A 48 -1.263 11.574 3.338 1.00 4.77 O ATOM 733 OE2 GLU A 48 -1.534 11.797 5.464 1.00 4.99 O ATOM 0 H GLU A 48 0.730 15.985 2.465 1.00 2.90 H new ATOM 0 HA GLU A 48 2.342 14.032 3.980 1.00 2.47 H new ATOM 0 HB2 GLU A 48 -0.238 14.100 2.455 1.00 2.95 H new ATOM 0 HB3 GLU A 48 0.615 12.569 2.451 1.00 2.95 H new ATOM 0 HG2 GLU A 48 0.865 12.962 5.053 1.00 3.70 H new ATOM 0 HG3 GLU A 48 -0.417 14.139 4.845 1.00 3.70 H new ATOM 740 N ALA A 89 3.628 12.899 2.115 1.00 1.19 N ATOM 741 CA ALA A 89 4.517 12.422 1.018 1.00 0.57 C ATOM 742 C ALA A 89 4.226 10.950 0.712 1.00 0.48 C ATOM 743 O ALA A 89 4.444 10.485 -0.389 1.00 0.44 O ATOM 744 CB ALA A 89 5.977 12.573 1.449 1.00 1.03 C ATOM 0 H ALA A 89 3.794 12.471 3.026 1.00 1.19 H new ATOM 0 HA ALA A 89 4.333 13.016 0.123 1.00 0.57 H new ATOM 0 HB1 ALA A 89 6.630 12.225 0.649 1.00 1.03 H new ATOM 0 HB2 ALA A 89 6.188 13.622 1.659 1.00 1.03 H new ATOM 0 HB3 ALA A 89 6.155 11.980 2.346 1.00 1.03 H new ATOM 750 N VAL A 90 3.737 10.212 1.674 1.00 0.49 N ATOM 751 CA VAL A 90 3.437 8.772 1.428 1.00 0.44 C ATOM 752 C VAL A 90 2.514 8.642 0.215 1.00 0.49 C ATOM 753 O VAL A 90 2.629 7.722 -0.568 1.00 0.48 O ATOM 754 CB VAL A 90 2.747 8.174 2.655 1.00 0.47 C ATOM 755 CG1 VAL A 90 2.346 6.729 2.362 1.00 0.50 C ATOM 756 CG2 VAL A 90 3.708 8.196 3.841 1.00 0.39 C ATOM 0 H VAL A 90 3.533 10.544 2.617 1.00 0.49 H new ATOM 0 HA VAL A 90 4.368 8.238 1.238 1.00 0.44 H new ATOM 0 HB VAL A 90 1.859 8.760 2.891 1.00 0.47 H new ATOM 0 HG11 VAL A 90 1.854 6.303 3.237 1.00 0.50 H new ATOM 0 HG12 VAL A 90 1.662 6.706 1.514 1.00 0.50 H new ATOM 0 HG13 VAL A 90 3.236 6.145 2.126 1.00 0.50 H new ATOM 0 HG21 VAL A 90 3.216 7.770 4.716 1.00 0.39 H new ATOM 0 HG22 VAL A 90 4.595 7.609 3.602 1.00 0.39 H new ATOM 0 HG23 VAL A 90 4.000 9.224 4.054 1.00 0.39 H new ATOM 766 N LYS A 91 1.599 9.558 0.054 1.00 0.58 N ATOM 767 CA LYS A 91 0.670 9.486 -1.108 1.00 0.64 C ATOM 768 C LYS A 91 1.471 9.594 -2.408 1.00 0.56 C ATOM 769 O LYS A 91 1.344 8.775 -3.297 1.00 0.54 O ATOM 770 CB LYS A 91 -0.333 10.638 -1.029 1.00 0.79 C ATOM 771 CG LYS A 91 -1.652 10.212 -1.675 1.00 0.92 C ATOM 772 CD LYS A 91 -2.306 11.422 -2.345 1.00 1.26 C ATOM 773 CE LYS A 91 -1.445 11.881 -3.523 1.00 2.26 C ATOM 774 NZ LYS A 91 -2.295 12.606 -4.508 1.00 3.18 N ATOM 0 H LYS A 91 1.455 10.353 0.677 1.00 0.58 H new ATOM 0 HA LYS A 91 0.135 8.536 -1.089 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -0.499 10.919 0.011 1.00 0.79 H new ATOM 0 HB3 LYS A 91 0.066 11.517 -1.536 1.00 0.79 H new ATOM 0 HG2 LYS A 91 -1.472 9.428 -2.411 1.00 0.92 H new ATOM 0 HG3 LYS A 91 -2.320 9.795 -0.922 1.00 0.92 H new ATOM 0 HD2 LYS A 91 -3.306 11.162 -2.691 1.00 1.26 H new ATOM 0 HD3 LYS A 91 -2.418 12.233 -1.625 1.00 1.26 H new ATOM 0 HE2 LYS A 91 -0.644 12.531 -3.170 1.00 2.26 H new ATOM 0 HE3 LYS A 91 -0.972 11.021 -3.998 1.00 2.26 H new ATOM 0 HZ1 LYS A 91 -1.709 12.918 -5.309 1.00 3.18 H new ATOM 0 HZ2 LYS A 91 -3.044 11.972 -4.853 1.00 3.18 H new ATOM 0 HZ3 LYS A 91 -2.726 13.435 -4.051 1.00 3.18 H new ATOM 788 N GLN A 92 2.294 10.600 -2.527 1.00 0.56 N ATOM 789 CA GLN A 92 3.101 10.760 -3.770 1.00 0.56 C ATOM 790 C GLN A 92 3.995 9.533 -3.960 1.00 0.52 C ATOM 791 O GLN A 92 4.023 8.931 -5.015 1.00 0.59 O ATOM 792 CB GLN A 92 3.972 12.014 -3.657 1.00 0.63 C ATOM 793 CG GLN A 92 3.116 13.191 -3.185 1.00 1.25 C ATOM 794 CD GLN A 92 3.377 14.404 -4.080 1.00 1.86 C ATOM 795 OE1 GLN A 92 2.560 14.746 -4.913 1.00 2.10 O ATOM 796 NE2 GLN A 92 4.489 15.073 -3.944 1.00 2.67 N ATOM 0 H GLN A 92 2.442 11.318 -1.818 1.00 0.56 H new ATOM 0 HA GLN A 92 2.433 10.859 -4.626 1.00 0.56 H new ATOM 0 HB2 GLN A 92 4.788 11.840 -2.956 1.00 0.63 H new ATOM 0 HB3 GLN A 92 4.424 12.244 -4.622 1.00 0.63 H new ATOM 0 HG2 GLN A 92 2.060 12.922 -3.217 1.00 1.25 H new ATOM 0 HG3 GLN A 92 3.352 13.433 -2.149 1.00 1.25 H new ATOM 0 HE21 GLN A 92 5.174 14.786 -3.245 1.00 2.67 H new ATOM 0 HE22 GLN A 92 4.673 15.883 -4.536 1.00 2.67 H new ATOM 805 N ALA A 93 4.727 9.157 -2.946 1.00 0.49 N ATOM 806 CA ALA A 93 5.618 7.969 -3.071 1.00 0.54 C ATOM 807 C ALA A 93 4.794 6.756 -3.503 1.00 0.51 C ATOM 808 O ALA A 93 5.135 6.065 -4.443 1.00 0.63 O ATOM 809 CB ALA A 93 6.279 7.682 -1.721 1.00 0.59 C ATOM 0 H ALA A 93 4.746 9.621 -2.038 1.00 0.49 H new ATOM 0 HA ALA A 93 6.387 8.170 -3.817 1.00 0.54 H new ATOM 0 HB1 ALA A 93 6.931 6.813 -1.812 1.00 0.59 H new ATOM 0 HB2 ALA A 93 6.868 8.546 -1.413 1.00 0.59 H new ATOM 0 HB3 ALA A 93 5.510 7.482 -0.975 1.00 0.59 H new ATOM 815 N LEU A 94 3.710 6.490 -2.825 1.00 0.43 N ATOM 816 CA LEU A 94 2.862 5.321 -3.196 1.00 0.45 C ATOM 817 C LEU A 94 2.490 5.411 -4.679 1.00 0.47 C ATOM 818 O LEU A 94 2.279 4.412 -5.337 1.00 0.51 O ATOM 819 CB LEU A 94 1.581 5.326 -2.355 1.00 0.48 C ATOM 820 CG LEU A 94 1.619 4.194 -1.322 1.00 0.55 C ATOM 821 CD1 LEU A 94 1.783 2.848 -2.030 1.00 0.51 C ATOM 822 CD2 LEU A 94 2.792 4.413 -0.364 1.00 0.72 C ATOM 0 H LEU A 94 3.375 7.033 -2.029 1.00 0.43 H new ATOM 0 HA LEU A 94 3.417 4.401 -3.010 1.00 0.45 H new ATOM 0 HB2 LEU A 94 1.473 6.286 -1.849 1.00 0.48 H new ATOM 0 HB3 LEU A 94 0.712 5.208 -3.002 1.00 0.48 H new ATOM 0 HG LEU A 94 0.685 4.192 -0.760 1.00 0.55 H new ATOM 0 HD11 LEU A 94 1.809 2.048 -1.290 1.00 0.51 H new ATOM 0 HD12 LEU A 94 0.944 2.688 -2.707 1.00 0.51 H new ATOM 0 HD13 LEU A 94 2.713 2.847 -2.598 1.00 0.51 H new ATOM 0 HD21 LEU A 94 2.818 3.607 0.370 1.00 0.72 H new ATOM 0 HD22 LEU A 94 3.725 4.421 -0.927 1.00 0.72 H new ATOM 0 HD23 LEU A 94 2.670 5.367 0.149 1.00 0.72 H new ATOM 834 N ARG A 95 2.408 6.601 -5.209 1.00 0.48 N ATOM 835 CA ARG A 95 2.048 6.754 -6.647 1.00 0.54 C ATOM 836 C ARG A 95 3.170 6.183 -7.518 1.00 0.56 C ATOM 837 O ARG A 95 2.990 5.206 -8.216 1.00 0.62 O ATOM 838 CB ARG A 95 1.857 8.238 -6.967 1.00 0.60 C ATOM 839 CG ARG A 95 1.063 8.382 -8.267 1.00 0.84 C ATOM 840 CD ARG A 95 1.982 8.908 -9.371 1.00 1.13 C ATOM 841 NE ARG A 95 1.699 10.352 -9.607 1.00 1.45 N ATOM 842 CZ ARG A 95 1.965 10.887 -10.767 1.00 1.73 C ATOM 843 NH1 ARG A 95 3.168 10.798 -11.266 1.00 2.14 N ATOM 844 NH2 ARG A 95 1.029 11.510 -11.429 1.00 2.21 N ATOM 0 H ARG A 95 2.575 7.474 -4.708 1.00 0.48 H new ATOM 0 HA ARG A 95 1.122 6.216 -6.851 1.00 0.54 H new ATOM 0 HB2 ARG A 95 1.331 8.732 -6.150 1.00 0.60 H new ATOM 0 HB3 ARG A 95 2.826 8.728 -7.064 1.00 0.60 H new ATOM 0 HG2 ARG A 95 0.643 7.419 -8.557 1.00 0.84 H new ATOM 0 HG3 ARG A 95 0.226 9.064 -8.120 1.00 0.84 H new ATOM 0 HD2 ARG A 95 3.025 8.773 -9.086 1.00 1.13 H new ATOM 0 HD3 ARG A 95 1.827 8.341 -10.289 1.00 1.13 H new ATOM 0 HE ARG A 95 1.298 10.922 -8.862 1.00 1.45 H new ATOM 0 HH11 ARG A 95 3.900 10.310 -10.749 1.00 2.14 H new ATOM 0 HH12 ARG A 95 3.376 11.216 -12.173 1.00 2.14 H new ATOM 0 HH21 ARG A 95 0.089 11.579 -11.040 1.00 2.21 H new ATOM 0 HH22 ARG A 95 1.238 11.928 -12.336 1.00 2.21 H new ATOM 858 N GLU A 96 4.327 6.786 -7.482 1.00 0.58 N ATOM 859 CA GLU A 96 5.458 6.279 -8.307 1.00 0.68 C ATOM 860 C GLU A 96 5.741 4.821 -7.940 1.00 0.63 C ATOM 861 O GLU A 96 5.744 3.947 -8.784 1.00 0.63 O ATOM 862 CB GLU A 96 6.705 7.124 -8.036 1.00 0.79 C ATOM 863 CG GLU A 96 7.732 6.892 -9.146 1.00 1.20 C ATOM 864 CD GLU A 96 8.467 8.201 -9.444 1.00 1.64 C ATOM 865 OE1 GLU A 96 9.442 8.478 -8.764 1.00 2.19 O ATOM 866 OE2 GLU A 96 8.042 8.904 -10.346 1.00 2.20 O ATOM 0 H GLU A 96 4.537 7.608 -6.916 1.00 0.58 H new ATOM 0 HA GLU A 96 5.197 6.345 -9.363 1.00 0.68 H new ATOM 0 HB2 GLU A 96 6.438 8.180 -7.988 1.00 0.79 H new ATOM 0 HB3 GLU A 96 7.133 6.859 -7.069 1.00 0.79 H new ATOM 0 HG2 GLU A 96 8.444 6.124 -8.843 1.00 1.20 H new ATOM 0 HG3 GLU A 96 7.235 6.529 -10.046 1.00 1.20 H new ATOM 873 N ALA A 97 5.979 4.553 -6.686 1.00 0.62 N ATOM 874 CA ALA A 97 6.262 3.152 -6.263 1.00 0.61 C ATOM 875 C ALA A 97 5.126 2.234 -6.723 1.00 0.61 C ATOM 876 O ALA A 97 5.326 1.058 -6.953 1.00 0.60 O ATOM 877 CB ALA A 97 6.374 3.094 -4.740 1.00 0.74 C ATOM 0 H ALA A 97 5.990 5.244 -5.935 1.00 0.62 H new ATOM 0 HA ALA A 97 7.198 2.822 -6.713 1.00 0.61 H new ATOM 0 HB1 ALA A 97 6.581 2.070 -4.429 1.00 0.74 H new ATOM 0 HB2 ALA A 97 7.184 3.744 -4.410 1.00 0.74 H new ATOM 0 HB3 ALA A 97 5.437 3.426 -4.293 1.00 0.74 H new ATOM 883 N GLY A 98 3.937 2.760 -6.857 1.00 0.69 N ATOM 884 CA GLY A 98 2.790 1.915 -7.301 1.00 0.78 C ATOM 885 C GLY A 98 3.156 1.202 -8.603 1.00 0.78 C ATOM 886 O GLY A 98 3.269 -0.007 -8.649 1.00 0.91 O ATOM 0 H GLY A 98 3.711 3.738 -6.678 1.00 0.69 H new ATOM 0 HA2 GLY A 98 2.543 1.184 -6.531 1.00 0.78 H new ATOM 0 HA3 GLY A 98 1.905 2.533 -7.449 1.00 0.78 H new ATOM 890 N ASP A 99 3.347 1.940 -9.661 1.00 0.73 N ATOM 891 CA ASP A 99 3.710 1.300 -10.957 1.00 0.81 C ATOM 892 C ASP A 99 5.063 0.595 -10.817 1.00 0.69 C ATOM 893 O ASP A 99 5.360 -0.342 -11.531 1.00 1.01 O ATOM 894 CB ASP A 99 3.802 2.372 -12.046 1.00 0.97 C ATOM 895 CG ASP A 99 2.420 2.590 -12.665 1.00 1.39 C ATOM 896 OD1 ASP A 99 2.003 1.750 -13.445 1.00 1.69 O ATOM 897 OD2 ASP A 99 1.802 3.593 -12.348 1.00 2.13 O ATOM 0 H ASP A 99 3.268 2.957 -9.685 1.00 0.73 H new ATOM 0 HA ASP A 99 2.947 0.570 -11.229 1.00 0.81 H new ATOM 0 HB2 ASP A 99 4.174 3.305 -11.622 1.00 0.97 H new ATOM 0 HB3 ASP A 99 4.512 2.065 -12.814 1.00 0.97 H new ATOM 902 N GLU A 100 5.887 1.039 -9.903 1.00 0.49 N ATOM 903 CA GLU A 100 7.218 0.395 -9.719 1.00 0.46 C ATOM 904 C GLU A 100 7.039 -1.110 -9.506 1.00 0.45 C ATOM 905 O GLU A 100 7.504 -1.913 -10.292 1.00 0.56 O ATOM 906 CB GLU A 100 7.911 1.006 -8.500 1.00 0.49 C ATOM 907 CG GLU A 100 9.421 0.781 -8.601 1.00 1.30 C ATOM 908 CD GLU A 100 9.973 1.551 -9.803 1.00 1.57 C ATOM 909 OE1 GLU A 100 9.248 2.373 -10.339 1.00 2.03 O ATOM 910 OE2 GLU A 100 11.112 1.305 -10.166 1.00 1.82 O ATOM 0 H GLU A 100 5.694 1.820 -9.277 1.00 0.49 H new ATOM 0 HA GLU A 100 7.827 0.561 -10.608 1.00 0.46 H new ATOM 0 HB2 GLU A 100 7.695 2.073 -8.443 1.00 0.49 H new ATOM 0 HB3 GLU A 100 7.526 0.554 -7.586 1.00 0.49 H new ATOM 0 HG2 GLU A 100 9.911 1.114 -7.686 1.00 1.30 H new ATOM 0 HG3 GLU A 100 9.635 -0.283 -8.708 1.00 1.30 H new ATOM 917 N PHE A 101 6.373 -1.502 -8.450 1.00 0.38 N ATOM 918 CA PHE A 101 6.170 -2.959 -8.195 1.00 0.46 C ATOM 919 C PHE A 101 5.551 -3.612 -9.434 1.00 0.55 C ATOM 920 O PHE A 101 5.856 -4.739 -9.770 1.00 0.69 O ATOM 921 CB PHE A 101 5.222 -3.152 -7.001 1.00 0.42 C ATOM 922 CG PHE A 101 5.993 -3.265 -5.700 1.00 0.43 C ATOM 923 CD1 PHE A 101 7.169 -4.028 -5.620 1.00 1.17 C ATOM 924 CD2 PHE A 101 5.515 -2.607 -4.561 1.00 1.20 C ATOM 925 CE1 PHE A 101 7.859 -4.124 -4.409 1.00 1.21 C ATOM 926 CE2 PHE A 101 6.208 -2.707 -3.352 1.00 1.19 C ATOM 927 CZ PHE A 101 7.379 -3.463 -3.278 1.00 0.52 C ATOM 0 H PHE A 101 5.962 -0.878 -7.756 1.00 0.38 H new ATOM 0 HA PHE A 101 7.133 -3.420 -7.974 1.00 0.46 H new ATOM 0 HB2 PHE A 101 4.529 -2.312 -6.944 1.00 0.42 H new ATOM 0 HB3 PHE A 101 4.623 -4.050 -7.151 1.00 0.42 H new ATOM 0 HD1 PHE A 101 7.540 -4.541 -6.495 1.00 1.17 H new ATOM 0 HD2 PHE A 101 4.609 -2.021 -4.617 1.00 1.20 H new ATOM 0 HE1 PHE A 101 8.764 -4.710 -4.348 1.00 1.21 H new ATOM 0 HE2 PHE A 101 5.837 -2.199 -2.474 1.00 1.19 H new ATOM 0 HZ PHE A 101 7.915 -3.536 -2.343 1.00 0.52 H new ATOM 937 N GLU A 102 4.684 -2.914 -10.115 1.00 0.55 N ATOM 938 CA GLU A 102 4.048 -3.496 -11.330 1.00 0.70 C ATOM 939 C GLU A 102 5.072 -3.546 -12.465 1.00 0.79 C ATOM 940 O GLU A 102 4.952 -2.852 -13.455 1.00 1.15 O ATOM 941 CB GLU A 102 2.860 -2.629 -11.753 1.00 0.83 C ATOM 942 CG GLU A 102 1.827 -3.498 -12.473 1.00 1.24 C ATOM 943 CD GLU A 102 0.725 -2.609 -13.051 1.00 2.01 C ATOM 944 OE1 GLU A 102 0.870 -1.400 -12.985 1.00 2.55 O ATOM 945 OE2 GLU A 102 -0.247 -3.153 -13.550 1.00 2.62 O ATOM 0 H GLU A 102 4.389 -1.966 -9.882 1.00 0.55 H new ATOM 0 HA GLU A 102 3.699 -4.505 -11.109 1.00 0.70 H new ATOM 0 HB2 GLU A 102 2.410 -2.158 -10.879 1.00 0.83 H new ATOM 0 HB3 GLU A 102 3.197 -1.826 -12.409 1.00 0.83 H new ATOM 0 HG2 GLU A 102 2.306 -4.066 -13.270 1.00 1.24 H new ATOM 0 HG3 GLU A 102 1.399 -4.222 -11.780 1.00 1.24 H new ATOM 952 N LEU A 103 6.079 -4.363 -12.328 1.00 0.78 N ATOM 953 CA LEU A 103 7.113 -4.461 -13.396 1.00 0.88 C ATOM 954 C LEU A 103 8.109 -5.565 -13.037 1.00 0.86 C ATOM 955 O LEU A 103 8.548 -6.319 -13.882 1.00 0.99 O ATOM 956 CB LEU A 103 7.852 -3.126 -13.516 1.00 1.09 C ATOM 957 CG LEU A 103 8.808 -3.176 -14.708 1.00 1.45 C ATOM 958 CD1 LEU A 103 8.792 -1.828 -15.432 1.00 1.89 C ATOM 959 CD2 LEU A 103 10.225 -3.470 -14.212 1.00 2.19 C ATOM 0 H LEU A 103 6.231 -4.968 -11.521 1.00 0.78 H new ATOM 0 HA LEU A 103 6.634 -4.696 -14.346 1.00 0.88 H new ATOM 0 HB2 LEU A 103 7.137 -2.313 -13.644 1.00 1.09 H new ATOM 0 HB3 LEU A 103 8.407 -2.922 -12.600 1.00 1.09 H new ATOM 0 HG LEU A 103 8.492 -3.961 -15.395 1.00 1.45 H new ATOM 0 HD11 LEU A 103 9.474 -1.863 -16.282 1.00 1.89 H new ATOM 0 HD12 LEU A 103 7.783 -1.616 -15.785 1.00 1.89 H new ATOM 0 HD13 LEU A 103 9.108 -1.043 -14.746 1.00 1.89 H new ATOM 0 HD21 LEU A 103 10.908 -3.506 -15.061 1.00 2.19 H new ATOM 0 HD22 LEU A 103 10.541 -2.684 -13.526 1.00 2.19 H new ATOM 0 HD23 LEU A 103 10.238 -4.430 -13.695 1.00 2.19 H new ATOM 971 N ARG A 104 8.469 -5.665 -11.786 1.00 0.85 N ATOM 972 CA ARG A 104 9.436 -6.720 -11.371 1.00 0.96 C ATOM 973 C ARG A 104 8.671 -7.929 -10.829 1.00 0.91 C ATOM 974 O ARG A 104 9.085 -9.060 -10.990 1.00 1.03 O ATOM 975 CB ARG A 104 10.355 -6.167 -10.279 1.00 1.12 C ATOM 976 CG ARG A 104 11.338 -7.253 -9.841 1.00 1.26 C ATOM 977 CD ARG A 104 12.566 -6.602 -9.201 1.00 1.53 C ATOM 978 NE ARG A 104 13.695 -7.575 -9.190 1.00 2.11 N ATOM 979 CZ ARG A 104 14.906 -7.170 -9.459 1.00 2.37 C ATOM 980 NH1 ARG A 104 15.529 -6.380 -8.628 1.00 2.60 N ATOM 981 NH2 ARG A 104 15.494 -7.556 -10.558 1.00 2.99 N ATOM 0 H ARG A 104 8.135 -5.062 -11.034 1.00 0.85 H new ATOM 0 HA ARG A 104 10.033 -7.024 -12.231 1.00 0.96 H new ATOM 0 HB2 ARG A 104 10.898 -5.299 -10.652 1.00 1.12 H new ATOM 0 HB3 ARG A 104 9.764 -5.832 -9.427 1.00 1.12 H new ATOM 0 HG2 ARG A 104 10.859 -7.927 -9.131 1.00 1.26 H new ATOM 0 HG3 ARG A 104 11.638 -7.855 -10.699 1.00 1.26 H new ATOM 0 HD2 ARG A 104 12.848 -5.708 -9.757 1.00 1.53 H new ATOM 0 HD3 ARG A 104 12.335 -6.286 -8.184 1.00 1.53 H new ATOM 0 HE ARG A 104 13.521 -8.556 -8.972 1.00 2.11 H new ATOM 0 HH11 ARG A 104 15.069 -6.079 -7.768 1.00 2.60 H new ATOM 0 HH12 ARG A 104 16.476 -6.063 -8.838 1.00 2.60 H new ATOM 0 HH21 ARG A 104 15.007 -8.174 -11.207 1.00 2.99 H new ATOM 0 HH22 ARG A 104 16.441 -7.239 -10.768 1.00 2.99 H new ATOM 995 N TYR A 105 7.556 -7.702 -10.188 1.00 0.79 N ATOM 996 CA TYR A 105 6.769 -8.843 -9.639 1.00 0.80 C ATOM 997 C TYR A 105 5.658 -9.216 -10.621 1.00 0.91 C ATOM 998 O TYR A 105 4.487 -9.060 -10.336 1.00 0.98 O ATOM 999 CB TYR A 105 6.147 -8.439 -8.301 1.00 0.76 C ATOM 1000 CG TYR A 105 7.228 -8.312 -7.255 1.00 0.64 C ATOM 1001 CD1 TYR A 105 7.658 -9.441 -6.547 1.00 1.22 C ATOM 1002 CD2 TYR A 105 7.796 -7.062 -6.988 1.00 1.30 C ATOM 1003 CE1 TYR A 105 8.657 -9.318 -5.574 1.00 1.20 C ATOM 1004 CE2 TYR A 105 8.794 -6.938 -6.014 1.00 1.37 C ATOM 1005 CZ TYR A 105 9.224 -8.066 -5.308 1.00 0.73 C ATOM 1006 OH TYR A 105 10.208 -7.945 -4.348 1.00 0.90 O ATOM 0 H TYR A 105 7.157 -6.778 -10.021 1.00 0.79 H new ATOM 0 HA TYR A 105 7.428 -9.698 -9.491 1.00 0.80 H new ATOM 0 HB2 TYR A 105 5.617 -7.493 -8.407 1.00 0.76 H new ATOM 0 HB3 TYR A 105 5.413 -9.183 -7.991 1.00 0.76 H new ATOM 0 HD1 TYR A 105 7.219 -10.406 -6.752 1.00 1.22 H new