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HEADER IMMUNE SYSTEM 06-JAN-16 2NAN
TITLE NMR STRUCTURE OF HUMAN DCL-1 (CD302) EXTRACELLULAR DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CD302 ANTIGEN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: EXTRACELLULAR DOMAIN RESIDUES 23-161;
COMPND 5 SYNONYM: C-TYPE LECTIN BIMLEC, C-TYPE LECTIN DOMAIN FAMILY 13 MEMBER
COMPND 6 A, DEC205-ASSOCIATED C-TYPE LECTIN 1, TYPE I TRANSMEMBRANE C-TYPE
COMPND 7 LECTIN RECEPTOR DCL-1;
COMPND 8 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: CD302, CLEC13A, DCL1, KIAA0022;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET-30A(+)
KEYWDS C-TYPE LECTIN LIKE RECEPTOR, IMMUNE SYSTEM
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR E.POSPISILOVA,Z.KUKACKA,D.KAVAN,P.NOVAK,J.CHMELIK
REVDAT 1 11-JAN-17 2NAN 0
JRNL AUTH E.POSPISILOVA,Z.KUKACKA,D.KAVAN,P.NOVAK,J.CHMELIK
JRNL TITL NMR STRUCTURE OF HUMAN DCL-1 (CD302) EXTRACELLULAR DOMAIN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : SPARKY, SPARKY, SPARKY, SPARKY, CNS
REMARK 3 AUTHORS : GODDARD (SPARKY), BRUNGER, ADAMS, CLORE, GROS,
REMARK 3 NILGES AND READ (SPARKY), GODDARD (SPARKY),
REMARK 3 BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ
REMARK 3 (SPARKY), BRUNGER, ADAMS, CLORE, GROS, NILGES AND
REMARK 3 READ (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2NAN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JAN-16.
REMARK 100 THE RCSB ID CODE IS RCSB104630.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303.15
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-100% 13C; U-100% 15N]
REMARK 210 CD302, 25 MM PIPES, 50 MM SODIUM
REMARK 210 CHLORIDE, 1 MM SODIUM AZIDE, 90 %
REMARK 210 H2O, 10 % D2O, 90% H2O/10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D HNCO; 3D
REMARK 210 HN(CA)CO; 3D HNCA; 3D HN(CO)CA;
REMARK 210 3D HNCACB; 3D CBCA(CO)NH; 2D 1H-
REMARK 210 13C HSQC ALIPHATIC; 2D 1H-13C
REMARK 210 HSQC AROMATIC; 3D 1H-15N NOESY;
REMARK 210 3D 1H-13C NOESY ALIPHATIC; 3D 1H-
REMARK 210 13C NOESY AROMATIC; 3D 1H-15N
REMARK 210 TOCSY; 3D H(CC)(CO)NH; 3D (H)
REMARK 210 CC(CO)NH; 2D (HB)CB(CGCD)HD; 3D
REMARK 210 HCCH-TOCSY; 3D HCCH-TOCSY AROMATIC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE III
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : TOPSPIN, NMRPIPE, SPARKY, ARIA,
REMARK 210 TALOS
REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR
REMARK 210 DYNAMICS, TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 500
