USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=28
USER MOD reduce.3.24.130724 removed 1125 hydrogens (41 hets)
HEADER APOPTOSIS 30-NOV-06 2O2N
TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN
TITLE 2 COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: BCL-2-LIKE 1 PROTEIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: BCL2L1, BCL2L, BCLX;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET30B
KEYWDS APOPTOSIS, COMPLEX, BCL, NMR
EXPDTA SOLUTION NMR
AUTHOR M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER,
AUTHOR 2 D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG,P.M.NIMMER,
AUTHOR 3 T.OLTERSDORF,C.M.PARK,A.M.PETROS,A.R.SHOEMAKER,X.SONG,
AUTHOR 4 X.WANG,M.D.WENDT,H.ZHANG,S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE
REVDAT 2 24-FEB-09 2O2N 1 VERSN
REVDAT 1 27-FEB-07 2O2N 0
JRNL AUTH M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,
JRNL AUTH 2 A.KUNZER,D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG,
JRNL AUTH 3 P.M.NIMMER,T.OLTERSDORF,C.M.PARK,A.M.PETROS,
JRNL AUTH 4 A.R.SHOEMAKER,X.SONG,X.WANG,M.D.WENDT,H.ZHANG,
JRNL AUTH 5 S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE
JRNL TITL STUDIES LEADING TO POTENT, DUAL INHIBITORS OF
JRNL TITL 2 BCL-2 AND BCL-XL.
JRNL REF J.MED.CHEM. V. 50 641 2007
JRNL REFN ISSN 0022-2623
JRNL PMID 17256834
JRNL DOI 10.1021/JM061152T
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS
REMARK 3 AUTHORS : BRUNGER A. T. ETALL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2O2N COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-06.
REMARK 100 THE RCSB ID CODE IS RCSB040609.
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 SODIUM PHOSPHATE
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 50MM SODIUM PHOSPHATE BUFFER;
REMARK 210 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 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 : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 GLU A 162 CD GLU A 162 OE2 0.110
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 ASP A 193 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 TYR A 26 -177.34 -53.26
REMARK 500 TYR A 105 109.37 67.87
REMARK 500 ALA A 108 77.93 59.48
REMARK 500 PHE A 109 -56.14 172.38
REMARK 500 PHE A 135 51.99 -113.46
REMARK 500 ASP A 137 42.30 -104.22
REMARK 500 LYS A 161 30.55 -98.61
REMARK 500 MET A 163 50.75 -149.18
REMARK 500 ASP A 180 25.27 -157.26
REMARK 500 HIS A 181 -60.33 -164.40
REMARK 500 GLU A 188 39.27 -99.75
REMARK 500 ASN A 189 32.76 -156.76
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE LIW A 1000
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2O1Y RELATED DB: PDB
REMARK 900 RELATED ID: 2O21 RELATED DB: PDB
REMARK 900 RELATED ID: 2O22 RELATED DB: PDB
REMARK 900 RELATED ID: 2O2F RELATED DB: PDB
REMARK 900 RELATED ID: 2O2M RELATED DB: PDB
DBREF 2O2N A 6 27 UNP Q07817 BCLX_HUMAN 2 23
DBREF 2O2N A 37 200 UNP Q07817 BCLX_HUMAN 83 196
SEQADV 2O2N ALA A 28 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 29 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 25 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 31 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 32 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 33 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 29 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 30 UNP Q07817 INSERTION
SEQADV 2O2N GLY A 31 UNP Q07817 INSERTION
SEQRES 1 A 145 SER GLN SER ASN ARG GLU LEU VAL VAL ASP PHE LEU SER
SEQRES 2 A 145 TYR LYS LEU SER GLN LYS GLY TYR SER ALA GLY GLY GLY
SEQRES 3 A 145 GLY GLY GLY GLY GLY MET ALA ALA VAL LYS GLN ALA LEU
SEQRES 4 A 145 ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR ARG ARG
SEQRES 5 A 145 ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE THR PRO
SEQRES 6 A 145 GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL ASN GLU
SEQRES 7 A 145 LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE VAL ALA
SEQRES 8 A 145 PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SER VAL
SEQRES 9 A 145 ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE ALA ALA
SEQRES 10 A 145 TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU PRO TRP
SEQRES 11 A 145 ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL GLU LEU
SEQRES 12 A 145 TYR GLY
HET LIW A1000 93
HETNAM LIW 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-
HETNAM 2 LIW DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)
HETNAM 3 LIW SULFONYL]BENZAMIDE
FORMUL 2 LIW C40 H41 N5 O5 S2
HELIX 1 1 SER A 6 LYS A 24 1 19
HELIX 2 2 MET A 37 ARG A 104 1 18
HELIX 3 3 ASP A 111 LEU A 116 1 6
HELIX 4 4 ALA A 123 PHE A 135 1 13
HELIX 5 5 ASN A 140 LYS A 161 1 22
HELIX 6 6 GLN A 164 ASN A 179 1 16
HELIX 7 7 HIS A 181 GLU A 188 1 8
HELIX 8 8 TRP A 192 TYR A 199 1 8
SITE *** AC1 11 GLU A 100 PHE A 101 TYR A 105 ALA A 108
SITE *** AC1 11 LEU A 112 VAL A 130 LEU A 134 TRP A 141
SITE *** AC1 11 GLY A 142 ARG A 143 TYR A 199
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
USER MOD -----------------------------------------------------------------
USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER MOD "!" flags a clash with an overlap of 0.40A or greater
USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER MOD Set 1.1: A 119 THR OG1 : rot -63:sc= 1.28
USER MOD Set 1.2: A 122 THR OG1 : rot -170:sc= 1.07
USER MOD Set 2.1: A 114 SER OG : rot 0:sc= 0.589
USER MOD Set 2.2: A 117 HIS : no HE2:sc= 0.455 K(o=1,f=-0.69)
USER MOD Set 3.1: A 6 SER OG : rot 98:sc= 0.786
USER MOD Set 3.2: A 8 SER OG : rot 180:sc= -0.621
USER MOD Set 3.3: A 9 ASN : amide:sc= 0.928 K(o=1.1,f=-5.2!)
USER MOD Single : A 7 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1.2!)
USER MOD Single : A 18 SER OG : rot -104:sc= 0.148
USER MOD Single : A 19 TYR OH : rot -164:sc= 0.0176
USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.526 (180deg=-0.538)
USER MOD Single : A 22 SER OG : rot 180:sc= 0
USER MOD Single : A 23 GLN : amide:sc= -0.0839 K(o=-0.084,f=-0.82)
USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0)
USER MOD Single : A 26 TYR OH : rot 171:sc= 1.24
USER MOD Single : A 27 SER OG : rot 180:sc= 0
USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0)
USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 0.61 (180deg=0.182)
USER MOD Single : A 92 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.19)
USER MOD Single : A 105 TYR OH : rot -169:sc= -1.78
USER MOD Single : A 110 SER OG : rot 48:sc= 1.56
USER MOD Single : A 113 THR OG1 : rot -89:sc= 1.27
USER MOD Single : A 115 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.4!)
USER MOD Single : A 124 TYR OH : rot 180:sc= 0
USER MOD Single : A 125 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.0067)
USER MOD Single : A 126 SER OG : rot 180:sc= -0.884
USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.56)
USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=0)
USER MOD Single : A 140 ASN : amide:sc= -1.23 K(o=-1.2,f=-15!)
USER MOD Single : A 149 SER OG : rot 140:sc= 0.022
USER MOD Single : A 155 CYS SG : rot 89:sc= -1.63
USER MOD Single : A 158 SER OG : rot -71:sc= 1.13
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=-0.49)
USER MOD Single : A 168 SER OG : rot 180:sc= 0
USER MOD Single : A 174 MET CE :methyl -149:sc= -4.64! (180deg=-6.24!)
USER MOD Single : A 176 THR OG1 : rot 180:sc= 0
USER MOD Single : A 177 TYR OH : rot 180:sc= 0
USER MOD Single : A 179 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4)
USER MOD Single : A 181 HIS :FLIP no HE2:sc= -3.37 F(o=-5.9!,f=-3.4)
USER MOD Single : A 187 GLN : amide:sc= 0 K(o=0,f=-1.1)
USER MOD Single : A 189 ASN : amide:sc= -4.67 K(o=-4.7,f=-5.7!)
USER MOD Single : A 194 THR OG1 : rot 58:sc= 0.53
USER MOD Single : A 199 TYR OH : rot 180:sc= 0
USER MOD -----------------------------------------------------------------
ATOM 1 N SER A 6 19.075 -1.655 -3.045 1.00 0.02 N
ATOM 2 CA SER A 6 18.048 -2.537 -2.433 1.00 0.02 C
ATOM 3 C SER A 6 16.803 -1.746 -2.044 1.00 0.02 C
ATOM 4 O SER A 6 16.898 -0.652 -1.488 1.00 0.02 O
ATOM 5 CB SER A 6 18.653 -3.207 -1.198 1.00 0.02 C
ATOM 6 OG SER A 6 19.921 -2.654 -0.887 1.00 1.24 O
ATOM 0 HA SER A 6 17.745 -3.291 -3.160 1.00 0.02 H new
ATOM 0 HB2 SER A 6 17.981 -3.085 -0.348 1.00 0.02 H new
ATOM 0 HB3 SER A 6 18.753 -4.278 -1.374 1.00 0.02 H new
ATOM 0 HG SER A 6 19.821 -1.987 -0.176 1.00 1.24 H new
ATOM 14 N GLN A 7 15.635 -2.308 -2.340 1.00 0.02 N
ATOM 15 CA GLN A 7 14.370 -1.656 -2.021 1.00 0.02 C
ATOM 16 C GLN A 7 14.291 -1.320 -0.536 1.00 0.02 C
ATOM 17 O GLN A 7 13.721 -0.299 -0.150 1.00 0.02 O
ATOM 18 CB GLN A 7 13.196 -2.554 -2.416 1.00 0.02 C
ATOM 19 CG GLN A 7 12.896 -2.543 -3.906 1.00 0.02 C
ATOM 20 CD GLN A 7 11.559 -3.178 -4.235 1.00 1.07 C
ATOM 21 OE1 GLN A 7 10.629 -3.149 -3.429 1.00 2.00 O
ATOM 22 NE2 GLN A 7 11.457 -3.758 -5.426 1.00 1.54 N
ATOM 0 H GLN A 7 15.539 -3.213 -2.800 1.00 0.02 H new
ATOM 0 HA GLN A 7 14.315 -0.727 -2.589 1.00 0.02 H new
ATOM 0 HB2 GLN A 7 13.411 -3.576 -2.105 1.00 0.02 H new
ATOM 0 HB3 GLN A 7 12.307 -2.235 -1.872 1.00 0.02 H new
ATOM 0 HG2 GLN A 7 12.905 -1.515 -4.267 1.00 0.02 H new
ATOM 0 HG3 GLN A 7 13.687 -3.074 -4.436 1.00 0.02 H new
ATOM 0 HE21 GLN A 7 12.254 -3.758 -6.063 1.00 1.54 H new
ATOM 0 HE22 GLN A 7 10.582 -4.203 -5.703 1.00 1.54 H new
ATOM 31 N SER A 8 14.866 -2.184 0.293 1.00 0.02 N
ATOM 32 CA SER A 8 14.860 -1.979 1.737 1.00 0.02 C
ATOM 33 C SER A 8 15.295 -0.559 2.085 1.00 0.01 C
ATOM 34 O SER A 8 14.608 0.148 2.822 1.00 0.01 O
ATOM 35 CB SER A 8 15.782 -2.990 2.421 1.00 0.02 C
ATOM 36 OG SER A 8 16.715 -3.533 1.504 1.00 1.31 O
ATOM 0 H SER A 8 15.342 -3.033 -0.010 1.00 0.02 H new
ATOM 0 HA SER A 8 13.842 -2.127 2.096 1.00 0.02 H new
ATOM 0 HB2 SER A 8 16.313 -2.506 3.241 1.00 0.02 H new
ATOM 0 HB3 SER A 8 15.187 -3.792 2.857 1.00 0.02 H new
ATOM 0 HG SER A 8 17.293 -4.175 1.967 1.00 1.31 H new
ATOM 42 N ASN A 9 16.441 -0.148 1.550 1.00 0.01 N
ATOM 43 CA ASN A 9 16.967 1.187 1.805 1.00 0.01 C
ATOM 44 C ASN A 9 15.962 2.257 1.391 1.00 0.01 C
ATOM 45 O ASN A 9 15.675 3.181 2.153 1.00 0.01 O
ATOM 46 CB ASN A 9 18.285 1.391 1.055 1.00 0.01 C
ATOM 47 CG ASN A 9 19.264 0.257 1.289 1.00 0.01 C
ATOM 48 OD1 ASN A 9 18.926 -0.915 1.123 1.00 0.99 O
ATOM 49 ND2 ASN A 9 20.487 0.601 1.677 1.00 1.11 N
ATOM 0 H ASN A 9 17.022 -0.721 0.938 1.00 0.01 H new
ATOM 0 HA ASN A 9 17.148 1.280 2.876 1.00 0.01 H new
ATOM 0 HB2 ASN A 9 18.083 1.478 -0.012 1.00 0.01 H new
ATOM 0 HB3 ASN A 9 18.739 2.330 1.372 1.00 0.01 H new
ATOM 0 HD21 ASN A 9 21.189 -0.119 1.850 1.00 1.11 H new
ATOM 0 HD22 ASN A 9 20.724 1.585 1.802 1.00 1.11 H new
ATOM 56 N ARG A 10 15.431 2.126 0.180 1.00 0.01 N
ATOM 57 CA ARG A 10 14.458 3.082 -0.335 1.00 0.01 C
ATOM 58 C ARG A 10 13.335 3.312 0.672 1.00 0.01 C
ATOM 59 O ARG A 10 12.818 4.422 0.796 1.00 0.01 O
ATOM 60 CB ARG A 10 13.876 2.588 -1.661 1.00 0.01 C
ATOM 61 CG ARG A 10 13.292 3.698 -2.520 1.00 0.01 C
ATOM 62 CD ARG A 10 13.252 3.304 -3.987 1.00 0.90 C
ATOM 63 NE ARG A 10 12.127 3.919 -4.688 1.00 1.20 N
ATOM 64 CZ ARG A 10 10.853 3.585 -4.489 1.00 1.62 C
ATOM 65 NH1 ARG A 10 10.532 2.644 -3.609 1.00 1.83 N
ATOM 66 NH2 ARG A 10 9.895 4.197 -5.172 1.00 2.41 N
ATOM 0 H ARG A 10 15.658 1.367 -0.463 1.00 0.01 H new
ATOM 0 HA ARG A 10 14.972 4.029 -0.503 1.00 0.01 H new
ATOM 0 HB2 ARG A 10 14.658 2.078 -2.224 1.00 0.01 H new
ATOM 0 HB3 ARG A 10 13.099 1.852 -1.455 1.00 0.01 H new
ATOM 0 HG2 ARG A 10 12.284 3.933 -2.178 1.00 0.01 H new
ATOM 0 HG3 ARG A 10 13.888 4.603 -2.401 1.00 0.01 H new
ATOM 0 HD2 ARG A 10 14.184 3.600 -4.468 1.00 0.90 H new
ATOM 0 HD3 ARG A 10 13.181 2.219 -4.069 1.00 0.90 H new
ATOM 0 HE ARG A 10 12.330 4.649 -5.371 1.00 1.20 H new
ATOM 0 HH11 ARG A 10 11.264 2.171 -3.079 1.00 1.83 H new
ATOM 0 HH12 ARG A 10 9.554 2.395 -3.463 1.00 1.83 H new
ATOM 0 HH21 ARG A 10 10.134 4.922 -5.848 1.00 2.41 H new
ATOM 0 HH22 ARG A 10 8.919 3.943 -5.021 1.00 2.41 H new
ATOM 80 N GLU A 11 12.963 2.256 1.388 1.00 0.01 N
ATOM 81 CA GLU A 11 11.901 2.344 2.384 1.00 0.01 C
ATOM 82 C GLU A 11 12.313 3.251 3.539 1.00 0.01 C
ATOM 83 O GLU A 11 11.510 4.038 4.040 1.00 0.01 O
ATOM 84 CB GLU A 11 11.552 0.952 2.912 1.00 0.01 C
ATOM 85 CG GLU A 11 10.313 0.928 3.792 1.00 0.01 C
ATOM 86 CD GLU A 11 9.048 0.636 3.009 1.00 0.78 C
ATOM 87 OE1 GLU A 11 8.456 1.588 2.460 1.00 1.63 O
ATOM 88 OE2 GLU A 11 8.650 -0.546 2.944 1.00 1.43 O
ATOM 0 H GLU A 11 13.381 1.330 1.297 1.00 0.01 H new
ATOM 0 HA GLU A 11 11.021 2.774 1.905 1.00 0.01 H new
ATOM 0 HB2 GLU A 11 11.401 0.280 2.068 1.00 0.01 H new
ATOM 0 HB3 GLU A 11 12.398 0.565 3.480 1.00 0.01 H new
ATOM 0 HG2 GLU A 11 10.438 0.173 4.568 1.00 0.01 H new
ATOM 0 HG3 GLU A 11 10.211 1.889 4.295 1.00 0.01 H new
ATOM 95 N LEU A 12 13.569 3.135 3.956 1.00 0.01 N
ATOM 96 CA LEU A 12 14.089 3.944 5.052 1.00 0.01 C
ATOM 97 C LEU A 12 14.063 5.426 4.693 1.00 0.01 C
ATOM 98 O LEU A 12 13.720 6.270 5.521 1.00 0.01 O
ATOM 99 CB LEU A 12 15.517 3.516 5.395 1.00 0.01 C
ATOM 100 CG LEU A 12 15.721 2.009 5.551 1.00 0.01 C
ATOM 101 CD1 LEU A 12 17.146 1.706 5.986 1.00 1.04 C
ATOM 102 CD2 LEU A 12 14.724 1.437 6.547 1.00 1.05 C
ATOM 0 H LEU A 12 14.246 2.488 3.551 1.00 0.01 H new
ATOM 0 HA LEU A 12 13.451 3.788 5.922 1.00 0.01 H new
ATOM 0 HB2 LEU A 12 16.186 3.879 4.615 1.00 0.01 H new
ATOM 0 HB3 LEU A 12 15.814 4.005 6.323 1.00 0.01 H new
ATOM 0 HG LEU A 12 15.550 1.536 4.584 1.00 0.01 H new
ATOM 0 HD11 LEU A 12 17.273 0.629 6.092 1.00 1.04 H new
ATOM 0 HD12 LEU A 12 17.843 2.081 5.237 1.00 1.04 H new
ATOM 0 HD13 LEU A 12 17.345 2.191 6.942 1.00 1.04 H new
ATOM 0 HD21 LEU A 12 14.884 0.363 6.646 1.00 1.05 H new
ATOM 0 HD22 LEU A 12 14.863 1.915 7.517 1.00 1.05 H new
ATOM 0 HD23 LEU A 12 13.710 1.622 6.194 1.00 1.05 H new
ATOM 114 N VAL A 13 14.427 5.735 3.453 1.00 0.01 N
ATOM 115 CA VAL A 13 14.445 7.114 2.984 1.00 0.01 C
ATOM 116 C VAL A 13 13.052 7.731 3.038 1.00 0.01 C
ATOM 117 O VAL A 13 12.857 8.797 3.622 1.00 0.01 O
ATOM 118 CB VAL A 13 14.979 7.210 1.544 1.00 0.01 C
ATOM 119 CG1 VAL A 13 15.006 8.659 1.084 1.00 0.01 C
ATOM 120 CG2 VAL A 13 16.361 6.583 1.443 1.00 0.01 C
ATOM 0 H VAL A 13 14.713 5.048 2.755 1.00 0.01 H new
ATOM 0 HA VAL A 13 15.110 7.665 3.649 1.00 0.01 H new
ATOM 0 HB VAL A 13 14.308 6.656 0.888 1.00 0.01 H new
ATOM 0 HG11 VAL A 13 15.386 8.710 0.064 1.00 0.01 H new
ATOM 0 HG12 VAL A 13 13.997 9.070 1.116 1.00 0.01 H new
ATOM 0 HG13 VAL A 13 15.654 9.238 1.742 1.00 0.01 H new
ATOM 0 HG21 VAL A 13 16.722 6.661 0.417 1.00 0.01 H new
ATOM 0 HG22 VAL A 13 17.047 7.106 2.109 1.00 0.01 H new
ATOM 0 HG23 VAL A 13 16.306 5.533 1.730 1.00 0.01 H new
ATOM 130 N VAL A 14 12.087 7.053 2.426 1.00 0.01 N
ATOM 131 CA VAL A 14 10.712 7.535 2.404 1.00 0.01 C
ATOM 132 C VAL A 14 10.170 7.709 3.818 1.00 0.01 C
ATOM 133 O VAL A 14 9.427 8.651 4.097 1.00 0.01 O
ATOM 134 CB VAL A 14 9.791 6.574 1.630 1.00 0.01 C
ATOM 135 CG1 VAL A 14 8.341 7.017 1.743 1.00 0.01 C
ATOM 136 CG2 VAL A 14 10.217 6.483 0.172 1.00 0.01 C
ATOM 0 H VAL A 14 12.232 6.169 1.939 1.00 0.01 H new
ATOM 0 HA VAL A 14 10.724 8.501 1.899 1.00 0.01 H new
ATOM 0 HB VAL A 14 9.879 5.582 2.072 1.00 0.01 H new
ATOM 0 HG11 VAL A 14 7.705 6.326 1.190 1.00 0.01 H new
ATOM 0 HG12 VAL A 14 8.043 7.024 2.792 1.00 0.01 H new
ATOM 0 HG13 VAL A 14 8.234 8.020 1.329 1.00 0.01 H new
ATOM 0 HG21 VAL A 14 9.554 5.799 -0.359 1.00 0.01 H new
ATOM 0 HG22 VAL A 14 10.161 7.471 -0.286 1.00 0.01 H new
ATOM 0 HG23 VAL A 14 11.241 6.114 0.114 1.00 0.01 H new
ATOM 146 N ASP A 15 10.546 6.796 4.707 1.00 0.01 N
ATOM 147 CA ASP A 15 10.098 6.847 6.093 1.00 0.01 C
ATOM 148 C ASP A 15 10.760 8.004 6.835 1.00 0.01 C
ATOM 149 O ASP A 15 10.088 8.797 7.494 1.00 0.01 O
ATOM 150 CB ASP A 15 10.410 5.527 6.800 1.00 0.01 C
ATOM 151 CG ASP A 15 9.817 5.463 8.194 1.00 0.01 C
ATOM 152 OD1 ASP A 15 9.236 6.474 8.640 1.00 1.09 O
ATOM 153 OD2 ASP A 15 9.934 4.400 8.840 1.00 1.10 O
ATOM 0 H ASP A 15 11.161 6.011 4.492 1.00 0.01 H new
ATOM 0 HA ASP A 15 9.020 7.006 6.096 1.00 0.01 H new
ATOM 0 HB2 ASP A 15 10.023 4.699 6.205 1.00 0.01 H new
ATOM 0 HB3 ASP A 15 11.491 5.398 6.862 1.00 0.01 H new
ATOM 158 N PHE A 16 12.081 8.094 6.722 1.00 0.01 N
ATOM 159 CA PHE A 16 12.834 9.154 7.382 1.00 0.01 C
ATOM 160 C PHE A 16 12.391 10.526 6.883 1.00 0.01 C
ATOM 161 O PHE A 16 12.162 11.441 7.674 1.00 0.01 O
ATOM 162 CB PHE A 16 14.333 8.970 7.140 1.00 0.01 C
ATOM 163 CG PHE A 16 15.189 9.926 7.919 1.00 0.01 C
ATOM 164 CD1 PHE A 16 15.390 11.221 7.469 1.00 1.12 C
ATOM 165 CD2 PHE A 16 15.794 9.529 9.101 1.00 1.13 C
ATOM 166 CE1 PHE A 16 16.178 12.103 8.184 1.00 1.12 C
ATOM 167 CE2 PHE A 16 16.583 10.407 9.820 1.00 1.13 C
ATOM 168 CZ PHE A 16 16.775 11.696 9.361 1.00 0.01 C
ATOM 0 H PHE A 16 12.652 7.446 6.180 1.00 0.01 H new
ATOM 0 HA PHE A 16 12.636 9.095 8.452 1.00 0.01 H new
ATOM 0 HB2 PHE A 16 14.612 7.949 7.402 1.00 0.01 H new
ATOM 0 HB3 PHE A 16 14.539 9.094 6.077 1.00 0.01 H new
ATOM 0 HD1 PHE A 16 14.926 11.545 6.549 1.00 1.12 H new
ATOM 0 HD2 PHE A 16 15.647 8.523 9.464 1.00 1.13 H new
ATOM 0 HE1 PHE A 16 16.327 13.110 7.823 1.00 1.12 H new
ATOM 0 HE2 PHE A 16 17.049 10.086 10.740 1.00 1.13 H new
ATOM 0 HZ PHE A 16 17.391 12.384 9.921 1.00 0.01 H new
ATOM 178 N LEU A 17 12.272 10.662 5.566 1.00 0.01 N
ATOM 179 CA LEU A 17 11.856 11.922 4.962 1.00 0.01 C
ATOM 180 C LEU A 17 10.483 12.343 5.478 1.00 0.01 C
ATOM 181 O LEU A 17 10.280 13.494 5.864 1.00 0.01 O