ATOM 0 HD2 TYR A 105 7.464 -6.191 -7.534 1.00 1.30 H new ATOM 0 HE1 TYR A 105 8.990 -10.189 -5.029 1.00 1.20 H new ATOM 0 HE2 TYR A 105 9.231 -5.972 -5.808 1.00 1.37 H new ATOM 0 HH TYR A 105 10.494 -7.010 -4.289 1.00 0.90 H new ATOM 1016 N ARG A 106 6.013 -9.707 -11.776 1.00 1.10 N ATOM 1017 CA ARG A 106 4.973 -10.087 -12.772 1.00 1.23 C ATOM 1018 C ARG A 106 4.411 -11.466 -12.421 1.00 1.22 C ATOM 1019 O ARG A 106 3.249 -11.746 -12.635 1.00 1.71 O ATOM 1020 CB ARG A 106 5.595 -10.129 -14.169 1.00 1.49 C ATOM 1021 CG ARG A 106 4.821 -9.194 -15.100 1.00 1.88 C ATOM 1022 CD ARG A 106 5.530 -9.117 -16.452 1.00 2.14 C ATOM 1023 NE ARG A 106 4.839 -10.009 -17.426 1.00 2.18 N ATOM 1024 CZ ARG A 106 4.656 -9.614 -18.656 1.00 2.26 C ATOM 1025 NH1 ARG A 106 4.033 -8.494 -18.896 1.00 2.46 N ATOM 1026 NH2 ARG A 106 5.098 -10.341 -19.646 1.00 2.81 N ATOM 0 H ARG A 106 6.977 -9.861 -12.073 1.00 1.10 H new ATOM 0 HA ARG A 106 4.168 -9.352 -12.756 1.00 1.23 H new ATOM 0 HB2 ARG A 106 6.642 -9.828 -14.122 1.00 1.49 H new ATOM 0 HB3 ARG A 106 5.573 -11.147 -14.558 1.00 1.49 H new ATOM 0 HG2 ARG A 106 3.802 -9.557 -15.232 1.00 1.88 H new ATOM 0 HG3 ARG A 106 4.750 -8.200 -14.658 1.00 1.88 H new ATOM 0 HD2 ARG A 106 5.528 -8.090 -16.818 1.00 2.14 H new ATOM 0 HD3 ARG A 106 6.573 -9.415 -16.345 1.00 2.14 H new ATOM 0 HE ARG A 106 4.509 -10.928 -17.131 1.00 2.18 H new ATOM 0 HH11 ARG A 106 3.688 -7.926 -18.122 1.00 2.46 H new ATOM 0 HH12 ARG A 106 3.890 -8.186 -19.858 1.00 2.46 H new ATOM 0 HH21 ARG A 106 5.586 -11.217 -19.458 1.00 2.81 H new ATOM 0 HH22 ARG A 106 4.956 -10.033 -20.608 1.00 2.81 H new ATOM 1040 N ARG A 107 5.228 -12.330 -11.883 1.00 0.97 N ATOM 1041 CA ARG A 107 4.738 -13.689 -11.518 1.00 1.04 C ATOM 1042 C ARG A 107 4.095 -13.641 -10.130 1.00 0.77 C ATOM 1043 O ARG A 107 3.155 -14.356 -9.845 1.00 1.05 O ATOM 1044 CB ARG A 107 5.914 -14.668 -11.504 1.00 1.34 C ATOM 1045 CG ARG A 107 6.162 -15.189 -12.921 1.00 1.51 C ATOM 1046 CD ARG A 107 7.239 -16.274 -12.886 1.00 2.01 C ATOM 1047 NE ARG A 107 8.517 -15.725 -13.421 1.00 2.75 N ATOM 1048 CZ ARG A 107 9.651 -16.295 -13.117 1.00 3.16 C ATOM 1049 NH1 ARG A 107 9.789 -17.586 -13.253 1.00 3.15 N ATOM 1050 NH2 ARG A 107 10.646 -15.576 -12.676 1.00 3.98 N ATOM 0 H ARG A 107 6.212 -12.154 -11.681 1.00 0.97 H new ATOM 0 HA ARG A 107 4.000 -14.020 -12.249 1.00 1.04 H new ATOM 0 HB2 ARG A 107 6.808 -14.173 -11.126 1.00 1.34 H new ATOM 0 HB3 ARG A 107 5.701 -15.499 -10.832 1.00 1.34 H new ATOM 0 HG2 ARG A 107 5.239 -15.592 -13.338 1.00 1.51 H new ATOM 0 HG3 ARG A 107 6.476 -14.372 -13.570 1.00 1.51 H new ATOM 0 HD2 ARG A 107 7.382 -16.626 -11.864 1.00 2.01 H new ATOM 0 HD3 ARG A 107 6.924 -17.133 -13.478 1.00 2.01 H new ATOM 0 HE ARG A 107 8.505 -14.903 -14.025 1.00 2.75 H new ATOM 0 HH11 ARG A 107 9.011 -18.149 -13.597 1.00 3.15 H new ATOM 0 HH12 ARG A 107 10.675 -18.032 -13.016 1.00 3.15 H new ATOM 0 HH21 ARG A 107 10.538 -14.567 -12.568 1.00 3.98 H new ATOM 0 HH22 ARG A 107 11.532 -16.022 -12.439 1.00 3.98 H new ATOM 1064 N ALA A 108 4.596 -12.803 -9.264 1.00 0.48 N ATOM 1065 CA ALA A 108 4.013 -12.708 -7.895 1.00 0.47 C ATOM 1066 C ALA A 108 2.631 -12.048 -7.963 1.00 0.52 C ATOM 1067 O ALA A 108 1.801 -12.242 -7.097 1.00 1.17 O ATOM 1068 CB ALA A 108 4.935 -11.870 -7.006 1.00 0.72 C ATOM 0 H ALA A 108 5.383 -12.180 -9.445 1.00 0.48 H new ATOM 0 HA ALA A 108 3.912 -13.710 -7.477 1.00 0.47 H new ATOM 0 HB1 ALA A 108 4.510 -11.800 -6.005 1.00 0.72 H new ATOM 0 HB2 ALA A 108 5.916 -12.342 -6.951 1.00 0.72 H new ATOM 0 HB3 ALA A 108 5.037 -10.870 -7.428 1.00 0.72 H new ATOM 1074 N PHE A 109 2.374 -11.271 -8.983 1.00 0.69 N ATOM 1075 CA PHE A 109 1.044 -10.606 -9.095 1.00 0.70 C ATOM 1076 C PHE A 109 0.134 -11.429 -10.013 1.00 0.81 C ATOM 1077 O PHE A 109 -0.690 -10.893 -10.727 1.00 0.96 O ATOM 1078 CB PHE A 109 1.227 -9.203 -9.681 1.00 0.85 C ATOM 1079 CG PHE A 109 0.708 -8.176 -8.702 1.00 0.60 C ATOM 1080 CD1 PHE A 109 -0.603 -8.267 -8.220 1.00 1.46 C ATOM 1081 CD2 PHE A 109 1.539 -7.133 -8.277 1.00 1.13 C ATOM 1082 CE1 PHE A 109 -1.083 -7.315 -7.313 1.00 1.32 C ATOM 1083 CE2 PHE A 109 1.059 -6.180 -7.370 1.00 1.26 C ATOM 1084 CZ PHE A 109 -0.252 -6.272 -6.888 1.00 0.55 C ATOM 0 H PHE A 109 3.026 -11.069 -9.741 1.00 0.69 H new ATOM 0 HA PHE A 109 0.589 -10.533 -8.107 1.00 0.70 H new ATOM 0 HB2 PHE A 109 2.281 -9.020 -9.892 1.00 0.85 H new ATOM 0 HB3 PHE A 109 0.693 -9.120 -10.628 1.00 0.85 H new ATOM 0 HD1 PHE A 109 -1.244 -9.072 -8.548 1.00 1.46 H new ATOM 0 HD2 PHE A 109 2.551 -7.063 -8.649 1.00 1.13 H new ATOM 0 HE1 PHE A 109 -2.095 -7.385 -6.941 1.00 1.32 H new ATOM 0 HE2 PHE A 109 1.700 -5.375 -7.043 1.00 1.26 H new ATOM 0 HZ PHE A 109 -0.622 -5.538 -6.188 1.00 0.55 H new ATOM 1094 N SER A 110 0.274 -12.727 -9.999 1.00 0.83 N ATOM 1095 CA SER A 110 -0.585 -13.577 -10.870 1.00 1.02 C ATOM 1096 C SER A 110 -1.506 -14.432 -9.998 1.00 1.07 C ATOM 1097 O SER A 110 -2.636 -14.703 -10.351 1.00 1.29 O ATOM 1098 CB SER A 110 0.299 -14.488 -11.723 1.00 1.00 C ATOM 1099 OG SER A 110 0.255 -14.053 -13.075 1.00 1.76 O ATOM 0 H SER A 110 0.945 -13.234 -9.423 1.00 0.83 H new ATOM 0 HA SER A 110 -1.186 -12.941 -11.520 1.00 1.02 H new ATOM 0 HB2 SER A 110 1.325 -14.467 -11.355 1.00 1.00 H new ATOM 0 HB3 SER A 110 -0.044 -15.520 -11.650 1.00 1.00 H new ATOM 0 HG SER A 110 0.822 -14.634 -13.624 1.00 1.76 H new ATOM 1105 N ASP A 111 -1.032 -14.858 -8.859 1.00 0.91 N ATOM 1106 CA ASP A 111 -1.882 -15.694 -7.964 1.00 1.05 C ATOM 1107 C ASP A 111 -2.320 -14.865 -6.755 1.00 0.93 C ATOM 1108 O ASP A 111 -2.525 -15.385 -5.676 1.00 1.01 O ATOM 1109 CB ASP A 111 -1.080 -16.907 -7.488 1.00 1.15 C ATOM 1110 CG ASP A 111 -1.853 -18.188 -7.807 1.00 1.50 C ATOM 1111 OD1 ASP A 111 -1.805 -18.616 -8.948 1.00 2.14 O ATOM 1112 OD2 ASP A 111 -2.480 -18.719 -6.905 1.00 1.86 O ATOM 0 H ASP A 111 -0.094 -14.664 -8.510 1.00 0.91 H new ATOM 0 HA ASP A 111 -2.763 -16.032 -8.510 1.00 1.05 H new ATOM 0 HB2 ASP A 111 -0.106 -16.926 -7.977 1.00 1.15 H new ATOM 0 HB3 ASP A 111 -0.897 -16.837 -6.416 1.00 1.15 H new ATOM 1117 N LEU A 112 -2.465 -13.580 -6.927 1.00 0.93 N ATOM 1118 CA LEU A 112 -2.890 -12.720 -5.786 1.00 0.83 C ATOM 1119 C LEU A 112 -4.362 -12.340 -5.956 1.00 0.92 C ATOM 1120 O LEU A 112 -5.085 -12.175 -4.994 1.00 0.99 O ATOM 1121 CB LEU A 112 -2.036 -11.450 -5.758 1.00 0.75 C ATOM 1122 CG LEU A 112 -1.110 -11.484 -4.541 1.00 0.52 C ATOM 1123 CD1 LEU A 112 0.148 -12.286 -4.878 1.00 0.51 C ATOM 1124 CD2 LEU A 112 -0.716 -10.055 -4.162 1.00 0.65 C ATOM 0 H LEU A 112 -2.308 -13.089 -7.807 1.00 0.93 H new ATOM 0 HA LEU A 112 -2.760 -13.266 -4.851 1.00 0.83 H new ATOM 0 HB2 LEU A 112 -1.449 -11.374 -6.673 1.00 0.75 H new ATOM 0 HB3 LEU A 112 -2.677 -10.569 -5.716 1.00 0.75 H new ATOM 0 HG LEU A 112 -1.627 -11.954 -3.704 1.00 0.52 H new ATOM 0 HD11 LEU A 112 0.808 -12.310 -4.010 1.00 0.51 H new ATOM 0 HD12 LEU A 112 -0.131 -13.304 -5.150 1.00 0.51 H new ATOM 0 HD13 LEU A 112 0.666 -11.816 -5.714 1.00 0.51 H new ATOM 0 HD21 LEU A 112 -0.056 -10.077 -3.295 1.00 0.65 H new ATOM 0 HD22 LEU A 112 -0.199 -9.586 -4.999 1.00 0.65 H new ATOM 0 HD23 LEU A 112 -1.612 -9.482 -3.922 1.00 0.65 H new ATOM 1136 N THR A 113 -4.812 -12.200 -7.173 1.00 1.01 N ATOM 1137 CA THR A 113 -6.237 -11.831 -7.403 1.00 1.19 C ATOM 1138 C THR A 113 -7.033 -13.082 -7.779 1.00 1.42 C ATOM 1139 O THR A 113 -8.211 -13.186 -7.500 1.00 1.83 O ATOM 1140 CB THR A 113 -6.322 -10.809 -8.540 1.00 1.40 C ATOM 1141 OG1 THR A 113 -5.288 -11.063 -9.480 1.00 2.06 O ATOM 1142 CG2 THR A 113 -6.164 -9.398 -7.973 1.00 1.36 C ATOM 0 H THR A 113 -4.254 -12.325 -8.018 1.00 1.01 H new ATOM 0 HA THR A 113 -6.652 -11.397 -6.493 1.00 1.19 H new ATOM 0 HB THR A 113 -7.290 -10.893 -9.033 1.00 1.40 H new ATOM 0 HG1 THR A 113 -5.342 -10.411 -10.210 1.00 2.06 H new ATOM 0 HG21 THR A 113 -6.225 -8.671 -8.783 1.00 1.36 H new ATOM 0 HG22 THR A 113 -6.958 -9.205 -7.252 1.00 1.36 H new ATOM 0 HG23 THR A 113 -5.196 -9.311 -7.479 1.00 1.36 H new ATOM 1150 N SER A 114 -6.400 -14.033 -8.410 1.00 1.36 N ATOM 1151 CA SER A 114 -7.123 -15.276 -8.802 1.00 1.60 C ATOM 1152 C SER A 114 -7.745 -15.917 -7.560 1.00 1.43 C ATOM 1153 O SER A 114 -8.775 -16.558 -7.631 1.00 1.59 O ATOM 1154 CB SER A 114 -6.140 -16.256 -9.443 1.00 2.02 C ATOM 1155 OG SER A 114 -6.786 -16.938 -10.511 1.00 2.94 O ATOM 0 H SER A 114 -5.414 -14.003 -8.671 1.00 1.36 H new ATOM 0 HA SER A 114 -7.909 -15.030 -9.516 1.00 1.60 H new ATOM 0 HB2 SER A 114 -5.265 -15.722 -9.814 1.00 2.02 H new ATOM 0 HB3 SER A 114 -5.786 -16.971 -8.701 1.00 2.02 H new ATOM 0 HG SER A 114 -6.158 -17.566 -10.925 1.00 2.94 H new ATOM 1161 N GLN A 115 -7.129 -15.748 -6.423 1.00 1.29 N ATOM 1162 CA GLN A 115 -7.686 -16.348 -5.177 1.00 1.23 C ATOM 1163 C GLN A 115 -8.489 -15.296 -4.408 1.00 1.01 C ATOM 1164 O GLN A 115 -8.639 -15.374 -3.204 1.00 1.07 O ATOM 1165 CB GLN A 115 -6.538 -16.843 -4.300 1.00 1.37 C ATOM 1166 CG GLN A 115 -6.526 -18.373 -4.286 1.00 1.71 C ATOM 1167 CD GLN A 115 -5.669 -18.866 -3.118 1.00 2.08 C ATOM 1168 OE1 GLN A 115 -5.616 -18.236 -2.080 1.00 2.48 O ATOM 1169 NE2 GLN A 115 -4.991 -19.974 -3.244 1.00 2.55 N ATOM 0 H GLN A 115 -6.264 -15.221 -6.302 1.00 1.29 H new ATOM 0 HA GLN A 115 -8.339 -17.180 -5.439 1.00 1.23 H new ATOM 0 HB2 GLN A 115 -5.588 -16.465 -4.679 1.00 1.37 H new ATOM 0 HB3 GLN A 115 -6.651 -16.461 -3.285 1.00 1.37 H new ATOM 0 HG2 GLN A 115 -7.543 -18.754 -4.191 1.00 1.71 H new ATOM 0 HG3 GLN A 115 -6.129 -18.753 -5.228 1.00 1.71 H new ATOM 0 HE21 GLN A 115 -5.035 -20.503 -4.115 1.00 2.55 H new ATOM 0 HE22 GLN A 115 -4.417 -20.311 -2.471 1.00 2.55 H new ATOM 1178 N LEU A 116 -9.005 -14.314 -5.090 1.00 0.94 N ATOM 1179 CA LEU A 116 -9.796 -13.259 -4.398 1.00 0.99 C ATOM 1180 C LEU A 116 -11.035 -12.922 -5.233 1.00 1.05 C ATOM 1181 O LEU A 116 -11.410 -11.775 -5.374 1.00 1.64 O ATOM 1182 CB LEU A 116 -8.931 -12.008 -4.224 1.00 1.13 C ATOM 1183 CG LEU A 116 -8.925 -11.592 -2.752 1.00 1.00 C ATOM 1184 CD1 LEU A 116 -7.774 -10.616 -2.502 1.00 1.49 C ATOM 1185 CD2 LEU A 116 -10.252 -10.914 -2.409 1.00 1.60 C ATOM 0 H LEU A 116 -8.913 -14.195 -6.099 1.00 0.94 H new ATOM 0 HA LEU A 116 -10.110 -13.618 -3.418 1.00 0.99 H new ATOM 0 HB2 LEU A 116 -7.914 -12.207 -4.561 1.00 1.13 H new ATOM 0 HB3 LEU A 116 -9.318 -11.197 -4.841 1.00 1.13 H new ATOM 0 HG LEU A 116 -8.795 -12.475 -2.126 1.00 1.00 H new ATOM 0 HD11 LEU A 116 -7.770 -10.320 -1.453 1.00 1.49 H new ATOM 0 HD12 LEU A 116 -6.828 -11.099 -2.746 1.00 1.49 H new ATOM 0 HD13 LEU A 116 -7.903 -9.733 -3.128 1.00 1.49 H new ATOM 0 HD21 LEU A 116 -10.249 -10.617 -1.360 1.00 1.60 H new ATOM 0 HD22 LEU A 116 -10.382 -10.032 -3.035 1.00 1.60 H new ATOM 0 HD23 LEU A 116 -11.072 -11.609 -2.587 1.00 1.60 H new ATOM 1197 N HIS A 117 -11.673 -13.917 -5.788 1.00 1.07 N ATOM 1198 CA HIS A 117 -12.887 -13.660 -6.614 1.00 1.08 C ATOM 1199 C HIS A 117 -13.896 -12.844 -5.802 1.00 0.93 C ATOM 1200 O HIS A 117 -14.361 -13.270 -4.764 1.00 1.03 O ATOM 1201 CB HIS A 117 -13.519 -14.993 -7.019 1.00 1.27 C ATOM 1202 CG HIS A 117 -13.625 -15.063 -8.517 1.00 1.44 C ATOM 1203 ND1 HIS A 117 -12.568 -15.471 -9.315 1.00 1.61 N ATOM 1204 CD2 HIS A 117 -14.658 -14.782 -9.378 1.00 1.92 C ATOM 1205 CE1 HIS A 117 -12.984 -15.423 -10.594 1.00 1.95 C ATOM 1206 NE2 HIS A 117 -14.250 -15.010 -10.689 1.00 2.17 N ATOM 0 H HIS A 117 -11.405 -14.898 -5.705 1.00 1.07 H new ATOM 0 HA HIS A 117 -12.606 -13.103 -7.508 1.00 1.08 H new ATOM 0 HB2 HIS A 117 -12.916 -15.821 -6.647 1.00 1.27 H new ATOM 0 HB3 HIS A 117 -14.507 -15.091 -6.569 1.00 1.27 H new ATOM 0 HD2 HIS A 117 -15.638 -14.437 -9.083 1.00 1.92 H new ATOM 0 HE1 HIS A 117 -12.368 -15.687 -11.441 1.00 1.95 H new ATOM 0 HE2 HIS A 117 -14.800 -14.888 -11.539 1.00 2.17 H new ATOM 1214 N ILE A 118 -14.237 -11.674 -6.268 1.00 0.88 N ATOM 1215 CA ILE A 118 -15.216 -10.832 -5.524 1.00 0.80 C ATOM 1216 C ILE A 118 -16.602 -11.474 -5.601 1.00 1.01 C ATOM 1217 O ILE A 118 -17.098 -11.779 -6.667 1.00 1.69 O ATOM 1218 CB ILE A 118 -15.264 -9.436 -6.148 1.00 0.86 C ATOM 1219 CG1 ILE A 118 -13.857 -8.834 -6.157 1.00 0.68 C ATOM 1220 CG2 ILE A 118 -16.194 -8.541 -5.327 1.00 1.34 C ATOM 1221 CD1 ILE A 118 -13.433 -8.500 -4.726 1.00 0.72 C ATOM 0 H ILE A 118 -13.880 -11.265 -7.131 1.00 0.88 H new ATOM 0 HA ILE A 118 -14.910 -10.753 -4.481 1.00 0.80 H new ATOM 0 HB ILE A 118 -15.637 -9.508 -7.170 1.00 0.86 H new ATOM 0 HG12 ILE A 118 -13.152 -9.537 -6.601 1.00 0.68 H new ATOM 0 HG13 ILE A 118 -13.839 -7.934 -6.772 1.00 0.68 H new ATOM 0 HG21 ILE A 118 -16.228 -7.546 -5.772 1.00 1.34 H new ATOM 0 HG22 ILE A 118 -17.196 -8.969 -5.318 1.00 1.34 H new ATOM 0 HG23 ILE A 118 -15.821 -8.469 -4.305 1.00 1.34 H new ATOM 0 HD11 ILE A 118 -12.431 -8.071 -4.734 1.00 0.72 H new ATOM 0 HD12 ILE A 118 -14.132 -7.781 -4.298 1.00 0.72 H new ATOM 0 HD13 ILE A 118 -13.434 -9.409 -4.125 1.00 0.72 H new ATOM 1233 N THR A 119 -17.232 -11.681 -4.477 1.00 0.96 N ATOM 1234 CA THR A 119 -18.586 -12.304 -4.485 1.00 1.25 C ATOM 1235 C THR A 119 -19.229 -12.140 -3.106 1.00 1.46 C ATOM 1236 O THR A 119 -18.555 -11.843 -2.139 1.00 2.06 O ATOM 1237 CB THR A 119 -18.458 -13.793 -4.815 1.00 1.39 C ATOM 1238 OG1 THR A 119 -17.099 -14.189 -4.692 1.00 1.36 O ATOM 1239 CG2 THR A 119 -18.937 -14.043 -6.246 1.00 1.57 C ATOM 0 H THR A 119 -16.868 -11.446 -3.554 1.00 0.96 H new ATOM 0 HA THR A 119 -19.208 -11.817 -5.236 1.00 1.25 H new ATOM 0 HB THR A 119 -19.069 -14.373 -4.123 1.00 1.39 H new ATOM 0 HG1 THR A 119 -17.016 -15.143 -4.902 1.00 1.36 H new ATOM 0 HG21 THR A 119 -18.846 -15.104 -6.480 1.00 1.57 H new ATOM 0 HG22 THR A 119 -19.980 -13.739 -6.339 1.00 1.57 H new ATOM 0 HG23 THR A 119 -18.328 -13.464 -6.940 1.00 1.57 H new ATOM 1247 N PRO A 120 -20.519 -12.338 -3.062 1.00 1.17 N ATOM 1248 CA PRO A 120 -21.305 -12.225 -1.829 1.00 1.36 C ATOM 1249 C PRO A 120 -21.019 -13.417 -0.912 1.00 1.97 C ATOM 1250 O PRO A 120 -21.869 -14.254 -0.681 1.00 2.53 O ATOM 1251 CB PRO A 120 -22.765 -12.228 -2.268 1.00 1.11 C ATOM 1252 CG PRO A 120 -22.717 -12.974 -3.625 1.00 1.39 C ATOM 1253 CD PRO A 120 -21.326 -12.699 -4.248 1.00 1.16 C ATOM 0 HA PRO A 120 -21.058 -11.322 -1.271 1.00 1.36 H new ATOM 0 HB2 PRO A 120 -23.402 -12.741 -1.548 1.00 1.11 H new ATOM 0 HB3 PRO A 120 -23.156 -11.216 -2.377 1.00 1.11 H new ATOM 0 HG2 PRO A 120 -22.870 -14.044 -3.482 1.00 1.39 H new ATOM 0 HG3 PRO A 120 -23.511 -12.624 -4.285 1.00 1.39 H new ATOM 0 HD2 PRO A 120 -20.928 -13.576 -4.760 1.00 1.16 H new ATOM 0 HD3 PRO A 120 -21.360 -11.891 -4.979 1.00 1.16 H new ATOM 1261 N GLY A 121 -19.826 -13.500 -0.388 1.00 2.13 N ATOM 1262 CA GLY A 121 -19.484 -14.637 0.513 1.00 2.83 C ATOM 1263 C GLY A 121 -18.276 -14.259 1.373 1.00 2.53 C ATOM 1264 O GLY A 121 -18.411 -13.904 2.527 1.00 2.94 O ATOM 0 H GLY A 121 -19.074 -12.829 -0.545 1.00 2.13 H new ATOM 0 HA2 GLY A 121 -20.335 -14.880 1.149 1.00 2.83 H new ATOM 0 HA3 GLY A 121 -19.261 -15.527 -0.075 1.00 2.83 H new ATOM 1268 N THR A 122 -17.096 -14.334 0.821 1.00 1.94 N ATOM 1269 CA THR A 122 -15.882 -13.978 1.608 1.00 1.76 C ATOM 1270 C THR A 122 -15.648 -12.469 1.526 1.00 1.25 C ATOM 1271 O THR A 122 -16.387 -11.751 0.881 1.00 1.40 O ATOM 1272 CB THR A 122 -14.669 -14.715 1.035 1.00 2.04 C ATOM 1273 OG1 THR A 122 -13.550 -14.514 1.887 1.00 2.35 O ATOM 1274 CG2 THR A 122 -14.353 -14.177 -0.361 1.00 1.77 C ATOM 0 H THR A 122 -16.920 -14.626 -0.140 1.00 1.94 H new