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY
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 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
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 3 GLU A 71 CG GLU A 71 CD -0.099
REMARK 500 7 GLU A 71 CG GLU A 71 CD -0.101
REMARK 500 8 GLU A 71 CG GLU A 71 CD -0.098
REMARK 500 9 GLU A 71 CG GLU A 71 CD -0.094
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 1 GLN A 33 -67.89 62.83
REMARK 500 1 ASP A 34 20.91 -156.37
REMARK 500 1 GLN A 41 94.61 -67.57
REMARK 500 1 ILE A 64 151.26 -40.33
REMARK 500 1 TRP A 83 -161.75 -108.25
REMARK 500 1 LYS A 84 -77.05 -70.41
REMARK 500 1 LYS A 114 68.36 -119.15
REMARK 500 1 ASP A 121 -150.77 -95.94
REMARK 500 1 CYS A 128 -169.85 -129.09
REMARK 500 1 SER A 147 22.59 -75.67
REMARK 500 2 GLN A 33 -85.96 60.48
REMARK 500 2 GLN A 41 94.84 -68.23
REMARK 500 2 ILE A 64 146.37 -36.96
REMARK 500 2 TRP A 83 -159.91 -109.66
REMARK 500 2 LYS A 84 -72.26 -68.56
REMARK 500 2 ASN A 107 -11.07 83.65
REMARK 500 2 ASP A 120 178.21 70.66
REMARK 500 2 ASP A 121 -38.36 -150.12
REMARK 500 2 GLU A 122 -74.53 -91.41
REMARK 500 2 CYS A 128 -167.03 -129.30
REMARK 500 2 SER A 147 22.43 -76.20
REMARK 500 3 GLN A 33 -81.74 59.99
REMARK 500 3 ASP A 34 24.32 -145.55
REMARK 500 3 GLN A 41 94.80 -69.47
REMARK 500 3 ILE A 64 144.31 -36.85
REMARK 500 3 TRP A 83 -161.67 -105.88
REMARK 500 3 LYS A 84 -72.03 -74.64
REMARK 500 3 ASP A 120 90.54 -175.41
REMARK 500 3 ASP A 121 -68.32 -121.98
REMARK 500 3 GLU A 122 -99.44 -98.94
REMARK 500 3 CYS A 128 -168.25 -124.48
REMARK 500 3 GLU A 144 35.54 -92.36
REMARK 500 3 SER A 147 21.96 -75.73
REMARK 500 4 GLN A 33 -76.98 62.61
REMARK 500 4 ASP A 34 26.26 -154.37
REMARK 500 4 GLN A 41 94.83 -69.49
REMARK 500 4 ILE A 64 150.54 -40.93
REMARK 500 4 TRP A 83 -166.90 -106.17
REMARK 500 4 LYS A 84 -72.53 -66.20
REMARK 500 4 ALA A 100 61.79 67.01
REMARK 500 4 ASP A 120 175.58 86.17
REMARK 500 4 ASP A 121 -83.44 -126.33
REMARK 500 4 SER A 147 22.78 -74.89
REMARK 500 5 GLN A 33 -86.80 60.51
REMARK 500 5 ASP A 34 26.51 -145.99
REMARK 500 5 GLN A 41 94.94 -67.07
REMARK 500 5 ILE A 64 151.16 -40.99
REMARK 500 5 TRP A 83 -158.58 -105.96
REMARK 500 5 LYS A 84 -74.53 -72.56
REMARK 500 5 ALA A 100 67.85 60.45
REMARK 500
REMARK 500 THIS ENTRY HAS 100 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 2 ARG A 53 0.10 SIDE CHAIN
REMARK 500 4 ARG A 53 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 25802 RELATED DB: BMRB
DBREF 2NAN A 23 161 UNP Q8IX05 CD302_HUMAN 23 161