ATOM 182 CB LEU A 17 11.825 11.796 3.438 1.00 0.01 C
ATOM 183 CG LEU A 17 13.197 11.743 2.764 1.00 0.01 C
ATOM 184 CD1 LEU A 17 13.047 11.529 1.266 1.00 0.23 C
ATOM 185 CD2 LEU A 17 13.978 13.018 3.046 1.00 0.23 C
ATOM 0 H LEU A 17 12.458 9.915 4.897 1.00 0.01 H new
ATOM 0 HA LEU A 17 12.580 12.687 5.240 1.00 0.01 H new
ATOM 0 HB2 LEU A 17 11.273 10.894 3.175 1.00 0.01 H new
ATOM 0 HB3 LEU A 17 11.269 12.640 3.030 1.00 0.01 H new
ATOM 0 HG LEU A 17 13.752 10.901 3.177 1.00 0.01 H new
ATOM 0 HD11 LEU A 17 14.033 11.494 0.803 1.00 0.23 H new
ATOM 0 HD12 LEU A 17 12.527 10.589 1.083 1.00 0.23 H new
ATOM 0 HD13 LEU A 17 12.474 12.351 0.837 1.00 0.23 H new
ATOM 0 HD21 LEU A 17 14.952 12.963 2.559 1.00 0.23 H new
ATOM 0 HD22 LEU A 17 13.427 13.875 2.660 1.00 0.23 H new
ATOM 0 HD23 LEU A 17 14.116 13.130 4.121 1.00 0.23 H new
ATOM 197 N SER A 18 9.545 11.402 5.482 1.00 0.01 N
ATOM 198 CA SER A 18 8.191 11.674 5.951 1.00 0.01 C
ATOM 199 C SER A 18 8.204 12.136 7.405 1.00 0.01 C
ATOM 200 O SER A 18 7.518 13.090 7.770 1.00 0.02 O
ATOM 201 CB SER A 18 7.318 10.427 5.808 1.00 0.01 C
ATOM 202 OG SER A 18 8.054 9.252 6.098 0.50 1.27 O
ATOM 0 H SER A 18 9.697 10.444 5.166 1.00 0.01 H new
ATOM 0 HA SER A 18 7.773 12.472 5.337 1.00 0.01 H new
ATOM 0 HB2 SER A 18 6.463 10.499 6.480 1.00 0.01 H new
ATOM 0 HB3 SER A 18 6.922 10.371 4.794 1.00 0.01 H new
ATOM 0 HG SER A 18 8.281 8.793 5.262 0.50 1.27 H new
ATOM 208 N TYR A 19 8.990 11.452 8.230 1.00 0.01 N
ATOM 209 CA TYR A 19 9.094 11.793 9.645 1.00 0.02 C
ATOM 210 C TYR A 19 9.631 13.209 9.824 1.00 0.02 C
ATOM 211 O TYR A 19 9.194 13.942 10.711 1.00 0.02 O
ATOM 212 CB TYR A 19 10.001 10.794 10.366 1.00 0.02 C
ATOM 213 CG TYR A 19 10.286 11.165 11.805 1.00 0.02 C
ATOM 214 CD1 TYR A 19 9.292 11.087 12.772 1.00 0.91 C
ATOM 215 CD2 TYR A 19 11.550 11.591 12.195 1.00 0.90 C
ATOM 216 CE1 TYR A 19 9.549 11.425 14.087 1.00 0.91 C
ATOM 217 CE2 TYR A 19 11.814 11.930 13.508 1.00 0.90 C
ATOM 218 CZ TYR A 19 10.811 11.845 14.450 1.00 0.02 C
ATOM 219 OH TYR A 19 11.071 12.182 15.759 1.00 0.02 O
ATOM 0 H TYR A 19 9.564 10.659 7.944 1.00 0.01 H new
ATOM 0 HA TYR A 19 8.096 11.745 10.080 1.00 0.02 H new
ATOM 0 HB2 TYR A 19 9.536 9.808 10.339 1.00 0.02 H new
ATOM 0 HB3 TYR A 19 10.944 10.717 9.826 1.00 0.02 H new
ATOM 0 HD1 TYR A 19 8.303 10.757 12.492 1.00 0.91 H new
ATOM 0 HD2 TYR A 19 12.338 11.658 11.460 1.00 0.90 H new
ATOM 0 HE1 TYR A 19 8.765 11.360 14.827 1.00 0.91 H new
ATOM 0 HE2 TYR A 19 12.801 12.260 13.795 1.00 0.90 H new
ATOM 0 HH TYR A 19 11.908 12.690 15.806 1.00 0.02 H new
ATOM 229 N LYS A 20 10.581 13.587 8.974 1.00 0.02 N
ATOM 230 CA LYS A 20 11.178 14.916 9.038 1.00 0.02 C
ATOM 231 C LYS A 20 10.163 15.986 8.650 1.00 0.02 C
ATOM 232 O LYS A 20 10.105 17.053 9.262 1.00 0.02 O
ATOM 233 CB LYS A 20 12.397 14.995 8.116 1.00 0.02 C
ATOM 234 CG LYS A 20 13.345 16.133 8.457 1.00 0.02 C
ATOM 235 CD LYS A 20 14.470 15.668 9.367 1.00 0.44 C
ATOM 236 CE LYS A 20 14.273 16.160 10.792 1.00 0.86 C
ATOM 237 NZ LYS A 20 15.319 17.141 11.190 1.00 1.69 N
ATOM 0 H LYS A 20 10.953 12.992 8.234 1.00 0.02 H new
ATOM 0 HA LYS A 20 11.495 15.096 10.065 1.00 0.02 H new
ATOM 0 HB2 LYS A 20 12.942 14.052 8.166 1.00 0.02 H new
ATOM 0 HB3 LYS A 20 12.057 15.112 7.087 1.00 0.02 H new
ATOM 0 HG2 LYS A 20 13.765 16.545 7.539 1.00 0.02 H new
ATOM 0 HG3 LYS A 20 12.791 16.936 8.943 1.00 0.02 H new
ATOM 0 HD2 LYS A 20 14.518 14.579 9.360 1.00 0.44 H new
ATOM 0 HD3 LYS A 20 15.423 16.032 8.984 1.00 0.44 H new
ATOM 0 HE2 LYS A 20 13.289 16.621 10.884 1.00 0.86 H new
ATOM 0 HE3 LYS A 20 14.293 15.311 11.475 1.00 0.86 H new
ATOM 0 HZ1 LYS A 20 15.286 17.285 12.219 1.00 1.69 H new
ATOM 0 HZ2 LYS A 20 16.256 16.778 10.921 1.00 1.69 H new
ATOM 0 HZ3 LYS A 20 15.147 18.046 10.708 1.00 1.69 H new
ATOM 251 N LEU A 21 9.362 15.693 7.630 1.00 0.02 N
ATOM 252 CA LEU A 21 8.347 16.630 7.162 1.00 0.02 C
ATOM 253 C LEU A 21 7.206 16.742 8.168 1.00 0.02 C
ATOM 254 O LEU A 21 6.724 17.837 8.455 1.00 0.02 O
ATOM 255 CB LEU A 21 7.803 16.186 5.802 1.00 0.02 C
ATOM 256 CG LEU A 21 8.824 16.186 4.664 0.50 0.01 C
ATOM 257 CD1 LEU A 21 8.464 15.137 3.624 0.50 1.04 C
ATOM 258 CD2 LEU A 21 8.909 17.565 4.026 0.50 1.05 C
ATOM 0 H LEU A 21 9.396 14.815 7.112 1.00 0.02 H new
ATOM 0 HA LEU A 21 8.812 17.610 7.057 1.00 0.02 H new
ATOM 0 HB2 LEU A 21 7.394 15.181 5.902 1.00 0.02 H new
ATOM 0 HB3 LEU A 21 6.976 16.841 5.527 1.00 0.02 H new
ATOM 0 HG LEU A 21 9.801 15.937 5.077 0.50 0.01 H new
ATOM 0 HD11 LEU A 21 9.202 15.152 2.822 0.50 1.04 H new
ATOM 0 HD12 LEU A 21 8.454 14.152 4.090 0.50 1.04 H new
ATOM 0 HD13 LEU A 21 7.478 15.355 3.214 0.50 1.04 H new
ATOM 0 HD21 LEU A 21 9.640 17.548 3.218 0.50 1.05 H new
ATOM 0 HD22 LEU A 21 7.933 17.842 3.627 0.50 1.05 H new
ATOM 0 HD23 LEU A 21 9.214 18.295 4.776 0.50 1.05 H new
ATOM 270 N SER A 22 6.781 15.601 8.700 1.00 0.02 N
ATOM 271 CA SER A 22 5.697 15.570 9.675 1.00 0.02 C
ATOM 272 C SER A 22 6.049 16.398 10.908 1.00 0.02 C
ATOM 273 O SER A 22 5.172 16.972 11.554 1.00 0.02 O
ATOM 274 CB SER A 22 5.393 14.128 10.085 1.00 0.02 C
ATOM 275 OG SER A 22 4.054 13.994 10.530 1.00 1.03 O
ATOM 0 H SER A 22 7.170 14.686 8.473 1.00 0.02 H new
ATOM 0 HA SER A 22 4.811 16.003 9.210 1.00 0.02 H new
ATOM 0 HB2 SER A 22 5.567 13.462 9.240 1.00 0.02 H new
ATOM 0 HB3 SER A 22 6.075 13.821 10.878 1.00 0.02 H new
ATOM 0 HG SER A 22 3.886 13.063 10.784 1.00 1.03 H new
ATOM 281 N GLN A 23 7.337 16.453 11.228 1.00 0.02 N
ATOM 282 CA GLN A 23 7.807 17.209 12.383 1.00 0.02 C
ATOM 283 C GLN A 23 7.562 18.704 12.202 1.00 0.03 C
ATOM 284 O GLN A 23 7.388 19.435 13.178 1.00 0.03 O
ATOM 285 CB GLN A 23 9.297 16.951 12.613 1.00 0.02 C
ATOM 286 CG GLN A 23 9.587 16.112 13.847 1.00 0.03 C
ATOM 287 CD GLN A 23 10.741 16.659 14.664 1.00 1.38 C
ATOM 288 OE1 GLN A 23 11.636 17.316 14.134 1.00 2.36 O
ATOM 289 NE2 GLN A 23 10.725 16.388 15.964 1.00 1.89 N
ATOM 0 H GLN A 23 8.075 15.983 10.704 1.00 0.02 H new
ATOM 0 HA GLN A 23 7.244 16.874 13.254 1.00 0.02 H new
ATOM 0 HB2 GLN A 23 9.709 16.449 11.738 1.00 0.02 H new
ATOM 0 HB3 GLN A 23 9.813 17.907 12.705 1.00 0.02 H new
ATOM 0 HG2 GLN A 23 8.694 16.068 14.470 1.00 0.03 H new
ATOM 0 HG3 GLN A 23 9.814 15.090 13.542 1.00 0.03 H new
ATOM 0 HE21 GLN A 23 9.962 15.839 16.361 1.00 1.89 H new
ATOM 0 HE22 GLN A 23 11.475 16.729 16.565 1.00 1.89 H new
ATOM 298 N LYS A 24 7.555 19.157 10.952 1.00 0.02 N
ATOM 299 CA LYS A 24 7.338 20.570 10.655 1.00 0.03 C
ATOM 300 C LYS A 24 5.892 20.847 10.240 1.00 0.03 C
ATOM 301 O LYS A 24 5.606 21.873 9.623 1.00 0.03 O
ATOM 302 CB LYS A 24 8.292 21.030 9.552 1.00 0.02 C
ATOM 303 CG LYS A 24 9.747 20.683 9.821 1.00 0.02 C
ATOM 304 CD LYS A 24 10.321 21.523 10.951 1.00 0.34 C
ATOM 305 CE LYS A 24 11.642 20.959 11.449 1.00 0.97 C
ATOM 306 NZ LYS A 24 12.748 21.948 11.331 1.00 1.42 N
ATOM 0 H LYS A 24 7.697 18.569 10.131 1.00 0.02 H new
ATOM 0 HA LYS A 24 7.538 21.132 11.567 1.00 0.03 H new
ATOM 0 HB2 LYS A 24 7.988 20.577 8.608 1.00 0.02 H new
ATOM 0 HB3 LYS A 24 8.201 22.110 9.432 1.00 0.02 H new
ATOM 0 HG2 LYS A 24 9.829 19.626 10.074 1.00 0.02 H new
ATOM 0 HG3 LYS A 24 10.333 20.840 8.915 1.00 0.02 H new
ATOM 0 HD2 LYS A 24 10.468 22.547 10.606 1.00 0.34 H new
ATOM 0 HD3 LYS A 24 9.608 21.563 11.774 1.00 0.34 H new
ATOM 0 HE2 LYS A 24 11.537 20.654 12.490 1.00 0.97 H new
ATOM 0 HE3 LYS A 24 11.893 20.064 10.879 1.00 0.97 H new
ATOM 0 HZ1 LYS A 24 13.631 21.525 11.681 1.00 1.42 H new
ATOM 0 HZ2 LYS A 24 12.866 22.220 10.334 1.00 1.42 H new
ATOM 0 HZ3 LYS A 24 12.521 22.792 11.895 1.00 1.42 H new
ATOM 320 N GLY A 25 4.980 19.939 10.584 1.00 0.03 N
ATOM 321 CA GLY A 25 3.582 20.128 10.237 1.00 0.03 C
ATOM 322 C GLY A 25 3.205 19.481 8.916 1.00 0.02 C
ATOM 323 O GLY A 25 2.132 18.891 8.794 1.00 0.02 O
ATOM 0 H GLY A 25 5.184 19.080 11.095 1.00 0.03 H new
ATOM 0 HA2 GLY A 25 2.958 19.714 11.029 1.00 0.03 H new
ATOM 0 HA3 GLY A 25 3.367 21.195 10.187 1.00 0.03 H new
ATOM 327 N TYR A 26 4.083 19.595 7.924 1.00 0.02 N
ATOM 328 CA TYR A 26 3.828 19.019 6.607 1.00 0.02 C
ATOM 329 C TYR A 26 3.478 17.537 6.712 1.00 0.02 C
ATOM 330 O TYR A 26 3.390 16.984 7.807 1.00 0.02 O
ATOM 331 CB TYR A 26 5.048 19.202 5.702 1.00 0.02 C
ATOM 332 CG TYR A 26 5.495 20.640 5.567 1.00 0.02 C
ATOM 333 CD1 TYR A 26 4.568 21.667 5.443 1.00 0.90 C
ATOM 334 CD2 TYR A 26 6.845 20.970 5.562 1.00 0.89 C
ATOM 335 CE1 TYR A 26 4.974 22.983 5.317 1.00 0.91 C
ATOM 336 CE2 TYR A 26 7.258 22.282 5.437 1.00 0.90 C
ATOM 337 CZ TYR A 26 6.319 23.285 5.315 1.00 0.02 C
ATOM 338 OH TYR A 26 6.727 24.593 5.190 1.00 0.03 O
ATOM 0 H TYR A 26 4.976 20.080 8.006 1.00 0.02 H new
ATOM 0 HA TYR A 26 2.977 19.543 6.172 1.00 0.02 H new
ATOM 0 HB2 TYR A 26 5.874 18.610 6.096 1.00 0.02 H new
ATOM 0 HB3 TYR A 26 4.817 18.808 4.712 1.00 0.02 H new
ATOM 0 HD1 TYR A 26 3.513 21.434 5.445 1.00 0.90 H new
ATOM 0 HD2 TYR A 26 7.583 20.188 5.657 1.00 0.89 H new
ATOM 0 HE1 TYR A 26 4.241 23.770 5.221 1.00 0.91 H new
ATOM 0 HE2 TYR A 26 8.311 22.521 5.435 1.00 0.90 H new
ATOM 0 HH TYR A 26 7.692 24.652 5.351 1.00 0.03 H new
ATOM 348 N SER A 27 3.280 16.900 5.562 1.00 0.02 N
ATOM 349 CA SER A 27 2.941 15.482 5.523 1.00 0.02 C
ATOM 350 C SER A 27 3.284 14.879 4.165 1.00 0.02 C
ATOM 351 O SER A 27 3.480 15.599 3.186 1.00 0.02 O
ATOM 352 CB SER A 27 1.453 15.283 5.822 1.00 0.02 C
ATOM 353 OG SER A 27 0.721 16.473 5.583 0.50 1.09 O
ATOM 0 H SER A 27 3.348 17.343 4.646 1.00 0.02 H new
ATOM 0 HA SER A 27 3.529 14.972 6.286 1.00 0.02 H new
ATOM 0 HB2 SER A 27 1.058 14.479 5.201 1.00 0.02 H new
ATOM 0 HB3 SER A 27 1.325 14.976 6.860 1.00 0.02 H new
ATOM 0 HG SER A 27 -0.227 16.319 5.780 0.50 1.09 H new
ATOM 359 N ALA A 28 3.354 13.552 4.112 1.00 0.02 N
ATOM 360 CA ALA A 28 3.674 12.854 2.873 1.00 0.01 C
ATOM 361 C ALA A 28 3.450 11.352 3.014 1.00 0.01 C
ATOM 362 O ALA A 28 2.912 10.886 4.018 1.00 0.02 O
ATOM 363 CB ALA A 28 5.111 13.138 2.464 1.00 0.01 C
ATOM 0 H ALA A 28 3.193 12.940 4.912 1.00 0.02 H new
ATOM 0 HA ALA A 28 3.006 13.223 2.095 1.00 0.01 H new
ATOM 0 HB1 ALA A 28 5.337 12.610 1.537 1.00 0.01 H new
ATOM 0 HB2 ALA A 28 5.241 14.210 2.313 1.00 0.01 H new
ATOM 0 HB3 ALA A 28 5.787 12.798 3.249 1.00 0.01 H new
ATOM 369 N GLY A 29 3.866 10.599 2.000 1.00 0.01 N
ATOM 370 CA GLY A 29 3.701 9.158 2.030 1.00 0.01 C
ATOM 371 C GLY A 29 4.483 8.508 3.155 1.00 0.01 C
ATOM 372 O GLY A 29 5.598 8.029 2.949 1.00 0.01 O
ATOM 0 H GLY A 29 4.314 10.962 1.159 1.00 0.01 H new
ATOM 0 HA2 GLY A 29 2.643 8.919 2.141 1.00 0.01 H new
ATOM 0 HA3 GLY A 29 4.024 8.738 1.077 1.00 0.01 H new
ATOM 376 N GLY A 30 3.897 8.491 4.348 1.00 0.02 N
ATOM 377 CA GLY A 30 4.559 7.892 5.492 1.00 0.02 C
ATOM 378 C GLY A 30 4.971 6.455 5.238 1.00 0.02 C
ATOM 379 O GLY A 30 4.472 5.814 4.314 1.00 0.02 O
ATOM 0 H GLY A 30 2.975 8.882 4.543 1.00 0.02 H new
ATOM 0 HA2 GLY A 30 5.441 8.480 5.746 1.00 0.02 H new
ATOM 0 HA3 GLY A 30 3.892 7.929 6.354 1.00 0.02 H new
ATOM 383 N GLY A 31 5.882 5.949 6.062 1.00 0.01 N
ATOM 384 CA GLY A 31 6.345 4.583 5.908 1.00 0.01 C
ATOM 385 C GLY A 31 6.714 3.942 7.231 1.00 0.02 C
ATOM 386 O GLY A 31 7.666 3.165 7.308 1.00 0.01 O
ATOM 0 H GLY A 31 6.308 6.461 6.834 1.00 0.01 H new
ATOM 0 HA2 GLY A 31 5.567 3.991 5.426 1.00 0.01 H new
ATOM 0 HA3 GLY A 31 7.212 4.569 5.247 1.00 0.01 H new
ATOM 390 N GLY A 32 5.959 4.268 8.275 1.00 0.02 N
ATOM 391 CA GLY A 32 6.228 3.710 9.588 1.00 0.02 C
ATOM 392 C GLY A 32 5.340 2.522 9.905 1.00 0.02 C
ATOM 393 O GLY A 32 4.563 2.557 10.859 1.00 0.02 O
ATOM 0 H GLY A 32 5.166 4.908 8.236 1.00 0.02 H new
ATOM 0 HA2 GLY A 32 7.273 3.404 9.642 1.00 0.02 H new
ATOM 0 HA3 GLY A 32 6.082 4.481 10.344 1.00 0.02 H new
ATOM 397 N GLY A 33 5.457 1.468 9.104 1.00 0.02 N
ATOM 398 CA GLY A 33 4.654 0.280 9.321 1.00 0.02 C
ATOM 399 C GLY A 33 4.430 -0.509 8.046 1.00 0.02 C
ATOM 400 O GLY A 33 4.247 -1.726 8.085 1.00 0.02 O
ATOM 0 H GLY A 33 6.094 1.416 8.309 1.00 0.02 H new
ATOM 0 HA2 GLY A 33 5.144 -0.357 10.057 1.00 0.02 H new
ATOM 0 HA3 GLY A 33 3.690 0.568 9.740 1.00 0.02 H new
ATOM 404 N GLY A 34 4.444 0.185 6.912 1.00 0.02 N
ATOM 405 CA GLY A 34 4.240 -0.476 5.637 1.00 0.02 C
ATOM 406 C GLY A 34 5.109 -1.707 5.475 1.00 0.02 C
ATOM 407 O GLY A 34 4.668 -2.825 5.740 1.00 0.02 O
ATOM 0 H GLY A 34 4.593 1.192 6.854 1.00 0.02 H new
ATOM 0 HA2 GLY A 34 3.192 -0.760 5.543 1.00 0.02 H new
ATOM 0 HA3 GLY A 34 4.454 0.225 4.830 1.00 0.02 H new
ATOM 411 N GLY A 35 6.348 -1.502 5.040 1.00 0.02 N
ATOM 412 CA GLY A 35 7.261 -2.613 4.852 1.00 0.02 C
ATOM 413 C GLY A 35 7.775 -3.170 6.165 1.00 0.02 C
ATOM 414 O GLY A 35 7.063 -3.170 7.169 1.00 0.02 O
ATOM 0 H GLY A 35 6.736 -0.586 4.814 1.00 0.02 H new
ATOM 0 HA2 GLY A 35 6.756 -3.404 4.298 1.00 0.02 H new
ATOM 0 HA3 GLY A 35 8.105 -2.287 4.244 1.00 0.02 H new
ATOM 418 N GLY A 36 9.017 -3.645 6.158 1.00 0.02 N
ATOM 419 CA GLY A 36 9.605 -4.200 7.363 1.00 0.02 C
ATOM 420 C GLY A 36 10.686 -3.310 7.944 1.00 0.02 C
ATOM 421 O GLY A 36 10.687 -2.099 7.723 1.00 0.02 O
ATOM 0 H GLY A 36 9.626 -3.655 5.340 1.00 0.02 H new
ATOM 0 HA2 GLY A 36 8.824 -4.351 8.108 1.00 0.02 H new
ATOM 0 HA3 GLY A 36 10.027 -5.180 7.140 1.00 0.02 H new
ATOM 425 N MET A 37 11.608 -3.911 8.689 1.00 0.02 N
ATOM 426 CA MET A 37 12.699 -3.165 9.304 1.00 0.01 C
ATOM 427 C MET A 37 12.162 -2.050 10.195 1.00 0.01 C
ATOM 428 O MET A 37 12.722 -0.954 10.242 1.00 0.01 O
ATOM 429 CB MET A 37 13.613 -2.577 8.227 1.00 0.01 C
ATOM 430 CG MET A 37 14.096 -3.602 7.214 1.00 0.01 C
ATOM 431 SD MET A 37 15.788 -3.296 6.670 1.00 1.59 S
ATOM 432 CE MET A 37 16.585 -4.821 7.167 1.00 1.66 C
ATOM 0 H MET A 37 11.621 -4.913 8.881 1.00 0.02 H new
ATOM 0 HA MET A 37 13.274 -3.854 9.922 1.00 0.01 H new
ATOM 0 HB2 MET A 37 13.080 -1.784 7.703 1.00 0.01 H new
ATOM 0 HB3 MET A 37 14.477 -2.117 8.707 1.00 0.01 H new
ATOM 0 HG2 MET A 37 14.034 -4.598 7.653 1.00 0.01 H new
ATOM 0 HG3 MET A 37 13.433 -3.593 6.349 1.00 0.01 H new
ATOM 0 HE1 MET A 37 17.640 -4.785 6.897 1.00 1.66 H new
ATOM 0 HE2 MET A 37 16.490 -4.946 8.246 1.00 1.66 H new
ATOM 0 HE3 MET A 37 16.110 -5.661 6.661 1.00 1.66 H new
ATOM 442 N ALA A 38 11.072 -2.336 10.900 1.00 0.02 N
ATOM 443 CA ALA A 38 10.459 -1.357 11.790 1.00 0.02 C
ATOM 444 C ALA A 38 11.459 -0.853 12.824 1.00 0.02 C
ATOM 445 O ALA A 38 11.464 0.328 13.173 1.00 0.02 O
ATOM 446 CB ALA A 38 9.244 -1.960 12.479 1.00 0.02 C
ATOM 0 H ALA A 38 10.595 -3.237 10.872 1.00 0.02 H new
ATOM 0 HA ALA A 38 10.138 -0.506 11.189 1.00 0.02 H new
ATOM 0 HB1 ALA A 38 8.796 -1.219 13.141 1.00 0.02 H new
ATOM 0 HB2 ALA A 38 8.515 -2.265 11.729 1.00 0.02 H new
ATOM 0 HB3 ALA A 38 9.550 -2.829 13.062 1.00 0.02 H new
ATOM 452 N ALA A 89 12.305 -1.755 13.311 1.00 0.02 N
ATOM 453 CA ALA A 89 13.311 -1.401 14.305 1.00 0.01 C
ATOM 454 C ALA A 89 14.324 -0.415 13.733 1.00 0.01 C
ATOM 455 O ALA A 89 14.683 0.567 14.382 1.00 0.01 O
ATOM 456 CB ALA A 89 14.015 -2.651 14.810 1.00 0.02 C
ATOM 0 H ALA A 89 12.314 -2.736 13.033 1.00 0.02 H new
ATOM 0 HA ALA A 89 12.806 -0.918 15.142 1.00 0.01 H new
ATOM 0 HB1 ALA A 89 14.764 -2.372 15.552 1.00 0.02 H new
ATOM 0 HB2 ALA A 89 13.285 -3.321 15.265 1.00 0.02 H new
ATOM 0 HB3 ALA A 89 14.501 -3.157 13.976 1.00 0.02 H new
ATOM 462 N VAL A 90 14.781 -0.685 12.515 1.00 0.01 N
ATOM 463 CA VAL A 90 15.754 0.178 11.855 1.00 0.01 C
ATOM 464 C VAL A 90 15.202 1.587 11.668 1.00 0.01 C
ATOM 465 O VAL A 90 15.887 2.573 11.935 1.00 0.01 O
ATOM 466 CB VAL A 90 16.165 -0.386 10.483 1.00 0.01 C
ATOM 467 CG1 VAL A 90 17.238 0.484 9.847 1.00 0.01 C
ATOM 468 CG2 VAL A 90 16.645 -1.823 10.619 1.00 0.01 C
ATOM 0 H VAL A 90 14.493 -1.494 11.965 1.00 0.01 H new
ATOM 0 HA VAL A 90 16.631 0.217 12.501 1.00 0.01 H new
ATOM 0 HB VAL A 90 15.291 -0.379 9.831 1.00 0.01 H new
ATOM 0 HG11 VAL A 90 17.516 0.069 8.878 1.00 0.01 H new
ATOM 0 HG12 VAL A 90 16.854 1.495 9.712 1.00 0.01 H new
ATOM 0 HG13 VAL A 90 18.115 0.512 10.494 1.00 0.01 H new
ATOM 0 HG21 VAL A 90 16.931 -2.205 9.639 1.00 0.01 H new
ATOM 0 HG22 VAL A 90 17.505 -1.858 11.288 1.00 0.01 H new
ATOM 0 HG23 VAL A 90 15.843 -2.437 11.028 1.00 0.01 H new
ATOM 478 N LYS A 91 13.958 1.674 11.207 1.00 0.01 N
ATOM 479 CA LYS A 91 13.315 2.964 10.985 1.00 0.01 C
ATOM 480 C LYS A 91 13.289 3.786 12.269 1.00 0.01 C
ATOM 481 O LYS A 91 13.679 4.953 12.279 1.00 0.01 O
ATOM 482 CB LYS A 91 11.891 2.764 10.463 1.00 0.01 C
ATOM 483 CG LYS A 91 11.834 2.187 9.058 1.00 0.01 C
ATOM 484 CD LYS A 91 10.494 1.524 8.783 1.00 0.25 C
ATOM 485 CE LYS A 91 10.294 1.269 7.297 1.00 0.18 C
ATOM 486 NZ LYS A 91 9.157 0.342 7.041 1.00 0.84 N
ATOM 0 H LYS A 91 13.376 0.868 10.980 1.00 0.01 H new
ATOM 0 HA LYS A 91 13.894 3.508 10.239 1.00 0.01 H new
ATOM 0 HB2 LYS A 91 11.354 2.101 11.141 1.00 0.01 H new
ATOM 0 HB3 LYS A 91 11.371 3.722 10.475 1.00 0.01 H new
ATOM 0 HG2 LYS A 91 12.005 2.980 8.330 1.00 0.01 H new
ATOM 0 HG3 LYS A 91 12.635 1.459 8.930 1.00 0.01 H new
ATOM 0 HD2 LYS A 91 10.435 0.581 9.326 1.00 0.25 H new
ATOM 0 HD3 LYS A 91 9.690 2.158 9.156 1.00 0.25 H new
ATOM 0 HE2 LYS A 91 10.113 2.215 6.787 1.00 0.18 H new
ATOM 0 HE3 LYS A 91 11.207 0.849 6.875 1.00 0.18 H new
ATOM 0 HZ1 LYS A 91 8.857 0.427 6.049 1.00 0.84 H new
ATOM 0 HZ2 LYS A 91 9.457 -0.636 7.230 1.00 0.84 H new
ATOM 0 HZ3 LYS A 91 8.362 0.587 7.665 1.00 0.84 H new
ATOM 500 N GLN A 92 12.828 3.169 13.352 1.00 0.01 N
ATOM 501 CA GLN A 92 12.753 3.844 14.643 1.00 0.02 C
ATOM 502 C GLN A 92 14.134 4.307 15.094 1.00 0.01 C