ATOM 0 HA THR A 122 -16.024 -14.268 2.649 1.00 1.76 H new ATOM 0 HB THR A 122 -14.890 -15.780 0.968 1.00 2.04 H new ATOM 0 HG1 THR A 122 -12.958 -15.294 1.839 1.00 2.35 H new ATOM 0 HG21 THR A 122 -13.489 -14.703 -0.767 1.00 1.77 H new ATOM 0 HG22 THR A 122 -15.212 -14.332 -1.014 1.00 1.77 H new ATOM 0 HG23 THR A 122 -14.132 -13.111 -0.299 1.00 1.77 H new ATOM 1282 N ALA A 123 -14.626 -11.979 2.173 1.00 1.16 N ATOM 1283 CA ALA A 123 -14.351 -10.515 2.128 1.00 1.29 C ATOM 1284 C ALA A 123 -13.043 -10.214 2.863 1.00 1.14 C ATOM 1285 O ALA A 123 -12.016 -9.990 2.255 1.00 1.81 O ATOM 1286 CB ALA A 123 -15.500 -9.761 2.800 1.00 2.01 C ATOM 0 H ALA A 123 -13.971 -12.528 2.730 1.00 1.16 H new ATOM 0 HA ALA A 123 -14.263 -10.195 1.090 1.00 1.29 H new ATOM 0 HB1 ALA A 123 -15.300 -8.690 2.768 1.00 2.01 H new ATOM 0 HB2 ALA A 123 -16.431 -9.973 2.274 1.00 2.01 H new ATOM 0 HB3 ALA A 123 -15.589 -10.083 3.838 1.00 2.01 H new ATOM 1292 N TYR A 124 -13.073 -10.203 4.168 1.00 0.85 N ATOM 1293 CA TYR A 124 -11.831 -9.914 4.939 1.00 0.80 C ATOM 1294 C TYR A 124 -11.054 -11.212 5.171 1.00 0.68 C ATOM 1295 O TYR A 124 -9.844 -11.210 5.281 1.00 0.66 O ATOM 1296 CB TYR A 124 -12.202 -9.294 6.288 1.00 1.31 C ATOM 1297 CG TYR A 124 -11.680 -10.169 7.403 1.00 1.40 C ATOM 1298 CD1 TYR A 124 -12.454 -11.235 7.876 1.00 2.01 C ATOM 1299 CD2 TYR A 124 -10.423 -9.913 7.963 1.00 2.07 C ATOM 1300 CE1 TYR A 124 -11.971 -12.046 8.910 1.00 2.62 C ATOM 1301 CE2 TYR A 124 -9.940 -10.724 8.997 1.00 2.80 C ATOM 1302 CZ TYR A 124 -10.713 -11.790 9.471 1.00 2.89 C ATOM 1303 OH TYR A 124 -10.237 -12.589 10.490 1.00 3.79 O ATOM 0 H TYR A 124 -13.903 -10.382 4.733 1.00 0.85 H new ATOM 0 HA TYR A 124 -11.210 -9.218 4.375 1.00 0.80 H new ATOM 0 HB2 TYR A 124 -11.780 -8.292 6.369 1.00 1.31 H new ATOM 0 HB3 TYR A 124 -13.284 -9.191 6.368 1.00 1.31 H new ATOM 0 HD1 TYR A 124 -13.424 -11.432 7.443 1.00 2.01 H new ATOM 0 HD2 TYR A 124 -9.826 -9.090 7.598 1.00 2.07 H new ATOM 0 HE1 TYR A 124 -12.568 -12.869 9.275 1.00 2.62 H new ATOM 0 HE2 TYR A 124 -8.970 -10.527 9.429 1.00 2.80 H new ATOM 0 HH TYR A 124 -9.350 -12.276 10.764 1.00 3.79 H new ATOM 1313 N GLN A 125 -11.738 -12.320 5.248 1.00 0.76 N ATOM 1314 CA GLN A 125 -11.036 -13.614 5.475 1.00 0.79 C ATOM 1315 C GLN A 125 -10.059 -13.876 4.326 1.00 0.69 C ATOM 1316 O GLN A 125 -8.859 -13.767 4.481 1.00 0.65 O ATOM 1317 CB GLN A 125 -12.062 -14.747 5.539 1.00 1.08 C ATOM 1318 CG GLN A 125 -12.733 -14.751 6.914 1.00 1.37 C ATOM 1319 CD GLN A 125 -12.982 -16.194 7.357 1.00 2.07 C ATOM 1320 OE1 GLN A 125 -12.100 -17.026 7.280 1.00 2.95 O ATOM 1321 NE2 GLN A 125 -14.155 -16.528 7.821 1.00 2.23 N ATOM 0 H GLN A 125 -12.752 -12.385 5.164 1.00 0.76 H new ATOM 0 HA GLN A 125 -10.486 -13.567 6.415 1.00 0.79 H new ATOM 0 HB2 GLN A 125 -12.811 -14.618 4.758 1.00 1.08 H new ATOM 0 HB3 GLN A 125 -11.574 -15.705 5.358 1.00 1.08 H new ATOM 0 HG2 GLN A 125 -12.101 -14.241 7.640 1.00 1.37 H new ATOM 0 HG3 GLN A 125 -13.675 -14.205 6.872 1.00 1.37 H new ATOM 0 HE21 GLN A 125 -14.896 -15.830 7.886 1.00 2.23 H new ATOM 0 HE22 GLN A 125 -14.331 -17.487 8.119 1.00 2.23 H new ATOM 1330 N SER A 126 -10.564 -14.220 3.173 1.00 0.72 N ATOM 1331 CA SER A 126 -9.664 -14.490 2.015 1.00 0.72 C ATOM 1332 C SER A 126 -8.754 -13.282 1.780 1.00 0.62 C ATOM 1333 O SER A 126 -7.582 -13.424 1.494 1.00 0.69 O ATOM 1334 CB SER A 126 -10.507 -14.744 0.765 1.00 0.85 C ATOM 1335 OG SER A 126 -11.006 -16.074 0.797 1.00 1.45 O ATOM 0 H SER A 126 -11.560 -14.326 2.982 1.00 0.72 H new ATOM 0 HA SER A 126 -9.053 -15.367 2.227 1.00 0.72 H new ATOM 0 HB2 SER A 126 -11.333 -14.034 0.719 1.00 0.85 H new ATOM 0 HB3 SER A 126 -9.905 -14.591 -0.131 1.00 0.85 H new ATOM 0 HG SER A 126 -11.548 -16.239 -0.002 1.00 1.45 H new ATOM 1341 N PHE A 127 -9.284 -12.095 1.896 1.00 0.52 N ATOM 1342 CA PHE A 127 -8.447 -10.881 1.677 1.00 0.55 C ATOM 1343 C PHE A 127 -7.224 -10.928 2.595 1.00 0.45 C ATOM 1344 O PHE A 127 -6.096 -10.920 2.143 1.00 0.43 O ATOM 1345 CB PHE A 127 -9.271 -9.631 1.990 1.00 0.68 C ATOM 1346 CG PHE A 127 -8.379 -8.414 1.941 1.00 0.85 C ATOM 1347 CD1 PHE A 127 -8.083 -7.812 0.712 1.00 1.23 C ATOM 1348 CD2 PHE A 127 -7.849 -7.886 3.124 1.00 1.07 C ATOM 1349 CE1 PHE A 127 -7.256 -6.684 0.666 1.00 1.66 C ATOM 1350 CE2 PHE A 127 -7.021 -6.758 3.078 1.00 1.53 C ATOM 1351 CZ PHE A 127 -6.725 -6.156 1.849 1.00 1.78 C ATOM 0 H PHE A 127 -10.259 -11.913 2.133 1.00 0.52 H new ATOM 0 HA PHE A 127 -8.119 -10.851 0.638 1.00 0.55 H new ATOM 0 HB2 PHE A 127 -10.083 -9.529 1.271 1.00 0.68 H new ATOM 0 HB3 PHE A 127 -9.727 -9.721 2.976 1.00 0.68 H new ATOM 0 HD1 PHE A 127 -8.493 -8.218 -0.201 1.00 1.23 H new ATOM 0 HD2 PHE A 127 -8.079 -8.349 4.072 1.00 1.07 H new ATOM 0 HE1 PHE A 127 -7.027 -6.221 -0.282 1.00 1.66 H new ATOM 0 HE2 PHE A 127 -6.610 -6.352 3.991 1.00 1.53 H new ATOM 0 HZ PHE A 127 -6.088 -5.285 1.814 1.00 1.78 H new ATOM 1361 N GLU A 128 -7.437 -10.976 3.881 1.00 0.51 N ATOM 1362 CA GLU A 128 -6.286 -11.022 4.827 1.00 0.55 C ATOM 1363 C GLU A 128 -5.389 -12.213 4.487 1.00 0.50 C ATOM 1364 O GLU A 128 -4.189 -12.174 4.679 1.00 0.60 O ATOM 1365 CB GLU A 128 -6.808 -11.170 6.258 1.00 0.68 C ATOM 1366 CG GLU A 128 -5.865 -10.449 7.223 1.00 1.04 C ATOM 1367 CD GLU A 128 -6.230 -10.813 8.663 1.00 1.41 C ATOM 1368 OE1 GLU A 128 -5.951 -11.933 9.059 1.00 2.23 O ATOM 1369 OE2 GLU A 128 -6.783 -9.967 9.345 1.00 1.61 O ATOM 0 H GLU A 128 -8.359 -10.985 4.318 1.00 0.51 H new ATOM 0 HA GLU A 128 -5.711 -10.100 4.742 1.00 0.55 H new ATOM 0 HB2 GLU A 128 -7.812 -10.753 6.335 1.00 0.68 H new ATOM 0 HB3 GLU A 128 -6.880 -12.225 6.523 1.00 0.68 H new ATOM 0 HG2 GLU A 128 -4.832 -10.730 7.017 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -5.937 -9.371 7.080 1.00 1.04 H new ATOM 1376 N GLN A 129 -5.958 -13.274 3.984 1.00 0.45 N ATOM 1377 CA GLN A 129 -5.135 -14.466 3.635 1.00 0.50 C ATOM 1378 C GLN A 129 -4.192 -14.118 2.481 1.00 0.42 C ATOM 1379 O GLN A 129 -3.069 -14.579 2.425 1.00 0.54 O ATOM 1380 CB GLN A 129 -6.054 -15.615 3.213 1.00 0.62 C ATOM 1381 CG GLN A 129 -5.441 -16.947 3.652 1.00 1.26 C ATOM 1382 CD GLN A 129 -6.438 -18.078 3.396 1.00 1.72 C ATOM 1383 OE1 GLN A 129 -7.541 -17.841 2.946 1.00 2.07 O ATOM 1384 NE2 GLN A 129 -6.094 -19.308 3.665 1.00 2.48 N ATOM 0 H GLN A 129 -6.957 -13.367 3.800 1.00 0.45 H new ATOM 0 HA GLN A 129 -4.549 -14.768 4.503 1.00 0.50 H new ATOM 0 HB2 GLN A 129 -7.039 -15.490 3.662 1.00 0.62 H new ATOM 0 HB3 GLN A 129 -6.193 -15.605 2.132 1.00 0.62 H new ATOM 0 HG2 GLN A 129 -4.517 -17.132 3.104 1.00 1.26 H new ATOM 0 HG3 GLN A 129 -5.182 -16.909 4.710 1.00 1.26 H new ATOM 0 HE21 GLN A 129 -5.168 -19.508 4.043 1.00 2.48 H new ATOM 0 HE22 GLN A 129 -6.751 -20.070 3.497 1.00 2.48 H new ATOM 1393 N VAL A 130 -4.637 -13.308 1.560 1.00 0.38 N ATOM 1394 CA VAL A 130 -3.764 -12.932 0.412 1.00 0.35 C ATOM 1395 C VAL A 130 -2.772 -11.855 0.856 1.00 0.28 C ATOM 1396 O VAL A 130 -1.579 -11.980 0.667 1.00 0.32 O ATOM 1397 CB VAL A 130 -4.627 -12.393 -0.730 1.00 0.43 C ATOM 1398 CG1 VAL A 130 -3.763 -12.200 -1.977 1.00 0.50 C ATOM 1399 CG2 VAL A 130 -5.747 -13.390 -1.036 1.00 0.49 C ATOM 0 H VAL A 130 -5.567 -12.890 1.553 1.00 0.38 H new ATOM 0 HA VAL A 130 -3.216 -13.810 0.069 1.00 0.35 H new ATOM 0 HB VAL A 130 -5.060 -11.437 -0.437 1.00 0.43 H new ATOM 0 HG11 VAL A 130 -4.379 -11.816 -2.790 1.00 0.50 H new ATOM 0 HG12 VAL A 130 -2.964 -11.491 -1.760 1.00 0.50 H new ATOM 0 HG13 VAL A 130 -3.329 -13.156 -2.271 1.00 0.50 H new ATOM 0 HG21 VAL A 130 -6.363 -13.007 -1.850 1.00 0.49 H new ATOM 0 HG22 VAL A 130 -5.313 -14.346 -1.328 1.00 0.49 H new ATOM 0 HG23 VAL A 130 -6.364 -13.528 -0.148 1.00 0.49 H new ATOM 1409 N VAL A 131 -3.256 -10.796 1.444 1.00 0.27 N ATOM 1410 CA VAL A 131 -2.339 -9.712 1.898 1.00 0.27 C ATOM 1411 C VAL A 131 -1.275 -10.297 2.830 1.00 0.26 C ATOM 1412 O VAL A 131 -0.165 -9.810 2.904 1.00 0.27 O ATOM 1413 CB VAL A 131 -3.143 -8.647 2.647 1.00 0.36 C ATOM 1414 CG1 VAL A 131 -2.190 -7.744 3.431 1.00 1.01 C ATOM 1415 CG2 VAL A 131 -3.932 -7.805 1.642 1.00 0.82 C ATOM 0 H VAL A 131 -4.246 -10.634 1.630 1.00 0.27 H new ATOM 0 HA VAL A 131 -1.853 -9.261 1.033 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.833 -9.132 3.338 1.00 0.36 H new ATOM 0 HG11 VAL A 131 -2.763 -6.986 3.964 1.00 1.01 H new ATOM 0 HG12 VAL A 131 -1.627 -8.343 4.147 1.00 1.01 H new ATOM 0 HG13 VAL A 131 -1.499 -7.258 2.742 1.00 1.01 H new ATOM 0 HG21 VAL A 131 -4.505 -7.046 2.174 1.00 0.82 H new ATOM 0 HG22 VAL A 131 -3.241 -7.321 0.952 1.00 0.82 H new ATOM 0 HG23 VAL A 131 -4.612 -8.448 1.083 1.00 0.82 H new ATOM 1425 N ASN A 132 -1.606 -11.340 3.542 1.00 0.29 N ATOM 1426 CA ASN A 132 -0.614 -11.955 4.469 1.00 0.34 C ATOM 1427 C ASN A 132 0.613 -12.422 3.680 1.00 0.38 C ATOM 1428 O ASN A 132 1.708 -12.485 4.203 1.00 0.44 O ATOM 1429 CB ASN A 132 -1.253 -13.155 5.173 1.00 0.35 C ATOM 1430 CG ASN A 132 -1.340 -12.879 6.675 1.00 0.77 C ATOM 1431 OD1 ASN A 132 -2.146 -12.083 7.113 1.00 1.62 O ATOM 1432 ND2 ASN A 132 -0.538 -13.510 7.489 1.00 1.28 N ATOM 0 H ASN A 132 -2.520 -11.792 3.522 1.00 0.29 H new ATOM 0 HA ASN A 132 -0.306 -11.216 5.209 1.00 0.34 H new ATOM 0 HB2 ASN A 132 -2.248 -13.340 4.768 1.00 0.35 H new ATOM 0 HB3 ASN A 132 -0.663 -14.053 4.991 1.00 0.35 H new ATOM 0 HD21 ASN A 132 -0.588 -13.334 8.493 1.00 1.28 H new ATOM 0 HD22 ASN A 132 0.139 -14.179 7.122 1.00 1.28 H new ATOM 1439 N GLU A 133 0.441 -12.750 2.428 1.00 0.38 N ATOM 1440 CA GLU A 133 1.600 -13.213 1.612 1.00 0.45 C ATOM 1441 C GLU A 133 2.725 -12.177 1.677 1.00 0.48 C ATOM 1442 O GLU A 133 3.872 -12.508 1.902 1.00 0.64 O ATOM 1443 CB GLU A 133 1.159 -13.398 0.158 1.00 0.48 C ATOM 1444 CG GLU A 133 1.675 -14.740 -0.365 1.00 1.07 C ATOM 1445 CD GLU A 133 3.186 -14.655 -0.582 1.00 1.63 C ATOM 1446 OE1 GLU A 133 3.906 -14.634 0.402 1.00 2.20 O ATOM 1447 OE2 GLU A 133 3.598 -14.612 -1.730 1.00 2.22 O ATOM 0 H GLU A 133 -0.451 -12.717 1.935 1.00 0.38 H new ATOM 0 HA GLU A 133 1.962 -14.162 2.007 1.00 0.45 H new ATOM 0 HB2 GLU A 133 0.072 -13.363 0.089 1.00 0.48 H new ATOM 0 HB3 GLU A 133 1.544 -12.584 -0.456 1.00 0.48 H new ATOM 0 HG2 GLU A 133 1.443 -15.533 0.346 1.00 1.07 H new ATOM 0 HG3 GLU A 133 1.176 -14.994 -1.300 1.00 1.07 H new ATOM 1454 N LEU A 134 2.409 -10.926 1.481 1.00 0.37 N ATOM 1455 CA LEU A 134 3.466 -9.876 1.532 1.00 0.40 C ATOM 1456 C LEU A 134 3.817 -9.575 2.993 1.00 0.43 C ATOM 1457 O LEU A 134 4.924 -9.185 3.308 1.00 0.56 O ATOM 1458 CB LEU A 134 2.958 -8.607 0.836 1.00 0.35 C ATOM 1459 CG LEU A 134 3.650 -8.463 -0.526 1.00 0.66 C ATOM 1460 CD1 LEU A 134 3.500 -9.751 -1.326 1.00 1.23 C ATOM 1461 CD2 LEU A 134 3.014 -7.332 -1.327 1.00 1.30 C ATOM 0 H LEU A 134 1.467 -10.586 1.288 1.00 0.37 H new ATOM 0 HA LEU A 134 4.361 -10.228 1.019 1.00 0.40 H new ATOM 0 HB2 LEU A 134 1.877 -8.659 0.704 1.00 0.35 H new ATOM 0 HB3 LEU A 134 3.162 -7.733 1.454 1.00 0.35 H new ATOM 0 HG LEU A 134 4.704 -8.248 -0.349 1.00 0.66 H new ATOM 0 HD11 LEU A 134 3.994 -9.639 -2.291 1.00 1.23 H new ATOM 0 HD12 LEU A 134 3.956 -10.575 -0.778 1.00 1.23 H new ATOM 0 HD13 LEU A 134 2.442 -9.961 -1.482 1.00 1.23 H new ATOM 0 HD21 LEU A 134 3.515 -7.242 -2.291 1.00 1.30 H new ATOM 0 HD22 LEU A 134 1.958 -7.548 -1.486 1.00 1.30 H new ATOM 0 HD23 LEU A 134 3.114 -6.396 -0.777 1.00 1.30 H new ATOM 1473 N PHE A 135 2.887 -9.757 3.891 1.00 0.36 N ATOM 1474 CA PHE A 135 3.179 -9.484 5.328 1.00 0.43 C ATOM 1475 C PHE A 135 3.418 -10.808 6.059 1.00 0.49 C ATOM 1476 O PHE A 135 2.719 -11.146 6.994 1.00 0.59 O ATOM 1477 CB PHE A 135 1.992 -8.761 5.967 1.00 0.40 C ATOM 1478 CG PHE A 135 1.852 -7.382 5.367 1.00 0.37 C ATOM 1479 CD1 PHE A 135 2.973 -6.550 5.251 1.00 1.16 C ATOM 1480 CD2 PHE A 135 0.601 -6.936 4.927 1.00 1.15 C ATOM 1481 CE1 PHE A 135 2.840 -5.272 4.695 1.00 1.14 C ATOM 1482 CE2 PHE A 135 0.468 -5.659 4.372 1.00 1.18 C ATOM 1483 CZ PHE A 135 1.588 -4.827 4.255 1.00 0.38 C ATOM 0 H PHE A 135 1.941 -10.082 3.693 1.00 0.36 H new ATOM 0 HA PHE A 135 4.068 -8.857 5.402 1.00 0.43 H new ATOM 0 HB2 PHE A 135 1.077 -9.332 5.807 1.00 0.40 H new ATOM 0 HB3 PHE A 135 2.137 -8.686 7.045 1.00 0.40 H new ATOM 0 HD1 PHE A 135 3.939 -6.894 5.590 1.00 1.16 H new ATOM 0 HD2 PHE A 135 -0.263 -7.578 5.016 1.00 1.15 H new ATOM 0 HE1 PHE A 135 3.703 -4.629 4.606 1.00 1.14 H new ATOM 0 HE2 PHE A 135 -0.498 -5.315 4.034 1.00 1.18 H new ATOM 0 HZ PHE A 135 1.486 -3.842 3.825 1.00 0.38 H new ATOM 1493 N ARG A 136 4.401 -11.560 5.644 1.00 0.62 N ATOM 1494 CA ARG A 136 4.682 -12.860 6.319 1.00 0.70 C ATOM 1495 C ARG A 136 6.182 -12.980 6.591 1.00 0.86 C ATOM 1496 O ARG A 136 6.610 -13.091 7.722 1.00 0.55 O ATOM 1497 CB ARG A 136 4.234 -14.013 5.418 1.00 0.71 C ATOM 1498 CG ARG A 136 4.383 -15.337 6.171 1.00 0.91 C ATOM 1499 CD ARG A 136 4.889 -16.415 5.211 1.00 1.11 C ATOM 1500 NE ARG A 136 4.198 -17.703 5.501 1.00 1.86 N ATOM 1501 CZ ARG A 136 4.168 -18.644 4.598 1.00 2.51 C ATOM 1502 NH1 ARG A 136 5.279 -19.068 4.060 1.00 3.26 N ATOM 1503 NH2 ARG A 136 3.028 -19.162 4.233 1.00 2.96 N ATOM 0 H ARG A 136 5.021 -11.331 4.867 1.00 0.62 H new ATOM 0 HA ARG A 136 4.136 -12.903 7.262 1.00 0.70 H new ATOM 0 HB2 ARG A 136 3.197 -13.870 5.115 1.00 0.71 H new ATOM 0 HB3 ARG A 136 4.833 -14.031 4.507 1.00 0.71 H new ATOM 0 HG2 ARG A 136 5.079 -15.219 7.002 1.00 0.91 H new ATOM 0 HG3 ARG A 136 3.425 -15.635 6.597 1.00 0.91 H new ATOM 0 HD2 ARG A 136 4.703 -16.115 4.180 1.00 1.11 H new ATOM 0 HD3 ARG A 136 5.967 -16.536 5.319 1.00 1.11 H new ATOM 0 HE ARG A 136 3.749 -17.849 6.405 1.00 1.86 H new ATOM 0 HH11 ARG A 136 6.171 -18.664 4.346 1.00 3.26 H new ATOM 0 HH12 ARG A 136 5.255 -19.804 3.354 1.00 3.26 H new ATOM 0 HH21 ARG A 136 2.160 -18.831 4.654 1.00 2.96 H new ATOM 0 HH22 ARG A 136 3.005 -19.898 3.527 1.00 2.96 H new ATOM 1517 N ASP A 137 6.983 -12.959 5.561 1.00 1.78 N ATOM 1518 CA ASP A 137 8.456 -13.071 5.759 1.00 2.14 C ATOM 1519 C ASP A 137 8.926 -11.997 6.745 1.00 1.34 C ATOM 1520 O ASP A 137 9.924 -12.157 7.419 1.00 1.37 O ATOM 1521 CB ASP A 137 9.166 -12.877 4.418 1.00 2.87 C ATOM 1522 CG ASP A 137 10.295 -13.901 4.286 1.00 3.96 C ATOM 1523 OD1 ASP A 137 10.970 -14.139 5.273 1.00 4.48 O ATOM 1524 OD2 ASP A 137 10.463 -14.430 3.200 1.00 4.57 O ATOM 0 H ASP A 137 6.681 -12.869 4.591 1.00 1.78 H new ATOM 0 HA ASP A 137 8.693 -14.057 6.158 1.00 2.14 H new ATOM 0 HB2 ASP A 137 8.457 -12.994 3.599 1.00 2.87 H new ATOM 0 HB3 ASP A 137 9.568 -11.866 4.350 1.00 2.87 H new ATOM 1529 N GLY A 138 8.217 -10.904 6.836 1.00 0.83 N ATOM 1530 CA GLY A 138 8.628 -9.826 7.778 1.00 0.98 C ATOM 1531 C GLY A 138 8.141 -8.476 7.251 1.00 1.03 C ATOM 1532 O GLY A 138 8.326 -8.146 6.097 1.00 1.95 O ATOM 0 H GLY A 138 7.372 -10.712 6.299 1.00 0.83 H new ATOM 0 HA2 GLY A 138 8.211 -10.014 8.767 1.00 0.98 H new ATOM 0 HA3 GLY A 138 9.713 -9.817 7.886 1.00 0.98 H new ATOM 1536 N VAL A 139 7.517 -7.692 8.087 1.00 0.42 N ATOM 1537 CA VAL A 139 7.019 -6.365 7.630 1.00 0.36 C ATOM 1538 C VAL A 139 8.180 -5.557 7.049 1.00 0.32 C ATOM 1539 O VAL A 139 9.163 -5.298 7.715 1.00 0.40 O ATOM 1540 CB VAL A 139 6.416 -5.608 8.815 1.00 0.32 C ATOM 1541 CG1 VAL A 139 5.962 -4.222 8.355 1.00 0.36 C ATOM 1542 CG2 VAL A 139 5.213 -6.383 9.356 1.00 0.36 C ATOM 0 H VAL A 139 7.331 -7.913 9.065 1.00 0.42 H new ATOM 0 HA VAL A 139 6.256 -6.509 6.865 1.00 0.36 H new ATOM 0 HB VAL A 139 7.165 -5.505 9.600 1.00 0.32 H new ATOM 0 HG11 VAL A 