SEQADV 2NAN MET A 22 UNP Q8IX05 INITIATING METHIONINE
SEQRES 1 A 140 MET ASP CYS PRO SER SER THR TRP ILE GLN PHE GLN ASP
SEQRES 2 A 140 SER CYS TYR ILE PHE LEU GLN GLU ALA ILE LYS VAL GLU
SEQRES 3 A 140 SER ILE GLU ASP VAL ARG ASN GLN CYS THR ASP HIS GLY
SEQRES 4 A 140 ALA ASP MET ILE SER ILE HIS ASN GLU GLU GLU ASN ALA
SEQRES 5 A 140 PHE ILE LEU ASP THR LEU LYS LYS GLN TRP LYS GLY PRO
SEQRES 6 A 140 ASP ASP ILE LEU LEU GLY MET PHE TYR ASP THR ASP ASP
SEQRES 7 A 140 ALA SER PHE LYS TRP PHE ASP ASN SER ASN MET THR PHE
SEQRES 8 A 140 ASP LYS TRP THR ASP GLN ASP ASP ASP GLU ASP LEU VAL
SEQRES 9 A 140 ASP THR CYS ALA PHE LEU HIS ILE LYS THR GLY GLU TRP
SEQRES 10 A 140 LYS LYS GLY ASN CYS GLU VAL SER SER VAL GLU GLY THR
SEQRES 11 A 140 LEU CYS LYS THR ALA ILE PRO TYR LYS ARG
HELIX 1 1 SER A 48 ASP A 58 1 11
HELIX 2 2 ASN A 68 TRP A 83 1 16
SHEET 1 A 4 ILE A 30 PHE A 32 0
SHEET 2 A 4 SER A 35 LEU A 40 -1 O TYR A 37 N ILE A 30
SHEET 3 A 4 THR A 151 ALA A 156 -1 O THR A 155 N CYS A 36
SHEET 4 A 4 ASP A 62 MET A 63 -1 N ASP A 62 O LYS A 154
SHEET 1 B 2 ASP A 88 LEU A 90 0
SHEET 2 B 2 PHE A 130 HIS A 132 -1 O LEU A 131 N ILE A 89
SHEET 1 C 2 MET A 93 ASP A 96 0
SHEET 2 C 2 SER A 101 TRP A 104 -1 O LYS A 103 N PHE A 94
SSBOND 1 CYS A 24 CYS A 36 1555 1555 2.03
SSBOND 2 CYS A 56 CYS A 153 1555 1555 2.00
SSBOND 3 CYS A 128 CYS A 143 1555 1555 2.02
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
MODEL 1
ATOM 1 N MET A 22 -1.049 -22.628 5.256 1.00 0.00 N
ATOM 2 CA MET A 22 -1.149 -21.269 4.717 1.00 0.00 C
ATOM 3 C MET A 22 -2.003 -20.397 5.625 1.00 0.00 C
ATOM 4 O MET A 22 -3.201 -20.647 5.805 1.00 0.00 O
ATOM 5 CB MET A 22 -1.695 -21.254 3.255 1.00 0.00 C
ATOM 6 CG MET A 22 -3.070 -21.903 3.029 1.00 0.00 C
ATOM 7 SD MET A 22 -3.078 -23.693 3.295 1.00 0.00 S
ATOM 8 CE MET A 22 -4.794 -24.079 2.935 1.00 0.00 C
ATOM 9 H1 MET A 22 -0.466 -23.238 4.651 1.00 0.00 H
ATOM 10 H2 MET A 22 -2.001 -23.037 5.369 1.00 0.00 H
ATOM 11 H3 MET A 22 -0.628 -22.590 6.208 1.00 0.00 H
ATOM 12 HA MET A 22 -0.149 -20.859 4.722 1.00 0.00 H
ATOM 13 HB2 MET A 22 -1.775 -20.226 2.938 1.00 0.00 H
ATOM 14 HB3 MET A 22 -0.980 -21.749 2.614 1.00 0.00 H
ATOM 15 HG2 MET A 22 -3.770 -21.457 3.718 1.00 0.00 H
ATOM 16 HG3 MET A 22 -3.395 -21.702 2.020 1.00 0.00 H
ATOM 17 HE1 MET A 22 -4.951 -25.142 3.047 1.00 0.00 H
ATOM 18 HE2 MET A 22 -5.025 -23.786 1.922 1.00 0.00 H
ATOM 19 HE3 MET A 22 -5.438 -23.547 3.619 1.00 0.00 H
ATOM 20 N ASP A 23 -1.389 -19.402 6.229 1.00 0.00 N
ATOM 21 CA ASP A 23 -2.114 -18.478 7.097 1.00 0.00 C