ATOM 503 O GLN A 92 14.343 5.488 15.372 1.00 0.02 O
ATOM 504 CB GLN A 92 12.146 2.914 15.695 1.00 0.02 C
ATOM 505 CG GLN A 92 11.871 3.597 17.024 1.00 0.02 C
ATOM 506 CD GLN A 92 10.479 3.307 17.552 1.00 0.88 C
ATOM 507 OE1 GLN A 92 9.492 3.414 16.824 1.00 1.67 O
ATOM 508 NE2 GLN A 92 10.394 2.939 18.825 1.00 1.11 N
ATOM 0 H GLN A 92 12.501 2.203 13.362 1.00 0.01 H new
ATOM 0 HA GLN A 92 12.113 4.719 14.531 1.00 0.02 H new
ATOM 0 HB2 GLN A 92 11.214 2.501 15.309 1.00 0.02 H new
ATOM 0 HB3 GLN A 92 12.822 2.075 15.860 1.00 0.02 H new
ATOM 0 HG2 GLN A 92 12.609 3.269 17.756 1.00 0.02 H new
ATOM 0 HG3 GLN A 92 11.994 4.674 16.907 1.00 0.02 H new
ATOM 0 HE21 GLN A 92 11.239 2.863 19.392 1.00 1.11 H new
ATOM 0 HE22 GLN A 92 9.484 2.732 19.236 1.00 1.11 H new
ATOM 517 N ALA A 93 15.073 3.370 15.165 1.00 0.01 N
ATOM 518 CA ALA A 93 16.434 3.683 15.582 1.00 0.01 C
ATOM 519 C ALA A 93 17.004 4.839 14.767 1.00 0.01 C
ATOM 520 O ALA A 93 17.743 5.674 15.288 1.00 0.01 O
ATOM 521 CB ALA A 93 17.322 2.455 15.453 1.00 0.01 C
ATOM 0 H ALA A 93 14.916 2.388 14.939 1.00 0.01 H new
ATOM 0 HA ALA A 93 16.406 3.988 16.628 1.00 0.01 H new
ATOM 0 HB1 ALA A 93 18.335 2.704 15.768 1.00 0.01 H new
ATOM 0 HB2 ALA A 93 16.932 1.656 16.084 1.00 0.01 H new
ATOM 0 HB3 ALA A 93 17.336 2.124 14.415 1.00 0.01 H new
ATOM 527 N LEU A 94 16.653 4.882 13.486 1.00 0.01 N
ATOM 528 CA LEU A 94 17.128 5.938 12.600 1.00 0.01 C
ATOM 529 C LEU A 94 16.506 7.279 12.975 1.00 0.01 C
ATOM 530 O LEU A 94 17.211 8.266 13.181 1.00 0.01 O
ATOM 531 CB LEU A 94 16.801 5.598 11.144 1.00 0.01 C
ATOM 532 CG LEU A 94 17.614 6.367 10.101 1.00 0.01 C
ATOM 533 CD1 LEU A 94 19.074 5.944 10.145 1.00 0.18 C
ATOM 534 CD2 LEU A 94 17.036 6.151 8.711 1.00 0.18 C
ATOM 0 H LEU A 94 16.042 4.199 13.039 1.00 0.01 H new
ATOM 0 HA LEU A 94 18.210 6.015 12.712 1.00 0.01 H new
ATOM 0 HB2 LEU A 94 16.960 4.531 10.992 1.00 0.01 H new
ATOM 0 HB3 LEU A 94 15.742 5.790 10.971 1.00 0.01 H new
ATOM 0 HG LEU A 94 17.558 7.430 10.335 1.00 0.01 H new
ATOM 0 HD11 LEU A 94 19.637 6.501 9.396 1.00 0.18 H new
ATOM 0 HD12 LEU A 94 19.483 6.150 11.134 1.00 0.18 H new
ATOM 0 HD13 LEU A 94 19.150 4.877 9.936 1.00 0.18 H new
ATOM 0 HD21 LEU A 94 17.626 6.705 7.981 1.00 0.18 H new
ATOM 0 HD22 LEU A 94 17.062 5.089 8.467 1.00 0.18 H new
ATOM 0 HD23 LEU A 94 16.005 6.504 8.687 1.00 0.18 H new
ATOM 546 N ARG A 95 15.180 7.305 13.064 1.00 0.01 N
ATOM 547 CA ARG A 95 14.462 8.525 13.417 1.00 0.02 C
ATOM 548 C ARG A 95 15.051 9.155 14.674 1.00 0.02 C
ATOM 549 O ARG A 95 15.329 10.354 14.707 1.00 0.02 O
ATOM 550 CB ARG A 95 12.977 8.226 13.630 1.00 0.02 C
ATOM 551 CG ARG A 95 12.219 7.955 12.341 1.00 0.01 C
ATOM 552 CD ARG A 95 11.062 6.996 12.566 1.00 0.19 C
ATOM 553 NE ARG A 95 9.841 7.694 12.963 1.00 0.87 N
ATOM 554 CZ ARG A 95 8.682 7.085 13.206 1.00 1.10 C
ATOM 555 NH1 ARG A 95 8.577 5.765 13.096 1.00 0.87 N
ATOM 556 NH2 ARG A 95 7.623 7.799 13.562 1.00 1.88 N
ATOM 0 H ARG A 95 14.581 6.496 12.897 1.00 0.01 H new
ATOM 0 HA ARG A 95 14.567 9.231 12.593 1.00 0.02 H new
ATOM 0 HB2 ARG A 95 12.880 7.362 14.287 1.00 0.02 H new
ATOM 0 HB3 ARG A 95 12.515 9.070 14.143 1.00 0.02 H new
ATOM 0 HG2 ARG A 95 11.841 8.894 11.936 1.00 0.01 H new
ATOM 0 HG3 ARG A 95 12.899 7.538 11.598 1.00 0.01 H new
ATOM 0 HD2 ARG A 95 10.876 6.432 11.652 1.00 0.19 H new
ATOM 0 HD3 ARG A 95 11.334 6.274 13.336 1.00 0.19 H new
ATOM 0 HE ARG A 95 9.879 8.709 13.060 1.00 0.87 H new
ATOM 0 HH11 ARG A 95 9.388 5.210 12.824 1.00 0.87 H new
ATOM 0 HH12 ARG A 95 7.685 5.307 13.284 1.00 0.87 H new
ATOM 0 HH21 ARG A 95 7.697 8.813 13.649 1.00 1.88 H new
ATOM 0 HH22 ARG A 95 6.734 7.335 13.749 1.00 1.88 H new
ATOM 570 N GLU A 96 15.241 8.339 15.706 1.00 0.02 N
ATOM 571 CA GLU A 96 15.800 8.819 16.964 1.00 0.02 C
ATOM 572 C GLU A 96 17.214 9.351 16.760 1.00 0.02 C
ATOM 573 O GLU A 96 17.556 10.433 17.237 1.00 0.02 O
ATOM 574 CB GLU A 96 15.812 7.696 18.004 1.00 0.02 C
ATOM 575 CG GLU A 96 14.444 7.080 18.249 1.00 0.02 C
ATOM 576 CD GLU A 96 13.912 7.378 19.637 1.00 0.85 C
ATOM 577 OE1 GLU A 96 14.694 7.284 20.606 1.00 1.88 O
ATOM 578 OE2 GLU A 96 12.712 7.705 19.754 1.00 1.21 O
ATOM 0 H GLU A 96 15.016 7.344 15.696 1.00 0.02 H new
ATOM 0 HA GLU A 96 15.171 9.633 17.326 1.00 0.02 H new
ATOM 0 HB2 GLU A 96 16.499 6.916 17.676 1.00 0.02 H new
ATOM 0 HB3 GLU A 96 16.199 8.087 18.945 1.00 0.02 H new
ATOM 0 HG2 GLU A 96 13.741 7.457 17.506 1.00 0.02 H new
ATOM 0 HG3 GLU A 96 14.505 6.000 18.111 1.00 0.02 H new
ATOM 585 N ALA A 97 18.031 8.585 16.044 1.00 0.02 N
ATOM 586 CA ALA A 97 19.407 8.981 15.773 1.00 0.02 C
ATOM 587 C ALA A 97 19.455 10.321 15.049 1.00 0.02 C
ATOM 588 O ALA A 97 20.360 11.126 15.269 1.00 0.02 O
ATOM 589 CB ALA A 97 20.114 7.910 14.956 1.00 0.02 C
ATOM 0 H ALA A 97 17.763 7.687 15.641 1.00 0.02 H new
ATOM 0 HA ALA A 97 19.924 9.092 16.726 1.00 0.02 H new
ATOM 0 HB1 ALA A 97 21.141 8.220 14.761 1.00 0.02 H new
ATOM 0 HB2 ALA A 97 20.117 6.972 15.511 1.00 0.02 H new
ATOM 0 HB3 ALA A 97 19.592 7.770 14.010 1.00 0.02 H new
ATOM 595 N GLY A 98 18.472 10.555 14.184 1.00 0.02 N
ATOM 596 CA GLY A 98 18.419 11.800 13.442 1.00 0.02 C
ATOM 597 C GLY A 98 18.121 12.990 14.332 1.00 0.02 C
ATOM 598 O GLY A 98 18.696 14.064 14.158 1.00 0.02 O
ATOM 0 H GLY A 98 17.712 9.904 13.985 1.00 0.02 H new
ATOM 0 HA2 GLY A 98 19.371 11.958 12.935 1.00 0.02 H new
ATOM 0 HA3 GLY A 98 17.654 11.727 12.669 1.00 0.02 H new
ATOM 602 N ASP A 99 17.221 12.797 15.291 1.00 0.02 N
ATOM 603 CA ASP A 99 16.848 13.861 16.215 1.00 0.02 C
ATOM 604 C ASP A 99 18.072 14.385 16.961 1.00 0.03 C
ATOM 605 O ASP A 99 18.351 15.584 16.953 1.00 0.03 O
ATOM 606 CB ASP A 99 15.807 13.354 17.215 1.00 0.03 C
ATOM 607 CG ASP A 99 14.422 13.254 16.607 1.00 0.02 C
ATOM 608 OD1 ASP A 99 14.314 12.814 15.443 1.00 1.02 O
ATOM 609 OD2 ASP A 99 13.444 13.614 17.296 1.00 1.03 O
ATOM 0 H ASP A 99 16.737 11.913 15.448 1.00 0.02 H new
ATOM 0 HA ASP A 99 16.418 14.678 15.636 1.00 0.02 H new
ATOM 0 HB2 ASP A 99 16.110 12.375 17.585 1.00 0.03 H new
ATOM 0 HB3 ASP A 99 15.776 14.024 18.074 1.00 0.03 H new
ATOM 614 N GLU A 100 18.797 13.476 17.604 1.00 0.03 N
ATOM 615 CA GLU A 100 19.991 13.842 18.356 1.00 0.03 C
ATOM 616 C GLU A 100 21.045 14.462 17.442 1.00 0.03 C
ATOM 617 O GLU A 100 21.823 15.317 17.866 1.00 0.03 O
ATOM 618 CB GLU A 100 20.568 12.613 19.062 1.00 0.03 C
ATOM 619 CG GLU A 100 21.281 12.938 20.364 1.00 0.03 C
ATOM 620 CD GLU A 100 20.372 12.818 21.571 1.00 0.50 C
ATOM 621 OE1 GLU A 100 19.209 13.266 21.486 1.00 1.37 O
ATOM 622 OE2 GLU A 100 20.823 12.277 22.603 1.00 1.18 O
ATOM 0 H GLU A 100 18.578 12.480 17.619 1.00 0.03 H new
ATOM 0 HA GLU A 100 19.707 14.583 19.103 1.00 0.03 H new
ATOM 0 HB2 GLU A 100 19.761 11.909 19.265 1.00 0.03 H new
ATOM 0 HB3 GLU A 100 21.266 12.113 18.390 1.00 0.03 H new
ATOM 0 HG2 GLU A 100 22.131 12.267 20.486 1.00 0.03 H new
ATOM 0 HG3 GLU A 100 21.679 13.951 20.313 1.00 0.03 H new
ATOM 629 N PHE A 101 21.065 14.024 16.187 1.00 0.03 N
ATOM 630 CA PHE A 101 22.023 14.534 15.212 1.00 0.03 C
ATOM 631 C PHE A 101 22.006 16.059 15.175 1.00 0.03 C
ATOM 632 O PHE A 101 23.019 16.708 15.436 1.00 0.03 O
ATOM 633 CB PHE A 101 21.711 13.976 13.821 1.00 0.03 C
ATOM 634 CG PHE A 101 22.816 14.186 12.824 1.00 0.03 C
ATOM 635 CD1 PHE A 101 24.013 13.497 12.944 1.00 0.89 C
ATOM 636 CD2 PHE A 101 22.659 15.071 11.769 1.00 0.89 C
ATOM 637 CE1 PHE A 101 25.032 13.687 12.030 1.00 0.88 C
ATOM 638 CE2 PHE A 101 23.675 15.265 10.851 1.00 0.90 C
ATOM 639 CZ PHE A 101 24.862 14.572 10.983 1.00 0.03 C
ATOM 0 H PHE A 101 20.428 13.316 15.821 1.00 0.03 H new
ATOM 0 HA PHE A 101 23.018 14.208 15.514 1.00 0.03 H new
ATOM 0 HB2 PHE A 101 21.507 12.908 13.905 1.00 0.03 H new
ATOM 0 HB3 PHE A 101 20.802 14.446 13.446 1.00 0.03 H new
ATOM 0 HD1 PHE A 101 24.151 12.804 13.761 1.00 0.89 H new
ATOM 0 HD2 PHE A 101 21.732 15.615 11.663 1.00 0.89 H new
ATOM 0 HE1 PHE A 101 25.960 13.144 12.134 1.00 0.88 H new
ATOM 0 HE2 PHE A 101 23.540 15.957 10.033 1.00 0.90 H new
ATOM 0 HZ PHE A 101 25.657 14.722 10.268 1.00 0.03 H new
ATOM 649 N GLU A 102 20.849 16.625 14.848 1.00 0.03 N
ATOM 650 CA GLU A 102 20.699 18.074 14.775 1.00 0.03 C
ATOM 651 C GLU A 102 20.937 18.719 16.137 1.00 0.03 C
ATOM 652 O GLU A 102 21.675 19.698 16.250 1.00 0.03 O
ATOM 653 CB GLU A 102 19.303 18.437 14.265 1.00 0.03 C
ATOM 654 CG GLU A 102 18.882 17.651 13.034 1.00 0.03 C
ATOM 655 CD GLU A 102 17.970 18.446 12.121 1.00 0.79 C
ATOM 656 OE1 GLU A 102 16.923 18.929 12.601 1.00 1.78 O
ATOM 657 OE2 GLU A 102 18.302 18.586 10.925 1.00 1.21 O
ATOM 0 H GLU A 102 20.001 16.102 14.629 1.00 0.03 H new
ATOM 0 HA GLU A 102 21.446 18.455 14.079 1.00 0.03 H new
ATOM 0 HB2 GLU A 102 18.578 18.265 15.061 1.00 0.03 H new
ATOM 0 HB3 GLU A 102 19.275 19.502 14.033 1.00 0.03 H new
ATOM 0 HG2 GLU A 102 19.770 17.347 12.480 1.00 0.03 H new
ATOM 0 HG3 GLU A 102 18.373 16.739 13.346 1.00 0.03 H new
ATOM 664 N LEU A 103 20.307 18.165 17.168 1.00 0.03 N
ATOM 665 CA LEU A 103 20.449 18.688 18.523 1.00 0.03 C
ATOM 666 C LEU A 103 21.917 18.920 18.870 1.00 0.04 C
ATOM 667 O LEU A 103 22.350 20.058 19.050 1.00 0.04 O
ATOM 668 CB LEU A 103 19.821 17.725 19.531 1.00 0.03 C
ATOM 669 CG LEU A 103 19.089 18.394 20.696 1.00 0.04 C
ATOM 670 CD1 LEU A 103 17.837 17.611 21.061 1.00 1.40 C
ATOM 671 CD2 LEU A 103 20.010 18.522 21.899 1.00 1.40 C
ATOM 0 H LEU A 103 19.693 17.354 17.091 1.00 0.03 H new
ATOM 0 HA LEU A 103 19.930 19.645 18.571 1.00 0.03 H new
ATOM 0 HB2 LEU A 103 19.119 17.078 19.004 1.00 0.03 H new
ATOM 0 HB3 LEU A 103 20.604 17.083 19.934 1.00 0.03 H new
ATOM 0 HG LEU A 103 18.788 19.394 20.385 1.00 0.04 H new
ATOM 0 HD11 LEU A 103 17.330 18.102 21.891 1.00 1.40 H new
ATOM 0 HD12 LEU A 103 17.169 17.571 20.201 1.00 1.40 H new
ATOM 0 HD13 LEU A 103 18.114 16.598 21.353 1.00 1.40 H new
ATOM 0 HD21 LEU A 103 19.474 19.000 22.719 1.00 1.40 H new
ATOM 0 HD22 LEU A 103 20.341 17.531 22.211 1.00 1.40 H new
ATOM 0 HD23 LEU A 103 20.877 19.127 21.631 1.00 1.40 H new
ATOM 683 N ARG A 104 22.675 17.833 18.965 1.00 0.04 N
ATOM 684 CA ARG A 104 24.094 17.915 19.294 1.00 0.04 C
ATOM 685 C ARG A 104 24.869 18.653 18.207 1.00 0.04 C
ATOM 686 O ARG A 104 24.325 18.970 17.149 1.00 0.04 O
ATOM 687 CB ARG A 104 24.674 16.512 19.482 1.00 0.04 C
ATOM 688 CG ARG A 104 24.059 15.750 20.644 1.00 0.04 C
ATOM 689 CD ARG A 104 24.896 15.888 21.904 1.00 0.94 C
ATOM 690 NE ARG A 104 24.994 14.629 22.638 1.00 1.23 N
ATOM 691 CZ ARG A 104 25.374 14.538 23.911 1.00 1.65 C
ATOM 692 NH1 ARG A 104 25.696 15.628 24.598 1.00 1.87 N
ATOM 693 NH2 ARG A 104 25.432 13.351 24.500 1.00 2.25 N
ATOM 0 H ARG A 104 22.331 16.884 18.819 1.00 0.04 H new
ATOM 0 HA ARG A 104 24.192 18.474 20.225 1.00 0.04 H new
ATOM 0 HB2 ARG A 104 24.526 15.941 18.565 1.00 0.04 H new
ATOM 0 HB3 ARG A 104 25.750 16.591 19.639 1.00 0.04 H new
ATOM 0 HG2 ARG A 104 23.052 16.122 20.832 1.00 0.04 H new
ATOM 0 HG3 ARG A 104 23.966 14.696 20.381 1.00 0.04 H new
ATOM 0 HD2 ARG A 104 25.896 16.232 21.639 1.00 0.94 H new
ATOM 0 HD3 ARG A 104 24.458 16.650 22.549 1.00 0.94 H new
ATOM 0 HE ARG A 104 24.757 13.768 22.146 1.00 1.23 H new
ATOM 0 HH11 ARG A 104 25.653 16.544 24.151 1.00 1.87 H new
ATOM 0 HH12 ARG A 104 25.986 15.549 25.573 1.00 1.87 H new
ATOM 0 HH21 ARG A 104 25.186 12.510 23.978 1.00 2.25 H new
ATOM 0 HH22 ARG A 104 25.723 13.279 25.475 1.00 2.25 H new
ATOM 707 N TYR A 105 26.144 18.919 18.475 1.00 0.04 N
ATOM 708 CA TYR A 105 26.999 19.616 17.520 1.00 0.04 C
ATOM 709 C TYR A 105 26.559 21.065 17.345 1.00 0.06 C
ATOM 710 O TYR A 105 25.514 21.340 16.755 1.00 0.53 O
ATOM 711 CB TYR A 105 26.978 18.900 16.167 1.00 0.04 C
ATOM 712 CG TYR A 105 28.303 18.278 15.788 1.00 0.04 C
ATOM 713 CD1 TYR A 105 28.756 17.128 16.423 1.00 0.04 C
ATOM 714 CD2 TYR A 105 29.100 18.838 14.797 1.00 0.05 C
ATOM 715 CE1 TYR A 105 29.966 16.554 16.081 1.00 0.05 C
ATOM 716 CE2 TYR A 105 30.311 18.270 14.449 1.00 0.05 C
ATOM 717 CZ TYR A 105 30.739 17.129 15.094 1.00 0.05 C
ATOM 718 OH TYR A 105 31.944 16.561 14.751 1.00 0.06 O
ATOM 0 H TYR A 105 26.608 18.662 19.346 1.00 0.04 H new
ATOM 0 HA TYR A 105 28.015 19.610 17.914 1.00 0.04 H new
ATOM 0 HB2 TYR A 105 26.215 18.122 16.189 1.00 0.04 H new
ATOM 0 HB3 TYR A 105 26.686 19.611 15.394 1.00 0.04 H new
ATOM 0 HD1 TYR A 105 28.153 16.675 17.196 1.00 0.04 H new
ATOM 0 HD2 TYR A 105 28.768 19.732 14.290 1.00 0.05 H new
ATOM 0 HE1 TYR A 105 30.304 15.660 16.584 1.00 0.05 H new
ATOM 0 HE2 TYR A 105 30.919 18.717 13.676 1.00 0.05 H new
ATOM 0 HH TYR A 105 32.442 17.175 14.172 1.00 0.06 H new
ATOM 728 N ARG A 106 27.365 21.991 17.855 1.00 0.53 N
ATOM 729 CA ARG A 106 27.059 23.412 17.746 1.00 0.57 C
ATOM 730 C ARG A 106 27.128 23.861 16.291 1.00 0.53 C
ATOM 731 O ARG A 106 26.107 24.161 15.674 1.00 0.68 O
ATOM 732 CB ARG A 106 28.031 24.234 18.595 1.00 0.54 C
ATOM 733 CG ARG A 106 27.497 24.572 19.977 1.00 0.97 C
ATOM 734 CD ARG A 106 27.365 26.073 20.172 1.00 1.78 C
ATOM 735 NE ARG A 106 26.924 26.412 21.523 1.00 2.14 N
ATOM 736 CZ ARG A 106 26.953 27.644 22.029 1.00 3.02 C
ATOM 737 NH1 ARG A 106 27.400 28.662 21.302 1.00 3.68 N
ATOM 738 NH2 ARG A 106 26.533 27.860 23.269 1.00 3.55 N
ATOM 0 H ARG A 106 28.234 21.783 18.347 1.00 0.53 H new
ATOM 0 HA ARG A 106 26.047 23.575 18.115 1.00 0.57 H new
ATOM 0 HB2 ARG A 106 28.965 23.681 18.701 1.00 0.54 H new
ATOM 0 HB3 ARG A 106 28.266 25.159 18.069 1.00 0.54 H new
ATOM 0 HG2 ARG A 106 26.525 24.099 20.118 1.00 0.97 H new
ATOM 0 HG3 ARG A 106 28.164 24.163 20.736 1.00 0.97 H new
ATOM 0 HD2 ARG A 106 28.325 26.550 19.973 1.00 1.78 H new
ATOM 0 HD3 ARG A 106 26.655 26.472 19.448 1.00 1.78 H new
ATOM 0 HE ARG A 106 26.572 25.659 22.115 1.00 2.14 H new
ATOM 0 HH11 ARG A 106 27.725 28.504 20.348 1.00 3.68 H new
ATOM 0 HH12 ARG A 106 27.419 29.602 21.698 1.00 3.68 H new
ATOM 0 HH21 ARG A 106 26.189 27.083 23.833 1.00 3.55 H new
ATOM 0 HH22 ARG A 106 26.555 28.803 23.658 1.00 3.55 H new
ATOM 752 N ARG A 107 28.341 23.897 15.747 1.00 0.44 N
ATOM 753 CA ARG A 107 28.545 24.300 14.362 1.00 0.50 C
ATOM 754 C ARG A 107 28.451 23.093 13.433 1.00 0.71 C
ATOM 755 O ARG A 107 28.193 21.975 13.879 1.00 1.58 O
ATOM 756 CB ARG A 107 29.908 24.978 14.199 1.00 0.45 C
ATOM 757 CG ARG A 107 30.035 26.286 14.966 1.00 1.37 C
ATOM 758 CD ARG A 107 30.770 27.343 14.154 1.00 1.60 C
ATOM 759 NE ARG A 107 32.058 27.694 14.749 1.00 2.39 N
ATOM 760 CZ ARG A 107 32.194 28.303 15.926 1.00 2.67 C
ATOM 761 NH1 ARG A 107 31.125 28.630 16.644 1.00 2.54 N
ATOM 762 NH2 ARG A 107 33.404 28.586 16.387 1.00 3.52 N
ATOM 0 H ARG A 107 29.197 23.652 16.245 1.00 0.44 H new
ATOM 0 HA ARG A 107 27.762 25.010 14.094 1.00 0.50 H new
ATOM 0 HB2 ARG A 107 30.687 24.293 14.534 1.00 0.45 H new
ATOM 0 HB3 ARG A 107 30.085 25.169 13.141 1.00 0.45 H new
ATOM 0 HG2 ARG A 107 29.042 26.653 15.228 1.00 1.37 H new
ATOM 0 HG3 ARG A 107 30.567 26.110 15.901 1.00 1.37 H new
ATOM 0 HD2 ARG A 107 30.927 26.976 13.140 1.00 1.60 H new
ATOM 0 HD3 ARG A 107 30.151 28.237 14.077 1.00 1.60 H new
ATOM 0 HE ARG A 107 32.905 27.458 14.231 1.00 2.39 H new
ATOM 0 HH11 ARG A 107 30.191 28.415 16.295 1.00 2.54 H new
ATOM 0 HH12 ARG A 107 31.238 29.096 17.544 1.00 2.54 H new
ATOM 0 HH21 ARG A 107 34.229 28.338 15.841 1.00 3.52 H new
ATOM 0 HH22 ARG A 107 33.510 29.052 17.288 1.00 3.52 H new
ATOM 776 N ALA A 108 28.664 23.324 12.142 1.00 0.17 N
ATOM 777 CA ALA A 108 28.604 22.251 11.156 1.00 0.17 C
ATOM 778 C ALA A 108 27.232 21.586 11.148 1.00 0.41 C
ATOM 779 O ALA A 108 27.055 20.499 11.698 1.00 1.17 O
ATOM 780 CB ALA A 108 29.689 21.222 11.431 1.00 0.15 C
ATOM 0 H ALA A 108 28.879 24.243 11.754 1.00 0.17 H new
ATOM 0 HA ALA A 108 28.772 22.687 10.171 1.00 0.17 H new
ATOM 0 HB1 ALA A 108 29.633 20.427 10.688 1.00 0.15 H new
ATOM 0 HB2 ALA A 108 30.667 21.701 11.377 1.00 0.15 H new
ATOM 0 HB3 ALA A 108 29.546 20.800 12.426 1.00 0.15 H new
ATOM 786 N PHE A 109 26.265 22.245 10.520 1.00 0.26 N
ATOM 787 CA PHE A 109 24.908 21.716 10.439 1.00 0.14 C
ATOM 788 C PHE A 109 23.959 22.745 9.834 1.00 0.19 C
ATOM 789 O PHE A 109 23.292 22.477 8.834 1.00 0.16 O
ATOM 790 CB PHE A 109 24.416 21.301 11.825 1.00 0.18 C
ATOM 791 CG PHE A 109 22.994 21.701 12.102 1.00 0.22 C
ATOM 792 CD1 PHE A 109 21.944 21.053 11.472 1.00 1.05 C
ATOM 793 CD2 PHE A 109 22.709 22.724 12.992 1.00 1.30 C
ATOM 794 CE1 PHE A 109 20.635 21.419 11.724 1.00 1.09 C
ATOM 795 CE2 PHE A 109 21.403 23.094 13.248 1.00 1.49 C
ATOM 796 CZ PHE A 109 20.364 22.441 12.613 1.00 0.81 C
ATOM 0 H PHE A 109 26.395 23.146 10.060 1.00 0.26 H new
ATOM 0 HA PHE A 109 24.924 20.839 9.791 1.00 0.14 H new
ATOM 0 HB2 PHE A 109 24.507 20.219 11.925 1.00 0.18 H new
ATOM 0 HB3 PHE A 109 25.064 21.746 12.580 1.00 0.18 H new
ATOM 0 HD1 PHE A 109 22.150 20.253 10.776 1.00 1.05 H new
ATOM 0 HD2 PHE A 109 23.517 23.238 13.491 1.00 1.30 H new
ATOM 0 HE1 PHE A 109 19.825 20.906 11.226 1.00 1.09 H new
ATOM 0 HE2 PHE A 109 21.194 23.893 13.944 1.00 1.49 H new
ATOM 0 HZ PHE A 109 19.342 22.729 12.811 1.00 0.81 H new
ATOM 806 N SER A 110 23.906 23.924 10.445 1.00 0.32 N
ATOM 807 CA SER A 110 23.041 24.996 9.964 1.00 0.43 C
ATOM 808 C SER A 110 23.613 25.622 8.697 1.00 0.46 C
ATOM 809 O SER A 110 22.872 26.028 7.802 1.00 0.47 O
ATOM 810 CB SER A 110 22.870 26.066 11.044 1.00 0.61 C
ATOM 811 OG SER A 110 21.802 25.744 11.918 0.50 1.31 O
ATOM 0 H SER A 110 24.451 24.162 11.274 1.00 0.32 H new
ATOM 0 HA SER A 110 22.066 24.569 9.731 1.00 0.43 H new