139 5.532 -3.681 9.198 1.00 0.36 H new ATOM 0 HG12 VAL A 139 6.818 -3.669 7.968 1.00 0.36 H new ATOM 0 HG13 VAL A 139 5.212 -4.326 7.571 1.00 0.36 H new ATOM 0 HG21 VAL A 139 4.783 -5.844 10.200 1.00 0.36 H new ATOM 0 HG22 VAL A 139 4.464 -6.486 8.571 1.00 0.36 H new ATOM 0 HG23 VAL A 139 5.534 -7.372 9.682 1.00 0.36 H new ATOM 1552 N ASN A 140 8.076 -5.156 5.812 1.00 0.38 N ATOM 1553 CA ASN A 140 9.175 -4.364 5.191 1.00 0.35 C ATOM 1554 C ASN A 140 8.579 -3.207 4.387 1.00 0.33 C ATOM 1555 O ASN A 140 7.412 -3.210 4.049 1.00 0.34 O ATOM 1556 CB ASN A 140 9.991 -5.265 4.260 1.00 0.40 C ATOM 1557 CG ASN A 140 11.405 -5.431 4.818 1.00 0.80 C ATOM 1558 OD1 ASN A 140 11.581 -5.682 5.994 1.00 1.53 O ATOM 1559 ND2 ASN A 140 12.429 -5.302 4.019 1.00 1.21 N ATOM 0 H ASN A 140 7.278 -5.342 5.205 1.00 0.38 H new ATOM 0 HA ASN A 140 9.823 -3.967 5.973 1.00 0.35 H new ATOM 0 HB2 ASN A 140 9.510 -6.238 4.165 1.00 0.40 H new ATOM 0 HB3 ASN A 140 10.032 -4.831 3.261 1.00 0.40 H new ATOM 0 HD21 ASN A 140 13.376 -5.412 4.382 1.00 1.21 H new ATOM 0 HD22 ASN A 140 12.282 -5.091 3.032 1.00 1.21 H new ATOM 1566 N TRP A 141 9.371 -2.217 4.078 1.00 0.34 N ATOM 1567 CA TRP A 141 8.850 -1.060 3.296 1.00 0.34 C ATOM 1568 C TRP A 141 8.211 -1.567 2.001 1.00 0.35 C ATOM 1569 O TRP A 141 7.105 -1.199 1.658 1.00 0.38 O ATOM 1570 CB TRP A 141 10.004 -0.114 2.958 1.00 0.35 C ATOM 1571 CG TRP A 141 10.513 0.522 4.212 1.00 0.35 C ATOM 1572 CD1 TRP A 141 11.777 0.410 4.682 1.00 0.37 C ATOM 1573 CD2 TRP A 141 9.797 1.363 5.161 1.00 0.38 C ATOM 1574 NE1 TRP A 141 11.881 1.129 5.859 1.00 0.41 N ATOM 1575 CE2 TRP A 141 10.687 1.734 6.196 1.00 0.42 C ATOM 1576 CE3 TRP A 141 8.473 1.835 5.224 1.00 0.42 C ATOM 1577 CZ2 TRP A 141 10.279 2.544 7.256 1.00 0.48 C ATOM 1578 CZ3 TRP A 141 8.059 2.651 6.289 1.00 0.48 C ATOM 1579 CH2 TRP A 141 8.961 3.005 7.303 1.00 0.51 C ATOM 0 H TRP A 141 10.357 -2.159 4.333 1.00 0.34 H new ATOM 0 HA TRP A 141 8.104 -0.528 3.886 1.00 0.34 H new ATOM 0 HB2 TRP A 141 10.806 -0.664 2.465 1.00 0.35 H new ATOM 0 HB3 TRP A 141 9.667 0.652 2.260 1.00 0.35 H new ATOM 0 HD1 TRP A 141 12.574 -0.149 4.215 1.00 0.37 H new ATOM 0 HE1 TRP A 141 12.736 1.203 6.411 1.00 0.41 H new ATOM 0 HE3 TRP A 141 7.771 1.568 4.448 1.00 0.42 H new ATOM 0 HZ2 TRP A 141 10.977 2.813 8.035 1.00 0.48 H new ATOM 0 HZ3 TRP A 141 7.040 3.008 6.328 1.00 0.48 H new ATOM 0 HH2 TRP A 141 8.637 3.633 8.119 1.00 0.51 H new ATOM 1590 N GLY A 142 8.900 -2.408 1.280 1.00 0.37 N ATOM 1591 CA GLY A 142 8.335 -2.939 0.007 1.00 0.38 C ATOM 1592 C GLY A 142 7.045 -3.705 0.294 1.00 0.34 C ATOM 1593 O GLY A 142 6.010 -3.434 -0.282 1.00 0.38 O ATOM 0 H GLY A 142 9.831 -2.751 1.517 1.00 0.37 H new ATOM 0 HA2 GLY A 142 8.136 -2.119 -0.683 1.00 0.38 H new ATOM 0 HA3 GLY A 142 9.058 -3.595 -0.477 1.00 0.38 H new ATOM 1597 N ARG A 143 7.097 -4.658 1.179 1.00 0.30 N ATOM 1598 CA ARG A 143 5.871 -5.439 1.501 1.00 0.27 C ATOM 1599 C ARG A 143 4.751 -4.482 1.929 1.00 0.26 C ATOM 1600 O ARG A 143 3.582 -4.796 1.823 1.00 0.28 O ATOM 1601 CB ARG A 143 6.173 -6.415 2.642 1.00 0.27 C ATOM 1602 CG ARG A 143 7.298 -7.366 2.226 1.00 0.50 C ATOM 1603 CD ARG A 143 6.726 -8.487 1.357 1.00 1.05 C ATOM 1604 NE ARG A 143 7.134 -9.806 1.917 1.00 1.18 N ATOM 1605 CZ ARG A 143 8.302 -10.306 1.623 1.00 1.42 C ATOM 1606 NH1 ARG A 143 8.442 -11.061 0.567 1.00 1.80 N ATOM 1607 NH2 ARG A 143 9.331 -10.051 2.384 1.00 1.98 N ATOM 0 H ARG A 143 7.934 -4.931 1.694 1.00 0.30 H new ATOM 0 HA ARG A 143 5.554 -5.997 0.620 1.00 0.27 H new ATOM 0 HB2 ARG A 143 6.462 -5.864 3.537 1.00 0.27 H new ATOM 0 HB3 ARG A 143 5.278 -6.984 2.893 1.00 0.27 H new ATOM 0 HG2 ARG A 143 8.064 -6.820 1.676 1.00 0.50 H new ATOM 0 HG3 ARG A 143 7.778 -7.786 3.110 1.00 0.50 H new ATOM 0 HD2 ARG A 143 5.639 -8.415 1.321 1.00 1.05 H new ATOM 0 HD3 ARG A 143 7.086 -8.388 0.333 1.00 1.05 H new ATOM 0 HE ARG A 143 6.500 -10.318 2.530 1.00 1.18 H new ATOM 0 HH11 ARG A 143 7.638 -11.260 -0.028 1.00 1.80 H new ATOM 0 HH12 ARG A 143 9.356 -11.452 0.337 1.00 1.80 H new ATOM 0 HH21 ARG A 143 9.222 -9.461 3.209 1.00 1.98 H new ATOM 0 HH22 ARG A 143 10.245 -10.442 2.154 1.00 1.98 H new ATOM 1621 N ILE A 144 5.098 -3.318 2.416 1.00 0.25 N ATOM 1622 CA ILE A 144 4.054 -2.347 2.852 1.00 0.27 C ATOM 1623 C ILE A 144 3.610 -1.479 1.670 1.00 0.29 C ATOM 1624 O ILE A 144 2.521 -0.941 1.664 1.00 0.31 O ATOM 1625 CB ILE A 144 4.628 -1.450 3.948 1.00 0.29 C ATOM 1626 CG1 ILE A 144 4.663 -2.222 5.268 1.00 0.33 C ATOM 1627 CG2 ILE A 144 3.747 -0.209 4.105 1.00 0.29 C ATOM 1628 CD1 ILE A 144 5.494 -1.447 6.291 1.00 0.39 C ATOM 0 H ILE A 144 6.060 -2.999 2.530 1.00 0.25 H new ATOM 0 HA ILE A 144 3.193 -2.897 3.232 1.00 0.27 H new ATOM 0 HB ILE A 144 5.639 -1.145 3.678 1.00 0.29 H new ATOM 0 HG12 ILE A 144 3.650 -2.368 5.643 1.00 0.33 H new ATOM 0 HG13 ILE A 144 5.091 -3.212 5.111 1.00 0.33 H new ATOM 0 HG21 ILE A 144 4.156 0.431 4.887 1.00 0.29 H new ATOM 0 HG22 ILE A 144 3.720 0.340 3.164 1.00 0.29 H new ATOM 0 HG23 ILE A 144 2.736 -0.513 4.377 1.00 0.29 H new ATOM 0 HD11 ILE A 144 5.519 -1.997 7.232 1.00 0.39 H new ATOM 0 HD12 ILE A 144 6.510 -1.324 5.916 1.00 0.39 H new ATOM 0 HD13 ILE A 144 5.046 -0.467 6.456 1.00 0.39 H new ATOM 1640 N VAL A 145 4.436 -1.334 0.670 1.00 0.32 N ATOM 1641 CA VAL A 145 4.043 -0.498 -0.498 1.00 0.37 C ATOM 1642 C VAL A 145 3.231 -1.349 -1.467 1.00 0.34 C ATOM 1643 O VAL A 145 2.237 -0.916 -2.022 1.00 0.33 O ATOM 1644 CB VAL A 145 5.298 0.015 -1.206 1.00 0.47 C ATOM 1645 CG1 VAL A 145 4.974 0.309 -2.673 1.00 0.70 C ATOM 1646 CG2 VAL A 145 5.776 1.296 -0.526 1.00 0.88 C ATOM 0 H VAL A 145 5.362 -1.757 0.612 1.00 0.32 H new ATOM 0 HA VAL A 145 3.447 0.349 -0.158 1.00 0.37 H new ATOM 0 HB VAL A 145 6.081 -0.742 -1.151 1.00 0.47 H new ATOM 0 HG11 VAL A 145 5.869 0.675 -3.177 1.00 0.70 H new ATOM 0 HG12 VAL A 145 4.631 -0.604 -3.160 1.00 0.70 H new ATOM 0 HG13 VAL A 145 4.192 1.066 -2.728 1.00 0.70 H new ATOM 0 HG21 VAL A 145 6.670 1.663 -1.029 1.00 0.88 H new ATOM 0 HG22 VAL A 145 4.992 2.052 -0.582 1.00 0.88 H new ATOM 0 HG23 VAL A 145 6.007 1.089 0.519 1.00 0.88 H new ATOM 1656 N ALA A 146 3.654 -2.561 -1.672 1.00 0.34 N ATOM 1657 CA ALA A 146 2.928 -3.458 -2.602 1.00 0.33 C ATOM 1658 C ALA A 146 1.536 -3.762 -2.051 1.00 0.29 C ATOM 1659 O ALA A 146 0.547 -3.621 -2.743 1.00 0.32 O ATOM 1660 CB ALA A 146 3.709 -4.754 -2.748 1.00 0.32 C ATOM 0 H ALA A 146 4.478 -2.970 -1.231 1.00 0.34 H new ATOM 0 HA ALA A 146 2.827 -2.972 -3.573 1.00 0.33 H new ATOM 0 HB1 ALA A 146 3.183 -5.421 -3.431 1.00 0.32 H new ATOM 0 HB2 ALA A 146 4.701 -4.538 -3.144 1.00 0.32 H new ATOM 0 HB3 ALA A 146 3.804 -5.233 -1.774 1.00 0.32 H new ATOM 1666 N PHE A 147 1.453 -4.179 -0.813 1.00 0.27 N ATOM 1667 CA PHE A 147 0.121 -4.490 -0.219 1.00 0.27 C ATOM 1668 C PHE A 147 -0.803 -3.289 -0.426 1.00 0.32 C ATOM 1669 O PHE A 147 -1.996 -3.427 -0.609 1.00 0.35 O ATOM 1670 CB PHE A 147 0.271 -4.753 1.280 1.00 0.27 C ATOM 1671 CG PHE A 147 -0.651 -3.828 2.039 1.00 0.34 C ATOM 1672 CD1 PHE A 147 -1.970 -4.218 2.302 1.00 0.99 C ATOM 1673 CD2 PHE A 147 -0.190 -2.581 2.475 1.00 0.91 C ATOM 1674 CE1 PHE A 147 -2.828 -3.359 3.001 1.00 1.06 C ATOM 1675 CE2 PHE A 147 -1.047 -1.723 3.175 1.00 1.00 C ATOM 1676 CZ PHE A 147 -2.366 -2.112 3.437 1.00 0.66 C ATOM 0 H PHE A 147 2.249 -4.317 -0.190 1.00 0.27 H new ATOM 0 HA PHE A 147 -0.296 -5.375 -0.700 1.00 0.27 H new ATOM 0 HB2 PHE A 147 0.030 -5.792 1.505 1.00 0.27 H new ATOM 0 HB3 PHE A 147 1.304 -4.591 1.589 1.00 0.27 H new ATOM 0 HD1 PHE A 147 -2.326 -5.181 1.966 1.00 0.99 H new ATOM 0 HD2 PHE A 147 0.827 -2.280 2.272 1.00 0.91 H new ATOM 0 HE1 PHE A 147 -3.846 -3.659 3.203 1.00 1.06 H new ATOM 0 HE2 PHE A 147 -0.690 -0.761 3.513 1.00 1.00 H new ATOM 0 HZ PHE A 147 -3.027 -1.450 3.976 1.00 0.66 H new ATOM 1686 N PHE A 148 -0.247 -2.108 -0.402 1.00 0.37 N ATOM 1687 CA PHE A 148 -1.067 -0.883 -0.600 1.00 0.46 C ATOM 1688 C PHE A 148 -1.718 -0.933 -1.982 1.00 0.40 C ATOM 1689 O PHE A 148 -2.925 -0.944 -2.114 1.00 0.41 O ATOM 1690 CB PHE A 148 -0.157 0.344 -0.522 1.00 0.56 C ATOM 1691 CG PHE A 148 -0.495 1.167 0.697 1.00 0.67 C ATOM 1692 CD1 PHE A 148 -1.820 1.543 0.948 1.00 1.40 C ATOM 1693 CD2 PHE A 148 0.523 1.564 1.572 1.00 1.30 C ATOM 1694 CE1 PHE A 148 -2.126 2.314 2.075 1.00 1.56 C ATOM 1695 CE2 PHE A 148 0.217 2.333 2.699 1.00 1.45 C ATOM 1696 CZ PHE A 148 -1.107 2.709 2.951 1.00 1.15 C ATOM 0 H PHE A 148 0.748 -1.940 -0.252 1.00 0.37 H new ATOM 0 HA PHE A 148 -1.837 -0.825 0.170 1.00 0.46 H new ATOM 0 HB2 PHE A 148 0.886 0.030 -0.480 1.00 0.56 H new ATOM 0 HB3 PHE A 148 -0.272 0.949 -1.421 1.00 0.56 H new ATOM 0 HD1 PHE A 148 -2.605 1.238 0.272 1.00 1.40 H new ATOM 0 HD2 PHE A 148 1.545 1.276 1.376 1.00 1.30 H new ATOM 0 HE1 PHE A 148 -3.148 2.604 2.269 1.00 1.56 H new ATOM 0 HE2 PHE A 148 1.003 2.637 3.375 1.00 1.45 H new ATOM 0 HZ PHE A 148 -1.343 3.304 3.821 1.00 1.15 H new ATOM 1706 N SER A 149 -0.920 -0.962 -3.015 1.00 0.38 N ATOM 1707 CA SER A 149 -1.482 -1.009 -4.395 1.00 0.37 C ATOM 1708 C SER A 149 -2.336 -2.269 -4.562 1.00 0.36 C ATOM 1709 O SER A 149 -3.307 -2.278 -5.293 1.00 0.37 O ATOM 1710 CB SER A 149 -0.338 -1.032 -5.409 1.00 0.41 C ATOM 1711 OG SER A 149 -0.546 -0.010 -6.375 1.00 1.21 O ATOM 0 H SER A 149 0.099 -0.955 -2.962 1.00 0.38 H new ATOM 0 HA SER A 149 -2.102 -0.128 -4.563 1.00 0.37 H new ATOM 0 HB2 SER A 149 0.615 -0.881 -4.903 1.00 0.41 H new ATOM 0 HB3 SER A 149 -0.289 -2.005 -5.897 1.00 0.41 H new ATOM 0 HG SER A 149 -0.904 0.789 -5.934 1.00 1.21 H new ATOM 1717 N PHE A 150 -1.985 -3.332 -3.892 1.00 0.35 N ATOM 1718 CA PHE A 150 -2.779 -4.587 -4.016 1.00 0.35 C ATOM 1719 C PHE A 150 -4.229 -4.319 -3.608 1.00 0.34 C ATOM 1720 O PHE A 150 -5.157 -4.799 -4.229 1.00 0.29 O ATOM 1721 CB PHE A 150 -2.184 -5.661 -3.103 1.00 0.38 C ATOM 1722 CG PHE A 150 -3.029 -6.911 -3.179 1.00 0.34 C ATOM 1723 CD1 PHE A 150 -3.447 -7.399 -4.423 1.00 1.11 C ATOM 1724 CD2 PHE A 150 -3.395 -7.581 -2.006 1.00 1.18 C ATOM 1725 CE1 PHE A 150 -4.230 -8.557 -4.494 1.00 1.12 C ATOM 1726 CE2 PHE A 150 -4.179 -8.739 -2.077 1.00 1.21 C ATOM 1727 CZ PHE A 150 -4.596 -9.227 -3.321 1.00 0.45 C ATOM 0 H PHE A 150 -1.183 -3.386 -3.264 1.00 0.35 H new ATOM 0 HA PHE A 150 -2.751 -4.931 -5.050 1.00 0.35 H new ATOM 0 HB2 PHE A 150 -1.160 -5.883 -3.404 1.00 0.38 H new ATOM 0 HB3 PHE A 150 -2.143 -5.299 -2.076 1.00 0.38 H new ATOM 0 HD1 PHE A 150 -3.165 -6.882 -5.328 1.00 1.11 H new ATOM 0 HD2 PHE A 150 -3.073 -7.205 -1.046 1.00 1.18 H new ATOM 0 HE1 PHE A 150 -4.552 -8.933 -5.454 1.00 1.12 H new ATOM 0 HE2 PHE A 150 -4.462 -9.256 -1.172 1.00 1.21 H new ATOM 0 HZ PHE A 150 -5.200 -10.121 -3.376 1.00 0.45 H new ATOM 1737 N GLY A 151 -4.433 -3.559 -2.568 1.00 0.44 N ATOM 1738 CA GLY A 151 -5.824 -3.264 -2.122 1.00 0.45 C ATOM 1739 C GLY A 151 -6.463 -2.246 -3.068 1.00 0.45 C ATOM 1740 O GLY A 151 -7.537 -2.462 -3.593 1.00 0.44 O ATOM 0 H GLY A 151 -3.697 -3.129 -2.008 1.00 0.44 H new ATOM 0 HA2 GLY A 151 -6.413 -4.181 -2.107 1.00 0.45 H new ATOM 0 HA3 GLY A 151 -5.815 -2.874 -1.104 1.00 0.45 H new ATOM 1744 N GLY A 152 -5.811 -1.137 -3.290 1.00 0.47 N ATOM 1745 CA GLY A 152 -6.381 -0.105 -4.201 1.00 0.49 C ATOM 1746 C GLY A 152 -6.712 -0.736 -5.555 1.00 0.47 C ATOM 1747 O GLY A 152 -7.627 -0.319 -6.237 1.00 0.49 O ATOM 0 H GLY A 152 -4.908 -0.901 -2.879 1.00 0.47 H new ATOM 0 HA2 GLY A 152 -7.280 0.326 -3.760 1.00 0.49 H new ATOM 0 HA3 GLY A 152 -5.669 0.710 -4.333 1.00 0.49 H new ATOM 1751 N ALA A 153 -5.977 -1.740 -5.951 1.00 0.48 N ATOM 1752 CA ALA A 153 -6.254 -2.393 -7.262 1.00 0.49 C ATOM 1753 C ALA A 153 -7.483 -3.296 -7.132 1.00 0.45 C ATOM 1754 O ALA A 153 -8.309 -3.367 -8.020 1.00 0.46 O ATOM 1755 CB ALA A 153 -5.047 -3.235 -7.680 1.00 0.56 C ATOM 0 H ALA A 153 -5.198 -2.135 -5.424 1.00 0.48 H new ATOM 0 HA ALA A 153 -6.441 -1.628 -8.015 1.00 0.49 H new ATOM 0 HB1 ALA A 153 -5.251 -3.712 -8.639 1.00 0.56 H new ATOM 0 HB2 ALA A 153 -4.171 -2.594 -7.773 1.00 0.56 H new ATOM 0 HB3 ALA A 153 -4.859 -4.000 -6.927 1.00 0.56 H new ATOM 1761 N LEU A 154 -7.610 -3.987 -6.032 1.00 0.44 N ATOM 1762 CA LEU A 154 -8.786 -4.884 -5.848 1.00 0.44 C ATOM 1763 C LEU A 154 -10.074 -4.062 -5.935 1.00 0.40 C ATOM 1764 O LEU A 154 -11.104 -4.548 -6.358 1.00 0.41 O ATOM 1765 CB LEU A 154 -8.703 -5.558 -4.477 1.00 0.48 C ATOM 1766 CG LEU A 154 -9.269 -6.976 -4.569 1.00 0.65 C ATOM 1767 CD1 LEU A 154 -8.247 -7.891 -5.245 1.00 1.23 C ATOM 1768 CD2 LEU A 154 -9.565 -7.496 -3.161 1.00 1.25 C ATOM 0 H LEU A 154 -6.951 -3.969 -5.254 1.00 0.44 H new ATOM 0 HA LEU A 154 -8.788 -5.645 -6.628 1.00 0.44 H new ATOM 0 HB2 LEU A 154 -7.668 -5.590 -4.138 1.00 0.48 H new ATOM 0 HB3 LEU A 154 -9.262 -4.979 -3.741 1.00 0.48 H new ATOM 0 HG LEU A 154 -10.188 -6.964 -5.155 1.00 0.65 H new ATOM 0 HD11 LEU A 154 -8.651 -8.901 -5.310 1.00 1.23 H new ATOM 0 HD12 LEU A 154 -8.033 -7.520 -6.247 1.00 1.23 H new ATOM 0 HD13 LEU A 154 -7.328 -7.905 -4.660 1.00 1.23 H new ATOM 0 HD21 LEU A 154 -9.969 -8.507 -3.224 1.00 1.25 H new ATOM 0 HD22 LEU A 154 -8.645 -7.508 -2.577 1.00 1.25 H new ATOM 0 HD23 LEU A 154 -10.293 -6.844 -2.678 1.00 1.25 H new ATOM 1780 N CYS A 155 -10.024 -2.820 -5.538 1.00 0.40 N ATOM 1781 CA CYS A 155 -11.246 -1.970 -5.598 1.00 0.41 C ATOM 1782 C CYS A 155 -11.408 -1.410 -7.012 1.00 0.35 C ATOM 1783 O CYS A 155 -12.496 -1.368 -7.552 1.00 0.37 O ATOM 1784 CB CYS A 155 -11.114 -0.815 -4.604 1.00 0.43 C ATOM 1785 SG CYS A 155 -10.305 -1.406 -3.096 1.00 1.69 S ATOM 0 H CYS A 155 -9.190 -2.358 -5.175 1.00 0.40 H new ATOM 0 HA CYS A 155 -12.119 -2.571 -5.342 1.00 0.41 H new ATOM 0 HB2 CYS A 155 -10.535 -0.005 -5.047 1.00 0.43 H new ATOM 0 HB3 CYS A 155 -12.098 -0.411 -4.367 1.00 0.43 H new ATOM 0 HG CYS A 155 -9.057 -1.670 -3.348 1.00 1.69 H new ATOM 1791 N VAL A 156 -10.335 -0.979 -7.617 1.00 0.39 N ATOM 1792 CA VAL A 156 -10.428 -0.422 -8.996 1.00 0.38 C ATOM 1793 C VAL A 156 -11.108 -1.440 -9.915 1.00 0.43 C ATOM 1794 O VAL A 156 -11.769 -1.084 -10.871 1.00 0.50 O ATOM 1795 CB VAL A 156 -9.023 -0.123 -9.522 1.00 0.41 C ATOM 1796 CG1 VAL A 156 -9.038 -0.137 -11.051 1.00 0.58 C ATOM 1797 CG2 VAL A 156 -8.578 1.256 -9.029 1.00 0.51 C ATOM 0 H VAL A 156 -9.397 -0.989 -7.215 1.00 0.39 H new ATOM 0 HA VAL A 156 -11.013 0.497 -8.976 1.00 0.38 H new ATOM 0 HB VAL A 156 -8.329 -0.881 -9.159 1.00 0.41 H new ATOM 0 HG11 VAL A 156 -8.037 0.076 -11.427 1.00 0.58 H new ATOM 0 HG12 VAL A 156 -9.356 -1.118 -11.403 1.00 0.58 H new ATOM 0 HG13 VAL A 156 -9.731 0.621 -11.415 1.00 0.58 H new ATOM 0 HG21 VAL A 156 -7.577 1.470 -9.403 1.00 0.51 H new ATOM 0 HG22 VAL A 156 -9.272 2.014 -9.393 1.00 0.51 H new ATOM 0 HG23 VAL A 156 -8.568 1.267 -7.939 1.00 0.51 H new ATOM 1807 N GLU A 157 -10.950 -2.705 -9.635 1.00 0.44 N ATOM 1808 CA GLU A 157 -11.585 -3.745 -10.493 1.00 0.52 C ATOM 1809 C GLU A 157 -13.055 -3.910 -10.098 1.00 0.56 C ATOM 1810 O GLU A 157 -13.940 -3.844 -10.927 1.00 0.62 O ATOM 1811 CB GLU A 157 -10.855 -5.077 -10.304 1.00 0.61 C ATOM 1812 CG GLU A 157 -9.819 -5.254 -11.417 1.00 1.20 C ATOM 1813 CD GLU A 157 -10.117 -6.539 -12.191 1.00 1.47 C ATOM 1814 OE1 GLU A 157 -10.930 -6.486 -13.098 1.00 1.82 O ATOM 1815 OE2 GLU A 157 -9.526 -7.555 -11.863 1.00 2.09 O ATOM 0 H GLU A 157 -10.408 -3.063 -8.849 1.00 0.44 H new ATOM 0 HA GLU A 157 -11.523 -3.439 -11.537 1.00 0.52 H new ATOM 0 HB2 GLU A 157 -10.366 -5.101 -9.330 1.00 0.61 H new ATOM 0 HB3 GLU A 157 -11.569 -5.901 -10.322 1.00 0.61 H new ATOM 0 HG2 GLU A 157 -9.843 -4.397 -12.090 1.00 1.20 H new ATOM 0 HG3 GLU A 157 -8.816 -5.297 -10.992 1.00 1.20 H new ATOM 1822 N SER A 158 -13.320 -4.125 -8.838 1.00 0.60 N ATOM 1823 CA SER A 158 -14.732 -4.295 -8.390 1.00 0.67 C ATOM 1824 C SER A 158 -15.560 -3.092 -8.848 1.00 0.58 C ATOM 1825 O SER A 158 -16.712 -3.221 -9.212 1.00 0.71 O ATOM 1826 CB SER A 158 -14.774 -4.390 -6.865 1.00 0.75 C ATOM 1827 OG SER A 158 -15.809 -5.284 -6.478 1.00 1.36 O ATOM 0 H SER A 158 -12.620 -4.190 -8.099 1.00 0.60 H new ATOM 0 HA SER A 158 -15.144 -5.207 -8.823 1.00 0.67 H new ATOM 0 HB2 SER A 158 -13.814 -4.740 -6.484 1.00 0.75 H new ATOM 0 HB3 SER A 158 -14.948 -3.405 -6.433 1.00 0.75 H new ATOM 0 HG SER A 158 -15.837 -5.348 -5.501 1.00 1.36 H new ATOM 1833 N VAL A 159 -14.981 -1.924 -8.832 1.00 0.41 N ATOM 1834 CA VAL A 159 -15.732 -0.713 -9.265 1.00 0.35 C ATOM 1835 C VAL A 159 -15.738 -0.631 -10.795 1.00 0.34 C ATOM 1836 O VAL A 159 -16.641 -0.080 -11.392 1.00 0.38 O ATOM 1837 CB VAL A 159 -15.060 0.535 -8.690 1.00 0.33 C ATOM 1838 CG1 VAL A 159 -15.921 1.764 -8.988 1.00 0.32 C ATOM 1839 CG2 VAL A 159 -14.906 0.379 -7.175 1.00 0.42 C ATOM 0 H VAL A 159 -14.019 -1.756 -8.537 1.00 0.41 H new ATOM 0 HA VAL A 159 -16.758 -0.774 -8.903 1.00 0.35 H new ATOM 0 HB VAL A 159 -14.078 0.660 -9.146 1.00 0.33 H new ATOM 0 HG11 VAL A 159 -15.441 2.653 -8.578 1.00 0.32 H new ATOM 0 HG12 VAL A 159 -16.033 1.877 -10.066 1.00 0.32 H new ATOM 0 HG13 VAL A 159 -16.903 1.639 -8.532 1.00 0.32 H new ATOM 0 HG21 VAL A 159 -14.427 1.268 -6.765 1.00 0.42 H new ATOM 0 HG22 VAL A 159 -15.889 0.253 -6.720 1.00 0.42 H new ATOM 0 HG23 VAL A 159 -14.292 -0.496 -6.960 1.00 0.42 H new ATOM 1849 N ASP A 160 -14.736 -1.173 -11.434 1.00 0.37 N ATOM 1850 CA ASP A 160 -14.687 -1.123 -12.923 1.00 0.48 C ATOM 1851 C ASP A 160 -15.925 -1.812 -13.502 1.00 0.62 C ATOM 1852 O ASP A 160 -16.512 -1.351 -14.461 1.00 0.72 O ATOM 1853 CB ASP A 160 -13.429 -1.839 -13.418 1.00 0.48 C ATOM 1854 CG ASP A 160 -13.322 -1.694 -14.937 1.00 0.56 C ATOM 1855 OD1 ASP A 160 -13.061 -0.592 -15.390 1.00 1.26 O ATOM 1856 OD2 ASP A 160 -13.502 -2.688 -15.621 1.00 1.17 O ATOM 0 H ASP A 160 -13.950 -1.648 -10.989 1.00 0.37 H new ATOM 0 HA ASP A 160 -14.666 -0.083 -13.248 1.00 0.48 H new ATOM 0 HB2 ASP A 160 -12.546 -1.417 -12.939 1.00 0.48 H new ATOM 0 HB3 ASP A 160 -13.467 -2.894 -13.145 1.00 0.48 H new ATOM 1861 N LYS A 161 -16.327 -2.914 -12.929 1.00 0.71 N ATOM 1862 CA LYS A 161 -17.527 -3.628 -13.451 1.00 0.88 C ATOM 1863 C LYS A 161 -18.790 -2.858 -13.059 1.00 0.92 C ATOM 1864 O LYS A 161 -19.388 -2.177 -13.868 1.00 1.51 O ATOM 1865 CB LYS A 161 -17.581 -5.038 -12.858 1.00 0.94 C ATOM 1866 CG LYS A 161 -17.550 -6.071 -13.987 1.00 1.34 C ATOM 1867 CD LYS A 161 -16.688 -7.262 -13.566 1.00 1.87 C ATOM 1868 CE LYS A 161 -17.094 -8.497 -14.373 1.00 1.95 C ATOM 1869 NZ LYS A 161 -17.277 -9.654 -13.452 1.00 2.63 N ATOM 0 H LYS A 161 -15.877 -3.350 -12.124 1.00 0.71 H new ATOM 0 HA LYS A 161 -17.466 -3.695 -14.537 1.00 0.88 H new ATOM 0 HB2 LYS A 161 -16.737 -5.193 -12.186 1.00 0.94 H new ATOM 0 HB3 LYS A 161 -18.487 -5.160 -12.265 1.00 0.94 H new ATOM 0 HG2 LYS A 161 -18.562 -6.404 -14.217 1.00 1.34 H new ATOM 0 HG3 LYS A 161 -17.149 -5.621 -14.895 1.00 1.34 H new ATOM 0 HD2 LYS A 161 -15.634 -7.038 -13.730 1.00 1.87 H new ATOM 0 HD3 LYS A 161 -16.811 -7.455 -12.500 1.00 1.87 H new ATOM 0 HE2 LYS A 161 -18.018 -8.302 -14.917 1.00 1.95 H new ATOM 0 HE3 LYS A 161 -16.330 -8.727 -15.116 1.00 1.95 H new ATOM 0 HZ1 LYS A 161 -17.553 -10.494 -14.000 1.00 2.63 H new ATOM 0 HZ2 LYS A 161 -16.385 -9.844 -12.952 1.00 2.63 H new ATOM 0 HZ3 LYS A 161 -18.021 -9.432 -12.760 1.00 2.63 H new ATOM 1883 N GLU A 162 -19.199 -2.960 -11.824 1.00 1.05 N ATOM 1884 CA GLU A 162 -20.423 -2.233 -11.381 1.00 1.11 C ATOM 1885 C GLU A 162 -20.652 -2.484 -9.890 1.00 1.02 C ATOM 1886 O GLU A 162 -21.771 -2.623 -9.438 1.00 1.19 O ATOM 1887 CB GLU A 162 -21.632 -2.736 -12.173 1.00 1.38 C ATOM 1888 CG GLU A 162 -22.643 -1.599 -12.338 1.00 2.30 C ATOM 1889 CD GLU A 162 -23.783 -2.057 -13.250 1.00 2.73 C ATOM 1890 OE1 GLU A 162 -24.681 -2.717 -12.755 1.00 3.63 O ATOM 1891 OE2 GLU A 162 -23.739 -1.738 -14.427 1.00 2.53 O ATOM 0 H GLU A 162 -18.739 -3.515 -11.103 1.00 1.05 H new ATOM 0 HA GLU A 162 -20.294 -1.165 -11.556 1.00 1.11 H new ATOM 0 HB2 GLU A 162 -21.314 -3.099 -13.150 1.00 1.38 H new ATOM 0 HB3 GLU A 162 -22.095 -3.576 -11.656 1.00 1.38 H new ATOM 0 HG2 GLU A 162 -23.037 -1.305 -11.365 1.00 2.30 H new ATOM 0 HG3 GLU A 162 -22.154 -0.722 -12.762 1.00 2.30 H new ATOM 1898 N MET A 163 -19.599 -2.545 -9.121 1.00 0.82 N ATOM 1899 CA MET A 163 -19.757 -2.788 -7.660 1.00 0.84 C ATOM 1900 C MET A 163 -19.061 -1.672 -6.878 1.00 0.84 C ATOM 1901 O MET A 163 -17.947 -1.825 -6.418 1.00 1.50 O ATOM 1902 CB MET A 163 -19.127 -4.135 -7.296 1.00 0.92 C ATOM 1903 CG MET A 163 -20.051 -5.269 -7.744 1.00 1.06 C ATOM 1904 SD MET A 163 -19.230 -6.244 -9.028 1.00 1.50 S ATOM 1905 CE MET A 163 -19.711 -7.878 -8.415 1.00 1.82 C ATOM 0 H MET A 163 -18.637 -2.437 -9.442 1.00 0.82 H new ATOM 0 HA MET A 163 -20.817 -2.802 -7.407 1.00 0.84 H new ATOM 0 HB2 MET A 163 -18.153 -4.234 -7.776 1.00 0.92 H new ATOM 0 HB3 MET A 163 -18.960 -4.191 -6.220 1.00 0.92 H new ATOM 0 HG2 MET A 163 -20.303 -5.904 -6.895 1.00 1.06 H new ATOM 0 HG3 MET A 163 -20.987 -4.861 -8.125 1.00 1.06 H new ATOM 0 HE1 MET A 163 -19.303 -8.647 -9.071 1.00 1.82 H new ATOM 0 HE2 MET A 163 -19.322 -8.017 -7.406 1.00 1.82 H new ATOM 0 HE3 MET A 163 -20.798 -7.955 -8.398 1.00 1.82 H new ATOM 1915 N GLN A 164 -19.709 -0.550 -6.724 1.00 0.45 N ATOM 1916 CA GLN A 164 -19.084 0.574 -5.970 1.00 0.40 C ATOM 1917 C GLN A 164 -19.617 0.584 -4.536 1.00 0.54 C ATOM 1918 O GLN A 164 -19.712 1.618 -3.906 1.00 0.99 O ATOM 1919 CB GLN A 164 -19.429 1.900 -6.651 1.00 0.47 C ATOM 1920 CG GLN A 164 -19.095 1.814 -8.142 1.00 0.59 C ATOM 1921 CD GLN A 164 -20.343 2.141 -8.964 1.00 0.86 C ATOM 1922 OE1 GLN A 164 -21.054 1.253 -9.391 1.00 1.53 O ATOM 1923 NE2 GLN A 164 -20.641 3.389 -9.206 1.00 1.48 N ATOM 0 H GLN A 164 -20.644 -0.363 -7.087 1.00 0.45 H new ATOM 0 HA GLN A 164 -18.002 0.444 -5.955 1.00 0.40 H new ATOM 0 HB2 GLN A 164 -20.487 2.124 -6.518 1.00 0.47 H new ATOM 0 HB3 GLN A 164 -18.870 2.714 -6.189 1.00 0.47 H new ATOM 0 HG2 GLN A 164 -18.293 2.510 -8.387 1.00 0.59 H new ATOM 0 HG3 GLN A 164 -18.736 0.815 -8.388 1.00 0.59 H new ATOM 0 HE21 GLN A 164 -20.044 4.135 -8.848 1.00 1.48 H new ATOM 0 HE22 GLN A 164 -21.471 3.618 -9.753 1.00 1.48 H new ATOM 1932 N VAL A 165 -19.967 -0.561 -4.016 1.00 0.59 N ATOM 1933 CA VAL A 165 -20.493 -0.618 -2.624 1.00 0.71 C ATOM 1934 C VAL A 165 -19.480 -1.326 -1.722 1.00 0.60 C ATOM 1935 O VAL A 165 -19.420 -1.085 -0.532 1.00 0.92 O ATOM 1936 CB VAL A 165 -21.813 -1.390 -2.610 1.00 0.94 C ATOM 1937 CG1 VAL A 165 -22.035 -2.000 -1.225 1.00 1.09 C ATOM 1938 CG2 VAL A 165 -22.964 -0.436 -2.936 1.00 1.74 C ATOM 0 H VAL A 165 -19.911 -1.459 -4.496 1.00 0.59 H new ATOM 0 HA VAL A 165 -20.659 0.395 -2.258 1.00 0.71 H new ATOM 0 HB VAL A 165 -21.776 -2.185 -3.355 1.00 0.94 H new ATOM 0 HG11 VAL A 165 -22.976 -2.550 -1.216 1.00 1.09 H new ATOM 0 HG12 VAL A 165 -21.215 -2.679 -0.991 1.00 1.09 H new ATOM 0 HG13 VAL A 165 -22.072 -1.206 -0.479 1.00 1.09 H new ATOM 0 HG21 VAL A 165 -23.906 -0.985 -2.926 1.00 1.74 H new ATOM 0 HG22 VAL A 165 -23.000 0.359 -2.191 1.00 1.74 H new ATOM 0 HG23 VAL A 165 -22.808 -0.001 -3.923 1.00 1.74 H new ATOM 1948 N LEU A 166 -18.682 -2.200 -2.275 1.00 0.36 N ATOM 1949 CA LEU A 166 -17.677 -2.920 -1.442 1.00 0.31 C ATOM 1950 C LEU A 166 -16.343 -2.161 -1.443 1.00 0.26 C ATOM 1951 O LEU A 166 -15.319 -2.702 -1.077 1.00 0.35 O ATOM 1952 CB LEU A 166 -17.460 -4.323 -2.011 1.00 0.48 C ATOM 1953 CG LEU A 166 -18.796 -5.064 -2.070 1.00 0.91 C ATOM 1954 CD1 LEU A 166 -18.861 -5.899 -3.351 1.00 1.17 C ATOM 1955 CD2 LEU A 166 -18.918 -5.985 -0.854 1.00 1.44 C ATOM 0 H LEU A 166 -18.683 -2.446 -3.265 1.00 0.36 H new ATOM 0 HA LEU A 166 -18.047 -2.986 -0.419 1.00 0.31 H new ATOM 0 HB2 LEU A 166 -17.024 -4.259 -3.008 1.00 0.48 H new ATOM 0 HB3 LEU A 166 -16.754 -4.874 -1.389 1.00 0.48 H new ATOM 0 HG LEU A 166 -19.614 -4.343 -2.066 1.00 0.91 H new ATOM 0 HD11 LEU A 166 -19.813 -6.427 -3.393 1.00 1.17 H new ATOM 0 HD12 LEU A 166 -18.771 -5.244 -4.217 1.00 1.17 H new ATOM 0 HD13 LEU A 166 -18.045 -6.622 -3.356 1.00 1.17 H new ATOM 0 HD21 LEU A 166 -19.870 -6.515 -0.893 1.00 1.44 H new ATOM 0 HD22 LEU A 166 -18.101 -6.706 -0.860 1.00 1.44 H new ATOM 0 HD23 LEU A 166 -18.871 -5.391 0.059 1.00 1.44 H new ATOM 1967 N VAL A 167 -16.337 -0.916 -1.846 1.00 0.27 N ATOM 1968 CA VAL A 167 -15.059 -0.151 -1.856 1.00 0.24 C ATOM 1969 C VAL A 167 -14.683 0.219 -0.420 1.00 0.24 C ATOM 1970 O VAL A 167 -13.540 0.115 -0.021 1.00 0.28 O ATOM 1971 CB VAL A 167 -15.231 1.122 -2.687 1.00 0.31 C ATOM 1972 CG1 VAL A 167 -13.999 2.015 -2.524 1.00 0.38 C ATOM 1973 CG2 VAL A 167 -15.393 0.748 -4.162 1.00 0.38 C ATOM 0 H VAL A 167 -17.157 -0.401 -2.166 1.00 0.27 H new ATOM 0 HA VAL A 167 -14.269 -0.761 -2.294 1.00 0.24 H new ATOM 0 HB VAL A 167 -16.115 1.659 -2.345 1.00 0.31 H new ATOM 0 HG11 VAL A 167 -14.125 2.921 -3.117 1.00 0.38 H new ATOM 0 HG12 VAL A 167 -13.880 2.283 -1.474 1.00 0.38 H new ATOM 0 HG13 VAL A 167 -13.113 1.479 -2.864 1.00 0.38 H new ATOM 0 HG21 VAL A 167 -15.516 1.654 -4.756 1.00 0.38 H new ATOM 0 HG22 VAL A 167 -14.508 0.210 -4.500 1.00 0.38 H new ATOM 0 HG23 VAL A 167 -16.271 0.114 -4.282 1.00 0.38 H new ATOM 1983 N SER A 168 -15.636 0.650 0.360 1.00 0.33 N ATOM 1984 CA SER A 168 -15.331 1.024 1.769 1.00 0.38 C ATOM 1985 C SER A 168 -14.975 -0.235 2.561 1.00 0.37 C ATOM 1986 O SER A 168 -14.189 -0.196 3.487 1.00 0.40 O ATOM 1987 CB SER A 168 -16.555 1.693 2.397 1.00 0.46 C ATOM 1988 OG SER A 168 -16.135 2.529 3.467 1.00 1.09 O ATOM 0 H SER A 168 -16.611 0.759 0.083 1.00 0.33 H new ATOM 0 HA SER A 168 -14.490 1.718 1.788 1.00 0.38 H new ATOM 0 HB2 SER A 168 -17.087 2.280 1.649 1.00 0.46 H new ATOM 0 HB3 SER A 168 -17.250 0.937 2.762 1.00 0.46 H new ATOM 0 HG SER A 168 -16.917 2.961 3.871 1.00 1.09 H new ATOM 1994 N ARG A 169 -15.546 -1.353 2.203 1.00 0.36 N ATOM 1995 CA ARG A 169 -15.238 -2.614 2.935 1.00 0.40 C ATOM 1996 C ARG A 169 -13.765 -2.972 2.731 1.00 0.36 C ATOM 1997 O ARG A 169 -13.032 -3.190 3.675 1.00 0.35 O ATOM 1998 CB ARG A 169 -16.118 -3.744 2.397 1.00 0.43 C ATOM 1999 CG ARG A 169 -17.543 -3.582 2.931 1.00 0.81 C ATOM 2000 CD ARG A 169 -18.079 -4.943 3.378 1.00 0.97 C ATOM 2001 NE ARG A 169 -19.033 -4.755 4.507 1.00 1.46 N ATOM 2002 CZ ARG A 169 -20.218 -5.300 4.457 1.00 1.65 C ATOM 2003 NH1 ARG A 169 -20.358 -6.579 4.673 1.00 2.07 N ATOM 2004 NH2 ARG A 169 -21.264 -4.565 4.191 1.00 2.22 N ATOM 0 H ARG A 169 -16.212 -1.447 1.436 1.00 0.36 H new ATOM 0 HA ARG A 169 -15.435 -2.476 3.998 1.00 0.40 H new ATOM 0 HB2 ARG A 169 -16.123 -3.727 1.307 1.00 0.43 H new ATOM 0 HB3 ARG A 169 -15.713 -4.710 2.699 1.00 0.43 H new ATOM 0 HG2 ARG A 169 -17.552 -2.883 3.768 1.00 0.81 H new ATOM 0 HG3 ARG A 169 -18.187 -3.162 2.158 1.00 0.81 H new ATOM 0 HD2 ARG A 169 -18.577 -5.441 2.546 1.00 0.97 H new ATOM 0 HD3 ARG A 169 -17.255 -5.586 3.687 1.00 0.97 H new ATOM 0 HE ARG A 169 -18.760 -4.201 5.319 1.00 1.46 H new ATOM 0 HH11 ARG A 169 -19.541 -7.153 4.881 1.00 2.07 H new ATOM 0 HH12 ARG A 169 -21.284 -7.004 4.634 1.00 2.07 H new ATOM 0 HH21 ARG A 169 -21.155 -3.565 4.022 1.00 2.22 H new ATOM 0 HH22 ARG A 169 -22.190 -4.991 4.152 1.00 2.22 H new ATOM 2018 N ILE A 170 -13.325 -3.033 1.503 1.00 0.39 N ATOM 2019 CA ILE A 170 -11.899 -3.376 1.240 1.00 0.39 C ATOM 2020 C ILE A 170 -11.001 -2.267 1.790 1.00 0.36 C ATOM 2021 O ILE A 170 -10.053 -2.520 2.506 1.00 0.36 O ATOM 2022 CB ILE A 170 -11.677 -3.512 -0.267 1.00 0.43 C ATOM 2023 CG1 ILE A 170 -12.442 -4.731 -0.786 1.00 0.47 C ATOM 2024 CG2 ILE A 170 -10.184 -3.691 -0.548 1.00 0.49 C ATOM 2025 CD1 ILE A 170 -12.853 -4.496 -2.241 1.00 0.51 C ATOM 0 H ILE A 170 -13.891 -2.860 0.672 1.00 0.39 H new ATOM 0 HA ILE A 170 -11.654 -4.319 1.729 1.00 0.39 H new ATOM 0 HB ILE A 170 -12.037 -2.615 -0.770 1.00 0.43 H new ATOM 0 HG12 ILE A 170 -11.819 -5.622 -0.713 1.00 0.47 H new ATOM 0 HG13 ILE A 170 -13.325 -4.908 -0.172 1.00 0.47 H new ATOM 0 HG21 ILE A 170 -10.025 -3.788 -1.622 1.00 0.49 H new ATOM 0 HG22 ILE A 170 -9.637 -2.824 -0.177 1.00 0.49 H new ATOM 0 HG23 ILE A 170 -9.824 -4.589 -0.045 1.00 0.49 H new ATOM 0 HD11 ILE A 170 -13.398 -5.365 -2.610 1.00 0.51 H new ATOM 0 HD12 ILE A 170 -13.492 -3.615 -2.301 1.00 0.51 H new ATOM 0 HD13 ILE A 170 -11.962 -4.341 -2.850 1.00 0.51 H new ATOM 2037 N ALA A 171 -11.292 -1.038 1.461 1.00 0.37 N ATOM 2038 CA ALA A 171 -10.455 0.086 1.966 1.00 0.38 C ATOM 2039 C ALA A 171 -10.420 0.045 3.495 1.00 0.36 C ATOM 2040 O ALA A 171 -9.455 0.447 4.114 1.00 0.36 O ATOM 2041 CB ALA A 171 -11.055 1.416 1.505 1.00 0.41 C ATOM 0 H ALA A 171 -12.073 -0.764 0.865 1.00 0.37 H new ATOM 0 HA ALA A 171 -9.442 -0.010 1.575 1.00 0.38 H new ATOM 0 HB1 ALA A 171 -10.443 2.239 1.874 1.00 0.41 H new ATOM 0 HB2 ALA A 171 -11.082 1.445 0.416 1.00 0.41 H new ATOM 0 HB3 ALA A 171 -12.068 1.513 1.896 1.00 0.41 H new ATOM 2047 N ALA A 172 -11.465 -0.438 4.109 1.00 0.37 N ATOM 2048 CA ALA A 172 -11.491 -0.506 5.597 1.00 0.37 C ATOM 2049 C ALA A 172 -10.564 -1.626 6.073 1.00 0.37 C ATOM 2050 O ALA A 172 -9.821 -1.468 7.021 1.00 0.39 O ATOM 2051 CB ALA A 172 -12.919 -0.789 6.070 1.00 0.40 C ATOM 0 H ALA A 172 -12.302 -0.789 3.644 1.00 0.37 H new ATOM 0 HA ALA A 172 -11.153 0.445 6.010 1.00 0.37 H new ATOM 0 HB1 ALA A 172 -12.939 -0.839 7.159 1.00 0.40 H new ATOM 0 HB2 ALA A 172 -13.579 0.009 5.731 1.00 0.40 H new ATOM 0 HB3 ALA A 172 -13.257 -1.739 5.657 1.00 0.40 H new ATOM 2057 N TRP A 173 -10.601 -2.757 5.422 1.00 0.37 N ATOM 2058 CA TRP A 173 -9.720 -3.884 5.840 1.00 0.39 C ATOM 2059 C TRP A 173 -8.266 -3.410 5.863 1.00 0.38 C ATOM 2060 O TRP A 173 -7.549 -3.623 6.820 1.00 0.45 O ATOM 2061 CB TRP A 173 -9.864 -5.041 4.848 1.00 0.43 C ATOM 2062 CG TRP A 173 -11.307 -5.405 4.712 1.00 0.43 C ATOM 2063 CD1 TRP A 173 -12.273 -5.104 5.610 1.00 0.43 C ATOM 2064 CD2 TRP A 173 -11.964 -6.131 3.633 1.00 0.48 C ATOM 2065 NE1 TRP A 173 -13.480 -5.598 5.151 1.00 0.50 N ATOM 2066 CE2 TRP A 173 -13.342 -6.239 3.936 1.00 0.52 C ATOM 2067 CE3 TRP A 173 -11.503 -6.701 2.432 1.00 0.53 C ATOM 2068 CZ2 TRP A 173 -14.231 -6.889 3.079 1.00 0.60 C ATOM 2069 CZ3 TRP A 173 -12.395 -7.355 1.567 1.00 0.59 C ATOM 2070 CH2 TRP A 173 -13.756 -7.449 1.890 1.00 0.62 C ATOM 0 H TRP A 173 -11.202 -2.949 4.620 1.00 0.37 H new ATOM 0 HA TRP A 173 -10.009 -4.222 6.835 1.00 0.39 H new ATOM 0 HB2 TRP A 173 -9.457 -4.755 3.878 1.00 0.43 H new ATOM 0 HB3 TRP A 173 -9.292 -5.902 5.192 1.00 0.43 H new ATOM 0 HD1 TRP A 173 -12.125 -4.566 6.535 1.00 0.43 H new ATOM 0 HE1 TRP A 173 -14.365 -5.501 5.649 1.00 0.50 H new ATOM 0 HE3 TRP A 173 -10.456 -6.635 2.174 1.00 0.53 H new ATOM 0 HZ2 TRP A 173 -15.278 -6.959 3.333 1.00 0.60 H new ATOM 0 HZ3 TRP A 173 -12.030 -7.788 0.647 1.00 0.59 H new ATOM 0 HH2 TRP A 173 -14.437 -7.954 1.221 1.00 0.62 H new ATOM 2081 N MET A 174 -7.825 -2.768 4.816 1.00 0.39 N ATOM 2082 CA MET A 174 -6.418 -2.280 4.779 1.00 0.41 C ATOM 2083 C MET A 174 -6.252 -1.129 5.772 1.00 0.37 C ATOM 2084 O MET A 174 -5.193 -0.928 6.333 1.00 0.37 O ATOM 2085 CB MET A 