ATOM 22 C ASP A 23 -2.832 -17.486 6.249 1.00 0.00 C
ATOM 23 O ASP A 23 -3.974 -17.109 6.508 1.00 0.00 O
ATOM 24 CB ASP A 23 -1.181 -17.741 8.057 1.00 0.00 C
ATOM 25 CG ASP A 23 -0.508 -18.627 9.075 1.00 0.00 C
ATOM 26 OD1 ASP A 23 -1.066 -18.832 10.173 1.00 0.00 O
ATOM 27 OD2 ASP A 23 0.611 -19.104 8.818 1.00 0.00 O
ATOM 28 H ASP A 23 -0.422 -19.278 6.099 1.00 0.00 H
ATOM 29 HA ASP A 23 -2.847 -19.032 7.657 1.00 0.00 H
ATOM 30 HB2 ASP A 23 -0.408 -17.250 7.484 1.00 0.00 H
ATOM 31 HB3 ASP A 23 -1.756 -16.992 8.580 1.00 0.00 H
ATOM 32 N CYS A 24 -2.165 -17.099 5.224 1.00 0.00 N
ATOM 33 CA CYS A 24 -2.678 -16.194 4.255 1.00 0.00 C
ATOM 34 C CYS A 24 -3.583 -16.961 3.274 1.00 0.00 C
ATOM 35 O CYS A 24 -3.464 -18.193 3.153 1.00 0.00 O
ATOM 36 CB CYS A 24 -1.523 -15.560 3.502 1.00 0.00 C
ATOM 37 SG CYS A 24 -0.316 -14.629 4.517 1.00 0.00 S
ATOM 38 H CYS A 24 -1.258 -17.447 5.116 1.00 0.00 H
ATOM 39 HA CYS A 24 -3.238 -15.422 4.762 1.00 0.00 H
ATOM 40 HB2 CYS A 24 -0.982 -16.320 2.959 1.00 0.00 H
ATOM 41 HB3 CYS A 24 -1.968 -14.870 2.806 1.00 0.00 H
ATOM 42 N PRO A 25 -4.533 -16.268 2.599 1.00 0.00 N
ATOM 43 CA PRO A 25 -5.441 -16.900 1.612 1.00 0.00 C
ATOM 44 C PRO A 25 -4.699 -17.602 0.464 1.00 0.00 C
ATOM 45 O PRO A 25 -4.922 -18.783 0.186 1.00 0.00 O
ATOM 46 CB PRO A 25 -6.204 -15.697 1.051 1.00 0.00 C
ATOM 47 CG PRO A 25 -6.210 -14.716 2.156 1.00 0.00 C
ATOM 48 CD PRO A 25 -4.856 -14.829 2.777 1.00 0.00 C
ATOM 49 HA PRO A 25 -6.138 -17.580 2.076 1.00 0.00 H
ATOM 50 HB2 PRO A 25 -5.666 -15.317 0.194 1.00 0.00 H
ATOM 51 HB3 PRO A 25 -7.212 -15.955 0.773 1.00 0.00 H
ATOM 52 HG2 PRO A 25 -6.377 -13.722 1.767 1.00 0.00 H
ATOM 53 HG3 PRO A 25 -6.963 -14.975 2.885 1.00 0.00 H
ATOM 54 HD2 PRO A 25 -4.156 -14.199 2.248 1.00 0.00 H
ATOM 55 HD3 PRO A 25 -4.905 -14.553 3.817 1.00 0.00 H
ATOM 56 N SER A 26 -3.802 -16.890 -0.166 1.00 0.00 N
ATOM 57 CA SER A 26 -3.089 -17.403 -1.305 1.00 0.00 C
ATOM 58 C SER A 26 -1.604 -17.080 -1.178 1.00 0.00 C
ATOM 59 O SER A 26 -1.209 -16.341 -0.273 1.00 0.00 O
ATOM 60 CB SER A 26 -3.679 -16.808 -2.580 1.00 0.00 C
ATOM 61 OG SER A 26 -5.082 -17.062 -2.653 1.00 0.00 O
ATOM 62 H SER A 26 -3.586 -15.991 0.156 1.00 0.00 H
ATOM 63 HA SER A 26 -3.218 -18.474 -1.326 1.00 0.00 H
ATOM 64 HB2 SER A 26 -3.513 -15.742 -2.595 1.00 0.00 H
ATOM 65 HB3 SER A 26 -3.203 -17.262 -3.436 1.00 0.00 H
ATOM 66 HG SER A 26 -5.535 -16.250 -2.393 1.00 0.00 H
ATOM 67 N SER A 27 -0.804 -17.577 -2.100 1.00 0.00 N
ATOM 68 CA SER A 27 0.639 -17.427 -2.039 1.00 0.00 C