ATOM 0 HB2 SER A 110 23.794 26.162 11.614 1.00 0.61 H new
ATOM 0 HB3 SER A 110 22.682 27.032 10.576 1.00 0.61 H new
ATOM 0 HG SER A 110 21.885 24.811 12.207 0.50 1.31 H new
ATOM 817 N ASP A 111 24.939 25.694 8.631 1.00 0.53 N
ATOM 818 CA ASP A 111 25.620 26.268 7.476 1.00 0.65 C
ATOM 819 C ASP A 111 25.726 25.249 6.345 1.00 0.52 C
ATOM 820 O ASP A 111 25.546 25.584 5.175 1.00 0.52 O
ATOM 821 CB ASP A 111 27.015 26.753 7.872 1.00 0.92 C
ATOM 822 CG ASP A 111 27.200 28.240 7.640 1.00 1.45 C
ATOM 823 OD1 ASP A 111 26.391 29.029 8.171 1.00 2.01 O
ATOM 824 OD2 ASP A 111 28.154 28.615 6.926 1.00 2.15 O
ATOM 0 H ASP A 111 25.564 25.361 9.365 1.00 0.53 H new
ATOM 0 HA ASP A 111 25.033 27.116 7.123 1.00 0.65 H new
ATOM 0 HB2 ASP A 111 27.189 26.528 8.924 1.00 0.92 H new
ATOM 0 HB3 ASP A 111 27.763 26.203 7.301 1.00 0.92 H new
ATOM 829 N LEU A 112 26.019 24.004 6.705 1.00 0.50 N
ATOM 830 CA LEU A 112 26.150 22.934 5.724 1.00 0.57 C
ATOM 831 C LEU A 112 24.898 22.833 4.858 1.00 0.39 C
ATOM 832 O LEU A 112 24.979 22.817 3.631 1.00 0.42 O
ATOM 833 CB LEU A 112 26.403 21.599 6.426 1.00 0.74 C
ATOM 834 CG LEU A 112 27.871 21.293 6.730 0.50 1.70 C
ATOM 835 CD1 LEU A 112 28.644 21.049 5.443 0.50 2.29 C
ATOM 836 CD2 LEU A 112 28.500 22.428 7.523 0.50 2.35 C
ATOM 0 H LEU A 112 26.170 23.711 7.670 1.00 0.50 H new
ATOM 0 HA LEU A 112 26.999 23.167 5.081 1.00 0.57 H new
ATOM 0 HB2 LEU A 112 25.844 21.587 7.362 1.00 0.74 H new
ATOM 0 HB3 LEU A 112 26.002 20.798 5.805 1.00 0.74 H new
ATOM 0 HG LEU A 112 27.914 20.386 7.334 0.50 1.70 H new
ATOM 0 HD11 LEU A 112 29.686 20.833 5.680 0.50 2.29 H new
ATOM 0 HD12 LEU A 112 28.209 20.202 4.913 0.50 2.29 H new
ATOM 0 HD13 LEU A 112 28.592 21.937 4.813 0.50 2.29 H new
ATOM 0 HD21 LEU A 112 29.544 22.192 7.730 0.50 2.35 H new
ATOM 0 HD22 LEU A 112 28.444 23.350 6.945 0.50 2.35 H new
ATOM 0 HD23 LEU A 112 27.964 22.556 8.463 0.50 2.35 H new
ATOM 848 N THR A 113 23.742 22.763 5.508 1.00 0.27 N
ATOM 849 CA THR A 113 22.470 22.661 4.801 1.00 0.30 C
ATOM 850 C THR A 113 22.341 23.737 3.728 1.00 0.27 C
ATOM 851 O THR A 113 21.728 23.514 2.683 1.00 0.50 O
ATOM 852 CB THR A 113 21.281 22.780 5.773 1.00 0.31 C
ATOM 853 OG1 THR A 113 21.693 23.448 6.972 1.00 1.39 O
ATOM 854 CG2 THR A 113 20.724 21.407 6.118 1.00 1.33 C
ATOM 0 H THR A 113 23.659 22.775 6.525 1.00 0.27 H new
ATOM 0 HA THR A 113 22.452 21.680 4.327 1.00 0.30 H new
ATOM 0 HB THR A 113 20.498 23.360 5.285 1.00 0.31 H new
ATOM 0 HG1 THR A 113 22.020 22.788 7.618 1.00 1.39 H new
ATOM 0 HG21 THR A 113 19.885 21.517 6.806 1.00 1.33 H new
ATOM 0 HG22 THR A 113 20.385 20.913 5.208 1.00 1.33 H new
ATOM 0 HG23 THR A 113 21.502 20.806 6.588 1.00 1.33 H new
ATOM 862 N SER A 114 22.915 24.904 3.995 1.00 0.04 N
ATOM 863 CA SER A 114 22.858 26.019 3.056 1.00 0.04 C
ATOM 864 C SER A 114 23.812 25.813 1.881 1.00 0.04 C
ATOM 865 O SER A 114 23.589 26.349 0.795 1.00 0.04 O
ATOM 866 CB SER A 114 23.194 27.328 3.770 1.00 0.04 C
ATOM 867 OG SER A 114 22.529 28.424 3.167 0.50 0.80 O
ATOM 0 H SER A 114 23.426 25.103 4.855 1.00 0.04 H new
ATOM 0 HA SER A 114 21.842 26.068 2.663 1.00 0.04 H new
ATOM 0 HB2 SER A 114 22.907 27.257 4.819 1.00 0.04 H new
ATOM 0 HB3 SER A 114 24.271 27.494 3.744 1.00 0.04 H new
ATOM 0 HG SER A 114 21.988 28.105 2.414 0.50 0.80 H new
ATOM 873 N GLN A 115 24.876 25.044 2.106 1.00 0.04 N
ATOM 874 CA GLN A 115 25.865 24.779 1.064 1.00 0.04 C
ATOM 875 C GLN A 115 25.195 24.416 -0.259 1.00 0.04 C
ATOM 876 O GLN A 115 25.630 24.855 -1.324 1.00 0.04 O
ATOM 877 CB GLN A 115 26.807 23.653 1.495 1.00 0.04 C
ATOM 878 CG GLN A 115 27.698 24.020 2.670 1.00 0.04 C
ATOM 879 CD GLN A 115 29.059 24.527 2.233 1.00 0.51 C
ATOM 880 OE1 GLN A 115 29.379 24.537 1.045 1.00 0.52 O
ATOM 881 NE2 GLN A 115 29.869 24.952 3.196 1.00 1.56 N
ATOM 0 H GLN A 115 25.075 24.594 3.000 1.00 0.04 H new
ATOM 0 HA GLN A 115 26.441 25.692 0.916 1.00 0.04 H new
ATOM 0 HB2 GLN A 115 26.215 22.777 1.759 1.00 0.04 H new
ATOM 0 HB3 GLN A 115 27.434 23.371 0.649 1.00 0.04 H new
ATOM 0 HG2 GLN A 115 27.205 24.785 3.270 1.00 0.04 H new
ATOM 0 HG3 GLN A 115 27.828 23.147 3.310 1.00 0.04 H new
ATOM 0 HE21 GLN A 115 29.563 24.926 4.169 1.00 1.56 H new
ATOM 0 HE22 GLN A 115 30.797 25.305 2.963 1.00 1.56 H new
ATOM 890 N LEU A 116 24.138 23.612 -0.189 1.00 0.03 N
ATOM 891 CA LEU A 116 23.421 23.195 -1.389 1.00 0.03 C
ATOM 892 C LEU A 116 21.939 23.549 -1.302 1.00 0.03 C
ATOM 893 O LEU A 116 21.256 23.182 -0.345 1.00 0.03 O
ATOM 894 CB LEU A 116 23.583 21.690 -1.608 1.00 0.03 C
ATOM 895 CG LEU A 116 22.916 21.144 -2.872 1.00 0.03 C
ATOM 896 CD1 LEU A 116 23.796 21.385 -4.088 1.00 0.80 C
ATOM 897 CD2 LEU A 116 22.615 19.661 -2.716 1.00 0.79 C
ATOM 0 H LEU A 116 23.761 23.238 0.682 1.00 0.03 H new
ATOM 0 HA LEU A 116 23.850 23.731 -2.235 1.00 0.03 H new
ATOM 0 HB2 LEU A 116 24.647 21.456 -1.647 1.00 0.03 H new
ATOM 0 HB3 LEU A 116 23.173 21.166 -0.744 1.00 0.03 H new
ATOM 0 HG LEU A 116 21.975 21.673 -3.020 1.00 0.03 H new
ATOM 0 HD11 LEU A 116 23.304 20.990 -4.977 1.00 0.80 H new
ATOM 0 HD12 LEU A 116 23.962 22.455 -4.211 1.00 0.80 H new
ATOM 0 HD13 LEU A 116 24.754 20.883 -3.949 1.00 0.80 H new
ATOM 0 HD21 LEU A 116 22.141 19.289 -3.624 1.00 0.79 H new
ATOM 0 HD22 LEU A 116 23.544 19.118 -2.543 1.00 0.79 H new
ATOM 0 HD23 LEU A 116 21.944 19.513 -1.869 1.00 0.79 H new
ATOM 909 N HIS A 117 21.448 24.256 -2.315 1.00 0.03 N
ATOM 910 CA HIS A 117 20.046 24.654 -2.367 1.00 0.03 C
ATOM 911 C HIS A 117 19.335 23.952 -3.519 1.00 0.03 C
ATOM 912 O HIS A 117 19.277 24.471 -4.634 1.00 0.03 O
ATOM 913 CB HIS A 117 19.928 26.171 -2.526 1.00 0.03 C
ATOM 914 CG HIS A 117 20.282 26.933 -1.286 1.00 0.03 C
ATOM 915 ND1 HIS A 117 20.572 28.281 -1.289 1.00 1.05 N
ATOM 916 CD2 HIS A 117 20.393 26.528 0.001 1.00 0.93 C
ATOM 917 CE1 HIS A 117 20.846 28.673 -0.057 1.00 0.76 C
ATOM 918 NE2 HIS A 117 20.744 27.628 0.744 1.00 0.43 N
ATOM 0 H HIS A 117 22.002 24.566 -3.113 1.00 0.03 H new
ATOM 0 HA HIS A 117 19.571 24.360 -1.431 1.00 0.03 H new
ATOM 0 HB2 HIS A 117 20.578 26.494 -3.339 1.00 0.03 H new
ATOM 0 HB3 HIS A 117 18.907 26.419 -2.816 1.00 0.03 H new
ATOM 0 HD1 HIS A 117 20.575 28.882 -2.113 1.00 1.05 H new
ATOM 0 HD2 HIS A 117 20.235 25.527 0.374 1.00 0.93 H new
ATOM 0 HE1 HIS A 117 21.109 29.677 0.243 1.00 0.76 H new
ATOM 927 N ILE A 118 18.805 22.764 -3.244 1.00 0.03 N
ATOM 928 CA ILE A 118 18.105 21.981 -4.257 1.00 0.03 C
ATOM 929 C ILE A 118 17.117 22.838 -5.041 1.00 0.03 C
ATOM 930 O ILE A 118 16.274 23.522 -4.460 1.00 0.03 O
ATOM 931 CB ILE A 118 17.351 20.794 -3.630 1.00 0.02 C
ATOM 932 CG1 ILE A 118 16.803 19.875 -4.724 1.00 0.02 C
ATOM 933 CG2 ILE A 118 16.226 21.292 -2.736 1.00 0.02 C
ATOM 934 CD1 ILE A 118 17.876 19.091 -5.448 1.00 0.45 C
ATOM 0 H ILE A 118 18.847 22.322 -2.326 1.00 0.03 H new
ATOM 0 HA ILE A 118 18.867 21.601 -4.937 1.00 0.03 H new
ATOM 0 HB ILE A 118 18.049 20.223 -3.017 1.00 0.02 H new
ATOM 0 HG12 ILE A 118 16.092 19.178 -4.280 1.00 0.02 H new
ATOM 0 HG13 ILE A 118 16.251 20.474 -5.448 1.00 0.02 H new
ATOM 0 HG21 ILE A 118 15.703 20.440 -2.301 1.00 0.02 H new
ATOM 0 HG22 ILE A 118 16.641 21.909 -1.939 1.00 0.02 H new
ATOM 0 HG23 ILE A 118 15.527 21.884 -3.327 1.00 0.02 H new
ATOM 0 HD11 ILE A 118 17.415 18.461 -6.209 1.00 0.45 H new
ATOM 0 HD12 ILE A 118 18.574 19.781 -5.922 1.00 0.45 H new
ATOM 0 HD13 ILE A 118 18.413 18.465 -4.735 1.00 0.45 H new
ATOM 946 N THR A 119 17.227 22.792 -6.364 1.00 0.03 N
ATOM 947 CA THR A 119 16.345 23.559 -7.235 1.00 0.03 C
ATOM 948 C THR A 119 15.933 22.739 -8.453 1.00 0.03 C
ATOM 949 O THR A 119 16.632 21.808 -8.853 1.00 0.03 O
ATOM 950 CB THR A 119 17.016 24.862 -7.709 1.00 0.03 C
ATOM 951 OG1 THR A 119 18.182 24.560 -8.485 1.00 0.03 O
ATOM 952 CG2 THR A 119 17.402 25.734 -6.524 1.00 0.03 C
ATOM 0 H THR A 119 17.920 22.230 -6.858 1.00 0.03 H new
ATOM 0 HA THR A 119 15.460 23.809 -6.650 1.00 0.03 H new
ATOM 0 HB THR A 119 16.302 25.408 -8.325 1.00 0.03 H new
ATOM 0 HG1 THR A 119 18.840 24.101 -7.922 1.00 0.03 H new
ATOM 0 HG21 THR A 119 17.874 26.648 -6.884 1.00 0.03 H new
ATOM 0 HG22 THR A 119 16.509 25.987 -5.952 1.00 0.03 H new
ATOM 0 HG23 THR A 119 18.100 25.192 -5.886 1.00 0.03 H new
ATOM 960 N PRO A 120 14.787 23.079 -9.060 1.00 0.02 N
ATOM 961 CA PRO A 120 14.276 22.376 -10.239 1.00 0.02 C
ATOM 962 C PRO A 120 15.346 22.175 -11.307 1.00 0.03 C
ATOM 963 O PRO A 120 15.287 21.224 -12.087 1.00 0.03 O
ATOM 964 CB PRO A 120 13.176 23.305 -10.751 1.00 0.02 C
ATOM 965 CG PRO A 120 12.701 24.031 -9.540 1.00 0.02 C
ATOM 966 CD PRO A 120 13.900 24.180 -8.641 1.00 0.02 C
ATOM 0 HA PRO A 120 13.929 21.372 -9.997 1.00 0.02 H new
ATOM 0 HB2 PRO A 120 13.559 23.996 -11.502 1.00 0.02 H new
ATOM 0 HB3 PRO A 120 12.368 22.742 -11.218 1.00 0.02 H new
ATOM 0 HG2 PRO A 120 12.291 25.005 -9.806 1.00 0.02 H new
ATOM 0 HG3 PRO A 120 11.907 23.476 -9.040 1.00 0.02 H new
ATOM 0 HD2 PRO A 120 14.379 25.151 -8.769 1.00 0.02 H new
ATOM 0 HD3 PRO A 120 13.626 24.096 -7.589 1.00 0.02 H new
ATOM 974 N GLY A 121 16.323 23.075 -11.337 1.00 0.03 N
ATOM 975 CA GLY A 121 17.391 22.976 -12.314 1.00 0.03 C
ATOM 976 C GLY A 121 18.580 22.187 -11.801 1.00 0.03 C
ATOM 977 O GLY A 121 19.310 21.575 -12.581 1.00 0.03 O
ATOM 0 H GLY A 121 16.394 23.871 -10.703 1.00 0.03 H new
ATOM 0 HA2 GLY A 121 17.008 22.503 -13.218 1.00 0.03 H new
ATOM 0 HA3 GLY A 121 17.718 23.978 -12.593 1.00 0.03 H new
ATOM 981 N THR A 122 18.775 22.202 -10.486 1.00 0.03 N
ATOM 982 CA THR A 122 19.883 21.484 -9.867 1.00 0.03 C
ATOM 983 C THR A 122 19.982 20.057 -10.398 1.00 0.03 C
ATOM 984 O THR A 122 18.971 19.429 -10.710 1.00 0.03 O
ATOM 985 CB THR A 122 19.736 21.439 -8.335 1.00 0.03 C
ATOM 986 OG1 THR A 122 19.790 22.766 -7.797 1.00 0.03 O
ATOM 987 CG2 THR A 122 20.831 20.590 -7.710 1.00 0.03 C
ATOM 0 H THR A 122 18.179 22.704 -9.828 1.00 0.03 H new
ATOM 0 HA THR A 122 20.793 22.027 -10.123 1.00 0.03 H new
ATOM 0 HB THR A 122 18.771 20.990 -8.099 1.00 0.03 H new
ATOM 0 HG1 THR A 122 19.855 22.721 -6.820 1.00 0.03 H new
ATOM 0 HG21 THR A 122 20.706 20.574 -6.627 1.00 0.03 H new
ATOM 0 HG22 THR A 122 20.769 19.573 -8.098 1.00 0.03 H new
ATOM 0 HG23 THR A 122 21.805 21.013 -7.956 1.00 0.03 H new
ATOM 995 N ALA A 123 21.208 19.553 -10.500 1.00 0.03 N
ATOM 996 CA ALA A 123 21.440 18.200 -10.994 1.00 0.03 C
ATOM 997 C ALA A 123 21.877 17.271 -9.866 1.00 0.03 C
ATOM 998 O ALA A 123 22.354 17.723 -8.825 1.00 0.03 O
ATOM 999 CB ALA A 123 22.482 18.215 -12.102 1.00 0.03 C
ATOM 0 H ALA A 123 22.056 20.061 -10.247 1.00 0.03 H new
ATOM 0 HA ALA A 123 20.501 17.821 -11.398 1.00 0.03 H new
ATOM 0 HB1 ALA A 123 22.645 17.199 -12.461 1.00 0.03 H new
ATOM 0 HB2 ALA A 123 22.130 18.839 -12.924 1.00 0.03 H new
ATOM 0 HB3 ALA A 123 23.418 18.618 -11.716 1.00 0.03 H new
ATOM 1005 N TYR A 124 21.712 15.969 -10.081 1.00 0.03 N
ATOM 1006 CA TYR A 124 22.091 14.976 -9.083 1.00 0.03 C
ATOM 1007 C TYR A 124 23.573 15.085 -8.739 1.00 0.03 C
ATOM 1008 O TYR A 124 23.973 14.865 -7.596 1.00 0.03 O
ATOM 1009 CB TYR A 124 21.776 13.567 -9.589 1.00 0.03 C
ATOM 1010 CG TYR A 124 22.387 12.470 -8.746 1.00 0.03 C
ATOM 1011 CD1 TYR A 124 22.059 12.334 -7.403 1.00 0.27 C
ATOM 1012 CD2 TYR A 124 23.292 11.569 -9.294 1.00 0.24 C
ATOM 1013 CE1 TYR A 124 22.615 11.333 -6.630 1.00 0.27 C
ATOM 1014 CE2 TYR A 124 23.853 10.565 -8.527 1.00 0.24 C
ATOM 1015 CZ TYR A 124 23.511 10.451 -7.196 1.00 0.03 C
ATOM 1016 OH TYR A 124 24.068 9.453 -6.430 1.00 0.03 O
ATOM 0 H TYR A 124 21.319 15.578 -10.937 1.00 0.03 H new
ATOM 0 HA TYR A 124 21.512 15.169 -8.180 1.00 0.03 H new
ATOM 0 HB2 TYR A 124 20.695 13.433 -9.616 1.00 0.03 H new
ATOM 0 HB3 TYR A 124 22.135 13.469 -10.613 1.00 0.03 H new
ATOM 0 HD1 TYR A 124 21.357 13.022 -6.956 1.00 0.27 H new
ATOM 0 HD2 TYR A 124 23.562 11.655 -10.336 1.00 0.24 H new
ATOM 0 HE1 TYR A 124 22.349 11.242 -5.587 1.00 0.27 H new
ATOM 0 HE2 TYR A 124 24.556 9.873 -8.968 1.00 0.24 H new
ATOM 0 HH TYR A 124 24.677 8.919 -6.981 1.00 0.03 H new
ATOM 1026 N GLN A 125 24.383 15.425 -9.737 1.00 0.03 N
ATOM 1027 CA GLN A 125 25.821 15.563 -9.541 1.00 0.03 C
ATOM 1028 C GLN A 125 26.131 16.630 -8.495 1.00 0.03 C
ATOM 1029 O GLN A 125 27.090 16.507 -7.734 1.00 0.04 O
ATOM 1030 CB GLN A 125 26.505 15.916 -10.863 1.00 0.04 C
ATOM 1031 CG GLN A 125 26.266 14.895 -11.963 1.00 0.04 C
ATOM 1032 CD GLN A 125 27.221 15.061 -13.128 1.00 1.27 C
ATOM 1033 OE1 GLN A 125 26.799 15.218 -14.274 1.00 2.13 O
ATOM 1034 NE2 GLN A 125 28.517 15.026 -12.841 1.00 2.05 N
ATOM 0 H GLN A 125 24.067 15.610 -10.689 1.00 0.03 H new
ATOM 0 HA GLN A 125 26.205 14.608 -9.183 1.00 0.03 H new
ATOM 0 HB2 GLN A 125 26.148 16.890 -11.199 1.00 0.04 H new
ATOM 0 HB3 GLN A 125 27.578 16.011 -10.694 1.00 0.04 H new
ATOM 0 HG2 GLN A 125 26.371 13.891 -11.551 1.00 0.04 H new
ATOM 0 HG3 GLN A 125 25.241 14.986 -12.322 1.00 0.04 H new
ATOM 0 HE21 GLN A 125 28.822 14.894 -11.877 1.00 2.05 H new
ATOM 0 HE22 GLN A 125 29.207 15.131 -13.585 1.00 2.05 H new
ATOM 1043 N SER A 126 25.312 17.676 -8.464 1.00 0.03 N
ATOM 1044 CA SER A 126 25.498 18.765 -7.512 1.00 0.03 C
ATOM 1045 C SER A 126 25.218 18.299 -6.087 1.00 0.03 C
ATOM 1046 O SER A 126 25.816 18.796 -5.133 1.00 0.03 O
ATOM 1047 CB SER A 126 24.584 19.939 -7.865 1.00 0.03 C
ATOM 1048 OG SER A 126 24.615 20.932 -6.855 1.00 1.03 O
ATOM 0 H SER A 126 24.513 17.793 -9.087 1.00 0.03 H new
ATOM 0 HA SER A 126 26.537 19.090 -7.570 1.00 0.03 H new
ATOM 0 HB2 SER A 126 24.895 20.373 -8.815 1.00 0.03 H new
ATOM 0 HB3 SER A 126 23.563 19.582 -7.997 1.00 0.03 H new
ATOM 0 HG SER A 126 24.024 21.672 -7.106 1.00 1.03 H new
ATOM 1054 N PHE A 127 24.304 17.344 -5.951 1.00 0.03 N
ATOM 1055 CA PHE A 127 23.943 16.813 -4.642 1.00 0.03 C
ATOM 1056 C PHE A 127 24.956 15.772 -4.176 1.00 0.03 C
ATOM 1057 O PHE A 127 25.236 15.654 -2.983 1.00 0.03 O
ATOM 1058 CB PHE A 127 22.545 16.194 -4.689 1.00 0.03 C
ATOM 1059 CG PHE A 127 22.265 15.259 -3.547 1.00 0.02 C
ATOM 1060 CD1 PHE A 127 21.915 15.752 -2.300 1.00 1.13 C
ATOM 1061 CD2 PHE A 127 22.349 13.887 -3.722 1.00 1.12 C
ATOM 1062 CE1 PHE A 127 21.656 14.894 -1.248 1.00 1.13 C
ATOM 1063 CE2 PHE A 127 22.091 13.024 -2.673 1.00 1.12 C
ATOM 1064 CZ PHE A 127 21.744 13.529 -1.435 1.00 0.02 C
ATOM 0 H PHE A 127 23.800 16.922 -6.731 1.00 0.03 H new
ATOM 0 HA PHE A 127 23.946 17.639 -3.930 1.00 0.03 H new
ATOM 0 HB2 PHE A 127 21.803 16.992 -4.685 1.00 0.03 H new
ATOM 0 HB3 PHE A 127 22.427 15.653 -5.628 1.00 0.03 H new
ATOM 0 HD1 PHE A 127 21.844 16.819 -2.149 1.00 1.13 H new
ATOM 0 HD2 PHE A 127 22.619 13.487 -4.688 1.00 1.12 H new
ATOM 0 HE1 PHE A 127 21.385 15.291 -0.281 1.00 1.13 H new
ATOM 0 HE2 PHE A 127 22.161 11.957 -2.821 1.00 1.12 H new
ATOM 0 HZ PHE A 127 21.542 12.857 -0.614 1.00 0.02 H new
ATOM 1074 N GLU A 128 25.500 15.017 -5.124 1.00 0.03 N
ATOM 1075 CA GLU A 128 26.480 13.984 -4.810 1.00 0.03 C
ATOM 1076 C GLU A 128 27.754 14.598 -4.239 1.00 0.03 C
ATOM 1077 O GLU A 128 28.390 14.022 -3.357 1.00 0.03 O
ATOM 1078 CB GLU A 128 26.807 13.165 -6.059 1.00 0.03 C
ATOM 1079 CG GLU A 128 27.715 11.977 -5.788 1.00 0.03 C
ATOM 1080 CD GLU A 128 28.476 11.533 -7.021 1.00 0.48 C
ATOM 1081 OE1 GLU A 128 28.053 11.890 -8.140 1.00 1.03 O
ATOM 1082 OE2 GLU A 128 29.496 10.828 -6.868 1.00 1.48 O
ATOM 0 H GLU A 128 25.279 15.101 -6.116 1.00 0.03 H new
ATOM 0 HA GLU A 128 26.048 13.325 -4.057 1.00 0.03 H new
ATOM 0 HB2 GLU A 128 25.878 12.807 -6.502 1.00 0.03 H new
ATOM 0 HB3 GLU A 128 27.282 13.814 -6.795 1.00 0.03 H new
ATOM 0 HG2 GLU A 128 28.424 12.238 -5.002 1.00 0.03 H new
ATOM 0 HG3 GLU A 128 27.118 11.145 -5.415 1.00 0.03 H new
ATOM 1089 N GLN A 129 28.120 15.770 -4.747 1.00 0.03 N
ATOM 1090 CA GLN A 129 29.319 16.459 -4.285 1.00 0.04 C
ATOM 1091 C GLN A 129 29.219 16.782 -2.797 1.00 0.04 C
ATOM 1092 O GLN A 129 30.189 16.634 -2.053 1.00 0.04 O
ATOM 1093 CB GLN A 129 29.538 17.742 -5.091 1.00 0.04 C
ATOM 1094 CG GLN A 129 28.913 18.975 -4.460 1.00 0.04 C
ATOM 1095 CD GLN A 129 28.969 20.185 -5.371 1.00 0.12 C
ATOM 1096 OE1 GLN A 129 29.805 20.260 -6.272 1.00 0.98 O
ATOM 1097 NE2 GLN A 129 28.076 21.140 -5.141 1.00 1.14 N
ATOM 0 H GLN A 129 27.605 16.262 -5.477 1.00 0.03 H new
ATOM 0 HA GLN A 129 30.172 15.798 -4.436 1.00 0.04 H new
ATOM 0 HB2 GLN A 129 30.609 17.908 -5.208 1.00 0.04 H new
ATOM 0 HB3 GLN A 129 29.125 17.607 -6.091 1.00 0.04 H new
ATOM 0 HG2 GLN A 129 27.874 18.763 -4.207 1.00 0.04 H new
ATOM 0 HG3 GLN A 129 29.428 19.203 -3.527 1.00 0.04 H new
ATOM 0 HE21 GLN A 129 27.401 21.036 -4.383 1.00 1.14 H new
ATOM 0 HE22 GLN A 129 28.064 21.978 -5.722 1.00 1.14 H new
ATOM 1106 N VAL A 130 28.038 17.216 -2.366 1.00 0.03 N
ATOM 1107 CA VAL A 130 27.810 17.551 -0.965 1.00 0.03 C
ATOM 1108 C VAL A 130 27.907 16.308 -0.089 1.00 0.03 C
ATOM 1109 O VAL A 130 28.407 16.365 1.034 1.00 0.03 O
ATOM 1110 CB VAL A 130 26.432 18.206 -0.761 1.00 0.04 C
ATOM 1111 CG1 VAL A 130 26.017 18.136 0.700 1.00 0.85 C
ATOM 1112 CG2 VAL A 130 26.448 19.647 -1.249 1.00 0.85 C
ATOM 0 H VAL A 130 27.224 17.344 -2.968 1.00 0.03 H new
ATOM 0 HA VAL A 130 28.584 18.262 -0.675 1.00 0.03 H new
ATOM 0 HB VAL A 130 25.699 17.655 -1.349 1.00 0.04 H new
ATOM 0 HG11 VAL A 130 25.040 18.604 0.824 1.00 0.85 H new
ATOM 0 HG12 VAL A 130 25.962 17.093 1.013 1.00 0.85 H new
ATOM 0 HG13 VAL A 130 26.751 18.660 1.312 1.00 0.85 H new
ATOM 0 HG21 VAL A 130 25.465 20.094 -1.097 1.00 0.85 H new