174 -6.086 -1.788 3.369 1.00 0.49 C ATOM 2086 CG MET A 174 -6.503 -2.847 2.347 1.00 0.61 C ATOM 2087 SD MET A 174 -5.106 -3.218 1.258 1.00 1.12 S ATOM 2088 CE MET A 174 -4.778 -1.520 0.725 1.00 0.46 C ATOM 0 H MET A 174 -8.378 -2.560 3.985 1.00 0.39 H new ATOM 0 HA MET A 174 -5.744 -3.093 5.048 1.00 0.41 H new ATOM 0 HB2 MET A 174 -6.604 -0.850 3.168 1.00 0.49 H new ATOM 0 HB3 MET A 174 -5.018 -1.587 3.285 1.00 0.49 H new ATOM 0 HG2 MET A 174 -6.830 -3.752 2.858 1.00 0.61 H new ATOM 0 HG3 MET A 174 -7.349 -2.489 1.761 1.00 0.61 H new ATOM 0 HE1 MET A 174 -3.996 -1.522 -0.034 1.00 0.46 H new ATOM 0 HE2 MET A 174 -5.687 -1.088 0.308 1.00 0.46 H new ATOM 0 HE3 MET A 174 -4.453 -0.927 1.580 1.00 0.46 H new ATOM 2098 N ALA A 175 -7.291 -0.372 5.995 1.00 0.39 N ATOM 2099 CA ALA A 175 -7.192 0.764 6.952 1.00 0.40 C ATOM 2100 C ALA A 175 -6.876 0.227 8.350 1.00 0.36 C ATOM 2101 O ALA A 175 -6.077 0.785 9.075 1.00 0.42 O ATOM 2102 CB ALA A 175 -8.522 1.520 6.985 1.00 0.43 C ATOM 0 H ALA A 175 -8.204 -0.492 5.556 1.00 0.39 H new ATOM 0 HA ALA A 175 -6.398 1.439 6.634 1.00 0.40 H new ATOM 0 HB1 ALA A 175 -8.450 2.352 7.686 1.00 0.43 H new ATOM 0 HB2 ALA A 175 -8.748 1.902 5.990 1.00 0.43 H new ATOM 0 HB3 ALA A 175 -9.316 0.845 7.303 1.00 0.43 H new ATOM 2108 N THR A 176 -7.498 -0.855 8.733 1.00 0.33 N ATOM 2109 CA THR A 176 -7.235 -1.429 10.083 1.00 0.32 C ATOM 2110 C THR A 176 -5.851 -2.082 10.099 1.00 0.29 C ATOM 2111 O THR A 176 -5.091 -1.927 11.035 1.00 0.34 O ATOM 2112 CB THR A 176 -8.300 -2.479 10.407 1.00 0.36 C ATOM 2113 OG1 THR A 176 -9.590 -1.914 10.223 1.00 0.96 O ATOM 2114 CG2 THR A 176 -8.143 -2.938 11.858 1.00 0.94 C ATOM 0 H THR A 176 -8.177 -1.366 8.169 1.00 0.33 H new ATOM 0 HA THR A 176 -7.270 -0.635 10.829 1.00 0.32 H new ATOM 0 HB THR A 176 -8.180 -3.336 9.744 1.00 0.36 H new ATOM 0 HG1 THR A 176 -9.778 -1.834 9.265 1.00 0.96 H new ATOM 0 HG21 THR A 176 -8.902 -3.686 12.087 1.00 0.94 H new ATOM 0 HG22 THR A 176 -7.153 -3.372 11.997 1.00 0.94 H new ATOM 0 HG23 THR A 176 -8.262 -2.084 12.525 1.00 0.94 H new ATOM 2122 N TYR A 177 -5.518 -2.812 9.068 1.00 0.36 N ATOM 2123 CA TYR A 177 -4.184 -3.476 9.023 1.00 0.41 C ATOM 2124 C TYR A 177 -3.089 -2.429 9.233 1.00 0.37 C ATOM 2125 O TYR A 177 -2.048 -2.709 9.793 1.00 0.50 O ATOM 2126 CB TYR A 177 -3.995 -4.147 7.662 1.00 0.52 C ATOM 2127 CG TYR A 177 -2.902 -5.184 7.759 1.00 0.58 C ATOM 2128 CD1 TYR A 177 -1.559 -4.787 7.759 1.00 1.28 C ATOM 2129 CD2 TYR A 177 -3.231 -6.542 7.850 1.00 1.44 C ATOM 2130 CE1 TYR A 177 -0.545 -5.748 7.850 1.00 1.31 C ATOM 2131 CE2 TYR A 177 -2.217 -7.503 7.941 1.00 1.57 C ATOM 2132 CZ TYR A 177 -0.874 -7.106 7.941 1.00 0.90 C ATOM 2133 OH TYR A 177 0.125 -8.054 8.031 1.00 1.10 O ATOM 0 H TYR A 177 -6.112 -2.977 8.256 1.00 0.36 H new ATOM 0 HA TYR A 177 -4.124 -4.228 9.809 1.00 0.41 H new ATOM 0 HB2 TYR A 177 -4.927 -4.614 7.342 1.00 0.52 H new ATOM 0 HB3 TYR A 177 -3.738 -3.401 6.910 1.00 0.52 H new ATOM 0 HD1 TYR A 177 -1.306 -3.740 7.689 1.00 1.28 H new ATOM 0 HD2 TYR A 177 -4.267 -6.848 7.850 1.00 1.44 H new ATOM 0 HE1 TYR A 177 0.491 -5.442 7.850 1.00 1.31 H new ATOM 0 HE2 TYR A 177 -2.470 -8.550 8.011 1.00 1.57 H new ATOM 0 HH TYR A 177 -0.275 -8.947 8.088 1.00 1.10 H new ATOM 2143 N LEU A 178 -3.315 -1.224 8.789 1.00 0.29 N ATOM 2144 CA LEU A 178 -2.288 -0.159 8.964 1.00 0.34 C ATOM 2145 C LEU A 178 -2.561 0.609 10.261 1.00 0.37 C ATOM 2146 O LEU A 178 -1.665 1.166 10.864 1.00 0.43 O ATOM 2147 CB LEU A 178 -2.348 0.807 7.778 1.00 0.43 C ATOM 2148 CG LEU A 178 -0.972 0.886 7.113 1.00 0.85 C ATOM 2149 CD1 LEU A 178 -0.950 -0.012 5.876 1.00 1.38 C ATOM 2150 CD2 LEU A 178 -0.691 2.332 6.696 1.00 1.57 C ATOM 0 H LEU A 178 -4.167 -0.930 8.312 1.00 0.29 H new ATOM 0 HA LEU A 178 -1.299 -0.614 9.014 1.00 0.34 H new ATOM 0 HB2 LEU A 178 -3.093 0.469 7.058 1.00 0.43 H new ATOM 0 HB3 LEU A 178 -2.657 1.796 8.116 1.00 0.43 H new ATOM 0 HG LEU A 178 -0.209 0.554 7.817 1.00 0.85 H new ATOM 0 HD11 LEU A 178 0.030 0.045 5.403 1.00 1.38 H new ATOM 0 HD12 LEU A 178 -1.152 -1.042 6.170 1.00 1.38 H new ATOM 0 HD13 LEU A 178 -1.713 0.320 5.172 1.00 1.38 H new ATOM 0 HD21 LEU A 178 0.289 2.390 6.222 1.00 1.57 H new ATOM 0 HD22 LEU A 178 -1.455 2.663 5.992 1.00 1.57 H new ATOM 0 HD23 LEU A 178 -0.707 2.974 7.577 1.00 1.57 H new ATOM 2162 N ASN A 179 -3.793 0.647 10.695 1.00 0.35 N ATOM 2163 CA ASN A 179 -4.121 1.379 11.950 1.00 0.42 C ATOM 2164 C ASN A 179 -3.273 0.838 13.103 1.00 0.36 C ATOM 2165 O ASN A 179 -2.577 1.576 13.771 1.00 0.55 O ATOM 2166 CB ASN A 179 -5.604 1.188 12.275 1.00 0.53 C ATOM 2167 CG ASN A 179 -6.044 2.244 13.290 1.00 0.63 C ATOM 2168 OD1 ASN A 179 -5.276 3.114 13.651 1.00 1.45 O ATOM 2169 ND2 ASN A 179 -7.257 2.205 13.769 1.00 1.05 N ATOM 0 H ASN A 179 -4.586 0.202 10.233 1.00 0.35 H new ATOM 0 HA ASN A 179 -3.908 2.439 11.815 1.00 0.42 H new ATOM 0 HB2 ASN A 179 -6.200 1.271 11.366 1.00 0.53 H new ATOM 0 HB3 ASN A 179 -5.773 0.189 12.677 1.00 0.53 H new ATOM 0 HD21 ASN A 179 -7.561 2.905 14.446 1.00 1.05 H new ATOM 0 HD22 ASN A 179 -7.902 1.475 13.466 1.00 1.05 H new ATOM 2176 N ASP A 180 -3.327 -0.443 13.345 1.00 0.40 N ATOM 2177 CA ASP A 180 -2.522 -1.022 14.460 1.00 0.42 C ATOM 2178 C ASP A 180 -1.926 -2.375 14.050 1.00 0.42 C ATOM 2179 O ASP A 180 -1.434 -3.114 14.879 1.00 0.85 O ATOM 2180 CB ASP A 180 -3.424 -1.223 15.676 1.00 0.61 C ATOM 2181 CG ASP A 180 -3.017 -0.249 16.784 1.00 1.08 C ATOM 2182 OD1 ASP A 180 -2.662 0.872 16.459 1.00 1.78 O ATOM 2183 OD2 ASP A 180 -3.067 -0.641 17.938 1.00 1.81 O ATOM 0 H ASP A 180 -3.891 -1.112 12.822 1.00 0.40 H new ATOM 0 HA ASP A 180 -1.709 -0.336 14.699 1.00 0.42 H new ATOM 0 HB2 ASP A 180 -4.466 -1.060 15.399 1.00 0.61 H new ATOM 0 HB3 ASP A 180 -3.346 -2.250 16.034 1.00 0.61 H new ATOM 2188 N HIS A 181 -1.961 -2.712 12.788 1.00 0.77 N ATOM 2189 CA HIS A 181 -1.391 -4.020 12.356 1.00 0.75 C ATOM 2190 C HIS A 181 -0.165 -3.781 11.471 1.00 0.80 C ATOM 2191 O HIS A 181 0.158 -4.582 10.616 1.00 1.36 O ATOM 2192 CB HIS A 181 -2.445 -4.799 11.568 1.00 0.74 C ATOM 2193 CG HIS A 181 -2.545 -6.197 12.111 1.00 0.76 C ATOM 2194 ND1 HIS A 181 -3.764 -6.813 12.347 1.00 1.50 N ATOM 2195 CD2 HIS A 181 -1.587 -7.112 12.471 1.00 1.21 C ATOM 2196 CE1 HIS A 181 -3.510 -8.044 12.827 1.00 1.42 C ATOM 2197 NE2 HIS A 181 -2.198 -8.278 12.923 1.00 1.20 N ATOM 0 H HIS A 181 -2.358 -2.141 12.042 1.00 0.77 H new ATOM 0 HA HIS A 181 -1.095 -4.593 13.235 1.00 0.75 H new ATOM 0 HB2 HIS A 181 -3.411 -4.299 11.640 1.00 0.74 H new ATOM 0 HB3 HIS A 181 -2.178 -4.826 10.511 1.00 0.74 H new ATOM 0 HD2 HIS A 181 -0.521 -6.951 12.412 1.00 1.21 H new ATOM 0 HE1 HIS A 181 -4.274 -8.756 13.101 1.00 1.42 H new ATOM 0 HE2 HIS A 181 -1.742 -9.128 13.256 1.00 1.20 H new ATOM 2205 N LEU A 182 0.523 -2.688 11.669 1.00 0.36 N ATOM 2206 CA LEU A 182 1.729 -2.405 10.837 1.00 0.35 C ATOM 2207 C LEU A 182 2.402 -1.116 11.314 1.00 0.35 C ATOM 2208 O LEU A 182 3.613 -1.009 11.310 1.00 0.34 O ATOM 2209 CB LEU A 182 1.323 -2.245 9.373 1.00 0.38 C ATOM 2210 CG LEU A 182 2.581 -2.079 8.521 1.00 0.36 C ATOM 2211 CD1 LEU A 182 2.854 -3.377 7.762 1.00 0.36 C ATOM 2212 CD2 LEU A 182 2.376 -0.936 7.526 1.00 0.36 C ATOM 0 H LEU A 182 0.303 -1.980 12.370 1.00 0.36 H new ATOM 0 HA LEU A 182 2.426 -3.237 10.935 1.00 0.35 H new ATOM 0 HB2 LEU A 182 0.757 -3.116 9.042 1.00 0.38 H new ATOM 0 HB3 LEU A 182 0.672 -1.379 9.256 1.00 0.38 H new ATOM 0 HG LEU A 182 3.430 -1.849 9.165 1.00 0.36 H new ATOM 0 HD11 LEU A 182 3.751 -3.261 7.154 1.00 0.36 H new ATOM 0 HD12 LEU A 182 3.000 -4.190 8.473 1.00 0.36 H new ATOM 0 HD13 LEU A 182 2.006 -3.607 7.117 1.00 0.36 H new ATOM 0 HD21 LEU A 182 3.273 -0.817 6.918 1.00 0.36 H new ATOM 0 HD22 LEU A 182 1.528 -1.163 6.880 1.00 0.36 H new ATOM 0 HD23 LEU A 182 2.181 -0.011 8.069 1.00 0.36 H new ATOM 2224 N GLU A 183 1.627 -0.139 11.718 1.00 0.37 N ATOM 2225 CA GLU A 183 2.212 1.151 12.196 1.00 0.39 C ATOM 2226 C GLU A 183 3.363 0.893 13.187 1.00 0.38 C ATOM 2227 O GLU A 183 4.440 1.425 13.007 1.00 0.39 O ATOM 2228 CB GLU A 183 1.120 1.992 12.867 1.00 0.43 C ATOM 2229 CG GLU A 183 1.681 2.672 14.119 1.00 0.60 C ATOM 2230 CD GLU A 183 0.678 3.709 14.629 1.00 1.19 C ATOM 2231 OE1 GLU A 183 -0.337 3.893 13.978 1.00 1.46 O ATOM 2232 OE2 GLU A 183 0.943 4.302 15.661 1.00 1.95 O ATOM 0 H GLU A 183 0.608 -0.181 11.737 1.00 0.37 H new ATOM 0 HA GLU A 183 2.613 1.693 11.340 1.00 0.39 H new ATOM 0 HB2 GLU A 183 0.748 2.743 12.170 1.00 0.43 H new ATOM 0 HB3 GLU A 183 0.274 1.359 13.135 1.00 0.43 H new ATOM 0 HG2 GLU A 183 1.877 1.929 14.892 1.00 0.60 H new ATOM 0 HG3 GLU A 183 2.632 3.152 13.890 1.00 0.60 H new ATOM 2239 N PRO A 184 3.121 0.087 14.200 1.00 0.37 N ATOM 2240 CA PRO A 184 4.143 -0.237 15.202 1.00 0.38 C ATOM 2241 C PRO A 184 5.455 -0.628 14.513 1.00 0.36 C ATOM 2242 O PRO A 184 6.526 -0.451 15.059 1.00 0.39 O ATOM 2243 CB PRO A 184 3.590 -1.413 15.998 1.00 0.40 C ATOM 2244 CG PRO A 184 2.060 -1.247 15.836 1.00 0.39 C ATOM 2245 CD PRO A 184 1.820 -0.580 14.459 1.00 0.37 C ATOM 0 HA PRO A 184 4.358 0.615 15.847 1.00 0.38 H new ATOM 0 HB2 PRO A 184 3.937 -2.368 15.603 1.00 0.40 H new ATOM 0 HB3 PRO A 184 3.893 -1.372 17.044 1.00 0.40 H new ATOM 0 HG2 PRO A 184 1.560 -2.214 15.889 1.00 0.39 H new ATOM 0 HG3 PRO A 184 1.652 -0.633 16.638 1.00 0.39 H new ATOM 0 HD2 PRO A 184 1.578 -1.312 13.689 1.00 0.37 H new ATOM 0 HD3 PRO A 184 0.996 0.133 14.491 1.00 0.37 H new ATOM 2253 N TRP A 185 5.387 -1.156 13.317 1.00 0.34 N ATOM 2254 CA TRP A 185 6.640 -1.548 12.613 1.00 0.32 C ATOM 2255 C TRP A 185 7.107 -0.392 11.726 1.00 0.30 C ATOM 2256 O TRP A 185 8.288 -0.189 11.525 1.00 0.29 O ATOM 2257 CB TRP A 185 6.383 -2.783 11.747 1.00 0.34 C ATOM 2258 CG TRP A 185 7.686 -3.293 11.219 1.00 0.34 C ATOM 2259 CD1 TRP A 185 8.365 -4.352 11.716 1.00 0.41 C ATOM 2260 CD2 TRP A 185 8.478 -2.784 10.107 1.00 0.30 C ATOM 2261 NE1 TRP A 185 9.523 -4.526 10.980 1.00 0.43 N ATOM 2262 CE2 TRP A 185 9.638 -3.584 9.976 1.00 0.36 C ATOM 2263 CE3 TRP A 185 8.304 -1.717 9.208 1.00 0.26 C ATOM 2264 CZ2 TRP A 185 10.592 -3.334 8.989 1.00 0.37 C ATOM 2265 CZ3 TRP A 185 9.262 -1.462 8.213 1.00 0.26 C ATOM 2266 CH2 TRP A 185 10.404 -2.269 8.104 1.00 0.31 C ATOM 0 H TRP A 185 4.524 -1.331 12.803 1.00 0.34 H new ATOM 0 HA TRP A 185 7.410 -1.779 13.349 1.00 0.32 H new ATOM 0 HB2 TRP A 185 5.887 -3.556 12.333 1.00 0.34 H new ATOM 0 HB3 TRP A 185 5.716 -2.531 10.922 1.00 0.34 H new ATOM 0 HD1 TRP A 185 8.054 -4.962 12.551 1.00 0.41 H new ATOM 0 HE1 TRP A 185 10.209 -5.260 11.157 1.00 0.43 H new ATOM 0 HE3 TRP A 185 7.428 -1.090 9.283 1.00 0.26 H new ATOM 0 HZ2 TRP A 185 11.469 -3.959 8.910 1.00 0.37 H new ATOM 0 HZ3 TRP A 185 9.118 -0.640 7.528 1.00 0.26 H new ATOM 0 HH2 TRP A 185 11.137 -2.068 7.337 1.00 0.31 H new ATOM 2277 N ILE A 186 6.190 0.369 11.194 1.00 0.31 N ATOM 2278 CA ILE A 186 6.584 1.511 10.322 1.00 0.30 C ATOM 2279 C ILE A 186 7.502 2.455 11.102 1.00 0.31 C ATOM 2280 O ILE A 186 8.345 3.124 10.537 1.00 0.32 O ATOM 2281 CB ILE A 186 5.332 2.269 9.877 1.00 0.31 C ATOM 2282 CG1 ILE A 186 4.359 1.296 9.207 1.00 0.32 C ATOM 2283 CG2 ILE A 186 5.720 3.363 8.882 1.00 0.40 C ATOM 2284 CD1 ILE A 186 3.469 2.062 8.226 1.00 0.34 C ATOM 0 H ILE A 186 5.186 0.249 11.326 1.00 0.31 H new ATOM 0 HA ILE A 186 7.111 1.134 9.445 1.00 0.30 H new ATOM 0 HB ILE A 186 4.856 2.722 10.747 1.00 0.31 H new ATOM 0 HG12 ILE A 186 4.911 0.516 8.682 1.00 0.32 H new ATOM 0 HG13 ILE A 186 3.746 0.801 9.960 1.00 0.32 H new ATOM 0 HG21 ILE A 186 4.826 3.901 8.567 1.00 0.40 H new ATOM 0 HG22 ILE A 186 6.413 4.057 9.357 1.00 0.40 H new ATOM 0 HG23 ILE A 186 6.197 2.911 8.012 1.00 0.40 H new ATOM 0 HD11 ILE A 186 2.775 1.370 7.748 1.00 0.34 H new ATOM 0 HD12 ILE A 186 2.907 2.825 8.764 1.00 0.34 H new ATOM 0 HD13 ILE A 186 4.090 2.537 7.466 1.00 0.34 H new ATOM 2296 N GLN A 187 7.345 2.517 12.397 1.00 0.35 N ATOM 2297 CA GLN A 187 8.209 3.420 13.209 1.00 0.37 C ATOM 2298 C GLN A 187 9.444 2.653 13.685 1.00 0.38 C ATOM 2299 O GLN A 187 10.517 3.206 13.818 1.00 0.42 O ATOM 2300 CB GLN A 187 7.422 3.922 14.421 1.00 0.41 C ATOM 2301 CG GLN A 187 5.970 4.182 14.015 1.00 1.18 C ATOM 2302 CD GLN A 187 5.277 5.012 15.097 1.00 1.80 C ATOM 2303 OE1 GLN A 187 5.900 5.422 16.056 1.00 2.33 O ATOM 2304 NE2 GLN A 187 4.005 5.279 14.983 1.00 2.45 N ATOM 0 H GLN A 187 6.657 1.982 12.927 1.00 0.35 H new ATOM 0 HA GLN A 187 8.521 4.269 12.601 1.00 0.37 H new ATOM 0 HB2 GLN A 187 7.460 3.185 15.223 1.00 0.41 H new ATOM 0 HB3 GLN A 187 7.872 4.837 14.807 1.00 0.41 H new ATOM 0 HG2 GLN A 187 5.937 4.709 13.061 1.00 1.18 H new ATOM 0 HG3 GLN A 187 5.446 3.237 13.876 1.00 1.18 H new ATOM 0 HE21 GLN A 187 3.482 4.935 14.178 1.00 2.45 H new ATOM 0 HE22 GLN A 187 3.534 5.832 15.699 1.00 2.45 H new ATOM 2313 N GLU A 188 9.302 1.382 13.945 1.00 0.36 N ATOM 2314 CA GLU A 188 10.469 0.582 14.412 1.00 0.38 C ATOM 2315 C GLU A 188 11.580 0.637 13.362 1.00 0.36 C ATOM 2316 O GLU A 188 12.752 0.608 13.683 1.00 0.38 O ATOM 2317 CB GLU A 188 10.039 -0.871 14.623 1.00 0.40 C ATOM 2318 CG GLU A 188 9.580 -1.064 16.070 1.00 0.48 C ATOM 2319 CD GLU A 188 10.734 -1.629 16.901 1.00 1.03 C ATOM 2320 OE1 GLU A 188 11.871 -1.315 16.590 1.00 1.54 O ATOM 2321 OE2 GLU A 188 10.460 -2.366 17.834 1.00 1.80 O ATOM 0 H GLU A 188 8.428 0.863 13.854 1.00 0.36 H new ATOM 0 HA GLU A 188 10.838 0.993 15.352 1.00 0.38 H new ATOM 0 HB2 GLU A 188 9.231 -1.125 13.937 1.00 0.40 H new ATOM 0 HB3 GLU A 188 10.868 -1.542 14.401 1.00 0.40 H new ATOM 0 HG2 GLU A 188 9.249 -0.113 16.487 1.00 0.48 H new ATOM 0 HG3 GLU A 188 8.727 -1.742 16.105 1.00 0.48 H new ATOM 2328 N ASN A 189 11.223 0.715 12.110 1.00 0.32 N ATOM 2329 CA ASN A 189 12.260 0.772 11.041 1.00 0.31 C ATOM 2330 C ASN A 189 12.775 2.206 10.904 1.00 0.30 C ATOM 2331 O ASN A 189 13.963 2.443 10.811 1.00 0.33 O ATOM 2332 CB ASN A 189 11.650 0.319 9.713 1.00 0.29 C ATOM 2333 CG ASN A 189 12.702 -0.433 8.897 1.00 0.33 C ATOM 2334 OD1 ASN A 189 13.127 0.030 7.858 1.00 0.44 O ATOM 2335 ND2 ASN A 189 13.144 -1.583 9.327 1.00 0.43 N ATOM 0 H ASN A 189 10.258 0.742 11.781 1.00 0.32 H new ATOM 0 HA ASN A 189 13.088 0.113 11.303 1.00 0.31 H new ATOM 0 HB2 ASN A 189 10.789 -0.324 9.897 1.00 0.29 H new ATOM 0 HB3 ASN A 189 11.289 1.182 9.153 1.00 0.29 H new ATOM 0 HD21 ASN A 189 13.846 -2.092 8.790 1.00 0.43 H new ATOM 0 HD22 ASN A 189 12.787 -1.972 10.200 1.00 0.43 H new ATOM 2342 N GLY A 190 11.890 3.165 10.892 1.00 0.31 N ATOM 2343 CA GLY A 190 12.330 4.583 10.761 1.00 0.30 C ATOM 2344 C GLY A 190 11.105 5.484 10.605 1.00 0.31 C ATOM 2345 O GLY A 190 10.944 6.458 11.313 1.00 0.40 O ATOM 0 H GLY A 190 10.882 3.028 10.967 1.00 0.31 H new ATOM 0 HA2 GLY A 190 12.903 4.880 11.639 1.00 0.30 H new ATOM 0 HA3 GLY A 190 12.988 4.693 9.899 1.00 0.30 H new ATOM 2349 N GLY A 191 10.238 5.168 9.682 1.00 0.26 N ATOM 2350 CA GLY A 191 9.024 6.008 9.481 1.00 0.28 C ATOM 2351 C GLY A 191 8.766 6.188 7.985 1.00 0.25 C ATOM 2352 O GLY A 191 9.623 5.934 7.162 1.00 0.22 O ATOM 0 H GLY A 191 10.318 4.365 9.059 1.00 0.26 H new ATOM 0 HA2 GLY A 191 8.162 5.538 9.955 1.00 0.28 H new ATOM 0 HA3 GLY A 191 9.159 6.980 9.956 1.00 0.28 H new ATOM 2356 N TRP A 192 7.589 6.624 7.626 1.00 0.28 N ATOM 2357 CA TRP A 192 7.272 6.821 6.184 1.00 0.28 C ATOM 2358 C TRP A 192 8.324 7.728 5.544 1.00 0.26 C ATOM 2359 O TRP A 192 8.694 7.553 4.402 1.00 0.29 O ATOM 2360 CB TRP A 192 5.900 7.480 6.048 