ATOM 69 C SER A 27 1.103 -16.026 -2.459 1.00 0.00 C
ATOM 70 O SER A 27 2.266 -15.669 -2.288 1.00 0.00 O
ATOM 71 CB SER A 27 1.281 -18.489 -2.897 1.00 0.00 C
ATOM 72 OG SER A 27 0.791 -19.785 -2.528 1.00 0.00 O
ATOM 73 H SER A 27 -1.169 -18.058 -2.875 1.00 0.00 H
ATOM 74 HA SER A 27 0.942 -17.596 -1.019 1.00 0.00 H
ATOM 75 HB2 SER A 27 1.029 -18.286 -3.925 1.00 0.00 H
ATOM 76 HB3 SER A 27 2.352 -18.463 -2.766 1.00 0.00 H
ATOM 77 HG SER A 27 0.184 -20.070 -3.227 1.00 0.00 H
ATOM 78 N THR A 28 0.192 -15.239 -3.000 1.00 0.00 N
ATOM 79 CA THR A 28 0.486 -13.868 -3.368 1.00 0.00 C
ATOM 80 C THR A 28 0.415 -12.978 -2.104 1.00 0.00 C
ATOM 81 O THR A 28 0.796 -11.802 -2.113 1.00 0.00 O
ATOM 82 CB THR A 28 -0.524 -13.387 -4.444 1.00 0.00 C
ATOM 83 OG1 THR A 28 -0.587 -14.378 -5.499 1.00 0.00 O
ATOM 84 CG2 THR A 28 -0.086 -12.066 -5.057 1.00 0.00 C
ATOM 85 H THR A 28 -0.699 -15.599 -3.194 1.00 0.00 H
ATOM 86 HA THR A 28 1.487 -13.826 -3.768 1.00 0.00 H
ATOM 87 HB THR A 28 -1.495 -13.274 -3.985 1.00 0.00 H
ATOM 88 HG1 THR A 28 0.333 -14.564 -5.737 1.00 0.00 H
ATOM 89 HG21 THR A 28 0.888 -12.176 -5.506 1.00 0.00 H
ATOM 90 HG22 THR A 28 -0.037 -11.308 -4.290 1.00 0.00 H
ATOM 91 HG23 THR A 28 -0.791 -11.756 -5.811 1.00 0.00 H
ATOM 92 N TRP A 29 -0.045 -13.579 -1.019 1.00 0.00 N
ATOM 93 CA TRP A 29 -0.163 -12.911 0.240 1.00 0.00 C
ATOM 94 C TRP A 29 1.069 -13.165 1.066 1.00 0.00 C
ATOM 95 O TRP A 29 1.435 -14.313 1.351 1.00 0.00 O
ATOM 96 CB TRP A 29 -1.379 -13.383 0.996 1.00 0.00 C
ATOM 97 CG TRP A 29 -2.674 -13.057 0.363 1.00 0.00 C
ATOM 98 CD1 TRP A 29 -3.228 -13.652 -0.697 1.00 0.00 C
ATOM 99 CD2 TRP A 29 -3.584 -12.083 0.790 1.00 0.00 C
ATOM 100 NE1 TRP A 29 -4.429 -13.094 -0.981 1.00 0.00 N
ATOM 101 CE2 TRP A 29 -4.668 -12.118 -0.071 1.00 0.00 C
ATOM 102 CE3 TRP A 29 -3.573 -11.185 1.810 1.00 0.00 C
ATOM 103 CZ2 TRP A 29 -5.737 -11.279 0.070 1.00 0.00 C
ATOM 104 CZ3 TRP A 29 -4.652 -10.335 1.963 1.00 0.00 C
ATOM 105 CH2 TRP A 29 -5.719 -10.393 1.087 1.00 0.00 C
ATOM 106 H TRP A 29 -0.279 -14.531 -1.056 1.00 0.00 H
ATOM 107 HA TRP A 29 -0.256 -11.852 0.052 1.00 0.00 H
ATOM 108 HB2 TRP A 29 -1.325 -14.457 1.061 1.00 0.00 H
ATOM 109 HB3 TRP A 29 -1.363 -12.960 1.989 1.00 0.00 H
ATOM 110 HD1 TRP A 29 -2.739 -14.454 -1.214 1.00 0.00 H
ATOM 111 HE1 TRP A 29 -5.028 -13.355 -1.719 1.00 0.00 H
ATOM 112 HE3 TRP A 29 -2.704 -11.205 2.445 1.00 0.00 H
ATOM 113 HZ2 TRP A 29 -6.565 -11.307 -0.609 1.00 0.00 H
ATOM 114 HZ3 TRP A 29 -4.700 -9.603 2.753 1.00 0.00 H