ATOM 0 HG22 VAL A 130 27.194 20.212 -0.690 1.00 0.85 H new
ATOM 0 HG23 VAL A 130 26.696 19.669 -2.310 1.00 0.85 H new
ATOM 1122 N VAL A 131 27.428 15.184 -0.613 1.00 0.03 N
ATOM 1123 CA VAL A 131 27.463 13.924 0.118 1.00 0.03 C
ATOM 1124 C VAL A 131 28.888 13.394 0.224 1.00 0.03 C
ATOM 1125 O VAL A 131 29.292 12.873 1.263 1.00 0.03 O
ATOM 1126 CB VAL A 131 26.579 12.859 -0.557 1.00 0.03 C
ATOM 1127 CG1 VAL A 131 26.315 11.702 0.395 1.00 1.34 C
ATOM 1128 CG2 VAL A 131 25.274 13.475 -1.037 1.00 1.35 C
ATOM 0 H VAL A 131 27.011 15.121 -1.542 1.00 0.03 H new
ATOM 0 HA VAL A 131 27.076 14.124 1.117 1.00 0.03 H new
ATOM 0 HB VAL A 131 27.110 12.469 -1.425 1.00 0.03 H new
ATOM 0 HG11 VAL A 131 25.689 10.960 -0.100 1.00 1.34 H new
ATOM 0 HG12 VAL A 131 27.262 11.245 0.683 1.00 1.34 H new
ATOM 0 HG13 VAL A 131 25.805 12.072 1.285 1.00 1.34 H new
ATOM 0 HG21 VAL A 131 24.662 12.708 -1.511 1.00 1.35 H new
ATOM 0 HG22 VAL A 131 24.735 13.895 -0.187 1.00 1.35 H new
ATOM 0 HG23 VAL A 131 25.488 14.265 -1.757 1.00 1.35 H new
ATOM 1138 N ASN A 132 29.648 13.533 -0.858 1.00 0.03 N
ATOM 1139 CA ASN A 132 31.030 13.071 -0.885 1.00 0.03 C
ATOM 1140 C ASN A 132 31.829 13.691 0.257 1.00 0.03 C
ATOM 1141 O ASN A 132 32.606 13.010 0.926 1.00 0.03 O
ATOM 1142 CB ASN A 132 31.680 13.417 -2.226 1.00 0.04 C
ATOM 1143 CG ASN A 132 32.155 12.187 -2.974 1.00 0.93 C
ATOM 1144 OD1 ASN A 132 31.612 11.834 -4.021 1.00 1.84 O
ATOM 1145 ND2 ASN A 132 33.174 11.525 -2.439 1.00 1.44 N
ATOM 0 H ASN A 132 29.329 13.962 -1.727 1.00 0.03 H new
ATOM 0 HA ASN A 132 31.030 11.988 -0.760 1.00 0.03 H new
ATOM 0 HB2 ASN A 132 30.965 13.960 -2.844 1.00 0.04 H new
ATOM 0 HB3 ASN A 132 32.525 14.084 -2.055 1.00 0.04 H new
ATOM 0 HD21 ASN A 132 33.536 10.689 -2.898 1.00 1.44 H new
ATOM 0 HD22 ASN A 132 33.595 11.853 -1.569 1.00 1.44 H new
ATOM 1152 N GLU A 133 31.628 14.987 0.477 1.00 0.04 N
ATOM 1153 CA GLU A 133 32.325 15.700 1.541 1.00 0.04 C
ATOM 1154 C GLU A 133 32.011 15.081 2.899 1.00 0.04 C
ATOM 1155 O GLU A 133 32.879 14.985 3.766 1.00 0.04 O
ATOM 1156 CB GLU A 133 31.933 17.178 1.535 1.00 0.07 C
ATOM 1157 CG GLU A 133 32.873 18.062 2.338 1.00 1.13 C
ATOM 1158 CD GLU A 133 34.100 18.478 1.550 1.00 1.89 C
ATOM 1159 OE1 GLU A 133 33.960 19.311 0.630 1.00 2.58 O
ATOM 1160 OE2 GLU A 133 35.201 17.971 1.853 1.00 2.28 O
ATOM 0 H GLU A 133 30.988 15.564 -0.068 1.00 0.04 H new
ATOM 0 HA GLU A 133 33.397 15.618 1.362 1.00 0.04 H new
ATOM 0 HB2 GLU A 133 31.905 17.533 0.505 1.00 0.07 H new
ATOM 0 HB3 GLU A 133 30.924 17.279 1.934 1.00 0.07 H new
ATOM 0 HG2 GLU A 133 32.337 18.953 2.665 1.00 1.13 H new
ATOM 0 HG3 GLU A 133 33.186 17.531 3.237 1.00 1.13 H new
ATOM 1167 N LEU A 134 30.762 14.659 3.073 1.00 0.03 N
ATOM 1168 CA LEU A 134 30.327 14.043 4.321 1.00 0.03 C
ATOM 1169 C LEU A 134 31.106 12.761 4.592 1.00 0.03 C
ATOM 1170 O LEU A 134 31.506 12.492 5.725 1.00 0.03 O
ATOM 1171 CB LEU A 134 28.831 13.735 4.264 1.00 0.04 C
ATOM 1172 CG LEU A 134 28.159 13.553 5.626 1.00 0.33 C
ATOM 1173 CD1 LEU A 134 26.858 14.338 5.691 1.00 1.06 C
ATOM 1174 CD2 LEU A 134 27.909 12.077 5.901 1.00 0.81 C
ATOM 0 H LEU A 134 30.033 14.733 2.364 1.00 0.03 H new
ATOM 0 HA LEU A 134 30.519 14.746 5.132 1.00 0.03 H new
ATOM 0 HB2 LEU A 134 28.328 14.543 3.732 1.00 0.04 H new
ATOM 0 HB3 LEU A 134 28.684 12.828 3.678 1.00 0.04 H new
ATOM 0 HG LEU A 134 28.828 13.939 6.395 1.00 0.33 H new
ATOM 0 HD11 LEU A 134 26.395 14.195 6.668 1.00 1.06 H new
ATOM 0 HD12 LEU A 134 27.064 15.397 5.538 1.00 1.06 H new
ATOM 0 HD13 LEU A 134 26.181 13.985 4.914 1.00 1.06 H new
ATOM 0 HD21 LEU A 134 27.430 11.964 6.874 1.00 0.81 H new
ATOM 0 HD22 LEU A 134 27.259 11.668 5.127 1.00 0.81 H new
ATOM 0 HD23 LEU A 134 28.858 11.541 5.899 1.00 0.81 H new
ATOM 1186 N PHE A 135 31.313 11.971 3.544 1.00 0.03 N
ATOM 1187 CA PHE A 135 32.040 10.713 3.666 1.00 0.03 C
ATOM 1188 C PHE A 135 33.363 10.769 2.909 1.00 0.03 C
ATOM 1189 O PHE A 135 33.659 9.893 2.095 1.00 0.03 O
ATOM 1190 CB PHE A 135 31.188 9.558 3.136 1.00 0.03 C
ATOM 1191 CG PHE A 135 29.829 9.470 3.769 1.00 0.06 C
ATOM 1192 CD1 PHE A 135 29.687 9.031 5.076 1.00 1.16 C
ATOM 1193 CD2 PHE A 135 28.694 9.823 3.057 1.00 1.11 C
ATOM 1194 CE1 PHE A 135 28.437 8.946 5.661 1.00 1.18 C
ATOM 1195 CE2 PHE A 135 27.442 9.740 3.637 1.00 1.09 C
ATOM 1196 CZ PHE A 135 27.313 9.300 4.940 1.00 0.15 C
ATOM 0 H PHE A 135 30.987 12.180 2.600 1.00 0.03 H new
ATOM 0 HA PHE A 135 32.254 10.548 4.722 1.00 0.03 H new
ATOM 0 HB2 PHE A 135 31.070 9.670 2.058 1.00 0.03 H new
ATOM 0 HB3 PHE A 135 31.718 8.621 3.303 1.00 0.03 H new
ATOM 0 HD1 PHE A 135 30.562 8.752 5.644 1.00 1.16 H new
ATOM 0 HD2 PHE A 135 28.789 10.167 2.038 1.00 1.11 H new
ATOM 0 HE1 PHE A 135 28.339 8.603 6.681 1.00 1.18 H new
ATOM 0 HE2 PHE A 135 26.565 10.019 3.072 1.00 1.09 H new
ATOM 0 HZ PHE A 135 26.335 9.233 5.394 1.00 0.15 H new
ATOM 1206 N ARG A 136 34.156 11.800 3.180 1.00 0.04 N
ATOM 1207 CA ARG A 136 35.447 11.962 2.521 1.00 0.04 C
ATOM 1208 C ARG A 136 36.553 11.273 3.314 1.00 0.04 C
ATOM 1209 O ARG A 136 37.528 10.786 2.742 1.00 0.04 O
ATOM 1210 CB ARG A 136 35.773 13.447 2.347 1.00 0.04 C
ATOM 1211 CG ARG A 136 35.990 14.183 3.658 1.00 0.04 C
ATOM 1212 CD ARG A 136 36.724 15.497 3.443 1.00 0.77 C
ATOM 1213 NE ARG A 136 38.052 15.490 4.053 1.00 1.19 N
ATOM 1214 CZ ARG A 136 39.014 16.358 3.749 1.00 1.56 C
ATOM 1215 NH1 ARG A 136 38.808 17.303 2.838 1.00 2.02 N
ATOM 1216 NH2 ARG A 136 40.190 16.282 4.357 1.00 2.26 N
ATOM 0 H ARG A 136 33.928 12.535 3.850 1.00 0.04 H new
ATOM 0 HA ARG A 136 35.386 11.495 1.538 1.00 0.04 H new
ATOM 0 HB2 ARG A 136 36.669 13.544 1.734 1.00 0.04 H new
ATOM 0 HB3 ARG A 136 34.960 13.927 1.802 1.00 0.04 H new
ATOM 0 HG2 ARG A 136 35.028 14.376 4.132 1.00 0.04 H new
ATOM 0 HG3 ARG A 136 36.561 13.553 4.340 1.00 0.04 H new
ATOM 0 HD2 ARG A 136 36.817 15.689 2.374 1.00 0.77 H new
ATOM 0 HD3 ARG A 136 36.136 16.313 3.863 1.00 0.77 H new
ATOM 0 HE ARG A 136 38.254 14.777 4.754 1.00 1.19 H new
ATOM 0 HH11 ARG A 136 37.907 17.368 2.365 1.00 2.02 H new
ATOM 0 HH12 ARG A 136 39.551 17.964 2.612 1.00 2.02 H new
ATOM 0 HH21 ARG A 136 40.357 15.559 5.057 1.00 2.26 H new
ATOM 0 HH22 ARG A 136 40.928 16.947 4.125 1.00 2.26 H new
ATOM 1230 N ASP A 137 36.394 11.234 4.633 1.00 0.04 N
ATOM 1231 CA ASP A 137 37.379 10.602 5.503 1.00 0.04 C
ATOM 1232 C ASP A 137 36.882 9.245 5.990 1.00 0.04 C
ATOM 1233 O ASP A 137 37.039 8.899 7.161 1.00 0.04 O
ATOM 1234 CB ASP A 137 37.689 11.505 6.698 1.00 0.04 C
ATOM 1235 CG ASP A 137 38.542 12.698 6.316 1.00 0.04 C
ATOM 1236 OD1 ASP A 137 38.674 12.970 5.104 1.00 1.09 O
ATOM 1237 OD2 ASP A 137 39.080 13.361 7.229 1.00 1.10 O
ATOM 0 H ASP A 137 35.593 11.632 5.123 1.00 0.04 H new
ATOM 0 HA ASP A 137 38.292 10.449 4.927 1.00 0.04 H new
ATOM 0 HB2 ASP A 137 36.755 11.856 7.137 1.00 0.04 H new
ATOM 0 HB3 ASP A 137 38.203 10.925 7.464 1.00 0.04 H new
ATOM 1242 N GLY A 138 36.281 8.481 5.084 1.00 0.03 N
ATOM 1243 CA GLY A 138 35.770 7.170 5.440 1.00 0.03 C
ATOM 1244 C GLY A 138 34.269 7.173 5.656 1.00 0.03 C
ATOM 1245 O GLY A 138 33.599 8.171 5.392 1.00 0.03 O
ATOM 0 H GLY A 138 36.139 8.746 4.109 1.00 0.03 H new
ATOM 0 HA2 GLY A 138 36.019 6.460 4.652 1.00 0.03 H new
ATOM 0 HA3 GLY A 138 36.264 6.825 6.348 1.00 0.03 H new
ATOM 1249 N VAL A 139 33.742 6.053 6.139 1.00 0.03 N
ATOM 1250 CA VAL A 139 32.312 5.928 6.392 1.00 0.03 C
ATOM 1251 C VAL A 139 32.051 5.212 7.713 1.00 0.02 C
ATOM 1252 O VAL A 139 32.783 4.296 8.088 1.00 0.03 O
ATOM 1253 CB VAL A 139 31.603 5.163 5.258 1.00 0.03 C
ATOM 1254 CG1 VAL A 139 30.095 5.192 5.454 1.00 0.02 C
ATOM 1255 CG2 VAL A 139 31.984 5.741 3.904 1.00 0.03 C
ATOM 0 H VAL A 139 34.284 5.219 6.363 1.00 0.03 H new
ATOM 0 HA VAL A 139 31.910 6.940 6.442 1.00 0.03 H new
ATOM 0 HB VAL A 139 31.929 4.123 5.288 1.00 0.03 H new
ATOM 0 HG11 VAL A 139 29.612 4.647 4.643 1.00 0.02 H new
ATOM 0 HG12 VAL A 139 29.843 4.725 6.406 1.00 0.02 H new
ATOM 0 HG13 VAL A 139 29.748 6.225 5.453 1.00 0.02 H new
ATOM 0 HG21 VAL A 139 31.474 5.188 3.116 1.00 0.03 H new
ATOM 0 HG22 VAL A 139 31.690 6.790 3.860 1.00 0.03 H new
ATOM 0 HG23 VAL A 139 33.062 5.660 3.764 1.00 0.03 H new
ATOM 1265 N ASN A 140 31.005 5.635 8.414 1.00 0.02 N
ATOM 1266 CA ASN A 140 30.651 5.033 9.694 1.00 0.02 C
ATOM 1267 C ASN A 140 29.200 5.334 10.057 1.00 0.02 C
ATOM 1268 O ASN A 140 28.594 6.259 9.517 1.00 0.02 O
ATOM 1269 CB ASN A 140 31.580 5.546 10.796 1.00 0.02 C
ATOM 1270 CG ASN A 140 31.584 7.059 10.891 1.00 0.03 C
ATOM 1271 OD1 ASN A 140 30.854 7.740 10.171 1.00 0.60 O
ATOM 1272 ND2 ASN A 140 32.410 7.594 11.783 1.00 0.69 N
ATOM 0 H ASN A 140 30.388 6.391 8.118 1.00 0.02 H new
ATOM 0 HA ASN A 140 30.766 3.953 9.602 1.00 0.02 H new
ATOM 0 HB2 ASN A 140 31.271 5.125 11.753 1.00 0.02 H new
ATOM 0 HB3 ASN A 140 32.594 5.194 10.606 1.00 0.02 H new
ATOM 0 HD21 ASN A 140 32.457 8.607 11.892 1.00 0.69 H new
ATOM 0 HD22 ASN A 140 32.998 6.992 12.359 1.00 0.69 H new
ATOM 1279 N TRP A 141 28.650 4.548 10.977 1.00 0.02 N
ATOM 1280 CA TRP A 141 27.271 4.733 11.413 1.00 0.02 C
ATOM 1281 C TRP A 141 27.019 6.185 11.804 1.00 0.02 C
ATOM 1282 O TRP A 141 25.959 6.741 11.517 1.00 0.02 O
ATOM 1283 CB TRP A 141 26.959 3.811 12.594 1.00 0.02 C
ATOM 1284 CG TRP A 141 26.936 2.359 12.224 1.00 0.01 C
ATOM 1285 CD1 TRP A 141 27.626 1.348 12.829 1.00 0.07 C
ATOM 1286 CD2 TRP A 141 26.186 1.756 11.163 1.00 0.06 C
ATOM 1287 NE1 TRP A 141 27.350 0.153 12.210 1.00 0.05 N
ATOM 1288 CE2 TRP A 141 26.469 0.377 11.185 1.00 0.04 C
ATOM 1289 CE3 TRP A 141 25.302 2.248 10.198 1.00 0.14 C
ATOM 1290 CZ2 TRP A 141 25.899 -0.514 10.278 1.00 0.08 C
ATOM 1291 CZ3 TRP A 141 24.738 1.362 9.300 1.00 0.19 C
ATOM 1292 CH2 TRP A 141 25.038 -0.005 9.345 1.00 0.16 C
ATOM 0 H TRP A 141 29.138 3.778 11.434 1.00 0.02 H new
ATOM 0 HA TRP A 141 26.614 4.479 10.582 1.00 0.02 H new
ATOM 0 HB2 TRP A 141 27.703 3.968 13.375 1.00 0.02 H new
ATOM 0 HB3 TRP A 141 25.992 4.087 13.015 1.00 0.02 H new
ATOM 0 HD1 TRP A 141 28.291 1.470 13.671 1.00 0.07 H new
ATOM 0 HE1 TRP A 141 27.738 -0.754 12.471 1.00 0.05 H new
ATOM 0 HE3 TRP A 141 25.064 3.301 10.155 1.00 0.14 H new
ATOM 0 HZ2 TRP A 141 26.129 -1.569 10.310 1.00 0.08 H new
ATOM 0 HZ3 TRP A 141 24.054 1.730 8.550 1.00 0.19 H new
ATOM 0 HH2 TRP A 141 24.580 -0.671 8.628 1.00 0.16 H new
ATOM 1303 N GLY A 142 28.002 6.792 12.460 1.00 0.02 N
ATOM 1304 CA GLY A 142 27.871 8.175 12.881 1.00 0.02 C
ATOM 1305 C GLY A 142 27.582 9.110 11.723 1.00 0.02 C
ATOM 1306 O GLY A 142 26.636 9.895 11.771 1.00 0.02 O
ATOM 0 H GLY A 142 28.888 6.351 12.708 1.00 0.02 H new
ATOM 0 HA2 GLY A 142 27.070 8.253 13.616 1.00 0.02 H new
ATOM 0 HA3 GLY A 142 28.790 8.489 13.377 1.00 0.02 H new
ATOM 1310 N ARG A 143 28.400 9.025 10.678 1.00 0.02 N
ATOM 1311 CA ARG A 143 28.229 9.870 9.503 1.00 0.02 C
ATOM 1312 C ARG A 143 27.031 9.416 8.676 1.00 0.02 C
ATOM 1313 O ARG A 143 26.345 10.231 8.060 1.00 0.02 O
ATOM 1314 CB ARG A 143 29.493 9.847 8.642 1.00 0.03 C
ATOM 1315 CG ARG A 143 30.668 10.581 9.267 1.00 0.03 C
ATOM 1316 CD ARG A 143 31.772 10.830 8.254 1.00 0.37 C
ATOM 1317 NE ARG A 143 33.100 10.653 8.836 1.00 0.83 N
ATOM 1318 CZ ARG A 143 33.621 11.461 9.758 1.00 0.98 C
ATOM 1319 NH1 ARG A 143 32.938 12.511 10.200 1.00 1.32 N
ATOM 1320 NH2 ARG A 143 34.834 11.220 10.238 1.00 1.77 N
ATOM 0 H ARG A 143 29.188 8.379 10.622 1.00 0.02 H new
ATOM 0 HA ARG A 143 28.048 10.889 9.844 1.00 0.02 H new
ATOM 0 HB2 ARG A 143 29.779 8.811 8.458 1.00 0.03 H new
ATOM 0 HB3 ARG A 143 29.271 10.293 7.673 1.00 0.03 H new
ATOM 0 HG2 ARG A 143 30.328 11.532 9.677 1.00 0.03 H new
ATOM 0 HG3 ARG A 143 31.062 9.998 10.099 1.00 0.03 H new
ATOM 0 HD2 ARG A 143 31.652 10.148 7.412 1.00 0.37 H new
ATOM 0 HD3 ARG A 143 31.681 11.842 7.860 1.00 0.37 H new
ATOM 0 HE ARG A 143 33.662 9.864 8.517 1.00 0.83 H new
ATOM 0 HH11 ARG A 143 32.006 12.704 9.833 1.00 1.32 H new
ATOM 0 HH12 ARG A 143 33.345 13.124 10.906 1.00 1.32 H new
ATOM 0 HH21 ARG A 143 35.366 10.417 9.901 1.00 1.77 H new
ATOM 0 HH22 ARG A 143 35.235 11.837 10.944 1.00 1.77 H new
ATOM 1334 N ILE A 144 26.786 8.109 8.667 1.00 0.02 N
ATOM 1335 CA ILE A 144 25.671 7.547 7.914 1.00 0.02 C
ATOM 1336 C ILE A 144 24.384 8.320 8.183 1.00 0.02 C
ATOM 1337 O ILE A 144 23.648 8.659 7.257 1.00 0.02 O
ATOM 1338 CB ILE A 144 25.446 6.062 8.259 1.00 0.02 C
ATOM 1339 CG1 ILE A 144 26.502 5.191 7.576 1.00 0.02 C
ATOM 1340 CG2 ILE A 144 24.047 5.629 7.849 1.00 0.01 C
ATOM 1341 CD1 ILE A 144 26.232 4.955 6.106 1.00 0.88 C
ATOM 0 H ILE A 144 27.344 7.421 9.172 1.00 0.02 H new
ATOM 0 HA ILE A 144 25.930 7.629 6.858 1.00 0.02 H new
ATOM 0 HB ILE A 144 25.542 5.936 9.337 1.00 0.02 H new
ATOM 0 HG12 ILE A 144 27.478 5.664 7.687 1.00 0.02 H new
ATOM 0 HG13 ILE A 144 26.554 4.229 8.087 1.00 0.02 H new
ATOM 0 HG21 ILE A 144 23.903 4.578 8.099 1.00 0.01 H new
ATOM 0 HG22 ILE A 144 23.310 6.232 8.379 1.00 0.01 H new
ATOM 0 HG23 ILE A 144 23.924 5.766 6.775 1.00 0.01 H new
ATOM 0 HD11 ILE A 144 27.021 4.330 5.687 1.00 0.88 H new
ATOM 0 HD12 ILE A 144 25.271 4.454 5.988 1.00 0.88 H new
ATOM 0 HD13 ILE A 144 26.210 5.911 5.582 1.00 0.88 H new
ATOM 1353 N VAL A 145 24.121 8.598 9.456 1.00 0.02 N
ATOM 1354 CA VAL A 145 22.924 9.335 9.844 1.00 0.02 C
ATOM 1355 C VAL A 145 22.906 10.719 9.205 1.00 0.02 C
ATOM 1356 O VAL A 145 21.850 11.227 8.827 1.00 0.02 O
ATOM 1357 CB VAL A 145 22.825 9.485 11.374 1.00 0.02 C
ATOM 1358 CG1 VAL A 145 21.578 10.267 11.756 1.00 0.02 C
ATOM 1359 CG2 VAL A 145 22.830 8.119 12.044 1.00 0.02 C
ATOM 0 H VAL A 145 24.720 8.324 10.235 1.00 0.02 H new
ATOM 0 HA VAL A 145 22.068 8.761 9.490 1.00 0.02 H new
ATOM 0 HB VAL A 145 23.695 10.041 11.723 1.00 0.02 H new
ATOM 0 HG11 VAL A 145 21.526 10.362 12.841 1.00 0.02 H new
ATOM 0 HG12 VAL A 145 21.619 11.259 11.306 1.00 0.02 H new
ATOM 0 HG13 VAL A 145 20.694 9.741 11.395 1.00 0.02 H new
ATOM 0 HG21 VAL A 145 22.759 8.243 13.125 1.00 0.02 H new
ATOM 0 HG22 VAL A 145 21.979 7.537 11.690 1.00 0.02 H new
ATOM 0 HG23 VAL A 145 23.755 7.597 11.799 1.00 0.02 H new
ATOM 1369 N ALA A 146 24.085 11.323 9.084 1.00 0.02 N
ATOM 1370 CA ALA A 146 24.211 12.648 8.488 1.00 0.02 C
ATOM 1371 C ALA A 146 23.593 12.683 7.095 1.00 0.02 C
ATOM 1372 O ALA A 146 22.893 13.631 6.738 1.00 0.02 O
ATOM 1373 CB ALA A 146 25.673 13.059 8.427 1.00 0.02 C
ATOM 0 H ALA A 146 24.968 10.914 9.392 1.00 0.02 H new
ATOM 0 HA ALA A 146 23.670 13.356 9.116 1.00 0.02 H new
ATOM 0 HB1 ALA A 146 25.754 14.050 7.980 1.00 0.02 H new
ATOM 0 HB2 ALA A 146 26.087 13.081 9.435 1.00 0.02 H new
ATOM 0 HB3 ALA A 146 26.228 12.342 7.822 1.00 0.02 H new
ATOM 1379 N PHE A 147 23.858 11.644 6.311 1.00 0.02 N
ATOM 1380 CA PHE A 147 23.329 11.555 4.956 1.00 0.02 C
ATOM 1381 C PHE A 147 21.826 11.810 4.945 1.00 0.02 C
ATOM 1382 O PHE A 147 21.327 12.610 4.153 1.00 0.02 O
ATOM 1383 CB PHE A 147 23.630 10.178 4.361 1.00 0.02 C
ATOM 1384 CG PHE A 147 22.764 9.827 3.185 1.00 0.02 C
ATOM 1385 CD1 PHE A 147 21.513 9.261 3.374 1.00 1.13 C
ATOM 1386 CD2 PHE A 147 23.202 10.062 1.892 1.00 1.12 C
ATOM 1387 CE1 PHE A 147 20.714 8.936 2.293 1.00 1.13 C
ATOM 1388 CE2 PHE A 147 22.408 9.739 0.808 1.00 1.12 C
ATOM 1389 CZ PHE A 147 21.163 9.176 1.008 1.00 0.04 C
ATOM 0 H PHE A 147 24.436 10.852 6.591 1.00 0.02 H new
ATOM 0 HA PHE A 147 23.814 12.319 4.349 1.00 0.02 H new
ATOM 0 HB2 PHE A 147 24.675 10.145 4.054 1.00 0.02 H new
ATOM 0 HB3 PHE A 147 23.501 9.421 5.135 1.00 0.02 H new
ATOM 0 HD1 PHE A 147 21.158 9.072 4.376 1.00 1.13 H new
ATOM 0 HD2 PHE A 147 24.175 10.502 1.729 1.00 1.12 H new
ATOM 0 HE1 PHE A 147 19.741 8.495 2.453 1.00 1.13 H new
ATOM 0 HE2 PHE A 147 22.761 9.927 -0.195 1.00 1.12 H new
ATOM 0 HZ PHE A 147 20.541 8.924 0.162 1.00 0.04 H new
ATOM 1399 N PHE A 148 21.110 11.124 5.829 1.00 0.02 N
ATOM 1400 CA PHE A 148 19.663 11.272 5.925 1.00 0.01 C
ATOM 1401 C PHE A 148 19.289 12.659 6.437 1.00 0.02 C
ATOM 1402 O PHE A 148 18.544 13.392 5.786 1.00 0.01 O
ATOM 1403 CB PHE A 148 19.081 10.204 6.851 1.00 0.01 C
ATOM 1404 CG PHE A 148 19.116 8.820 6.269 1.00 0.01 C
ATOM 1405 CD1 PHE A 148 18.694 8.590 4.969 1.00 1.19 C
ATOM 1406 CD2 PHE A 148 19.570 7.750 7.022 1.00 1.19 C
ATOM 1407 CE1 PHE A 148 18.724 7.317 4.432 1.00 1.20 C
ATOM 1408 CE2 PHE A 148 19.602 6.475 6.491 1.00 1.20 C
ATOM 1409 CZ PHE A 148 19.179 6.258 5.194 1.00 0.01 C
ATOM 0 H PHE A 148 21.510 10.458 6.491 1.00 0.02 H new
ATOM 0 HA PHE A 148 19.245 11.147 4.926 1.00 0.01 H new
ATOM 0 HB2 PHE A 148 19.634 10.208 7.790 1.00 0.01 H new
ATOM 0 HB3 PHE A 148 18.049 10.464 7.088 1.00 0.01 H new
ATOM 0 HD1 PHE A 148 18.338 9.415 4.369 1.00 1.19 H new
ATOM 0 HD2 PHE A 148 19.903 7.914 8.036 1.00 1.19 H new
ATOM 0 HE1 PHE A 148 18.392 7.150 3.418 1.00 1.20 H new
ATOM 0 HE2 PHE A 148 19.957 5.649 7.089 1.00 1.20 H new
ATOM 0 HZ PHE A 148 19.204 5.262 4.776 1.00 0.01 H new
ATOM 1419 N SER A 149 19.808 13.009 7.610 1.00 0.02 N
ATOM 1420 CA SER A 149 19.529 14.306 8.216 1.00 0.02 C
ATOM 1421 C SER A 149 19.697 15.432 7.201 1.00 0.02 C
ATOM 1422 O SER A 149 18.998 16.443 7.261 1.00 0.02 O
ATOM 1423 CB SER A 149 20.451 14.542 9.413 1.00 0.02 C
ATOM 1424 OG SER A 149 19.704 14.835 10.581 1.00 1.15 O
ATOM 0 H SER A 149 20.425 12.411 8.160 1.00 0.02 H new
ATOM 0 HA SER A 149 18.494 14.302 8.557 1.00 0.02 H new
ATOM 0 HB2 SER A 149 21.066 13.658 9.583 1.00 0.02 H new
ATOM 0 HB3 SER A 149 21.131 15.366 9.196 1.00 0.02 H new
ATOM 0 HG SER A 149 20.109 14.383 11.350 1.00 1.15 H new