1.00 0.31 C ATOM 2361 CG TRP A 192 4.829 6.444 6.156 1.00 0.35 C ATOM 2362 CD1 TRP A 192 3.951 6.341 7.179 1.00 0.42 C ATOM 2363 CD2 TRP A 192 4.506 5.369 5.228 1.00 0.33 C ATOM 2364 NE1 TRP A 192 3.109 5.270 6.939 1.00 0.44 N ATOM 2365 CE2 TRP A 192 3.411 4.639 5.749 1.00 0.39 C ATOM 2366 CE3 TRP A 192 5.051 4.960 3.998 1.00 0.28 C ATOM 2367 CZ2 TRP A 192 2.876 3.543 5.073 1.00 0.41 C ATOM 2368 CZ3 TRP A 192 4.515 3.856 3.316 1.00 0.30 C ATOM 2369 CH2 TRP A 192 3.430 3.150 3.852 1.00 0.37 C ATOM 0 H TRP A 192 6.832 6.852 8.271 1.00 0.28 H new ATOM 0 HA TRP A 192 7.269 5.853 5.684 1.00 0.28 H new ATOM 0 HB2 TRP A 192 5.770 8.234 6.825 1.00 0.31 H new ATOM 0 HB3 TRP A 192 5.826 7.994 5.090 1.00 0.31 H new ATOM 0 HD1 TRP A 192 3.913 6.989 8.042 1.00 0.42 H new ATOM 0 HE1 TRP A 192 2.357 4.982 7.565 1.00 0.44 H new ATOM 0 HE3 TRP A 192 5.887 5.498 3.575 1.00 0.28 H new ATOM 0 HZ2 TRP A 192 2.040 3.002 5.490 1.00 0.41 H new ATOM 0 HZ3 TRP A 192 4.942 3.549 2.372 1.00 0.30 H new ATOM 0 HH2 TRP A 192 3.022 2.302 3.322 1.00 0.37 H new ATOM 2380 N ASP A 193 8.804 8.700 6.272 1.00 0.29 N ATOM 2381 CA ASP A 193 9.829 9.623 5.706 1.00 0.32 C ATOM 2382 C ASP A 193 11.003 8.820 5.137 1.00 0.29 C ATOM 2383 O ASP A 193 11.704 9.276 4.259 1.00 0.36 O ATOM 2384 CB ASP A 193 10.337 10.555 6.807 1.00 0.38 C ATOM 2385 CG ASP A 193 10.282 12.003 6.315 1.00 1.12 C ATOM 2386 OD1 ASP A 193 9.291 12.362 5.701 1.00 1.93 O ATOM 2387 OD2 ASP A 193 11.232 12.728 6.561 1.00 1.77 O ATOM 0 H ASP A 193 8.530 8.895 7.235 1.00 0.29 H new ATOM 0 HA ASP A 193 9.377 10.210 4.906 1.00 0.32 H new ATOM 0 HB2 ASP A 193 9.728 10.441 7.704 1.00 0.38 H new ATOM 0 HB3 ASP A 193 11.359 10.291 7.079 1.00 0.38 H new ATOM 2392 N THR A 194 11.226 7.631 5.629 1.00 0.24 N ATOM 2393 CA THR A 194 12.360 6.812 5.111 1.00 0.25 C ATOM 2394 C THR A 194 12.028 6.284 3.712 1.00 0.21 C ATOM 2395 O THR A 194 12.706 6.585 2.750 1.00 0.22 O ATOM 2396 CB THR A 194 12.605 5.631 6.054 1.00 0.28 C ATOM 2397 OG1 THR A 194 12.151 5.968 7.358 1.00 0.80 O ATOM 2398 CG2 THR A 194 14.099 5.311 6.100 1.00 0.79 C ATOM 0 H THR A 194 10.673 7.192 6.366 1.00 0.24 H new ATOM 0 HA THR A 194 13.254 7.433 5.056 1.00 0.25 H new ATOM 0 HB THR A 194 12.061 4.758 5.692 1.00 0.28 H new ATOM 0 HG1 THR A 194 11.232 5.649 7.477 1.00 0.80 H new ATOM 0 HG21 THR A 194 14.270 4.470 6.772 1.00 0.79 H new ATOM 0 HG22 THR A 194 14.447 5.053 5.100 1.00 0.79 H new ATOM 0 HG23 THR A 194 14.647 6.182 6.461 1.00 0.79 H new ATOM 2406 N PHE A 195 10.995 5.495 3.589 1.00 0.21 N ATOM 2407 CA PHE A 195 10.632 4.949 2.249 1.00 0.21 C ATOM 2408 C PHE A 195 10.238 6.092 1.311 1.00 0.23 C ATOM 2409 O PHE A 195 10.401 6.005 0.110 1.00 0.29 O ATOM 2410 CB PHE A 195 9.454 3.982 2.390 1.00 0.21 C ATOM 2411 CG PHE A 195 8.758 3.844 1.056 1.00 0.24 C ATOM 2412 CD1 PHE A 195 9.322 3.049 0.051 1.00 1.19 C ATOM 2413 CD2 PHE A 195 7.551 4.514 0.825 1.00 1.27 C ATOM 2414 CE1 PHE A 195 8.677 2.924 -1.186 1.00 1.20 C ATOM 2415 CE2 PHE A 195 6.907 4.388 -0.411 1.00 1.28 C ATOM 2416 CZ PHE A 195 7.470 3.595 -1.415 1.00 0.34 C ATOM 0 H PHE A 195 10.388 5.205 4.356 1.00 0.21 H new ATOM 0 HA PHE A 195 11.491 4.421 1.835 1.00 0.21 H new ATOM 0 HB2 PHE A 195 9.807 3.009 2.731 1.00 0.21 H new ATOM 0 HB3 PHE A 195 8.755 4.349 3.141 1.00 0.21 H new ATOM 0 HD1 PHE A 195 10.254 2.533 0.229 1.00 1.19 H new ATOM 0 HD2 PHE A 195 7.117 5.128 1.600 1.00 1.27 H new ATOM 0 HE1 PHE A 195 9.110 2.311 -1.962 1.00 1.20 H new ATOM 0 HE2 PHE A 195 5.975 4.904 -0.589 1.00 1.28 H new ATOM 0 HZ PHE A 195 6.973 3.500 -2.369 1.00 0.34 H new ATOM 2426 N VAL A 196 9.719 7.162 1.846 1.00 0.23 N ATOM 2427 CA VAL A 196 9.313 8.306 0.982 1.00 0.27 C ATOM 2428 C VAL A 196 10.544 9.147 0.624 1.00 0.32 C ATOM 2429 O VAL A 196 10.573 9.814 -0.391 1.00 0.42 O ATOM 2430 CB VAL A 196 8.297 9.173 1.728 1.00 0.26 C ATOM 2431 CG1 VAL A 196 7.780 10.270 0.796 1.00 0.33 C ATOM 2432 CG2 VAL A 196 7.122 8.305 2.186 1.00 0.24 C ATOM 0 H VAL A 196 9.558 7.294 2.845 1.00 0.23 H new ATOM 0 HA VAL A 196 8.861 7.924 0.066 1.00 0.27 H new ATOM 0 HB VAL A 196 8.777 9.626 2.596 1.00 0.26 H new ATOM 0 HG11 VAL A 196 7.056 10.888 1.328 1.00 0.33 H new ATOM 0 HG12 VAL A 196 8.614 10.890 0.466 1.00 0.33 H new ATOM 0 HG13 VAL A 196 7.301 9.815 -0.071 1.00 0.33 H new ATOM 0 HG21 VAL A 196 6.398 8.923 2.717 1.00 0.24 H new ATOM 0 HG22 VAL A 196 6.644 7.852 1.317 1.00 0.24 H new ATOM 0 HG23 VAL A 196 7.486 7.521 2.850 1.00 0.24 H new ATOM 2442 N GLU A 197 11.559 9.123 1.444 1.00 0.31 N ATOM 2443 CA GLU A 197 12.780 9.924 1.141 1.00 0.39 C ATOM 2444 C GLU A 197 13.729 9.098 0.270 1.00 0.42 C ATOM 2445 O GLU A 197 14.480 9.630 -0.524 1.00 0.54 O ATOM 2446 CB GLU A 197 13.485 10.295 2.448 1.00 0.43 C ATOM 2447 CG GLU A 197 14.876 10.854 2.142 1.00 1.25 C ATOM 2448 CD GLU A 197 15.124 12.101 2.992 1.00 1.72 C ATOM 2449 OE1 GLU A 197 14.422 13.079 2.794 1.00 2.53 O ATOM 2450 OE2 GLU A 197 16.013 12.058 3.827 1.00 1.92 O ATOM 0 H GLU A 197 11.596 8.584 2.309 1.00 0.31 H new ATOM 0 HA GLU A 197 12.495 10.832 0.610 1.00 0.39 H new ATOM 0 HB2 GLU A 197 12.897 11.034 2.993 1.00 0.43 H new ATOM 0 HB3 GLU A 197 13.568 9.418 3.090 1.00 0.43 H new ATOM 0 HG2 GLU A 197 15.636 10.101 2.351 1.00 1.25 H new ATOM 0 HG3 GLU A 197 14.955 11.101 1.083 1.00 1.25 H new ATOM 2457 N LEU A 198 13.704 7.801 0.413 1.00 0.36 N ATOM 2458 CA LEU A 198 14.607 6.942 -0.404 1.00 0.43 C ATOM 2459 C LEU A 198 14.159 6.961 -1.868 1.00 0.53 C ATOM 2460 O LEU A 198 14.953 6.776 -2.770 1.00 0.62 O ATOM 2461 CB LEU A 198 14.559 5.508 0.125 1.00 0.42 C ATOM 2462 CG LEU A 198 15.620 5.328 1.212 1.00 0.68 C ATOM 2463 CD1 LEU A 198 14.995 4.646 2.430 1.00 1.07 C ATOM 2464 CD2 LEU A 198 16.760 4.460 0.672 1.00 1.30 C ATOM 0 H LEU A 198 13.097 7.299 1.061 1.00 0.36 H new ATOM 0 HA LEU A 198 15.626 7.324 -0.336 1.00 0.43 H new ATOM 0 HB2 LEU A 198 13.570 5.291 0.528 1.00 0.42 H new ATOM 0 HB3 LEU A 198 14.733 4.803 -0.688 1.00 0.42 H new ATOM 0 HG LEU A 198 16.010 6.303 1.503 1.00 0.68 H new ATOM 0 HD11 LEU A 198 15.752 4.518 3.204 1.00 1.07 H new ATOM 0 HD12 LEU A 198 14.183 5.262 2.815 1.00 1.07 H new ATOM 0 HD13 LEU A 198 14.604 3.671 2.140 1.00 1.07 H new ATOM 0 HD21 LEU A 198 17.517 4.331 1.446 1.00 1.30 H new ATOM 0 HD22 LEU A 198 16.369 3.485 0.381 1.00 1.30 H new ATOM 0 HD23 LEU A 198 17.207 4.945 -0.196 1.00 1.30 H new ATOM 2476 N TYR A 199 12.896 7.179 -2.116 1.00 0.60 N ATOM 2477 CA TYR A 199 12.411 7.204 -3.526 1.00 0.73 C ATOM 2478 C TYR A 199 11.486 8.405 -3.735 1.00 0.65 C ATOM 2479 O TYR A 199 11.588 9.114 -4.716 1.00 0.87 O ATOM 2480 CB TYR A 199 11.647 5.913 -3.822 1.00 0.80 C ATOM 2481 CG TYR A 199 12.369 4.748 -3.189 1.00 0.78 C ATOM 2482 CD1 TYR A 199 13.683 4.451 -3.571 1.00 1.30 C ATOM 2483 CD2 TYR A 199 11.729 3.969 -2.219 1.00 1.36 C ATOM 2484 CE1 TYR A 199 14.356 3.373 -2.984 1.00 1.30 C ATOM 2485 CE2 TYR A 199 12.402 2.891 -1.630 1.00 1.42 C ATOM 2486 CZ TYR A 199 13.716 2.594 -2.013 1.00 0.87 C ATOM 2487 OH TYR A 199 14.380 1.532 -1.433 1.00 0.98 O ATOM 0 H TYR A 199 12.181 7.340 -1.406 1.00 0.60 H new ATOM 0 HA TYR A 199 13.264 7.287 -4.200 1.00 0.73 H new ATOM 0 HB2 TYR A 199 10.631 5.981 -3.432 1.00 0.80 H new ATOM 0 HB3 TYR A 199 11.566 5.764 -4.899 1.00 0.80 H new ATOM 0 HD1 TYR A 199 14.177 5.054 -4.319 1.00 1.30 H new ATOM 0 HD2 TYR A 199 10.716 4.199 -1.924 1.00 1.36 H new ATOM 0 HE1 TYR A 199 15.369 3.142 -3.280 1.00 1.30 H new ATOM 0 HE2 TYR A 199 11.908 2.289 -0.881 1.00 1.42 H new ATOM 0 HH TYR A 199 13.950 0.693 -1.699 1.00 0.98 H new ATOM 2497 N GLY A 200 10.583 8.639 -2.822 1.00 0.57 N ATOM 2498 CA GLY A 200 9.654 9.794 -2.973 1.00 0.66 C ATOM 2499 C GLY A 200 10.460 11.079 -3.170 1.00 1.30 C ATOM 2500 O GLY A 200 10.930 11.680 -2.224 1.00 2.17 O ATOM 0 H GLY A 200 10.449 8.081 -1.979 1.00 0.57 H new ATOM 0 HA2 GLY A 200 8.993 9.633 -3.825 1.00 0.66 H new ATOM 0 HA3 GLY A 200 9.021 9.882 -2.090 1.00 0.66 H new ATOM 2504 N ASN A 201 10.626 11.505 -4.392 1.00 1.59 N ATOM 2505 CA ASN A 201 11.402 12.751 -4.648 1.00 2.34 C ATOM 2506 C ASN A 201 10.985 13.344 -5.996 1.00 2.46 C ATOM 2507 O ASN A 201 10.155 12.798 -6.695 1.00 2.56 O ATOM 2508 CB ASN A 201 12.897 12.424 -4.676 1.00 3.19 C ATOM 2509 CG ASN A 201 13.535 12.835 -3.347 1.00 3.78 C ATOM 2510 OD1 ASN A 201 13.742 12.011 -2.479 1.00 4.01 O ATOM 2511 ND2 ASN A 201 13.857 14.084 -3.151 1.00 4.48 N ATOM 0 H ASN A 201 10.258 11.044 -5.224 1.00 1.59 H new ATOM 0 HA ASN A 201 11.202 13.473 -3.856 1.00 2.34 H new ATOM 0 HB2 ASN A 201 13.044 11.358 -4.847 1.00 3.19 H new ATOM 0 HB3 ASN A 201 13.379 12.949 -5.501 1.00 3.19 H new ATOM 0 HD21 ASN A 201 14.283 14.369 -2.269 1.00 4.48 H new ATOM 0 HD22 ASN A 201 13.683 14.776 -3.880 1.00 4.48 H new ATOM 2518 N ASN A 202 11.556 14.457 -6.366 1.00 3.05 N ATOM 2519 CA ASN A 202 11.192 15.084 -7.668 1.00 3.43 C ATOM 2520 C ASN A 202 11.686 14.201 -8.815 1.00 3.72 C ATOM 2521 O ASN A 202 10.967 13.931 -9.756 1.00 4.11 O ATOM 2522 CB ASN A 202 11.845 16.464 -7.770 1.00 3.63 C ATOM 2523 CG ASN A 202 11.078 17.319 -8.781 1.00 4.19 C ATOM 2524 OD1 ASN A 202 10.464 18.303 -8.420 1.00 4.44 O ATOM 2525 ND2 ASN A 202 11.088 16.982 -10.042 1.00 4.81 N ATOM 0 H ASN A 202 12.259 14.959 -5.823 1.00 3.05 H new ATOM 0 HA ASN A 202 10.109 15.189 -7.730 1.00 3.43 H new ATOM 0 HB2 ASN A 202 11.847 16.950 -6.794 1.00 3.63 H new ATOM 0 HB3 ASN A 202 12.886 16.364 -8.078 1.00 3.63 H new ATOM 0 HD21 ASN A 202 10.580 17.545 -10.724 1.00 4.81 H new ATOM 0 HD22 ASN A 202 11.604 16.156 -10.345 1.00 4.81 H new ATOM 2532 N ALA A 203 12.908 13.748 -8.745 1.00 3.91 N ATOM 2533 CA ALA A 203 13.443 12.882 -9.834 1.00 4.54 C ATOM 2534 C ALA A 203 14.878 12.466 -9.502 1.00 4.69 C ATOM 2535 O ALA A 203 15.286 11.351 -9.761 1.00 5.30 O ATOM 2536 CB ALA A 203 13.430 13.657 -11.153 1.00 4.97 C ATOM 0 H ALA A 203 13.558 13.940 -7.983 1.00 3.91 H new ATOM 0 HA ALA A 203 12.821 11.992 -9.927 1.00 4.54 H new ATOM 0 HB1 ALA A 203 13.821 13.025 -11.950 1.00 4.97 H new ATOM 0 HB2 ALA A 203 12.408 13.952 -11.392 1.00 4.97 H new ATOM 0 HB3 ALA A 203 14.052 14.547 -11.058 1.00 4.97 H new ATOM 2542 N ALA A 204 15.649 13.352 -8.933 1.00 4.36 N ATOM 2543 CA ALA A 204 17.056 13.002 -8.589 1.00 4.82 C ATOM 2544 C ALA A 204 17.071 12.089 -7.359 1.00 4.29 C ATOM 2545 O ALA A 204 17.176 10.884 -7.474 1.00 4.49 O ATOM 2546 CB ALA A 204 17.844 14.281 -8.295 1.00 5.50 C ATOM 0 H ALA A 204 15.366 14.302 -8.692 1.00 4.36 H new ATOM 0 HA ALA A 204 17.517 12.481 -9.428 1.00 4.82 H new ATOM 0 HB1 ALA A 204 18.873 14.025 -8.043 1.00 5.50 H new ATOM 0 HB2 ALA A 204 17.835 14.924 -9.175 1.00 5.50 H new ATOM 0 HB3 ALA A 204 17.386 14.806 -7.457 1.00 5.50 H new ATOM 2552 N ALA A 205 16.966 12.651 -6.182 1.00 4.02 N ATOM 2553 CA ALA A 205 16.974 11.813 -4.949 1.00 3.85 C ATOM 2554 C ALA A 205 18.210 10.909 -4.946 1.00 4.24 C ATOM 2555 O ALA A 205 18.205 9.839 -4.369 1.00 4.09 O ATOM 2556 CB ALA A 205 15.712 10.949 -4.912 1.00 3.61 C ATOM 0 H ALA A 205 16.875 13.654 -6.023 1.00 4.02 H new ATOM 0 HA ALA A 205 16.999 12.461 -4.073 1.00 3.85 H new ATOM 0 HB1 ALA A 205 15.717 10.336 -4.011 1.00 3.61 H new ATOM 0 HB2 ALA A 205 14.831 11.591 -4.909 1.00 3.61 H new ATOM 0 HB3 ALA A 205 15.687 10.303 -5.790 1.00 3.61 H new ATOM 2562 N GLU A 206 19.268 11.327 -5.587 1.00 5.10 N ATOM 2563 CA GLU A 206 20.500 10.488 -5.620 1.00 5.74 C ATOM 2564 C GLU A 206 20.152 9.096 -6.150 1.00 6.37 C ATOM 2565 O GLU A 206 20.384 8.097 -5.499 1.00 6.61 O ATOM 2566 CB GLU A 206 21.074 10.367 -4.207 1.00 5.79 C ATOM 2567 CG GLU A 206 22.567 10.045 -4.289 1.00 6.24 C ATOM 2568 CD GLU A 206 23.355 11.059 -3.457 1.00 6.86 C ATOM 2569 OE1 GLU A 206 23.546 12.166 -3.934 1.00 7.30 O ATOM 2570 OE2 GLU A 206 23.754 10.712 -2.358 1.00 7.11 O ATOM 0 H GLU A 206 19.332 12.213 -6.089 1.00 5.10 H new ATOM 0 HA GLU A 206 21.239 10.952 -6.273 1.00 5.74 H new ATOM 0 HB2 GLU A 206 20.921 11.297 -3.660 1.00 5.79 H new ATOM 0 HB3 GLU A 206 20.552 9.584 -3.657 1.00 5.79 H new ATOM 0 HG2 GLU A 206 22.753 9.035 -3.922 1.00 6.24 H new ATOM 0 HG3 GLU A 206 22.899 10.074 -5.327 1.00 6.24 H new ATOM 2577 N SER A 207 19.594 9.023 -7.328 1.00 6.90 N ATOM 2578 CA SER A 207 19.230 7.697 -7.901 1.00 7.73 C ATOM 2579 C SER A 207 20.459 6.786 -7.909 1.00 8.20 C ATOM 2580 O SER A 207 21.582 7.241 -7.815 1.00 8.26 O ATOM 2581 CB SER A 207 18.724 7.882 -9.332 1.00 8.14 C ATOM 2582 OG SER A 207 17.552 7.100 -9.521 1.00 8.29 O ATOM 0 H SER A 207 19.375 9.825 -7.918 1.00 6.90 H new ATOM 0 HA SER A 207 18.447 7.243 -7.293 1.00 7.73 H new ATOM 0 HB2 SER A 207 18.508 8.934 -9.520 1.00 8.14 H new ATOM 0 HB3 SER A 207 19.493 7.583 -10.044 1.00 8.14 H new ATOM 0 HG SER A 207 17.224 7.218 -10.437 1.00 8.29 H new ATOM 2588 N ARG A 208 20.255 5.502 -8.019 1.00 8.77 N ATOM 2589 CA ARG A 208 21.410 4.562 -8.033 1.00 9.42 C ATOM 2590 C ARG A 208 21.082 3.369 -8.935 1.00 9.51 C ATOM 2591 O ARG A 208 21.542 2.266 -8.717 1.00 9.53 O ATOM 2592 CB ARG A 208 21.701 4.065 -6.609 1.00 9.91 C ATOM 2593 CG ARG A 208 20.538 4.415 -5.673 1.00 10.83 C ATOM 2594 CD ARG A 208 19.283 3.650 -6.099 1.00 11.37 C ATOM 2595 NE ARG A 208 18.127 4.588 -6.166 1.00 12.23 N ATOM 2596 CZ ARG A 208 16.999 4.196 -6.692 1.00 12.88 C ATOM 2597 NH1 ARG A 208 16.928 3.944 -7.971 1.00 13.39 N ATOM 2598 NH2 ARG A 208 15.942 4.056 -5.940 1.00 13.17 N ATOM 0 H ARG A 208 19.338 5.063 -8.100 1.00 8.77 H new ATOM 0 HA ARG A 208 22.290 5.080 -8.415 1.00 9.42 H new ATOM 0 HB2 ARG A 208 21.857 2.986 -6.618 1.00 9.91 H new ATOM 0 HB3 ARG A 208 22.622 4.517 -6.240 1.00 9.91 H new ATOM 0 HG2 ARG A 208 20.798 4.163 -4.645 1.00 10.83 H new ATOM 0 HG3 ARG A 208 20.348 5.488 -5.699 1.00 10.83 H new ATOM 0 HD2 ARG A 208 19.442 3.182 -7.071 1.00 11.37 H new ATOM 0 HD3 ARG A 208 19.074 2.849 -5.390 1.00 11.37 H new ATOM 0 HE ARG A 208 18.217 5.536 -5.801 1.00 12.23 H new ATOM 0 HH11 ARG A 208 17.754 4.054 -8.559 1.00 13.39 H new ATOM 0 HH12 ARG A 208 16.046 3.638 -8.382 1.00 13.39 H new ATOM 0 HH21 ARG A 208 15.997 4.253 -4.941 1.00 13.17 H new ATOM 0 HH22 ARG A 208 15.060 3.750 -6.351 1.00 13.17 H new ATOM 2612 N LYS A 209 20.288 3.584 -9.949 1.00 9.78 N ATOM 2613 CA LYS A 209 19.928 2.466 -10.866 1.00 10.11 C ATOM 2614 C LYS A 209 21.174 2.008 -11.627 1.00 10.01 C ATOM 2615 O LYS A 209 21.410 2.411 -12.749 1.00 10.18 O ATOM 2616 CB LYS A 209 18.870 2.947 -11.862 1.00 10.94 C ATOM 2617 CG LYS A 209 18.426 1.777 -12.742 1.00 11.50 C ATOM 2618 CD LYS A 209 17.055 1.280 -12.277 1.00 12.14 C ATOM 2619 CE LYS A 209 17.238 0.138 -11.277 1.00 12.74 C ATOM 2620 NZ LYS A 209 16.974 0.638 -9.898 1.00 13.62 N ATOM 0 H LYS A 209 19.873 4.486 -10.182 1.00 9.78 H new ATOM 0 HA LYS A 209 19.531 1.633 -10.286 1.00 10.11 H new ATOM 0 HB2 LYS A 209 18.014 3.359 -11.328 1.00 10.94 H new ATOM 0 HB3 LYS A 209 19.275 3.748 -12.481 1.00 10.94 H new ATOM 0 HG2 LYS A 209 18.376 2.091 -13.785 1.00 11.50 H new ATOM 0 HG3 LYS A 209 19.156 0.969 -12.687 1.00 11.50 H new ATOM 0 HD2 LYS A 209 16.498 2.096 -11.816 1.00 12.14 H new ATOM 0 HD3 LYS A 209 16.471 0.939 -13.132 1.00 12.14 H new ATOM 0 HE2 LYS A 209 16.558 -0.680 -11.515 1.00 12.74 H new ATOM 0 HE3 LYS A 209 18.251 -0.259 -11.344 1.00 12.74 H new ATOM 0 HZ1 LYS A 209 17.367 -0.031 -9.205 1.00 13.62 H new ATOM 0 HZ2 LYS A 209 17.422 1.568 -9.774 1.00 13.62 H new ATOM 0 HZ3 LYS A 209 15.948 0.726 -9.751 1.00 13.62 H new ATOM 2634 N GLY A 210 21.974 1.170 -11.026 1.00 