ATOM 115 HH2 TRP A 29 -6.550 -9.717 1.226 1.00 0.00 H
ATOM 116 N ILE A 30 1.680 -12.113 1.442 1.00 0.00 N
ATOM 117 CA ILE A 30 2.899 -12.125 2.173 1.00 0.00 C
ATOM 118 C ILE A 30 2.621 -11.959 3.662 1.00 0.00 C
ATOM 119 O ILE A 30 1.981 -11.004 4.074 1.00 0.00 O
ATOM 120 CB ILE A 30 3.806 -11.015 1.604 1.00 0.00 C
ATOM 121 CG1 ILE A 30 4.079 -11.364 0.139 1.00 0.00 C
ATOM 122 CG2 ILE A 30 5.112 -10.857 2.387 1.00 0.00 C
ATOM 123 CD1 ILE A 30 4.976 -10.428 -0.544 1.00 0.00 C
ATOM 124 H ILE A 30 1.277 -11.245 1.208 1.00 0.00 H
ATOM 125 HA ILE A 30 3.377 -13.077 2.000 1.00 0.00 H
ATOM 126 HB ILE A 30 3.271 -10.071 1.618 1.00 0.00 H
ATOM 127 HG12 ILE A 30 4.528 -12.340 0.060 1.00 0.00 H
ATOM 128 HG13 ILE A 30 3.156 -11.391 -0.420 1.00 0.00 H
ATOM 129 HG21 ILE A 30 5.661 -10.017 1.976 1.00 0.00 H
ATOM 130 HG22 ILE A 30 5.717 -11.747 2.298 1.00 0.00 H
ATOM 131 HG23 ILE A 30 4.883 -10.653 3.422 1.00 0.00 H
ATOM 132 HD11 ILE A 30 5.956 -10.465 -0.094 1.00 0.00 H
ATOM 133 HD12 ILE A 30 4.562 -9.433 -0.453 1.00 0.00 H
ATOM 134 HD13 ILE A 30 5.031 -10.702 -1.585 1.00 0.00 H
ATOM 135 N GLN A 31 3.061 -12.919 4.441 1.00 0.00 N
ATOM 136 CA GLN A 31 2.826 -12.931 5.873 1.00 0.00 C
ATOM 137 C GLN A 31 3.925 -12.174 6.583 1.00 0.00 C
ATOM 138 O GLN A 31 5.122 -12.420 6.354 1.00 0.00 O
ATOM 139 CB GLN A 31 2.778 -14.369 6.377 1.00 0.00 C
ATOM 140 CG GLN A 31 2.460 -14.539 7.861 1.00 0.00 C
ATOM 141 CD GLN A 31 2.582 -15.986 8.281 1.00 0.00 C
ATOM 142 OE1 GLN A 31 3.360 -16.750 7.708 1.00 0.00 O
ATOM 143 NE2 GLN A 31 1.872 -16.364 9.289 1.00 0.00 N
ATOM 144 H GLN A 31 3.577 -13.649 4.040 1.00 0.00 H
ATOM 145 HA GLN A 31 1.882 -12.450 6.082 1.00 0.00 H
ATOM 146 HB2 GLN A 31 2.022 -14.902 5.818 1.00 0.00 H
ATOM 147 HB3 GLN A 31 3.736 -14.830 6.184 1.00 0.00 H
ATOM 148 HG2 GLN A 31 3.077 -13.912 8.490 1.00 0.00 H
ATOM 149 HG3 GLN A 31 1.430 -14.245 8.005 1.00 0.00 H
ATOM 150 HE21 GLN A 31 1.309 -15.702 9.742 1.00 0.00 H
ATOM 151 HE22 GLN A 31 1.902 -17.312 9.536 1.00 0.00 H
ATOM 152 N PHE A 32 3.539 -11.263 7.415 1.00 0.00 N
ATOM 153 CA PHE A 32 4.459 -10.485 8.148 1.00 0.00 C
ATOM 154 C PHE A 32 3.940 -10.256 9.543 1.00 0.00 C
ATOM 155 O PHE A 32 2.862 -9.673 9.724 1.00 0.00 O
ATOM 156 CB PHE A 32 4.690 -9.194 7.415 1.00 0.00 C
ATOM 157 CG PHE A 32 5.634 -8.248 8.055 1.00 0.00 C
ATOM 158 CD1 PHE A 32 6.993 -8.479 8.019 1.00 0.00 C
ATOM 159 CD2 PHE A 32 5.168 -7.108 8.653 1.00 0.00 C
ATOM 160 CE1 PHE A 32 7.867 -7.589 8.573 1.00 0.00 C
ATOM 161 CE2 PHE A 32 6.038 -6.205 9.201 1.00 0.00 C