ATOM 1430 N PHE A 150 20.625 15.249 6.268 1.00 0.02 N
ATOM 1431 CA PHE A 150 20.879 16.251 5.241 1.00 0.02 C
ATOM 1432 C PHE A 150 19.743 16.282 4.223 1.00 0.02 C
ATOM 1433 O PHE A 150 19.271 17.352 3.836 1.00 0.02 O
ATOM 1434 CB PHE A 150 22.203 15.968 4.531 1.00 0.02 C
ATOM 1435 CG PHE A 150 22.467 16.889 3.375 1.00 0.02 C
ATOM 1436 CD1 PHE A 150 21.958 16.607 2.117 1.00 1.20 C
ATOM 1437 CD2 PHE A 150 23.222 18.038 3.547 1.00 1.18 C
ATOM 1438 CE1 PHE A 150 22.198 17.455 1.052 1.00 1.21 C
ATOM 1439 CE2 PHE A 150 23.464 18.890 2.486 1.00 1.18 C
ATOM 1440 CZ PHE A 150 22.951 18.598 1.237 1.00 0.06 C
ATOM 0 H PHE A 150 21.212 14.418 6.202 1.00 0.02 H new
ATOM 0 HA PHE A 150 20.939 17.224 5.728 1.00 0.02 H new
ATOM 0 HB2 PHE A 150 23.018 16.055 5.249 1.00 0.02 H new
ATOM 0 HB3 PHE A 150 22.202 14.938 4.173 1.00 0.02 H new
ATOM 0 HD1 PHE A 150 21.368 15.715 1.967 1.00 1.20 H new
ATOM 0 HD2 PHE A 150 23.626 18.270 4.521 1.00 1.18 H new
ATOM 0 HE1 PHE A 150 21.797 17.224 0.076 1.00 1.21 H new
ATOM 0 HE2 PHE A 150 24.053 19.783 2.633 1.00 1.18 H new
ATOM 0 HZ PHE A 150 23.138 19.262 0.406 1.00 0.06 H new
ATOM 1450 N GLY A 151 19.309 15.101 3.793 1.00 0.02 N
ATOM 1451 CA GLY A 151 18.233 15.013 2.823 1.00 0.02 C
ATOM 1452 C GLY A 151 16.933 15.592 3.346 1.00 0.02 C
ATOM 1453 O GLY A 151 16.255 16.343 2.646 1.00 0.02 O
ATOM 0 H GLY A 151 19.684 14.203 4.099 1.00 0.02 H new
ATOM 0 HA2 GLY A 151 18.523 15.541 1.914 1.00 0.02 H new
ATOM 0 HA3 GLY A 151 18.079 13.969 2.550 1.00 0.02 H new
ATOM 1457 N GLY A 152 16.587 15.243 4.581 1.00 0.02 N
ATOM 1458 CA GLY A 152 15.362 15.744 5.176 1.00 0.02 C
ATOM 1459 C GLY A 152 15.293 17.257 5.160 1.00 0.02 C
ATOM 1460 O GLY A 152 14.268 17.835 4.798 1.00 0.02 O
ATOM 0 H GLY A 152 17.132 14.623 5.180 1.00 0.02 H new
ATOM 0 HA2 GLY A 152 14.506 15.338 4.637 1.00 0.02 H new
ATOM 0 HA3 GLY A 152 15.289 15.390 6.204 1.00 0.02 H new
ATOM 1464 N ALA A 153 16.388 17.901 5.550 1.00 0.02 N
ATOM 1465 CA ALA A 153 16.450 19.356 5.577 1.00 0.02 C
ATOM 1466 C ALA A 153 16.114 19.940 4.209 1.00 0.02 C
ATOM 1467 O ALA A 153 15.380 20.923 4.105 1.00 0.02 O
ATOM 1468 CB ALA A 153 17.829 19.816 6.025 1.00 0.02 C
ATOM 0 H ALA A 153 17.245 17.437 5.852 1.00 0.02 H new
ATOM 0 HA ALA A 153 15.710 19.717 6.291 1.00 0.02 H new
ATOM 0 HB1 ALA A 153 17.862 20.905 6.041 1.00 0.02 H new
ATOM 0 HB2 ALA A 153 18.034 19.432 7.024 1.00 0.02 H new
ATOM 0 HB3 ALA A 153 18.581 19.440 5.331 1.00 0.02 H new
ATOM 1474 N LEU A 154 16.656 19.325 3.162 1.00 0.02 N
ATOM 1475 CA LEU A 154 16.413 19.781 1.799 1.00 0.02 C
ATOM 1476 C LEU A 154 14.928 19.710 1.459 1.00 0.02 C
ATOM 1477 O LEU A 154 14.369 20.640 0.878 1.00 0.02 O
ATOM 1478 CB LEU A 154 17.218 18.938 0.807 1.00 0.02 C
ATOM 1479 CG LEU A 154 18.736 19.088 0.914 1.00 0.02 C
ATOM 1480 CD1 LEU A 154 19.436 18.109 -0.015 1.00 0.11 C
ATOM 1481 CD2 LEU A 154 19.153 20.517 0.598 1.00 0.13 C
ATOM 0 H LEU A 154 17.266 18.510 3.232 1.00 0.02 H new
ATOM 0 HA LEU A 154 16.734 20.820 1.726 1.00 0.02 H new
ATOM 0 HB2 LEU A 154 16.961 17.889 0.952 1.00 0.02 H new
ATOM 0 HB3 LEU A 154 16.912 19.204 -0.205 1.00 0.02 H new
ATOM 0 HG LEU A 154 19.034 18.861 1.938 1.00 0.02 H new
ATOM 0 HD11 LEU A 154 20.515 18.230 0.075 1.00 0.11 H new
ATOM 0 HD12 LEU A 154 19.162 17.090 0.257 1.00 0.11 H new
ATOM 0 HD13 LEU A 154 19.133 18.304 -1.044 1.00 0.11 H new
ATOM 0 HD21 LEU A 154 20.236 20.606 0.679 1.00 0.13 H new
ATOM 0 HD22 LEU A 154 18.843 20.771 -0.416 1.00 0.13 H new
ATOM 0 HD23 LEU A 154 18.679 21.199 1.304 1.00 0.13 H new
ATOM 1493 N CYS A 155 14.294 18.602 1.829 1.00 0.02 N
ATOM 1494 CA CYS A 155 12.873 18.411 1.566 1.00 0.02 C
ATOM 1495 C CYS A 155 12.045 19.481 2.270 1.00 0.02 C
ATOM 1496 O CYS A 155 11.159 20.090 1.670 1.00 0.02 O
ATOM 1497 CB CYS A 155 12.428 17.021 2.023 1.00 0.01 C
ATOM 1498 SG CYS A 155 12.805 15.701 0.846 1.00 0.30 S
ATOM 0 H CYS A 155 14.742 17.823 2.312 1.00 0.02 H new
ATOM 0 HA CYS A 155 12.712 18.498 0.491 1.00 0.02 H new
ATOM 0 HB2 CYS A 155 12.908 16.792 2.975 1.00 0.01 H new
ATOM 0 HB3 CYS A 155 11.353 17.036 2.203 1.00 0.01 H new
ATOM 0 HG CYS A 155 13.992 15.229 1.088 1.00 0.30 H new
ATOM 1504 N VAL A 156 12.342 19.706 3.547 1.00 0.02 N
ATOM 1505 CA VAL A 156 11.627 20.705 4.332 1.00 0.02 C
ATOM 1506 C VAL A 156 11.738 22.083 3.690 1.00 0.02 C
ATOM 1507 O VAL A 156 10.792 22.870 3.716 1.00 0.02 O
ATOM 1508 CB VAL A 156 12.165 20.779 5.773 1.00 0.02 C
ATOM 1509 CG1 VAL A 156 11.471 21.888 6.548 1.00 0.02 C
ATOM 1510 CG2 VAL A 156 11.995 19.441 6.477 1.00 0.02 C
ATOM 0 H VAL A 156 13.072 19.210 4.059 1.00 0.02 H new
ATOM 0 HA VAL A 156 10.581 20.399 4.359 1.00 0.02 H new
ATOM 0 HB VAL A 156 13.230 21.009 5.730 1.00 0.02 H new
ATOM 0 HG11 VAL A 156 11.865 21.924 7.564 1.00 0.02 H new
ATOM 0 HG12 VAL A 156 11.650 22.844 6.055 1.00 0.02 H new
ATOM 0 HG13 VAL A 156 10.399 21.693 6.582 1.00 0.02 H new
ATOM 0 HG21 VAL A 156 12.381 19.513 7.494 1.00 0.02 H new
ATOM 0 HG22 VAL A 156 10.938 19.178 6.508 1.00 0.02 H new
ATOM 0 HG23 VAL A 156 12.544 18.672 5.934 1.00 0.02 H new
ATOM 1520 N GLU A 157 12.901 22.367 3.112 1.00 0.02 N
ATOM 1521 CA GLU A 157 13.138 23.650 2.460 1.00 0.02 C
ATOM 1522 C GLU A 157 12.303 23.773 1.190 1.00 0.02 C
ATOM 1523 O GLU A 157 11.678 24.804 0.943 1.00 0.02 O
ATOM 1524 CB GLU A 157 14.622 23.809 2.127 1.00 0.02 C
ATOM 1525 CG GLU A 157 14.965 25.148 1.495 1.00 0.03 C
ATOM 1526 CD GLU A 157 16.431 25.260 1.126 1.00 0.90 C
ATOM 1527 OE1 GLU A 157 17.238 24.462 1.649 1.00 1.79 O
ATOM 1528 OE2 GLU A 157 16.774 26.146 0.315 1.00 1.42 O
ATOM 0 H GLU A 157 13.694 21.726 3.082 1.00 0.02 H new
ATOM 0 HA GLU A 157 12.841 24.442 3.148 1.00 0.02 H new
ATOM 0 HB2 GLU A 157 15.205 23.688 3.040 1.00 0.02 H new
ATOM 0 HB3 GLU A 157 14.921 23.010 1.449 1.00 0.02 H new
ATOM 0 HG2 GLU A 157 14.357 25.290 0.601 1.00 0.03 H new
ATOM 0 HG3 GLU A 157 14.706 25.949 2.187 1.00 0.03 H new
ATOM 1535 N SER A 158 12.297 22.712 0.389 1.00 0.02 N
ATOM 1536 CA SER A 158 11.537 22.698 -0.856 1.00 0.02 C
ATOM 1537 C SER A 158 10.067 23.008 -0.597 1.00 0.02 C
ATOM 1538 O SER A 158 9.435 23.747 -1.352 1.00 0.02 O
ATOM 1539 CB SER A 158 11.670 21.338 -1.543 1.00 0.02 C
ATOM 1540 OG SER A 158 10.910 20.350 -0.868 1.00 1.33 O
ATOM 0 H SER A 158 12.810 21.851 0.580 1.00 0.02 H new
ATOM 0 HA SER A 158 11.943 23.469 -1.511 1.00 0.02 H new
ATOM 0 HB2 SER A 158 11.335 21.415 -2.577 1.00 0.02 H new
ATOM 0 HB3 SER A 158 12.718 21.041 -1.568 1.00 0.02 H new
ATOM 0 HG SER A 158 11.335 20.140 -0.010 1.00 1.33 H new
ATOM 1546 N VAL A 159 9.529 22.439 0.477 1.00 0.02 N
ATOM 1547 CA VAL A 159 8.134 22.653 0.838 1.00 0.02 C
ATOM 1548 C VAL A 159 7.879 24.112 1.202 1.00 0.02 C
ATOM 1549 O VAL A 159 6.853 24.684 0.833 1.00 0.02 O
ATOM 1550 CB VAL A 159 7.717 21.762 2.023 1.00 0.02 C
ATOM 1551 CG1 VAL A 159 6.228 21.901 2.300 1.00 0.02 C
ATOM 1552 CG2 VAL A 159 8.084 20.310 1.753 1.00 0.02 C
ATOM 0 H VAL A 159 10.039 21.826 1.112 1.00 0.02 H new
ATOM 0 HA VAL A 159 7.537 22.388 -0.035 1.00 0.02 H new
ATOM 0 HB VAL A 159 8.259 22.092 2.910 1.00 0.02 H new
ATOM 0 HG11 VAL A 159 5.953 21.264 3.141 1.00 0.02 H new
ATOM 0 HG12 VAL A 159 5.998 22.939 2.541 1.00 0.02 H new
ATOM 0 HG13 VAL A 159 5.664 21.600 1.417 1.00 0.02 H new
ATOM 0 HG21 VAL A 159 7.782 19.695 2.601 1.00 0.02 H new
ATOM 0 HG22 VAL A 159 7.572 19.966 0.854 1.00 0.02 H new
ATOM 0 HG23 VAL A 159 9.161 20.228 1.610 1.00 0.02 H new
ATOM 1562 N ASP A 160 8.819 24.708 1.928 1.00 0.02 N
ATOM 1563 CA ASP A 160 8.698 26.100 2.344 1.00 0.02 C
ATOM 1564 C ASP A 160 8.549 27.020 1.135 1.00 0.02 C
ATOM 1565 O ASP A 160 7.862 28.039 1.200 1.00 0.03 O
ATOM 1566 CB ASP A 160 9.918 26.517 3.168 1.00 0.03 C
ATOM 1567 CG ASP A 160 9.874 25.972 4.582 1.00 0.03 C
ATOM 1568 OD1 ASP A 160 9.226 24.926 4.796 1.00 1.09 O
ATOM 1569 OD2 ASP A 160 10.488 26.592 5.477 1.00 1.09 O
ATOM 0 H ASP A 160 9.674 24.248 2.241 1.00 0.02 H new
ATOM 0 HA ASP A 160 7.803 26.191 2.960 1.00 0.02 H new
ATOM 0 HB2 ASP A 160 10.824 26.166 2.674 1.00 0.03 H new
ATOM 0 HB3 ASP A 160 9.975 27.605 3.202 1.00 0.03 H new
ATOM 1574 N LYS A 161 9.199 26.655 0.035 1.00 0.02 N
ATOM 1575 CA LYS A 161 9.140 27.450 -1.186 1.00 0.02 C
ATOM 1576 C LYS A 161 8.119 26.876 -2.165 1.00 0.02 C
ATOM 1577 O LYS A 161 8.276 26.997 -3.380 1.00 0.02 O
ATOM 1578 CB LYS A 161 10.520 27.511 -1.846 1.00 0.02 C
ATOM 1579 CG LYS A 161 11.614 28.020 -0.922 1.00 0.03 C
ATOM 1580 CD LYS A 161 12.242 29.299 -1.453 1.00 1.01 C
ATOM 1581 CE LYS A 161 13.416 29.741 -0.594 1.00 0.93 C
ATOM 1582 NZ LYS A 161 14.485 30.389 -1.404 1.00 1.49 N
ATOM 0 H LYS A 161 9.772 25.814 -0.036 1.00 0.02 H new
ATOM 0 HA LYS A 161 8.827 28.459 -0.917 1.00 0.02 H new
ATOM 0 HB2 LYS A 161 10.789 26.516 -2.200 1.00 0.02 H new
ATOM 0 HB3 LYS A 161 10.466 28.157 -2.722 1.00 0.02 H new
ATOM 0 HG2 LYS A 161 11.199 28.202 0.069 1.00 0.03 H new
ATOM 0 HG3 LYS A 161 12.383 27.255 -0.811 1.00 0.03 H new
ATOM 0 HD2 LYS A 161 12.578 29.142 -2.478 1.00 1.01 H new
ATOM 0 HD3 LYS A 161 11.492 30.090 -1.481 1.00 1.01 H new
ATOM 0 HE2 LYS A 161 13.066 30.437 0.168 1.00 0.93 H new
ATOM 0 HE3 LYS A 161 13.829 28.878 -0.072 1.00 0.93 H new
ATOM 0 HZ1 LYS A 161 15.267 30.676 -0.781 1.00 1.49 H new
ATOM 0 HZ2 LYS A 161 14.837 29.717 -2.115 1.00 1.49 H new
ATOM 0 HZ3 LYS A 161 14.098 31.228 -1.882 1.00 1.49 H new
ATOM 1596 N GLU A 162 7.074 26.253 -1.628 1.00 0.00 N
ATOM 1597 CA GLU A 162 6.026 25.661 -2.454 1.00 0.00 C
ATOM 1598 C GLU A 162 6.625 24.819 -3.576 1.00 0.00 C
ATOM 1599 O GLU A 162 6.454 25.127 -4.756 1.00 0.00 O
ATOM 1600 CB GLU A 162 5.110 26.783 -3.018 1.00 0.00 C
ATOM 1601 CG GLU A 162 4.109 27.459 -2.024 1.00 0.00 C
ATOM 1602 CD GLU A 162 3.063 28.423 -2.589 1.00 0.00 C
ATOM 1603 OE1 GLU A 162 2.549 29.313 -1.924 1.00 0.00 O
ATOM 1604 OE2 GLU A 162 2.760 28.197 -3.897 1.00 0.00 O
ATOM 0 H GLU A 162 6.930 26.145 -0.624 1.00 0.00 H new
ATOM 0 HA GLU A 162 5.422 24.995 -1.837 1.00 0.00 H new
ATOM 0 HB2 GLU A 162 5.748 27.562 -3.436 1.00 0.00 H new
ATOM 0 HB3 GLU A 162 4.535 26.365 -3.844 1.00 0.00 H new
ATOM 0 HG2 GLU A 162 3.579 26.666 -1.496 1.00 0.00 H new
ATOM 0 HG3 GLU A 162 4.694 28.001 -1.281 1.00 0.00 H new
ATOM 1612 N MET A 163 7.328 23.755 -3.201 1.00 0.02 N
ATOM 1613 CA MET A 163 7.951 22.870 -4.177 1.00 0.02 C
ATOM 1614 C MET A 163 8.016 21.439 -3.651 1.00 0.02 C
ATOM 1615 O MET A 163 9.071 20.806 -3.674 1.00 0.02 O
ATOM 1616 CB MET A 163 9.358 23.365 -4.519 1.00 0.02 C
ATOM 1617 CG MET A 163 9.369 24.628 -5.365 0.50 0.02 C
ATOM 1618 SD MET A 163 10.767 24.691 -6.502 0.50 1.03 S
ATOM 1619 CE MET A 163 10.700 26.402 -7.028 0.50 1.17 C
ATOM 0 H MET A 163 7.480 23.485 -2.229 1.00 0.02 H new
ATOM 0 HA MET A 163 7.341 22.878 -5.080 1.00 0.02 H new
ATOM 0 HB2 MET A 163 9.903 23.552 -3.594 1.00 0.02 H new
ATOM 0 HB3 MET A 163 9.892 22.577 -5.050 1.00 0.02 H new
ATOM 0 HG2 MET A 163 8.441 24.688 -5.933 0.50 0.02 H new
ATOM 0 HG3 MET A 163 9.399 25.499 -4.710 0.50 0.02 H new
ATOM 0 HE1 MET A 163 11.505 26.597 -7.736 0.50 1.17 H new
ATOM 0 HE2 MET A 163 9.740 26.598 -7.506 0.50 1.17 H new
ATOM 0 HE3 MET A 163 10.814 27.054 -6.162 0.50 1.17 H new
ATOM 1629 N GLN A 164 6.880 20.935 -3.179 1.00 0.01 N
ATOM 1630 CA GLN A 164 6.808 19.578 -2.648 1.00 0.01 C
ATOM 1631 C GLN A 164 7.228 18.559 -3.702 1.00 0.01 C
ATOM 1632 O GLN A 164 7.807 17.521 -3.381 1.00 0.01 O
ATOM 1633 CB GLN A 164 5.391 19.272 -2.161 1.00 0.01 C
ATOM 1634 CG GLN A 164 5.175 19.574 -0.687 1.00 0.01 C
ATOM 1635 CD GLN A 164 3.822 19.107 -0.187 1.00 0.69 C
ATOM 1636 OE1 GLN A 164 2.892 18.913 -0.969 1.00 1.57 O
ATOM 1637 NE2 GLN A 164 3.707 18.926 1.124 1.00 0.94 N
ATOM 0 H GLN A 164 5.997 21.445 -3.153 1.00 0.01 H new
ATOM 0 HA GLN A 164 7.496 19.507 -1.806 1.00 0.01 H new
ATOM 0 HB2 GLN A 164 4.680 19.852 -2.750 1.00 0.01 H new
ATOM 0 HB3 GLN A 164 5.172 18.220 -2.343 1.00 0.01 H new
ATOM 0 HG2 GLN A 164 5.960 19.093 -0.103 1.00 0.01 H new
ATOM 0 HG3 GLN A 164 5.268 20.648 -0.523 1.00 0.01 H new
ATOM 0 HE21 GLN A 164 4.505 19.099 1.735 1.00 0.94 H new
ATOM 0 HE22 GLN A 164 2.820 18.614 1.520 1.00 0.94 H new
ATOM 1646 N VAL A 165 6.933 18.863 -4.962 1.00 0.01 N
ATOM 1647 CA VAL A 165 7.280 17.975 -6.064 1.00 0.01 C
ATOM 1648 C VAL A 165 8.749 17.573 -6.003 1.00 0.01 C
ATOM 1649 O VAL A 165 9.114 16.457 -6.374 1.00 0.01 O
ATOM 1650 CB VAL A 165 7.000 18.636 -7.427 1.00 0.01 C
ATOM 1651 CG1 VAL A 165 7.913 19.834 -7.638 1.00 0.02 C
ATOM 1652 CG2 VAL A 165 7.162 17.627 -8.554 1.00 0.01 C
ATOM 0 H VAL A 165 6.454 19.718 -5.245 1.00 0.01 H new
ATOM 0 HA VAL A 165 6.656 17.087 -5.963 1.00 0.01 H new
ATOM 0 HB VAL A 165 5.969 18.990 -7.433 1.00 0.01 H new
ATOM 0 HG11 VAL A 165 7.700 20.288 -8.606 1.00 0.02 H new
ATOM 0 HG12 VAL A 165 7.741 20.566 -6.849 1.00 0.02 H new
ATOM 0 HG13 VAL A 165 8.953 19.508 -7.611 1.00 0.02 H new
ATOM 0 HG21 VAL A 165 6.960 18.112 -9.509 1.00 0.01 H new
ATOM 0 HG22 VAL A 165 8.181 17.240 -8.552 1.00 0.01 H new
ATOM 0 HG23 VAL A 165 6.461 16.805 -8.410 1.00 0.01 H new
ATOM 1662 N LEU A 166 9.589 18.490 -5.533 1.00 0.01 N
ATOM 1663 CA LEU A 166 11.020 18.233 -5.424 1.00 0.01 C
ATOM 1664 C LEU A 166 11.301 17.127 -4.412 1.00 0.01 C
ATOM 1665 O LEU A 166 12.273 16.383 -4.547 1.00 0.01 O
ATOM 1666 CB LEU A 166 11.758 19.510 -5.020 1.00 0.02 C
ATOM 1667 CG LEU A 166 12.385 20.288 -6.178 1.00 0.02 C
ATOM 1668 CD1 LEU A 166 11.996 21.757 -6.105 1.00 1.33 C
ATOM 1669 CD2 LEU A 166 13.898 20.133 -6.165 1.00 1.33 C
ATOM 0 H LEU A 166 9.303 19.418 -5.221 1.00 0.01 H new
ATOM 0 HA LEU A 166 11.380 17.906 -6.399 1.00 0.01 H new
ATOM 0 HB2 LEU A 166 11.061 20.165 -4.498 1.00 0.02 H new
ATOM 0 HB3 LEU A 166 12.543 19.249 -4.310 1.00 0.02 H new
ATOM 0 HG LEU A 166 12.006 19.879 -7.115 1.00 0.02 H new
ATOM 0 HD11 LEU A 166 12.451 22.296 -6.936 1.00 1.33 H new
ATOM 0 HD12 LEU A 166 10.911 21.849 -6.163 1.00 1.33 H new
ATOM 0 HD13 LEU A 166 12.347 22.180 -5.164 1.00 1.33 H new
ATOM 0 HD21 LEU A 166 14.328 20.693 -6.995 1.00 1.33 H new
ATOM 0 HD22 LEU A 166 14.295 20.516 -5.225 1.00 1.33 H new
ATOM 0 HD23 LEU A 166 14.157 19.079 -6.265 1.00 1.33 H new
ATOM 1681 N VAL A 167 10.446 17.023 -3.399 1.00 0.01 N
ATOM 1682 CA VAL A 167 10.605 16.006 -2.366 1.00 0.01 C
ATOM 1683 C VAL A 167 10.858 14.634 -2.981 1.00 0.01 C
ATOM 1684 O VAL A 167 11.824 13.955 -2.633 1.00 0.01 O
ATOM 1685 CB VAL A 167 9.363 15.927 -1.458 1.00 0.01 C
ATOM 1686 CG1 VAL A 167 9.454 14.724 -0.531 1.00 0.01 C
ATOM 1687 CG2 VAL A 167 9.201 17.212 -0.661 1.00 0.01 C
ATOM 0 H VAL A 167 9.637 17.630 -3.272 1.00 0.01 H new
ATOM 0 HA VAL A 167 11.467 16.298 -1.765 1.00 0.01 H new
ATOM 0 HB VAL A 167 8.482 15.805 -2.089 1.00 0.01 H new
ATOM 0 HG11 VAL A 167 8.568 14.685 0.103 1.00 0.01 H new
ATOM 0 HG12 VAL A 167 9.516 13.812 -1.124 1.00 0.01 H new
ATOM 0 HG13 VAL A 167 10.343 14.812 0.094 1.00 0.01 H new
ATOM 0 HG21 VAL A 167 8.319 17.137 -0.026 1.00 0.01 H new
ATOM 0 HG22 VAL A 167 10.083 17.369 -0.040 1.00 0.01 H new
ATOM 0 HG23 VAL A 167 9.085 18.052 -1.345 1.00 0.01 H new
ATOM 1697 N SER A 168 9.985 14.234 -3.899 1.00 0.01 N
ATOM 1698 CA SER A 168 10.116 12.943 -4.565 1.00 0.01 C
ATOM 1699 C SER A 168 11.502 12.791 -5.181 1.00 0.01 C
ATOM 1700 O SER A 168 12.111 11.723 -5.107 1.00 0.01 O
ATOM 1701 CB SER A 168 9.045 12.793 -5.647 1.00 0.01 C
ATOM 1702 OG SER A 168 8.970 11.455 -6.109 1.00 0.33 O
ATOM 0 H SER A 168 9.180 14.784 -4.199 1.00 0.01 H new
ATOM 0 HA SER A 168 9.980 12.160 -3.819 1.00 0.01 H new
ATOM 0 HB2 SER A 168 8.077 13.099 -5.250 1.00 0.01 H new
ATOM 0 HB3 SER A 168 9.271 13.457 -6.481 1.00 0.01 H new
ATOM 0 HG SER A 168 8.277 11.385 -6.799 1.00 0.33 H new
ATOM 1708 N ARG A 169 11.997 13.866 -5.785 1.00 0.01 N
ATOM 1709 CA ARG A 169 13.313 13.853 -6.410 1.00 0.02 C
ATOM 1710 C ARG A 169 14.394 13.523 -5.387 1.00 0.02 C
ATOM 1711 O ARG A 169 15.162 12.577 -5.563 1.00 0.02 O
ATOM 1712 CB ARG A 169 13.606 15.207 -7.060 1.00 0.02 C
ATOM 1713 CG ARG A 169 14.663 15.141 -8.150 1.00 0.02 C
ATOM 1714 CD ARG A 169 14.078 15.465 -9.515 1.00 0.89 C
ATOM 1715 NE ARG A 169 15.096 15.464 -10.562 1.00 0.75 N
ATOM 1716 CZ ARG A 169 14.824 15.437 -11.865 1.00 1.32 C
ATOM 1717 NH1 ARG A 169 13.566 15.412 -12.291 1.00 2.19 N
ATOM 1718 NH2 ARG A 169 15.814 15.436 -12.748 1.00 1.58 N
ATOM 0 H ARG A 169 11.506 14.757 -5.855 1.00 0.01 H new
ATOM 0 HA ARG A 169 13.316 13.081 -7.180 1.00 0.02 H new
ATOM 0 HB2 ARG A 169 12.684 15.605 -7.483 1.00 0.02 H new
ATOM 0 HB3 ARG A 169 13.932 15.907 -6.291 1.00 0.02 H new
ATOM 0 HG2 ARG A 169 15.466 15.842 -7.922 1.00 0.02 H new
ATOM 0 HG3 ARG A 169 15.105 14.145 -8.170 1.00 0.02 H new
ATOM 0 HD2 ARG A 169 13.305 14.736 -9.760 1.00 0.89 H new
ATOM 0 HD3 ARG A 169 13.595 16.442 -9.480 1.00 0.89 H new
ATOM 0 HE ARG A 169 16.075 15.485 -10.278 1.00 0.75 H new
ATOM 0 HH11 ARG A 169 12.800 15.413 -11.618 1.00 2.19 H new
ATOM 0 HH12 ARG A 169 13.367 15.391 -13.291 1.00 2.19 H new
ATOM 0 HH21 ARG A 169 16.782 15.456 -12.428 1.00 1.58 H new
ATOM 0 HH22 ARG A 169 15.607 15.415 -13.747 1.00 1.58 H new
ATOM 1732 N ILE A 170 14.445 14.306 -4.314 1.00 0.01 N
ATOM 1733 CA ILE A 170 15.429 14.093 -3.260 1.00 0.01 C
ATOM 1734 C ILE A 170 15.420 12.643 -2.791 1.00 0.01 C
ATOM 1735 O ILE A 170 16.471 12.054 -2.538 1.00 0.01 O
ATOM 1736 CB ILE A 170 15.170 15.013 -2.052 1.00 0.01 C
ATOM 1737 CG1 ILE A 170 15.439 16.472 -2.424 1.00 0.02 C
ATOM 1738 CG2 ILE A 170 16.034 14.593 -0.872 1.00 0.01 C