9.94 N ATOM 2635 CA GLY A 210 23.203 0.688 -11.717 1.00 10.02 C ATOM 2636 C GLY A 210 24.039 1.887 -12.168 1.00 9.89 C ATOM 2637 O GLY A 210 24.717 1.840 -13.175 1.00 9.69 O ATOM 0 H GLY A 210 21.830 0.799 -10.087 1.00 9.94 H new ATOM 0 HA2 GLY A 210 23.786 0.056 -11.047 1.00 10.02 H new ATOM 0 HA3 GLY A 210 22.933 0.076 -12.577 1.00 10.02 H new ATOM 2641 N GLN A 211 23.995 2.963 -11.430 1.00 10.20 N ATOM 2642 CA GLN A 211 24.787 4.165 -11.818 1.00 10.32 C ATOM 2643 C GLN A 211 26.256 3.951 -11.448 1.00 10.67 C ATOM 2644 O GLN A 211 26.811 4.661 -10.633 1.00 10.68 O ATOM 2645 CB GLN A 211 24.247 5.391 -11.078 1.00 10.38 C ATOM 2646 CG GLN A 211 23.250 6.129 -11.974 1.00 10.24 C ATOM 2647 CD GLN A 211 22.972 7.516 -11.392 1.00 10.42 C ATOM 2648 OE1 GLN A 211 23.342 7.803 -10.271 1.00 10.38 O ATOM 2649 NE2 GLN A 211 22.330 8.395 -12.113 1.00 10.83 N ATOM 0 H GLN A 211 23.446 3.062 -10.576 1.00 10.20 H new ATOM 0 HA GLN A 211 24.704 4.323 -12.893 1.00 10.32 H new ATOM 0 HB2 GLN A 211 23.762 5.085 -10.151 1.00 10.38 H new ATOM 0 HB3 GLN A 211 25.067 6.055 -10.805 1.00 10.38 H new ATOM 0 HG2 GLN A 211 23.650 6.220 -12.984 1.00 10.24 H new ATOM 0 HG3 GLN A 211 22.322 5.561 -12.049 1.00 10.24 H new ATOM 0 HE21 GLN A 211 22.019 8.154 -13.054 1.00 10.83 H new ATOM 0 HE22 GLN A 211 22.139 9.323 -11.735 1.00 10.83 H new ATOM 2658 N GLU A 212 26.890 2.977 -12.040 1.00 11.11 N ATOM 2659 CA GLU A 212 28.322 2.719 -11.723 1.00 11.55 C ATOM 2660 C GLU A 212 29.160 2.889 -12.991 1.00 11.94 C ATOM 2661 O GLU A 212 29.877 1.996 -13.398 1.00 12.18 O ATOM 2662 CB GLU A 212 28.478 1.291 -11.193 1.00 11.90 C ATOM 2663 CG GLU A 212 27.495 1.063 -10.043 1.00 12.06 C ATOM 2664 CD GLU A 212 26.506 -0.040 -10.427 1.00 12.48 C ATOM 2665 OE1 GLU A 212 26.114 -0.082 -11.581 1.00 12.69 O ATOM 2666 OE2 GLU A 212 26.158 -0.825 -9.559 1.00 12.72 O ATOM 0 H GLU A 212 26.478 2.349 -12.730 1.00 11.11 H new ATOM 0 HA GLU A 212 28.662 3.425 -10.965 1.00 11.55 H new ATOM 0 HB2 GLU A 212 28.292 0.573 -11.992 1.00 11.90 H new ATOM 0 HB3 GLU A 212 29.500 1.129 -10.850 1.00 11.90 H new ATOM 0 HG2 GLU A 212 28.035 0.783 -9.139 1.00 12.06 H new ATOM 0 HG3 GLU A 212 26.959 1.986 -9.821 1.00 12.06 H new ATOM 2673 N ARG A 213 29.074 4.030 -13.621 1.00 12.18 N ATOM 2674 CA ARG A 213 29.865 4.257 -14.863 1.00 12.71 C ATOM 2675 C ARG A 213 30.752 5.491 -14.691 1.00 13.22 C ATOM 2676 O ARG A 213 31.893 5.504 -15.105 1.00 13.38 O ATOM 2677 CB ARG A 213 28.912 4.478 -16.040 1.00 12.33 C ATOM 2678 CG ARG A 213 27.750 3.487 -15.949 1.00 12.80 C ATOM 2679 CD ARG A 213 26.537 4.179 -15.324 1.00 12.54 C ATOM 2680 NE ARG A 213 26.170 5.371 -16.139 1.00 12.90 N ATOM 2681 CZ ARG A 213 25.806 5.223 -17.384 1.00 13.17 C ATOM 2682 NH1 ARG A 213 26.708 5.162 -18.325 1.00 13.44 N ATOM 2683 NH2 ARG A 213 24.540 5.137 -17.687 1.00 13.32 N ATOM 0 H ARG A 213 28.490 4.814 -13.329 1.00 12.18 H new ATOM 0 HA ARG A 213 30.491 3.386 -15.056 1.00 12.71 H new ATOM 0 HB2 ARG A 213 28.534 5.500 -16.028 1.00 12.33 H new ATOM 0 HB3 ARG A 213 29.444 4.346 -16.982 1.00 12.33 H new ATOM 0 HG2 ARG A 213 27.498 3.114 -16.942 1.00 12.80 H new ATOM 0 HG3 ARG A 213 28.040 2.625 -15.348 1.00 12.80 H new ATOM 0 HD2 ARG A 213 25.696 3.487 -15.273 1.00 12.54 H new ATOM 0 HD3 ARG A 213 26.764 4.480 -14.301 1.00 12.54 H new ATOM 0 HE ARG A 213 26.203 6.302 -15.724 1.00 12.90 H new ATOM 0 HH11 ARG A 213 27.698 5.230 -18.088 1.00 13.44 H new ATOM 0 HH12 ARG A 213 26.423 5.046 -19.298 1.00 13.44 H new ATOM 0 HH21 ARG A 213 23.835 5.185 -16.951 1.00 13.32 H new ATOM 0 HH22 ARG A 213 24.255 5.021 -18.660 1.00 13.32 H new ATOM 2697 N LEU A 214 30.233 6.528 -14.087 1.00 13.60 N ATOM 2698 CA LEU A 214 31.050 7.769 -13.892 1.00 14.20 C ATOM 2699 C LEU A 214 32.352 7.427 -13.136 1.00 14.53 C ATOM 2700 O LEU A 214 33.301 6.976 -13.738 1.00 14.77 O ATOM 2701 CB LEU A 214 30.238 8.840 -13.135 1.00 14.68 C ATOM 2702 CG LEU A 214 29.319 8.192 -12.092 1.00 15.07 C ATOM 2703 CD1 LEU A 214 29.382 8.989 -10.788 1.00 15.25 C ATOM 2704 CD2 LEU A 214 27.881 8.184 -12.616 1.00 15.60 C ATOM 0 H LEU A 214 29.282 6.572 -13.720 1.00 13.60 H new ATOM 0 HA LEU A 214 31.312 8.177 -14.868 1.00 14.20 H new ATOM 0 HB2 LEU A 214 30.917 9.538 -12.645 1.00 14.68 H new ATOM 0 HB3 LEU A 214 29.643 9.418 -13.842 1.00 14.68 H new ATOM 0 HG LEU A 214 29.645 7.169 -11.907 1.00 15.07 H new ATOM 0 HD11 LEU A 214 28.729 8.528 -10.048 1.00 15.25 H new ATOM 0 HD12 LEU A 214 30.406 8.995 -10.415 1.00 15.25 H new ATOM 0 HD13 LEU A 214 29.056 10.013 -10.971 1.00 15.25 H new ATOM 0 HD21 LEU A 214 27.227 7.724 -11.876 1.00 15.60 H new ATOM 0 HD22 LEU A 214 27.556 9.208 -12.801 1.00 15.60 H new ATOM 0 HD23 LEU A 214 27.835 7.615 -13.545 1.00 15.60 H new ATOM 2716 N GLU A 215 32.412 7.637 -11.835 1.00 14.68 N ATOM 2717 CA GLU A 215 33.655 7.319 -11.055 1.00 15.16 C ATOM 2718 C GLU A 215 34.910 7.893 -11.747 1.00 15.95 C ATOM 2719 O GLU A 215 36.018 7.436 -11.539 1.00 16.59 O ATOM 2720 CB GLU A 215 33.747 5.785 -10.870 1.00 15.10 C ATOM 2721 CG GLU A 215 34.728 5.136 -11.859 1.00 15.30 C ATOM 2722 CD GLU A 215 34.319 3.682 -12.098 1.00 15.48 C ATOM 2723 OE1 GLU A 215 33.747 3.092 -11.196 1.00 15.73 O ATOM 2724 OE2 GLU A 215 34.583 3.182 -13.179 1.00 15.49 O ATOM 0 H GLU A 215 31.646 8.018 -11.279 1.00 14.68 H new ATOM 0 HA GLU A 215 33.603 7.790 -10.074 1.00 15.16 H new ATOM 0 HB2 GLU A 215 34.062 5.562 -9.850 1.00 15.10 H new ATOM 0 HB3 GLU A 215 32.758 5.345 -11.001 1.00 15.10 H new ATOM 0 HG2 GLU A 215 34.729 5.685 -12.801 1.00 15.30 H new ATOM 0 HG3 GLU A 215 35.743 5.180 -11.464 1.00 15.30 H new ATOM 2731 N HIS A 216 34.751 8.903 -12.566 1.00 16.00 N ATOM 2732 CA HIS A 216 35.932 9.497 -13.258 1.00 16.85 C ATOM 2733 C HIS A 216 36.613 8.443 -14.149 1.00 17.36 C ATOM 2734 O HIS A 216 37.737 8.623 -14.575 1.00 17.22 O ATOM 2735 CB HIS A 216 36.932 9.999 -12.214 1.00 16.97 C ATOM 2736 CG HIS A 216 37.802 11.065 -12.821 1.00 17.68 C ATOM 2737 ND1 HIS A 216 37.275 12.199 -13.420 1.00 18.46 N ATOM 2738 CD2 HIS A 216 39.165 11.183 -12.929 1.00 17.84 C ATOM 2739 CE1 HIS A 216 38.308 12.943 -13.857 1.00 19.04 C ATOM 2740 NE2 HIS A 216 39.483 12.369 -13.584 1.00 18.71 N ATOM 0 H HIS A 216 33.855 9.340 -12.784 1.00 16.00 H new ATOM 0 HA HIS A 216 35.597 10.326 -13.881 1.00 16.85 H new ATOM 0 HB2 HIS A 216 36.401 10.397 -11.349 1.00 16.97 H new ATOM 0 HB3 HIS A 216 37.547 9.173 -11.858 1.00 16.97 H new ATOM 0 HD2 HIS A 216 39.882 10.464 -12.561 1.00 17.84 H new ATOM 0 HE1 HIS A 216 38.200 13.889 -14.366 1.00 19.04 H new ATOM 0 HE2 HIS A 216 40.413 12.724 -13.807 1.00 18.71 H new ATOM 2748 N HIS A 217 35.942 7.350 -14.437 1.00 18.07 N ATOM 2749 CA HIS A 217 36.542 6.286 -15.299 1.00 18.72 C ATOM 2750 C HIS A 217 37.959 5.925 -14.828 1.00 19.58 C ATOM 2751 O HIS A 217 38.752 5.426 -15.601 1.00 20.20 O ATOM 2752 CB HIS A 217 36.605 6.779 -16.746 1.00 18.98 C ATOM 2753 CG HIS A 217 35.648 7.925 -16.931 1.00 18.79 C ATOM 2754 ND1 HIS A 217 36.083 9.232 -17.084 1.00 18.04 N ATOM 2755 CD2 HIS A 217 34.277 7.977 -16.986 1.00 19.35 C ATOM 2756 CE1 HIS A 217 34.993 10.008 -17.223 1.00 18.18 C ATOM 2757 NE2 HIS A 217 33.865 9.294 -17.170 1.00 18.98 N ATOM 0 H HIS A 217 34.997 7.151 -14.108 1.00 18.07 H new ATOM 0 HA HIS A 217 35.916 5.396 -15.229 1.00 18.72 H new ATOM 0 HB2 HIS A 217 37.619 7.096 -16.989 1.00 18.98 H new ATOM 0 HB3 HIS A 217 36.353 5.968 -17.429 1.00 18.98 H new ATOM 0 HD2 HIS A 217 33.618 7.126 -16.900 1.00 19.35 H new ATOM 0 HE1 HIS A 217 35.026 11.079 -17.361 1.00 18.18 H new ATOM 0 HE2 HIS A 217 32.908 9.639 -17.248 1.00 18.98 H new ATOM 2765 N HIS A 218 38.286 6.161 -13.576 1.00 19.71 N ATOM 2766 CA HIS A 218 39.658 5.818 -13.084 1.00 20.64 C ATOM 2767 C HIS A 218 39.872 6.385 -11.670 1.00 21.08 C ATOM 2768 O HIS A 218 40.844 7.063 -11.402 1.00 20.92 O ATOM 2769 CB HIS A 218 40.709 6.403 -14.040 1.00 20.60 C ATOM 2770 CG HIS A 218 41.474 5.280 -14.686 1.00 20.88 C ATOM 2771 ND1 HIS A 218 40.880 4.070 -15.007 1.00 20.73 N ATOM 2772 CD2 HIS A 218 42.785 5.170 -15.077 1.00 21.42 C ATOM 2773 CE1 HIS A 218 41.824 3.290 -15.565 1.00 21.18 C ATOM 2774 NE2 HIS A 218 43.004 3.912 -15.632 1.00 21.60 N ATOM 0 H HIS A 218 37.665 6.574 -12.880 1.00 19.71 H new ATOM 0 HA HIS A 218 39.761 4.733 -13.049 1.00 20.64 H new ATOM 0 HB2 HIS A 218 40.224 7.014 -14.802 1.00 20.60 H new ATOM 0 HB3 HIS A 218 41.390 7.056 -13.494 1.00 20.60 H new ATOM 0 HD1 HIS A 218 39.905 3.817 -14.849 1.00 20.73 H new ATOM 0 HD2 HIS A 218 43.533 5.942 -14.970 1.00 21.42 H new ATOM 0 HE1 HIS A 218 41.649 2.284 -15.916 1.00 21.18 H new ATOM 2782 N HIS A 219 38.980 6.114 -10.756 1.00 21.72 N ATOM 2783 CA HIS A 219 39.164 6.647 -9.372 1.00 22.29 C ATOM 2784 C HIS A 219 38.723 5.608 -8.327 1.00 22.79 C ATOM 2785 O HIS A 219 38.592 5.915 -7.158 1.00 23.43 O ATOM 2786 CB HIS A 219 38.346 7.935 -9.209 1.00 22.87 C ATOM 2787 CG HIS A 219 37.023 7.632 -8.557 1.00 23.18 C ATOM 2788 ND1 HIS A 219 36.602 8.279 -7.406 1.00 23.13 N ATOM 2789 CD2 HIS A 219 36.019 6.757 -8.882 1.00 23.65 C ATOM 2790 CE1 HIS A 219 35.391 7.788 -7.084 1.00 23.57 C ATOM 2791 NE2 HIS A 219 34.989 6.857 -7.952 1.00 23.89 N ATOM 0 H HIS A 219 38.141 5.553 -10.903 1.00 21.72 H new ATOM 0 HA HIS A 219 40.221 6.863 -9.215 1.00 22.29 H new ATOM 0 HB2 HIS A 219 38.901 8.653 -8.605 1.00 22.87 H new ATOM 0 HB3 HIS A 219 38.183 8.396 -10.183 1.00 22.87 H new ATOM 0 HD1 HIS A 219 37.116 8.997 -6.896 1.00 23.13 H new ATOM 0 HD2 HIS A 219 36.026 6.091 -9.732 1.00 23.65 H new ATOM 0 HE1 HIS A 219 34.815 8.108 -6.228 1.00 23.57 H new ATOM 2799 N HIS A 220 38.499 4.381 -8.725 1.00 22.59 N ATOM 2800 CA HIS A 220 38.075 3.349 -7.736 1.00 23.17 C ATOM 2801 C HIS A 220 39.040 2.161 -7.784 1.00 23.12 C ATOM 2802 O HIS A 220 38.675 1.040 -7.486 1.00 22.98 O ATOM 2803 CB HIS A 220 36.659 2.874 -8.072 1.00 23.35 C ATOM 2804 CG HIS A 220 36.714 1.886 -9.205 1.00 24.14 C ATOM 2805 ND1 HIS A 220 36.211 0.600 -9.088 1.00 24.54 N ATOM 2806 CD2 HIS A 220 37.210 1.981 -10.482 1.00 24.70 C ATOM 2807 CE1 HIS A 220 36.414 -0.023 -10.263 1.00 25.28 C ATOM 2808 NE2 HIS A 220 37.019 0.774 -11.148 1.00 25.41 N ATOM 0 H HIS A 220 38.591 4.053 -9.686 1.00 22.59 H new ATOM 0 HA HIS A 220 38.086 3.780 -6.735 1.00 23.17 H new ATOM 0 HB2 HIS A 220 36.202 2.413 -7.196 1.00 23.35 H new ATOM 0 HB3 HIS A 220 36.035 3.724 -8.347 1.00 23.35 H new ATOM 0 HD2 HIS A 220 37.677 2.858 -10.905 1.00 24.70 H new ATOM 0 HE1 HIS A 220 36.123 -1.043 -10.466 1.00 25.28 H new ATOM 0 HE2 HIS A 220 37.284 0.547 -12.106 1.00 25.41 H new ATOM 2816 N HIS A 221 40.271 2.395 -8.155 1.00 23.35 N ATOM 2817 CA HIS A 221 41.257 1.279 -8.220 1.00 23.45 C ATOM 2818 C HIS A 221 40.705 0.160 -9.106 1.00 23.71 C ATOM 2819 O HIS A 221 41.252 -0.930 -9.059 1.00 23.84 O ATOM 2820 CB HIS A 221 41.510 0.739 -6.811 1.00 23.84 C ATOM 2821 CG HIS A 221 41.498 1.878 -5.829 1.00 23.66 C ATOM 2822 ND1 HIS A 221 41.981 3.136 -6.153 1.00 23.91 N ATOM 2823 CD2 HIS A 221 41.064 1.966 -4.530 1.00 23.37 C ATOM 2824 CE1 HIS A 221 41.827 3.921 -5.071 1.00 23.78 C ATOM 2825 NE2 HIS A 221 41.272 3.257 -4.052 1.00 23.44 N ATOM 2826 OXT HIS A 221 39.745 0.412 -9.816 1.00 23.86 O ATOM 0 H HIS A 221 40.635 3.311 -8.416 1.00 23.35 H new ATOM 0 HA HIS A 221 42.193 1.646 -8.641 1.00 23.45 H new ATOM 0 HB2 HIS A 221 40.745 0.009 -6.547 1.00 23.84 H new ATOM 0 HB3 HIS A 221 42.469 0.223 -6.774 1.00 23.84 H new ATOM 0 HD2 HIS A 221 40.627 1.156 -3.964 1.00 23.37 H new ATOM 0 HE1 HIS A 221 42.116 4.961 -5.031 1.00 23.78 H new ATOM 0 HE2 HIS A 221 41.049 3.618 -3.125 1.00 23.44 H new TER 2834 HIS A 221 HETATM 2835 C1 4FC A1000 3.990 -9.710 -4.792 1.00 1.18 C HETATM 2836 C2 4FC A1000 3.308 -8.709 -5.481 1.00 0.35 C HETATM 2837 C3 4FC A1000 3.718 -7.381 -5.363 1.00 1.28 C HETATM 2838 C4 4FC A1000 4.795 -7.061 -4.561 1.00 1.30 C HETATM 2839 C5 4FC A1000 5.470 -8.065 -3.876 1.00 0.27 C HETATM 2840 C6 4FC A1000 5.068 -9.384 -3.995 1.00 1.14 C HETATM 2841 C7 4FC A1000 6.723 -6.445 -2.459 1.00 1.31 C HETATM 2842 C8 4FC A1000 6.615 -7.725 -2.985 1.00 0.31 C HETATM 2843 C9 4FC A1000 7.565 -8.690 -2.680 1.00 1.10 C HETATM 2844 C10 4FC A1000 8.628 -8.376 -1.854 1.00 1.08 C HETATM 2845 C11 4FC A1000 8.742 -7.092 -1.326 1.00 0.45 C HETATM 2846 C12 4FC A1000 7.784 -6.128 -1.628 1.00 1.37 C HETATM 2847 F1 4FC A1000 2.264 -9.022 -6.258 1.00 0.42 F HETATM 2848 C13 4FC A1000 9.872 -6.756 -0.446 1.00 0.54 C HETATM 2849 O1 4FC A1000 10.397 -5.666 -0.492 1.00 1.13 O HETATM 2850 O2 4FC A1000 10.314 -7.566 0.339 1.00 1.20 O HETATM 0 HD2 4FC A1000 9.376 -9.132 -1.616 1.00 1.08 H new HETATM 0 HD1 4FC A1000 7.869 -5.125 -1.211 1.00 1.37 H new HETATM 0 HC2 4FC A1000 5.974 -5.691 -2.700 1.00 1.31 H new HETATM 0 HC1 4FC A1000 7.473 -9.695 -3.092 1.00 1.10 H new HETATM 0 HB2 4FC A1000 5.604 -10.167 -3.458 1.00 1.14 H new HETATM 0 HB1 4FC A1000 5.115 -6.024 -4.465 1.00 1.30 H new HETATM 0 HA2 4FC A1000 3.188 -6.597 -5.904 1.00 1.28 H new HETATM 0 HA1 4FC A1000 3.672 -10.749 -4.883 1.00 1.18 H new HETATM 2859 C1 TN1 A1001 10.890 -0.329 -4.094 1.00 1.01 C HETATM 2860 C2 TN1 A1001 12.206 -0.105 -3.698 1.00 1.53 C HETATM 2861 C3 TN1 A1001 13.242 -0.098 -4.637 1.00 1.58 C HETATM 2862 C4 TN1 A1001 12.970 -0.314 -5.984 1.00 1.91 C HETATM 2863 C5 TN1 A1001 11.662 -0.539 -6.392 1.00 2.06 C HETATM 2864 C6 TN1 A1001 10.655 -0.544 -5.461 1.00 1.33 C HETATM 2865 C7 TN1 A1001 9.207 -0.785 -5.852 1.00 1.63 C HETATM 2866 C8 TN1 A1001 8.189 -0.022 -4.999 1.00 0.84 C HETATM 2867 C9 TN1 A1001 8.329 -0.384 -3.497 1.00 0.76 C HETATM 2868 C10 TN1 A1001 9.790 -0.331 -3.057 1.00 1.34 C HETATM 2869 O11 TN1 A1001 12.534 0.111 -2.404 1.00 2.46 O HETATM 0 HH TN1 A1001 12.394 1.056 -2.184 1.00 2.46 H new HETATM 0 HG TN1 A1001 14.268 0.078 -4.312 1.00 1.58 H new HETATM 0 HF TN1 A1001 13.779 -0.307 -6.715 1.00 1.91 H new HETATM 0 HE TN1 A1001 11.437 -0.710 -7.445 1.00 2.06 H new HETATM 0 HD2 TN1 A1001 9.073 -0.503 -6.896 1.00 1.63 H new HETATM 0 HD1 TN1 A1001 8.996 -1.852 -5.781 1.00 1.63 H new HETATM 0 HC2 TN1 A1001 8.331 1.051 -5.132 1.00 0.84 H new HETATM 0 HC1 TN1 A1001 7.180 -0.254 -5.339 1.00 0.84 H new HETATM 0 HB2 TN1 A1001 7.739 0.308 -2.896 1.00 0.76 H new HETATM 0 HB1 TN1 A1001 7.928 -1.382 -3.321 1.00 0.76 H new HETATM 0 HA2 TN1 A1001 9.963 -1.185 -2.402 1.00 1.34 H new HETATM 0 HA1 TN1 A1001 9.914 0.566 -2.451 1.00 1.34 H new CONECT 2835 2836 2840 2851 CONECT 2836 2835 2837 2847 CONECT 2837 2836 2838 2852 CONECT 2838 2837 2839 2853 CONECT 2839 2838 2840 2842 CONECT 2840 2835 2839 2854 CONECT 2841 2842 2846 2855 CONECT 2842 2839 2841 2843 CONECT 2843 2842 2844 2856 CONECT 2844 2843 2845 2857 CONECT 2845 2844 2846 2848 CONECT 2846 2841 2845 2858 CONECT 2847 2836 CONECT 2848 2845 2849 2850 CONECT 2849 2848 CONECT 2850 2848 CONECT 2851 2835 CONECT 2852 2837 CONECT 2853 2838 CONECT 2854 2840 CONECT 2855 2841 CONECT 2856 2843 CONECT 2857 2844 CONECT 2858 2846 CONECT 2859 2860 2864 2868 CONECT 2860 2859 2861 2869 CONECT 2861 2860 2862 2870 CONECT 2862 2861 2863 2871 CONECT 2863 2862 2864 2872 CONECT 2864 2859 2863 2865 CONECT 2865 2864 2866 2873 2874 CONECT 2866 2865 2867 2875 2876 CONECT 2867 2866 2868 2877 2878 CONECT 2868 2859 2867 2879 2880 CONECT 2869 2860 2881 CONECT 2870 2861 CONECT 2871 2862 CONECT 2872 2863 CONECT 2873 2865 CONECT 2874 2865 CONECT 2875 2866 CONECT 2876 2866 CONECT 2877 2867 CONECT 2878 2867 CONECT 2879 2868 CONECT 2880 2868 CONECT 2881 2869 END