ATOM 162 CZ PHE A 32 7.395 -6.449 9.159 1.00 0.00 C
ATOM 163 H PHE A 32 2.578 -11.087 7.539 1.00 0.00 H
ATOM 164 HA PHE A 32 5.389 -11.025 8.199 1.00 0.00 H
ATOM 165 HB2 PHE A 32 5.091 -9.429 6.440 1.00 0.00 H
ATOM 166 HB3 PHE A 32 3.742 -8.696 7.277 1.00 0.00 H
ATOM 167 HD1 PHE A 32 7.366 -9.377 7.553 1.00 0.00 H
ATOM 168 HD2 PHE A 32 4.101 -6.943 8.671 1.00 0.00 H
ATOM 169 HE1 PHE A 32 8.929 -7.776 8.543 1.00 0.00 H
ATOM 170 HE2 PHE A 32 5.659 -5.310 9.672 1.00 0.00 H
ATOM 171 HZ PHE A 32 8.106 -5.742 9.564 1.00 0.00 H
ATOM 172 N GLN A 33 4.702 -10.757 10.509 1.00 0.00 N
ATOM 173 CA GLN A 33 4.439 -10.693 11.952 1.00 0.00 C
ATOM 174 C GLN A 33 3.157 -11.430 12.349 1.00 0.00 C
ATOM 175 O GLN A 33 3.213 -12.472 13.008 1.00 0.00 O
ATOM 176 CB GLN A 33 4.447 -9.256 12.481 1.00 0.00 C
ATOM 177 CG GLN A 33 5.714 -8.480 12.146 1.00 0.00 C
ATOM 178 CD GLN A 33 5.791 -7.150 12.857 1.00 0.00 C
ATOM 179 OE1 GLN A 33 4.768 -6.547 13.206 1.00 0.00 O
ATOM 180 NE2 GLN A 33 6.975 -6.633 13.007 1.00 0.00 N
ATOM 181 H GLN A 33 5.525 -11.215 10.234 1.00 0.00 H
ATOM 182 HA GLN A 33 5.254 -11.230 12.413 1.00 0.00 H
ATOM 183 HB2 GLN A 33 3.611 -8.735 12.039 1.00 0.00 H
ATOM 184 HB3 GLN A 33 4.325 -9.268 13.553 1.00 0.00 H
ATOM 185 HG2 GLN A 33 6.570 -9.074 12.431 1.00 0.00 H
ATOM 186 HG3 GLN A 33 5.740 -8.305 11.081 1.00 0.00 H
ATOM 187 HE21 GLN A 33 7.775 -7.094 12.655 1.00 0.00 H
ATOM 188 HE22 GLN A 33 7.050 -5.782 13.479 1.00 0.00 H
ATOM 189 N ASP A 34 2.029 -10.910 11.936 1.00 0.00 N
ATOM 190 CA ASP A 34 0.727 -11.494 12.243 1.00 0.00 C
ATOM 191 C ASP A 34 -0.296 -11.062 11.209 1.00 0.00 C
ATOM 192 O ASP A 34 -1.508 -11.131 11.435 1.00 0.00 O
ATOM 193 CB ASP A 34 0.243 -11.078 13.648 1.00 0.00 C
ATOM 194 CG ASP A 34 0.062 -9.568 13.811 1.00 0.00 C
ATOM 195 OD1 ASP A 34 -1.032 -9.041 13.547 1.00 0.00 O
ATOM 196 OD2 ASP A 34 1.021 -8.878 14.223 1.00 0.00 O
ATOM 197 H ASP A 34 2.083 -10.091 11.394 1.00 0.00 H
ATOM 198 HA ASP A 34 0.842 -12.567 12.203 1.00 0.00 H
ATOM 199 HB2 ASP A 34 -0.705 -11.553 13.849 1.00 0.00 H
ATOM 200 HB3 ASP A 34 0.967 -11.416 14.375 1.00 0.00 H
ATOM 201 N SER A 35 0.163 -10.651 10.066 1.00 0.00 N
ATOM 202 CA SER A 35 -0.741 -10.204 9.053 1.00 0.00 C
ATOM 203 C SER A 35 -0.315 -10.677 7.694 1.00 0.00 C
ATOM 204 O SER A 35 0.792 -11.181 7.517 1.00 0.00 O
ATOM 205 CB SER A 35 -0.833 -8.700 9.040 1.00 0.00 C
ATOM 206 OG SER A 35 -1.167 -8.177 10.320 1.00 0.00 O
ATOM 207 H SER A 35 1.123 -10.669 9.865 1.00 0.00 H
ATOM 208 HA SER A 35 -1.716 -10.604 9.280 1.00 0.00 H