ATOM 1739 CD1 ILE A 170 14.566 17.457 -1.678 1.00 0.29 C
ATOM 0 H ILE A 170 13.817 15.093 -4.152 1.00 0.01 H new
ATOM 0 HA ILE A 170 16.404 14.332 -3.684 1.00 0.01 H new
ATOM 0 HB ILE A 170 14.123 14.920 -1.763 1.00 0.01 H new
ATOM 0 HG12 ILE A 170 16.485 16.702 -2.224 1.00 0.02 H new
ATOM 0 HG13 ILE A 170 15.284 16.600 -3.495 1.00 0.02 H new
ATOM 0 HG21 ILE A 170 15.840 15.252 -0.026 1.00 0.01 H new
ATOM 0 HG22 ILE A 170 15.796 13.566 -0.594 1.00 0.01 H new
ATOM 0 HG23 ILE A 170 17.086 14.659 -1.150 1.00 0.01 H new
ATOM 0 HD11 ILE A 170 14.812 18.471 -1.992 1.00 0.29 H new
ATOM 0 HD12 ILE A 170 13.518 17.253 -1.897 1.00 0.29 H new
ATOM 0 HD13 ILE A 170 14.739 17.357 -0.606 1.00 0.29 H new
ATOM 1751 N ALA A 171 14.225 12.071 -2.680 1.00 0.01 N
ATOM 1752 CA ALA A 171 14.077 10.688 -2.244 1.00 0.01 C
ATOM 1753 C ALA A 171 14.833 9.741 -3.169 1.00 0.01 C
ATOM 1754 O ALA A 171 15.572 8.869 -2.713 1.00 0.01 O
ATOM 1755 CB ALA A 171 12.605 10.308 -2.183 1.00 0.01 C
ATOM 0 H ALA A 171 13.345 12.544 -2.886 1.00 0.01 H new
ATOM 0 HA ALA A 171 14.504 10.598 -1.245 1.00 0.01 H new
ATOM 0 HB1 ALA A 171 12.510 9.273 -1.856 1.00 0.01 H new
ATOM 0 HB2 ALA A 171 12.090 10.960 -1.478 1.00 0.01 H new
ATOM 0 HB3 ALA A 171 12.159 10.419 -3.172 1.00 0.01 H new
ATOM 1761 N ALA A 172 14.646 9.922 -4.473 1.00 0.01 N
ATOM 1762 CA ALA A 172 15.314 9.087 -5.463 1.00 0.02 C
ATOM 1763 C ALA A 172 16.823 9.295 -5.421 1.00 0.02 C
ATOM 1764 O ALA A 172 17.593 8.334 -5.413 1.00 0.02 O
ATOM 1765 CB ALA A 172 14.776 9.385 -6.854 1.00 0.02 C
ATOM 0 H ALA A 172 14.038 10.639 -4.867 1.00 0.01 H new
ATOM 0 HA ALA A 172 15.109 8.044 -5.224 1.00 0.02 H new
ATOM 0 HB1 ALA A 172 15.284 8.754 -7.583 1.00 0.02 H new
ATOM 0 HB2 ALA A 172 13.705 9.182 -6.881 1.00 0.02 H new
ATOM 0 HB3 ALA A 172 14.952 10.433 -7.096 1.00 0.02 H new
ATOM 1771 N TRP A 173 17.240 10.557 -5.390 1.00 0.02 N
ATOM 1772 CA TRP A 173 18.659 10.892 -5.345 1.00 0.02 C
ATOM 1773 C TRP A 173 19.340 10.199 -4.171 1.00 0.02 C
ATOM 1774 O TRP A 173 20.490 9.771 -4.271 1.00 0.02 O
ATOM 1775 CB TRP A 173 18.845 12.407 -5.236 1.00 0.02 C
ATOM 1776 CG TRP A 173 18.626 13.130 -6.530 1.00 0.02 C
ATOM 1777 CD1 TRP A 173 18.082 12.620 -7.673 1.00 0.03 C
ATOM 1778 CD2 TRP A 173 18.949 14.497 -6.814 1.00 0.04 C
ATOM 1779 NE1 TRP A 173 18.046 13.585 -8.651 1.00 0.03 N
ATOM 1780 CE2 TRP A 173 18.572 14.746 -8.148 1.00 0.03 C
ATOM 1781 CE3 TRP A 173 19.518 15.534 -6.070 1.00 0.07 C
ATOM 1782 CZ2 TRP A 173 18.747 15.989 -8.751 1.00 0.05 C
ATOM 1783 CZ3 TRP A 173 19.692 16.767 -6.670 1.00 0.09 C
ATOM 1784 CH2 TRP A 173 19.307 16.986 -7.999 1.00 0.08 C
ATOM 0 H TRP A 173 16.616 11.364 -5.395 1.00 0.02 H new
ATOM 0 HA TRP A 173 19.120 10.544 -6.269 1.00 0.02 H new
ATOM 0 HB2 TRP A 173 18.154 12.797 -4.489 1.00 0.02 H new
ATOM 0 HB3 TRP A 173 19.853 12.617 -4.878 1.00 0.02 H new
ATOM 0 HD1 TRP A 173 17.731 11.606 -7.792 1.00 0.03 H new
ATOM 0 HE1 TRP A 173 17.686 13.458 -9.597 1.00 0.03 H new
ATOM 0 HE3 TRP A 173 19.817 15.375 -5.044 1.00 0.07 H new
ATOM 0 HZ2 TRP A 173 18.451 16.160 -9.776 1.00 0.05 H new
ATOM 0 HZ3 TRP A 173 20.132 17.575 -6.105 1.00 0.09 H new
ATOM 0 HH2 TRP A 173 19.455 17.961 -8.439 1.00 0.08 H new
ATOM 1795 N MET A 174 18.621 10.091 -3.058 1.00 0.02 N
ATOM 1796 CA MET A 174 19.154 9.447 -1.863 1.00 0.02 C
ATOM 1797 C MET A 174 19.250 7.938 -2.056 1.00 0.02 C
ATOM 1798 O MET A 174 20.274 7.327 -1.750 1.00 0.02 O
ATOM 1799 CB MET A 174 18.271 9.761 -0.653 1.00 0.01 C
ATOM 1800 CG MET A 174 18.382 11.200 -0.175 1.00 0.01 C
ATOM 1801 SD MET A 174 18.725 11.322 1.590 1.00 0.96 S
ATOM 1802 CE MET A 174 17.225 10.622 2.272 1.00 0.40 C
ATOM 0 H MET A 174 17.668 10.441 -2.959 1.00 0.02 H new
ATOM 0 HA MET A 174 20.156 9.838 -1.686 1.00 0.02 H new
ATOM 0 HB2 MET A 174 17.232 9.551 -0.908 1.00 0.01 H new
ATOM 0 HB3 MET A 174 18.540 9.093 0.166 1.00 0.01 H new
ATOM 0 HG2 MET A 174 19.174 11.703 -0.730 1.00 0.01 H new
ATOM 0 HG3 MET A 174 17.453 11.725 -0.398 1.00 0.01 H new
ATOM 0 HE1 MET A 174 17.011 11.087 3.234 1.00 0.40 H new
ATOM 0 HE2 MET A 174 16.395 10.804 1.589 1.00 0.40 H new
ATOM 0 HE3 MET A 174 17.354 9.548 2.409 1.00 0.40 H new
ATOM 1812 N ALA A 175 18.176 7.344 -2.565 1.00 0.02 N
ATOM 1813 CA ALA A 175 18.137 5.906 -2.800 1.00 0.02 C
ATOM 1814 C ALA A 175 19.309 5.458 -3.665 1.00 0.02 C
ATOM 1815 O ALA A 175 19.958 4.452 -3.378 1.00 0.02 O
ATOM 1816 CB ALA A 175 16.819 5.515 -3.450 1.00 0.02 C
ATOM 0 H ALA A 175 17.321 7.837 -2.823 1.00 0.02 H new
ATOM 0 HA ALA A 175 18.219 5.403 -1.837 1.00 0.02 H new
ATOM 0 HB1 ALA A 175 16.803 4.439 -3.620 1.00 0.02 H new
ATOM 0 HB2 ALA A 175 15.994 5.791 -2.794 1.00 0.02 H new
ATOM 0 HB3 ALA A 175 16.715 6.035 -4.403 1.00 0.02 H new
ATOM 1822 N THR A 176 19.576 6.212 -4.726 1.00 0.02 N
ATOM 1823 CA THR A 176 20.670 5.894 -5.634 1.00 0.02 C
ATOM 1824 C THR A 176 22.008 5.896 -4.904 1.00 0.02 C
ATOM 1825 O THR A 176 22.697 4.877 -4.843 1.00 0.02 O
ATOM 1826 CB THR A 176 20.737 6.893 -6.804 1.00 0.02 C
ATOM 1827 OG1 THR A 176 19.578 6.755 -7.634 1.00 0.02 O
ATOM 1828 CG2 THR A 176 21.991 6.668 -7.635 1.00 0.03 C
ATOM 0 H THR A 176 19.049 7.048 -4.978 1.00 0.02 H new
ATOM 0 HA THR A 176 20.474 4.896 -6.027 1.00 0.02 H new
ATOM 0 HB THR A 176 20.769 7.901 -6.391 1.00 0.02 H new
ATOM 0 HG1 THR A 176 19.628 7.395 -8.374 1.00 0.02 H new
ATOM 0 HG21 THR A 176 22.017 7.385 -8.456 1.00 0.03 H new
ATOM 0 HG22 THR A 176 22.872 6.802 -7.008 1.00 0.03 H new
ATOM 0 HG23 THR A 176 21.984 5.655 -8.038 1.00 0.03 H new
ATOM 1836 N TYR A 177 22.370 7.048 -4.351 1.00 0.02 N
ATOM 1837 CA TYR A 177 23.626 7.188 -3.623 1.00 0.02 C
ATOM 1838 C TYR A 177 23.741 6.136 -2.525 1.00 0.02 C
ATOM 1839 O TYR A 177 24.835 5.670 -2.209 1.00 0.02 O
ATOM 1840 CB TYR A 177 23.733 8.588 -3.017 1.00 0.02 C
ATOM 1841 CG TYR A 177 25.117 8.926 -2.513 1.00 0.02 C
ATOM 1842 CD1 TYR A 177 26.054 9.522 -3.348 1.00 1.12 C
ATOM 1843 CD2 TYR A 177 25.488 8.648 -1.203 1.00 1.13 C
ATOM 1844 CE1 TYR A 177 27.321 9.832 -2.892 1.00 1.12 C
ATOM 1845 CE2 TYR A 177 26.753 8.955 -0.740 1.00 1.13 C
ATOM 1846 CZ TYR A 177 27.665 9.547 -1.587 1.00 0.03 C
ATOM 1847 OH TYR A 177 28.926 9.854 -1.130 1.00 0.04 O
ATOM 0 H TYR A 177 21.811 7.900 -4.393 1.00 0.02 H new
ATOM 0 HA TYR A 177 24.444 7.040 -4.328 1.00 0.02 H new
ATOM 0 HB2 TYR A 177 23.439 9.323 -3.767 1.00 0.02 H new
ATOM 0 HB3 TYR A 177 23.025 8.673 -2.193 1.00 0.02 H new
ATOM 0 HD1 TYR A 177 25.788 9.747 -4.370 1.00 1.12 H new
ATOM 0 HD2 TYR A 177 24.776 8.185 -0.536 1.00 1.13 H new
ATOM 0 HE1 TYR A 177 28.038 10.295 -3.554 1.00 1.12 H new
ATOM 0 HE2 TYR A 177 27.026 8.732 0.281 1.00 1.13 H new
ATOM 0 HH TYR A 177 29.006 9.590 -0.190 1.00 0.04 H new
ATOM 1857 N LEU A 178 22.604 5.768 -1.943 1.00 0.02 N
ATOM 1858 CA LEU A 178 22.578 4.775 -0.875 1.00 0.02 C
ATOM 1859 C LEU A 178 22.965 3.393 -1.395 1.00 0.02 C
ATOM 1860 O LEU A 178 23.548 2.589 -0.667 1.00 0.02 O
ATOM 1861 CB LEU A 178 21.188 4.719 -0.238 1.00 0.02 C
ATOM 1862 CG LEU A 178 21.054 5.464 1.091 1.00 0.01 C
ATOM 1863 CD1 LEU A 178 19.622 5.933 1.295 1.00 1.28 C
ATOM 1864 CD2 LEU A 178 21.499 4.577 2.244 1.00 1.29 C
ATOM 0 H LEU A 178 21.689 6.142 -2.193 1.00 0.02 H new
ATOM 0 HA LEU A 178 23.308 5.074 -0.123 1.00 0.02 H new
ATOM 0 HB2 LEU A 178 20.465 5.131 -0.942 1.00 0.02 H new
ATOM 0 HB3 LEU A 178 20.919 3.675 -0.080 1.00 0.02 H new
ATOM 0 HG LEU A 178 21.701 6.341 1.064 1.00 0.01 H new
ATOM 0 HD11 LEU A 178 19.544 6.461 2.245 1.00 1.28 H new
ATOM 0 HD12 LEU A 178 19.339 6.603 0.483 1.00 1.28 H new
ATOM 0 HD13 LEU A 178 18.955 5.071 1.303 1.00 1.28 H new
ATOM 0 HD21 LEU A 178 21.397 5.122 3.182 1.00 1.29 H new
ATOM 0 HD22 LEU A 178 20.878 3.682 2.275 1.00 1.29 H new
ATOM 0 HD23 LEU A 178 22.541 4.291 2.102 1.00 1.29 H new
ATOM 1876 N ASN A 179 22.634 3.120 -2.653 1.00 0.02 N
ATOM 1877 CA ASN A 179 22.946 1.830 -3.259 1.00 0.02 C
ATOM 1878 C ASN A 179 24.128 1.936 -4.220 1.00 0.02 C
ATOM 1879 O ASN A 179 24.239 1.156 -5.166 1.00 0.03 O
ATOM 1880 CB ASN A 179 21.724 1.283 -3.998 1.00 0.02 C
ATOM 1881 CG ASN A 179 21.924 -0.143 -4.472 0.50 0.02 C
ATOM 1882 OD1 ASN A 179 22.184 -0.386 -5.650 0.50 0.96 O
ATOM 1883 ND2 ASN A 179 21.805 -1.095 -3.554 0.50 1.08 N
ATOM 0 H ASN A 179 22.151 3.772 -3.271 1.00 0.02 H new
ATOM 0 HA ASN A 179 23.221 1.145 -2.457 1.00 0.02 H new
ATOM 0 HB2 ASN A 179 20.856 1.326 -3.340 1.00 0.02 H new
ATOM 0 HB3 ASN A 179 21.506 1.920 -4.855 1.00 0.02 H new
ATOM 0 HD21 ASN A 179 21.930 -2.073 -3.814 0.50 1.08 H new
ATOM 0 HD22 ASN A 179 21.588 -0.848 -2.588 0.50 1.08 H new
ATOM 1890 N ASP A 180 25.009 2.903 -3.976 1.00 0.02 N
ATOM 1891 CA ASP A 180 26.176 3.098 -4.829 1.00 0.03 C
ATOM 1892 C ASP A 180 27.292 3.838 -4.093 1.00 0.03 C
ATOM 1893 O ASP A 180 28.128 4.488 -4.720 1.00 0.03 O
ATOM 1894 CB ASP A 180 25.785 3.874 -6.087 1.00 0.03 C
ATOM 1895 CG ASP A 180 24.912 3.061 -7.023 1.00 0.03 C
ATOM 1896 OD1 ASP A 180 25.321 1.940 -7.392 1.00 1.04 O
ATOM 1897 OD2 ASP A 180 23.820 3.545 -7.387 1.00 1.04 O
ATOM 0 H ASP A 180 24.937 3.560 -3.199 1.00 0.02 H new
ATOM 0 HA ASP A 180 26.550 2.113 -5.109 1.00 0.03 H new
ATOM 0 HB2 ASP A 180 25.256 4.783 -5.800 1.00 0.03 H new
ATOM 0 HB3 ASP A 180 26.687 4.184 -6.614 1.00 0.03 H new
ATOM 1902 N HIS A 181 27.305 3.736 -2.764 1.00 0.03 N
ATOM 1903 CA HIS A 181 28.325 4.400 -1.958 1.00 0.03 C
ATOM 1904 C HIS A 181 28.360 3.834 -0.541 1.00 0.02 C
ATOM 1905 O HIS A 181 29.381 3.310 -0.096 1.00 0.03 O
ATOM 1906 CB HIS A 181 28.064 5.908 -1.904 1.00 0.03 C
ATOM 1907 CG HIS A 181 28.555 6.648 -3.109 1.00 0.03 C
ATOM 1908 ND1 HIS A 181 27.883 7.169 -4.162 1.00 0.86 N flip
ATOM 1909 CD2 HIS A 181 29.888 6.923 -3.334 1.00 0.77 C flip
ATOM 1910 CE1 HIS A 181 28.812 7.743 -4.995 1.00 0.63 C flip
ATOM 1911 NE2 HIS A 181 30.013 7.582 -4.472 1.00 0.36 N flip
ATOM 0 H HIS A 181 26.623 3.202 -2.226 1.00 0.03 H new
ATOM 0 HA HIS A 181 29.292 4.218 -2.428 1.00 0.03 H new
ATOM 0 HB2 HIS A 181 26.993 6.079 -1.796 1.00 0.03 H new
ATOM 0 HB3 HIS A 181 28.544 6.319 -1.016 1.00 0.03 H new
ATOM 0 HD1 HIS A 181 26.874 7.141 -4.310 1.00 0.86 H new
ATOM 0 HD2 HIS A 181 30.702 6.643 -2.682 1.00 0.77 H new
ATOM 0 HE1 HIS A 181 28.595 8.245 -5.927 1.00 0.63 H new
ATOM 1920 N LEU A 182 27.240 3.951 0.164 1.00 0.02 N
ATOM 1921 CA LEU A 182 27.143 3.458 1.534 1.00 0.02 C
ATOM 1922 C LEU A 182 26.720 1.993 1.565 1.00 0.02 C
ATOM 1923 O LEU A 182 27.126 1.240 2.450 1.00 0.02 O
ATOM 1924 CB LEU A 182 26.148 4.302 2.332 1.00 0.03 C
ATOM 1925 CG LEU A 182 26.272 5.812 2.127 1.00 0.02 C
ATOM 1926 CD1 LEU A 182 25.175 6.543 2.886 1.00 1.02 C
ATOM 1927 CD2 LEU A 182 27.644 6.297 2.569 1.00 1.01 C
ATOM 0 H LEU A 182 26.386 4.383 -0.190 1.00 0.02 H new
ATOM 0 HA LEU A 182 28.130 3.539 1.989 1.00 0.02 H new
ATOM 0 HB2 LEU A 182 25.137 3.996 2.063 1.00 0.03 H new
ATOM 0 HB3 LEU A 182 26.276 4.083 3.392 1.00 0.03 H new
ATOM 0 HG LEU A 182 26.157 6.028 1.065 1.00 0.02 H new
ATOM 0 HD11 LEU A 182 25.278 7.617 2.729 1.00 1.02 H new
ATOM 0 HD12 LEU A 182 24.201 6.215 2.523 1.00 1.02 H new
ATOM 0 HD13 LEU A 182 25.259 6.322 3.950 1.00 1.02 H new
ATOM 0 HD21 LEU A 182 27.716 7.374 2.416 1.00 1.01 H new
ATOM 0 HD22 LEU A 182 27.787 6.070 3.625 1.00 1.01 H new
ATOM 0 HD23 LEU A 182 28.414 5.795 1.982 1.00 1.01 H new
ATOM 1939 N GLU A 183 25.897 1.597 0.599 1.00 0.02 N
ATOM 1940 CA GLU A 183 25.417 0.221 0.524 1.00 0.02 C
ATOM 1941 C GLU A 183 26.569 -0.771 0.676 1.00 0.02 C
ATOM 1942 O GLU A 183 26.517 -1.665 1.520 1.00 0.02 O
ATOM 1943 CB GLU A 183 24.670 -0.012 -0.796 1.00 0.03 C
ATOM 1944 CG GLU A 183 24.887 -1.393 -1.398 1.00 0.02 C
ATOM 1945 CD GLU A 183 24.430 -2.511 -0.479 1.00 1.02 C
ATOM 1946 OE1 GLU A 183 23.734 -2.216 0.515 1.00 1.69 O
ATOM 1947 OE2 GLU A 183 24.768 -3.682 -0.755 1.00 1.79 O
ATOM 0 H GLU A 183 25.549 2.207 -0.141 1.00 0.02 H new
ATOM 0 HA GLU A 183 24.724 0.056 1.349 1.00 0.02 H new
ATOM 0 HB2 GLU A 183 23.603 0.136 -0.628 1.00 0.03 H new
ATOM 0 HB3 GLU A 183 24.986 0.741 -1.518 1.00 0.03 H new
ATOM 0 HG2 GLU A 183 24.348 -1.462 -2.343 1.00 0.02 H new
ATOM 0 HG3 GLU A 183 25.945 -1.524 -1.624 1.00 0.02 H new
ATOM 1954 N PRO A 184 27.629 -0.627 -0.137 1.00 0.02 N
ATOM 1955 CA PRO A 184 28.793 -1.517 -0.078 1.00 0.03 C
ATOM 1956 C PRO A 184 29.372 -1.615 1.330 1.00 0.02 C
ATOM 1957 O PRO A 184 29.703 -2.702 1.802 1.00 0.02 O
ATOM 1958 CB PRO A 184 29.800 -0.856 -1.021 1.00 0.02 C
ATOM 1959 CG PRO A 184 28.972 -0.049 -1.960 1.00 0.03 C
ATOM 1960 CD PRO A 184 27.778 0.412 -1.172 1.00 0.05 C
ATOM 0 HA PRO A 184 28.537 -2.539 -0.357 1.00 0.03 H new
ATOM 0 HB2 PRO A 184 30.501 -0.227 -0.472 1.00 0.02 H new
ATOM 0 HB3 PRO A 184 30.390 -1.601 -1.555 1.00 0.02 H new
ATOM 0 HG2 PRO A 184 29.536 0.800 -2.346 1.00 0.03 H new
ATOM 0 HG3 PRO A 184 28.665 -0.645 -2.820 1.00 0.03 H new
ATOM 0 HD2 PRO A 184 27.942 1.396 -0.733 1.00 0.05 H new
ATOM 0 HD3 PRO A 184 26.888 0.487 -1.797 1.00 0.05 H new
ATOM 1968 N TRP A 185 29.493 -0.470 1.994 1.00 0.02 N
ATOM 1969 CA TRP A 185 30.035 -0.424 3.348 1.00 0.02 C
ATOM 1970 C TRP A 185 29.074 -1.064 4.344 1.00 0.02 C
ATOM 1971 O TRP A 185 29.467 -1.920 5.137 1.00 0.02 O
ATOM 1972 CB TRP A 185 30.321 1.022 3.756 1.00 0.02 C
ATOM 1973 CG TRP A 185 30.869 1.148 5.145 1.00 0.02 C
ATOM 1974 CD1 TRP A 185 32.179 1.066 5.520 1.00 0.08 C
ATOM 1975 CD2 TRP A 185 30.121 1.378 6.345 1.00 0.07 C
ATOM 1976 NE1 TRP A 185 32.291 1.230 6.880 1.00 0.06 N
ATOM 1977 CE2 TRP A 185 31.042 1.423 7.408 1.00 0.04 C
ATOM 1978 CE3 TRP A 185 28.761 1.551 6.623 1.00 0.15 C
ATOM 1979 CZ2 TRP A 185 30.647 1.634 8.727 1.00 0.09 C
ATOM 1980 CZ3 TRP A 185 28.371 1.760 7.933 1.00 0.21 C
ATOM 1981 CH2 TRP A 185 29.311 1.800 8.970 1.00 0.18 C
ATOM 0 H TRP A 185 29.223 0.438 1.617 1.00 0.02 H new
ATOM 0 HA TRP A 185 30.967 -0.989 3.357 1.00 0.02 H new
ATOM 0 HB2 TRP A 185 31.030 1.457 3.052 1.00 0.02 H new
ATOM 0 HB3 TRP A 185 29.401 1.602 3.682 1.00 0.02 H new
ATOM 0 HD1 TRP A 185 33.006 0.897 4.847 1.00 0.08 H new
ATOM 0 HE1 TRP A 185 33.162 1.211 7.410 1.00 0.06 H new
ATOM 0 HE3 TRP A 185 28.029 1.522 5.829 1.00 0.15 H new
ATOM 0 HZ2 TRP A 185 31.370 1.665 9.529 1.00 0.09 H new
ATOM 0 HZ3 TRP A 185 27.324 1.895 8.160 1.00 0.21 H new
ATOM 0 HH2 TRP A 185 28.974 1.965 9.983 1.00 0.18 H new
ATOM 1992 N ILE A 186 27.814 -0.643 4.300 1.00 0.02 N
ATOM 1993 CA ILE A 186 26.799 -1.175 5.201 1.00 0.02 C
ATOM 1994 C ILE A 186 26.838 -2.699 5.232 1.00 0.02 C
ATOM 1995 O ILE A 186 26.654 -3.313 6.283 1.00 0.02 O
ATOM 1996 CB ILE A 186 25.386 -0.717 4.793 1.00 0.02 C
ATOM 1997 CG1 ILE A 186 25.223 0.785 5.033 1.00 0.01 C
ATOM 1998 CG2 ILE A 186 24.333 -1.501 5.562 1.00 0.01 C
ATOM 1999 CD1 ILE A 186 23.891 1.330 4.565 1.00 0.93 C
ATOM 0 H ILE A 186 27.472 0.065 3.650 1.00 0.02 H new
ATOM 0 HA ILE A 186 27.024 -0.787 6.194 1.00 0.02 H new
ATOM 0 HB ILE A 186 25.250 -0.911 3.729 1.00 0.02 H new
ATOM 0 HG12 ILE A 186 25.336 0.989 6.098 1.00 0.01 H new
ATOM 0 HG13 ILE A 186 26.025 1.316 4.520 1.00 0.01 H new
ATOM 0 HG21 ILE A 186 23.340 -1.166 5.263 1.00 0.01 H new
ATOM 0 HG22 ILE A 186 24.439 -2.564 5.343 1.00 0.01 H new
ATOM 0 HG23 ILE A 186 24.465 -1.336 6.631 1.00 0.01 H new
ATOM 0 HD11 ILE A 186 23.845 2.400 4.766 1.00 0.93 H new
ATOM 0 HD12 ILE A 186 23.783 1.157 3.494 1.00 0.93 H new
ATOM 0 HD13 ILE A 186 23.084 0.825 5.097 1.00 0.93 H new
ATOM 2011 N GLN A 187 27.079 -3.303 4.073 1.00 0.02 N
ATOM 2012 CA GLN A 187 27.144 -4.756 3.967 1.00 0.02 C
ATOM 2013 C GLN A 187 28.385 -5.301 4.670 1.00 0.02 C
ATOM 2014 O GLN A 187 28.381 -6.424 5.174 1.00 0.02 O
ATOM 2015 CB GLN A 187 27.148 -5.182 2.498 1.00 0.02 C
ATOM 2016 CG GLN A 187 26.844 -6.657 2.291 1.00 0.02 C
ATOM 2017 CD GLN A 187 26.709 -7.025 0.827 1.00 0.93 C
ATOM 2018 OE1 GLN A 187 26.445 -6.170 -0.018 1.00 1.50 O
ATOM 2019 NE2 GLN A 187 26.891 -8.304 0.520 1.00 1.73 N
ATOM 0 H GLN A 187 27.233 -2.809 3.194 1.00 0.02 H new
ATOM 0 HA GLN A 187 26.262 -5.169 4.456 1.00 0.02 H new
ATOM 0 HB2 GLN A 187 26.413 -4.588 1.954 1.00 0.02 H new
ATOM 0 HB3 GLN A 187 28.123 -4.956 2.066 1.00 0.02 H new
ATOM 0 HG2 GLN A 187 27.638 -7.254 2.740 1.00 0.02 H new
ATOM 0 HG3 GLN A 187 25.921 -6.910 2.812 1.00 0.02 H new
ATOM 0 HE21 GLN A 187 27.108 -8.979 1.254 1.00 1.73 H new
ATOM 0 HE22 GLN A 187 26.813 -8.612 -0.449 1.00 1.73 H new
ATOM 2028 N GLU A 188 29.445 -4.499 4.699 1.00 0.02 N
ATOM 2029 CA GLU A 188 30.691 -4.904 5.339 1.00 0.02 C
ATOM 2030 C GLU A 188 30.809 -4.297 6.734 1.00 0.02 C
ATOM 2031 O GLU A 188 31.890 -3.878 7.149 1.00 0.02 O
ATOM 2032 CB GLU A 188 31.888 -4.483 4.484 1.00 0.02 C
ATOM 2033 CG GLU A 188 33.216 -5.021 4.988 1.00 0.03 C
ATOM 2034 CD GLU A 188 34.145 -5.428 3.861 1.00 1.30 C
ATOM 2035 OE1 GLU A 188 34.028 -6.575 3.380 1.00 2.14 O
ATOM 2036 OE2 GLU A 188 34.991 -4.601 3.460 1.00 2.07 O
ATOM 0 H GLU A 188 29.466 -3.566 4.287 1.00 0.02 H new
ATOM 0 HA GLU A 188 30.685 -5.990 5.434 1.00 0.02 H new
ATOM 0 HB2 GLU A 188 31.732 -4.826 3.461 1.00 0.02 H new
ATOM 0 HB3 GLU A 188 31.935 -3.395 4.452 1.00 0.02 H new
ATOM 0 HG2 GLU A 188 33.703 -4.261 5.599 1.00 0.03 H new
ATOM 0 HG3 GLU A 188 33.034 -5.881 5.633 1.00 0.03 H new
ATOM 2043 N ASN A 189 29.692 -4.252 7.452 1.00 0.02 N
ATOM 2044 CA ASN A 189 29.673 -3.696 8.801 1.00 0.02 C
ATOM 2045 C ASN A 189 28.501 -4.249 9.605 1.00 0.02 C
ATOM 2046 O ASN A 189 27.940 -3.560 10.457 1.00 0.01 O
ATOM 2047 CB ASN A 189 29.590 -2.169 8.742 1.00 0.02 C
ATOM 2048 CG ASN A 189 30.936 -1.528 8.464 1.00 0.02 C
ATOM 2049 OD1 ASN A 189 31.364 -1.430 7.314 1.00 0.79 O
ATOM 2050 ND2 ASN A 189 31.611 -1.088 9.519 1.00 0.89 N
ATOM 0 H ASN A 189 28.789 -4.593 7.123 1.00 0.02 H new
ATOM 0 HA ASN A 189 30.598 -3.986 9.299 1.00 0.02 H new
ATOM 0 HB2 ASN A 189 28.884 -1.876 7.965 1.00 0.02 H new
ATOM 0 HB3 ASN A 189 29.199 -1.792 9.687 1.00 0.02 H new
ATOM 0 HD21 ASN A 189 32.523 -0.648 9.394 1.00 0.89 H new
ATOM 0 HD22 ASN A 189 31.218 -1.190 10.455 1.00 0.89 H new
ATOM 2057 N GLY A 190 28.137 -5.498 9.331 1.00 0.02 N
ATOM 2058 CA GLY A 190 27.035 -6.122 10.040 1.00 0.01 C
ATOM 2059 C GLY A 190 25.685 -5.582 9.608 1.00 0.01 C
ATOM 2060 O GLY A 190 24.737 -5.564 10.393 1.00 0.01 O
ATOM 0 H GLY A 190 28.585 -6.089 8.631 1.00 0.02 H new
ATOM 0 HA2 GLY A 190 27.063 -7.199 9.872 1.00 0.01 H new
ATOM 0 HA3 GLY A 190 27.160 -5.963 11.111 1.00 0.01 H new
ATOM 2064 N GLY A 191 25.598 -5.141 8.357 1.00 0.01 N
ATOM 2065 CA GLY A 191 24.351 -4.605 7.845 1.00 0.01 C
ATOM 2066 C GLY A 191 23.765 -3.536 8.747 1.00 0.01 C
ATOM 2067 O GLY A 191 24.482 -2.915 9.532 1.00 0.01 O
ATOM 0 H GLY A 191 26.369 -5.145 7.689 1.00 0.01 H new
ATOM 0 HA2 GLY A 191 24.519 -4.186 6.853 1.00 0.01 H new
ATOM 0 HA3 GLY A 191 23.631 -5.415 7.731 1.00 0.01 H new
ATOM 2071 N TRP A 192 22.458 -3.322 8.635 1.00 0.01 N
ATOM 2072 CA TRP A 192 21.776 -2.321 9.446 1.00 0.01 C
ATOM 2073 C TRP A 192 21.464 -2.865 10.837 1.00 0.01 C
ATOM 2074 O TRP A 192 21.430 -2.116 11.813 1.00 0.01 O
ATOM 2075 CB TRP A 192 20.485 -1.872 8.760 1.00 0.01 C
ATOM 2076 CG TRP A 192 20.699 -0.802 7.733 1.00 0.01 C
ATOM 2077 CD1 TRP A 192 20.759 -0.966 6.379 1.00 0.03 C
ATOM 2078 CD2 TRP A 192 20.882 0.597 7.977 1.00 0.03 C
ATOM 2079 NE1 TRP A 192 20.969 0.245 5.766 1.00 0.02 N
ATOM 2080 CE2 TRP A 192 21.047 1.221 6.726 1.00 0.02 C
ATOM 2081 CE3 TRP A 192 20.921 1.384 9.132 1.00 0.06 C
ATOM 2082 CZ2 TRP A 192 21.248 2.593 6.598 1.00 0.04 C
ATOM 2083 CZ3 TRP A 192 21.121 2.746 9.003 1.00 0.08 C
ATOM 2084 CH2 TRP A 192 21.282 3.338 7.745 1.00 0.07 C
ATOM 0 H TRP A 192 21.851 -3.828 7.991 1.00 0.01 H new
ATOM 0 HA TRP A 192 22.440 -1.463 9.553 1.00 0.01 H new
ATOM 0 HB2 TRP A 192 20.016 -2.733 8.284 1.00 0.01 H new
ATOM 0 HB3 TRP A 192 19.789 -1.507 9.515 1.00 0.01 H new
ATOM 0 HD1 TRP A 192 20.656 -1.910 5.865 1.00 0.03 H new
ATOM 0 HE1 TRP A 192 21.053 0.394 4.760 1.00 0.02 H new
ATOM 0 HE3 TRP A 192 20.797 0.936 10.107 1.00 0.06 H new
ATOM 0 HZ2 TRP A 192 21.373 3.052 5.628 1.00 0.04 H new
ATOM 0 HZ3 TRP A 192 21.154 3.364 9.888 1.00 0.08 H new
ATOM 0 HH2 TRP A 192 21.436 4.405 7.678 1.00 0.07 H new
ATOM 2095 N ASP A 193 21.237 -4.173 10.919 1.00 0.00 N
ATOM 2096 CA ASP A 193 20.929 -4.818 12.190 1.00 0.00 C
ATOM 2097 C ASP A 193 21.905 -4.384 13.279 1.00 0.00 C
ATOM 2098 O ASP A 193 21.552 -4.329 14.457 1.00 0.00 O
ATOM 2099 CB ASP A 193 20.923 -6.357 11.999 1.00 0.00 C
ATOM 2100 CG ASP A 193 20.451 -7.198 13.194 1.00 0.00 C
ATOM 2101 OD1 ASP A 193 20.980 -8.251 13.519 1.00 0.00 O
ATOM 2102 OD2 ASP A 193 19.400 -6.631 13.860 1.00 0.00 O
ATOM 0 H ASP A 193 21.261 -4.806 10.120 1.00 0.00 H new
ATOM 0 HA ASP A 193 19.937 -4.507 12.519 1.00 0.00 H new
ATOM 0 HB2 ASP A 193 20.287 -6.592 11.145 1.00 0.00 H new
ATOM 0 HB3 ASP A 193 21.934 -6.672 11.739 1.00 0.00 H new
ATOM 2108 N THR A 194 23.133 -4.074 12.876 1.00 0.01 N
ATOM 2109 CA THR A 194 24.160 -3.643 13.816 1.00 0.01 C
ATOM 2110 C THR A 194 23.912 -2.212 14.281 1.00 0.01 C
ATOM 2111 O THR A 194 24.118 -1.883 15.449 1.00 0.01 O
ATOM 2112 CB THR A 194 25.565 -3.732 13.193 1.00 0.01 C
ATOM 2113 OG1 THR A 194 25.821 -5.070 12.749 1.00 0.01 O
ATOM 2114 CG2 THR A 194 26.630 -3.314 14.195 1.00 0.01 C
ATOM 0 H THR A 194 23.441 -4.113 11.904 1.00 0.01 H new
ATOM 0 HA THR A 194 24.108 -4.315 14.672 1.00 0.01 H new
ATOM 0 HB THR A 194 25.603 -3.053 12.341 1.00 0.01 H new
ATOM 0 HG1 THR A 194 25.137 -5.336 12.099 1.00 0.01 H new
ATOM 0 HG21 THR A 194 27.614 -3.385 13.731 1.00 0.01 H new
ATOM 0 HG22 THR A 194 26.451 -2.286 14.509 1.00 0.01 H new
ATOM 0 HG23 THR A 194 26.590 -3.971 15.064 1.00 0.01 H new
ATOM 2122 N PHE A 195 23.468 -1.364 13.358 1.00 0.01 N
ATOM 2123 CA PHE A 195 23.191 0.033 13.672 1.00 0.01 C
ATOM 2124 C PHE A 195 22.157 0.148 14.788 1.00 0.01 C
ATOM 2125 O PHE A 195 22.214 1.064 15.608 1.00 0.01 O
ATOM 2126 CB PHE A 195 22.696 0.769 12.426 1.00 0.01 C
ATOM 2127 CG PHE A 195 22.182 2.152 12.710 1.00 0.01 C
ATOM 2128 CD1 PHE A 195 20.848 2.359 13.025 1.00 1.12 C
ATOM 2129 CD2 PHE A 195 23.033 3.244 12.664 1.00 1.12 C
ATOM 2130 CE1 PHE A 195 20.374 3.630 13.288 1.00 1.13 C
ATOM 2131 CE2 PHE A 195 22.564 4.518 12.925 1.00 1.13 C
ATOM 2132 CZ PHE A 195 21.233 4.711 13.238 1.00 0.01 C
ATOM 0 H PHE A 195 23.292 -1.620 12.386 1.00 0.01 H new
ATOM 0 HA PHE A 195 24.119 0.492 14.013 1.00 0.01 H new
ATOM 0 HB2 PHE A 195 23.511 0.834 11.705 1.00 0.01 H new
ATOM 0 HB3 PHE A 195 21.903 0.184 11.960 1.00 0.01 H new
ATOM 0 HD1 PHE A 195 20.172 1.518 13.065 1.00 1.12 H new
ATOM 0 HD2 PHE A 195 24.075 3.098 12.421 1.00 1.12 H new
ATOM 0 HE1 PHE A 195 19.333 3.778 13.533 1.00 1.13 H new
ATOM 0 HE2 PHE A 195 23.238 5.361 12.884 1.00 1.13 H new
ATOM 0 HZ PHE A 195 20.864 5.705 13.443 1.00 0.01 H new
ATOM 2142 N VAL A 196 21.212 -0.787 14.813 1.00 0.01 N
ATOM 2143 CA VAL A 196 20.166 -0.788 15.829 1.00 0.01 C
ATOM 2144 C VAL A 196 20.662 -1.403 17.133 1.00 0.01 C
ATOM 2145 O VAL A 196 20.326 -0.933 18.220 1.00 0.01 O
ATOM 2146 CB VAL A 196 18.921 -1.560 15.355 1.00 0.01 C
ATOM 2147 CG1 VAL A 196 17.928 -1.724 16.495 1.00 0.01 C
ATOM 2148 CG2 VAL A 196 18.274 -0.857 14.171 1.00 0.01 C
ATOM 0 H VAL A 196 21.149 -1.553 14.142 1.00 0.01 H new
ATOM 0 HA VAL A 196 19.896 0.254 16.001 1.00 0.01 H new
ATOM 0 HB VAL A 196 19.234 -2.553 15.031 1.00 0.01 H new
ATOM 0 HG11 VAL A 196 17.055 -2.272 16.141 1.00 0.01 H new
ATOM 0 HG12 VAL A 196 18.397 -2.276 17.309 1.00 0.01 H new
ATOM 0 HG13 VAL A 196 17.619 -0.742 16.853 1.00 0.01 H new
ATOM 0 HG21 VAL A 196 17.396 -1.418 13.850 1.00 0.01 H new
ATOM 0 HG22 VAL A 196 17.975 0.149 14.464 1.00 0.01 H new
ATOM 0 HG23 VAL A 196 18.987 -0.798 13.349 1.00 0.01 H new
ATOM 2158 N GLU A 197 21.463 -2.457 17.016 1.00 0.01 N
ATOM 2159 CA GLU A 197 22.004 -3.138 18.187 1.00 0.01 C
ATOM 2160 C GLU A 197 22.929 -2.215 18.974 1.00 0.01 C
ATOM 2161 O GLU A 197 22.993 -2.284 20.201 1.00 0.02 O
ATOM 2162 CB GLU A 197 22.759 -4.400 17.766 1.00 0.01 C
ATOM 2163 CG GLU A 197 23.243 -5.238 18.937 1.00 0.01 C
ATOM 2164 CD GLU A 197 22.608 -6.615 18.969 1.00 0.98 C
ATOM 2165 OE1 GLU A 197 22.671 -7.322 17.942 1.00 1.45 O
ATOM 2166 OE2 GLU A 197 22.048 -6.986 20.022 1.00 1.83 O
ATOM 0 H GLU A 197 21.752 -2.858 16.124 1.00 0.01 H new
ATOM 0 HA GLU A 197 21.170 -3.420 18.830 1.00 0.01 H new
ATOM 0 HB2 GLU A 197 22.109 -5.009 17.138 1.00 0.01 H new
ATOM 0 HB3 GLU A 197 23.616 -4.114 17.156 1.00 0.01 H new
ATOM 0 HG2 GLU A 197 24.327 -5.343 18.881 1.00 0.01 H new
ATOM 0 HG3 GLU A 197 23.021 -4.717 19.868 1.00 0.01 H new
ATOM 2173 N LEU A 198 23.643 -1.352 18.260 1.00 0.01 N
ATOM 2174 CA LEU A 198 24.564 -0.414 18.892 1.00 0.02 C
ATOM 2175 C LEU A 198 23.883 0.928 19.142 1.00 0.02 C
ATOM 2176 O LEU A 198 24.027 1.518 20.213 1.00 0.02 O
ATOM 2177 CB LEU A 198 25.804 -0.218 18.019 1.00 0.02 C
ATOM 2178 CG LEU A 198 26.720 -1.438 17.911 1.00 0.01 C
ATOM 2179 CD1 LEU A 198 27.741 -1.244 16.801 1.00 0.40 C
ATOM 2180 CD2 LEU A 198 27.417 -1.700 19.238 1.00 0.39 C
ATOM 0 H LEU A 198 23.602 -1.282 17.243 1.00 0.01 H new
ATOM 0 HA LEU A 198 24.869 -0.831 19.852 1.00 0.02 H new
ATOM 0 HB2 LEU A 198 25.483 0.066 17.017 1.00 0.02 H new
ATOM 0 HB3 LEU A 198 26.381 0.617 18.417 1.00 0.02 H new
ATOM 0 HG LEU A 198 26.108 -2.306 17.666 1.00 0.01 H new
ATOM 0 HD11 LEU A 198 28.383 -2.122 16.740 1.00 0.40 H new
ATOM 0 HD12 LEU A 198 27.224 -1.106 15.851 1.00 0.40 H new
ATOM 0 HD13 LEU A 198 28.348 -0.365 17.015 1.00 0.40 H new
ATOM 0 HD21 LEU A 198 28.065 -2.572 19.143 1.00 0.39 H new
ATOM 0 HD22 LEU A 198 28.015 -0.831 19.512 1.00 0.39 H new
ATOM 0 HD23 LEU A 198 26.671 -1.885 20.011 1.00 0.39 H new
ATOM 2192 N TYR A 199 23.141 1.404 18.148 1.00 0.02 N
ATOM 2193 CA TYR A 199 22.435 2.675 18.261 1.00 0.02 C
ATOM 2194 C TYR A 199 20.957 2.506 17.928 1.00 0.02 C
ATOM 2195 O TYR A 199 20.561 2.575 16.765 1.00 0.17 O
ATOM 2196 CB TYR A 199 23.061 3.716 17.331 1.00 0.02 C
ATOM 2197 CG TYR A 199 24.573 3.698 17.328 1.00 0.02 C
ATOM 2198 CD1 TYR A 199 25.272 2.695 16.670 1.00 1.19 C
ATOM 2199 CD2 TYR A 199 25.299 4.686 17.980 1.00 1.19 C
ATOM 2200 CE1 TYR A 199 26.654 2.676 16.663 1.00 1.20 C
ATOM 2201 CE2 TYR A 199 26.681 4.675 17.977 1.00 1.19 C
ATOM 2202 CZ TYR A 199 27.353 3.668 17.317 1.00 0.02 C
ATOM 2203 OH TYR A 199 28.729 3.653 17.312 1.00 0.02 O
ATOM 0 H TYR A 199 23.013 0.929 17.255 1.00 0.02 H new
ATOM 0 HA TYR A 199 22.522 3.019 19.292 1.00 0.02 H new
ATOM 0 HB2 TYR A 199 22.703 3.546 16.316 1.00 0.02 H new
ATOM 0 HB3 TYR A 199 22.719 4.708 17.628 1.00 0.02 H new
ATOM 0 HD1 TYR A 199 24.727 1.917 16.155 1.00 1.19 H new
ATOM 0 HD2 TYR A 199 24.775 5.476 18.498 1.00 1.19 H new
ATOM 0 HE1 TYR A 199 27.183 1.888 16.148 1.00 1.20 H new
ATOM 0 HE2 TYR A 199 27.231 5.451 18.489 1.00 1.19 H new
ATOM 0 HH TYR A 199 29.066 4.422 17.817 1.00 0.02 H new
ATOM 2213 N GLY A 200 20.144 2.285 18.956 1.00 0.19 N
ATOM 2214 CA GLY A 200 18.719 2.109 18.749 1.00 0.20 C
ATOM 2215 C GLY A 200 17.955 1.976 20.052 1.00 1.11 C
ATOM 2216 O GLY A 200 16.864 2.572 20.164 1.00 2.00 O
ATOM 2217 OXT GLY A 200 18.448 1.274 20.960 1.00 1.73 O
ATOM 0 H GLY A 200 20.447 2.225 19.928 1.00 0.19 H new
ATOM 0 HA2 GLY A 200 18.329 2.958 18.188 1.00 0.20 H new
ATOM 0 HA3 GLY A 200 18.551 1.221 18.140 1.00 0.20 H new
TER 2221 GLY A 200
HETATM 2222 C LIW A1000 30.404 14.092 14.036 1.00 0.03 C
HETATM 2223 C1 LIW A1000 30.259 13.816 12.633 1.00 0.03 C
HETATM 2224 C2 LIW A1000 30.141 12.454 12.231 1.00 0.03 C
HETATM 2225 C3 LIW A1000 30.153 11.419 13.174 1.00 0.03 C
HETATM 2226 C4 LIW A1000 30.290 11.700 14.566 1.00 0.03 C
HETATM 2227 C5 LIW A1000 30.416 13.056 14.986 1.00 0.03 C
HETATM 2228 N LIW A1000 30.207 14.922 11.616 1.00 0.04 N
HETATM 2229 C6 LIW A1000 30.308 10.626 15.617 1.00 0.03 C
HETATM 2230 N1 LIW A1000 30.192 9.358 15.229 1.00 0.03 N
HETATM 2231 S LIW A1000 30.191 8.042 16.265 1.00 0.03 S
HETATM 2232 C7 LIW A1000 28.637 8.098 17.050 1.00 0.02 C
HETATM 2233 C8 LIW A1000 29.449 14.722 10.310 1.00 0.03 C
HETATM 2234 C9 LIW A1000 29.985 15.461 9.058 1.00 0.06 C
HETATM 2235 N2 LIW A1000 30.848 16.765 9.251 1.00 0.05 N
HETATM 2236 C10 LIW A1000 31.558 16.923 10.650 1.00 0.04 C
HETATM 2237 C11 LIW A1000 30.886 16.254 11.882 1.00 0.03 C
HETATM 2238 C12 LIW A1000 30.025 17.994 8.997 1.00 0.06 C
HETATM 2239 O LIW A1000 30.425 10.859 16.824 1.00 0.03 O
HETATM 2240 O1 LIW A1000 30.303 6.802 15.297 1.00 0.02 O
HETATM 2241 O2 LIW A1000 31.404 8.131 17.273 1.00 0.03 O
HETATM 2242 C13 LIW A1000 27.528 7.693 16.303 1.00 0.02 C
HETATM 2243 C14 LIW A1000 26.232 7.713 16.872 1.00 0.02 C
HETATM 2244 C15 LIW A1000 26.091 8.159 18.230 1.00 0.02 C
HETATM 2245 C16 LIW A1000 27.244 8.566 18.968 1.00 0.03 C
HETATM 2246 C17 LIW A1000 28.520 8.536 18.374 1.00 0.03 C
HETATM 2247 N3 LIW A1000 25.085 7.250 15.977 1.00 0.02 N
HETATM 2248 O3 LIW A1000 25.266 6.881 14.819 1.00 0.02 O
HETATM 2249 O4 LIW A1000 23.934 7.226 16.376 1.00 0.02 O
HETATM 2250 N4 LIW A1000 24.764 8.187 18.821 1.00 0.02 N
HETATM 2251 C18 LIW A1000 24.244 8.582 20.135 1.00 0.03 C
HETATM 2252 C19 LIW A1000 24.891 7.663 21.187 1.00 0.03 C
HETATM 2253 C20 LIW A1000 24.608 10.059 20.370 1.00 0.03 C
HETATM 2254 S1 LIW A1000 24.157 11.276 19.062 1.00 0.03 S
HETATM 2255 C21 LIW A1000 24.989 11.311 17.519 1.00 0.03 C
HETATM 2256 C22 LIW A1000 24.435 10.576 16.441 1.00 0.02 C
HETATM 2257 C23 LIW A1000 25.092 10.590 15.183 1.00 0.02 C
HETATM 2258 C24 LIW A1000 26.292 11.333 15.007 1.00 0.02 C
HETATM 2259 C25 LIW A1000 26.837 12.067 16.096 1.00 0.03 C
HETATM 2260 C26 LIW A1000 26.188 12.060 17.359 1.00 0.03 C
HETATM 2261 C27 LIW A1000 22.723 8.372 20.036 1.00 0.03 C
HETATM 2262 C28 LIW A1000 26.185 17.424 8.809 1.00 0.10 C
HETATM 2263 C29 LIW A1000 25.866 17.444 10.168 1.00 0.08 C
HETATM 2264 C30 LIW A1000 26.864 17.631 11.122 1.00 0.06 C
HETATM 2265 C31 LIW A1000 28.189 17.805 10.724 1.00 0.04 C
HETATM 2266 C32 LIW A1000 28.536 17.787 9.367 1.00 0.06 C
HETATM 2267 C33 LIW A1000 27.510 17.591 8.384 1.00 0.09 C
HETATM 2268 C34 LIW A1000 28.818 16.851 6.251 1.00 0.13 C
HETATM 2269 C35 LIW A1000 28.991 16.879 4.862 1.00 0.15 C
HETATM 2270 C36 LIW A1000 28.114 17.614 4.060 1.00 0.17 C
HETATM 2271 C37 LIW A1000 27.066 18.324 4.646 1.00 0.17 C
HETATM 2272 C38 LIW A1000 26.896 18.299 6.034 1.00 0.14 C
HETATM 2273 C39 LIW A1000 27.769 17.574 6.846 1.00 0.12 C
HETATM 0 H273 LIW A1000 22.321 8.997 19.238 1.00 0.03 H new
HETATM 0 H272 LIW A1000 22.514 7.325 19.817 1.00 0.03 H new
HETATM 0 H271 LIW A1000 22.256 8.646 20.982 1.00 0.03 H new
HETATM 0 H202 LIW A1000 24.135 10.376 21.299 1.00 0.03 H new
HETATM 0 H201 LIW A1000 25.685 10.118 20.524 1.00 0.03 H new
HETATM 0 H193 LIW A1000 24.633 6.626 20.972 1.00 0.03 H new
HETATM 0 H192 LIW A1000 25.974 7.781 21.156 1.00 0.03 H new
HETATM 0 H191 LIW A1000 24.525 7.931 22.178 1.00 0.03 H new
HETATM 0 H122 LIW A1000 30.429 18.826 9.574 1.00 0.06 H new
HETATM 0 H121 LIW A1000 30.101 18.269 7.945 1.00 0.06 H new
HETATM 0 H112 LIW A1000 30.147 16.944 12.289 1.00 0.03 H new
HETATM 0 H111 LIW A1000 31.644 16.108 12.652 1.00 0.03 H new
HETATM 0 H102 LIW A1000 32.568 16.523 10.560 1.00 0.04 H new
HETATM 0 H101 LIW A1000 31.655 17.989 10.858 1.00 0.04 H new
HETATM 0 HN4 LIW A1000 24.036 7.862 18.185 1.00 0.02 H new
HETATM 0 HN1 LIW A1000 30.097 9.175 14.230 1.00 0.03 H new
HETATM 0 H92 LIW A1000 30.585 14.751 8.489 1.00 0.06 H new
HETATM 0 H91 LIW A1000 29.127 15.723 8.438 1.00 0.06 H new
HETATM 0 H82 LIW A1000 29.431 13.655 10.090 1.00 0.03 H new
HETATM 0 H81 LIW A1000 28.416 15.032 10.468 1.00 0.03 H new
HETATM 0 H5 LIW A1000 30.522 13.290 16.045 1.00 0.03 H new
HETATM 0 H38 LIW A1000 26.073 18.852 6.486 1.00 0.14 H new
HETATM 0 H37 LIW A1000 26.380 18.898 4.023 1.00 0.17 H new
HETATM 0 H36 LIW A1000 28.249 17.633 2.978 1.00 0.17 H new
HETATM 0 H35 LIW A1000 29.812 16.326 4.405 1.00 0.15 H new
HETATM 0 H34 LIW A1000 29.498 16.268 6.872 1.00 0.13 H new
HETATM 0 H31 LIW A1000 28.963 17.957 11.477 1.00 0.04 H new
HETATM 0 H30 LIW A1000 26.609 17.641 12.182 1.00 0.06 H new
HETATM 0 H3 LIW A1000 30.056 10.386 12.840 1.00 0.03 H new
HETATM 0 H29 LIW A1000 24.831 17.313 10.484 1.00 0.08 H new
HETATM 0 H28 LIW A1000 25.396 17.277 8.071 1.00 0.10 H new
HETATM 0 H26 LIW A1000 26.603 12.622 18.196 1.00 0.03 H new
HETATM 0 H25 LIW A1000 27.756 12.637 15.961 1.00 0.03 H new
HETATM 0 H24 LIW A1000 26.793 11.340 14.039 1.00 0.02 H new
HETATM 0 H23 LIW A1000 24.675 10.028 14.347 1.00 0.02 H new
HETATM 0 H22 LIW A1000 23.515 10.007 16.577 1.00 0.02 H new
HETATM 0 H2 LIW A1000 30.040 12.214 11.173 1.00 0.03 H new
HETATM 0 H17 LIW A1000 29.401 8.848 18.935 1.00 0.03 H new
HETATM 0 H16 LIW A1000 27.135 8.902 19.999 1.00 0.03 H new
HETATM 0 H13 LIW A1000 27.662 7.359 15.274 1.00 0.02 H new
HETATM 0 H LIW A1000 30.507 15.125 14.370 1.00 0.03 H new
CONECT 2222 2223 2227 2274
CONECT 2223 2222 2224 2228
CONECT 2224 2223 2225 2275
CONECT 2225 2224 2226 2276
CONECT 2226 2225 2227 2229
CONECT 2227 2222 2226 2277
CONECT 2228 2223 2233 2237
CONECT 2229 2226 2230 2239
CONECT 2230 2229 2231 2278
CONECT 2231 2230 2232 2240 2241
CONECT 2232 2231 2242 2246
CONECT 2233 2228 2234 2279 2280
CONECT 2234 2233 2235 2281 2282
CONECT 2235 2234 2236 2238
CONECT 2236 2235 2237 2283 2284
CONECT 2237 2228 2236 2285 2286
CONECT 2238 2235 2266 2287 2288
CONECT 2239 2229
CONECT 2240 2231
CONECT 2241 2231
CONECT 2242 2232 2243 2289
CONECT 2243 2242 2244 2247
CONECT 2244 2243 2245 2250
CONECT 2245 2244 2246 2290
CONECT 2246 2232 2245 2291
CONECT 2247 2243 2248 2249
CONECT 2248 2247
CONECT 2249 2247
CONECT 2250 2244 2251 2292
CONECT 2251 2250 2252 2253 2261
CONECT 2252 2251 2293 2294 2295
CONECT 2253 2251 2254 2296 2297
CONECT 2254 2253 2255
CONECT 2255 2254 2256 2260
CONECT 2256 2255 2257 2298
CONECT 2257 2256 2258 2299
CONECT 2258 2257 2259 2300
CONECT 2259 2258 2260 2301
CONECT 2260 2255 2259 2302
CONECT 2261 2251 2303 2304 2305
CONECT 2262 2263 2267 2306
CONECT 2263 2262 2264 2307
CONECT 2264 2263 2265 2308
CONECT 2265 2264 2266 2309
CONECT 2266 2238 2265 2267
CONECT 2267 2262 2266 2273
CONECT 2268 2269 2273 2310
CONECT 2269 2268 2270 2311
CONECT 2270 2269 2271 2312
CONECT 2271 2270 2272 2313
CONECT 2272 2271 2273 2314
CONECT 2273 2267 2268 2272
CONECT 2274 2222
CONECT 2275 2224
CONECT 2276 2225
CONECT 2277 2227
CONECT 2278 2230
CONECT 2279 2233
CONECT 2280 2233
CONECT 2281 2234
CONECT 2282 2234
CONECT 2283 2236
CONECT 2284 2236
CONECT 2285 2237
CONECT 2286 2237
CONECT 2287 2238
CONECT 2288 2238
CONECT 2289 2242
CONECT 2290 2245
CONECT 2291 2246
CONECT 2292 2250
CONECT 2293 2252
CONECT 2294 2252
CONECT 2295 2252
CONECT 2296 2253
CONECT 2297 2253
CONECT 2298 2256
CONECT 2299 2257
CONECT 2300 2258
CONECT 2301 2259
CONECT 2302 2260
CONECT 2303 2261
CONECT 2304 2261
CONECT 2305 2261
CONECT 2306 2262
CONECT 2307 2263
CONECT 2308 2264
CONECT 2309 2265
CONECT 2310 2268
CONECT 2311 2269
CONECT 2312 2270
CONECT 2313 2271
CONECT 2314 2272
END