ATOM 209 HB2 SER A 35 0.095 -8.325 8.653 1.00 0.00 H
ATOM 210 HB3 SER A 35 -1.590 -8.423 8.320 1.00 0.00 H
ATOM 211 HG SER A 35 -1.279 -8.903 10.947 1.00 0.00 H
ATOM 212 N CYS A 36 -1.190 -10.493 6.757 1.00 0.00 N
ATOM 213 CA CYS A 36 -0.982 -10.849 5.400 1.00 0.00 C
ATOM 214 C CYS A 36 -1.187 -9.661 4.518 1.00 0.00 C
ATOM 215 O CYS A 36 -2.096 -8.844 4.717 1.00 0.00 O
ATOM 216 CB CYS A 36 -1.850 -12.014 5.017 1.00 0.00 C
ATOM 217 SG CYS A 36 -1.433 -13.585 5.848 1.00 0.00 S
ATOM 218 H CYS A 36 -2.054 -10.080 6.990 1.00 0.00 H
ATOM 219 HA CYS A 36 0.055 -11.076 5.203 1.00 0.00 H
ATOM 220 HB2 CYS A 36 -2.867 -11.765 5.287 1.00 0.00 H
ATOM 221 HB3 CYS A 36 -1.799 -12.136 3.956 1.00 0.00 H
ATOM 222 N TYR A 37 -0.283 -9.553 3.617 1.00 0.00 N
ATOM 223 CA TYR A 37 -0.117 -8.448 2.747 1.00 0.00 C
ATOM 224 C TYR A 37 -0.234 -8.848 1.294 1.00 0.00 C
ATOM 225 O TYR A 37 0.242 -9.896 0.908 1.00 0.00 O
ATOM 226 CB TYR A 37 1.275 -7.941 3.021 1.00 0.00 C
ATOM 227 CG TYR A 37 1.439 -7.295 4.340 1.00 0.00 C
ATOM 228 CD1 TYR A 37 1.601 -8.050 5.432 1.00 0.00 C
ATOM 229 CD2 TYR A 37 1.442 -5.952 4.466 1.00 0.00 C
ATOM 230 CE1 TYR A 37 1.762 -7.519 6.676 1.00 0.00 C
ATOM 231 CE2 TYR A 37 1.602 -5.358 5.701 1.00 0.00 C
ATOM 232 CZ TYR A 37 1.761 -6.148 6.814 1.00 0.00 C
ATOM 233 OH TYR A 37 1.947 -5.564 8.047 1.00 0.00 O
ATOM 234 H TYR A 37 0.396 -10.262 3.552 1.00 0.00 H
ATOM 235 HA TYR A 37 -0.801 -7.652 2.992 1.00 0.00 H
ATOM 236 HB2 TYR A 37 1.924 -8.802 3.021 1.00 0.00 H
ATOM 237 HB3 TYR A 37 1.663 -7.303 2.270 1.00 0.00 H
ATOM 238 HD1 TYR A 37 1.574 -9.098 5.199 1.00 0.00 H
ATOM 239 HD2 TYR A 37 1.317 -5.394 3.548 1.00 0.00 H
ATOM 240 HE1 TYR A 37 1.886 -8.207 7.500 1.00 0.00 H
ATOM 241 HE2 TYR A 37 1.595 -4.281 5.791 1.00 0.00 H
ATOM 242 HH TYR A 37 1.707 -4.635 7.916 1.00 0.00 H
ATOM 243 N ILE A 38 -0.876 -8.022 0.505 1.00 0.00 N
ATOM 244 CA ILE A 38 -0.996 -8.260 -0.925 1.00 0.00 C
ATOM 245 C ILE A 38 -1.088 -6.935 -1.682 1.00 0.00 C
ATOM 246 O ILE A 38 -1.745 -6.006 -1.217 1.00 0.00 O
ATOM 247 CB ILE A 38 -2.198 -9.185 -1.268 1.00 0.00 C
ATOM 248 CG1 ILE A 38 -2.241 -9.499 -2.775 1.00 0.00 C
ATOM 249 CG2 ILE A 38 -3.502 -8.574 -0.793 1.00 0.00 C
ATOM 250 CD1 ILE A 38 -3.376 -10.408 -3.188 1.00 0.00 C
ATOM 251 H ILE A 38 -1.280 -7.214 0.892 1.00 0.00 H
ATOM 252 HA ILE A 38 -0.089 -8.735 -1.259 1.00 0.00 H
ATOM 253 HB ILE A 38 -2.060 -10.110 -0.726 1.00 0.00 H
ATOM 254 HG12 ILE A 38 -2.334 -8.576 -3.328 1.00 0.00 H
ATOM 255 HG13 ILE A 38 -1.313 -9.976 -3.055 1.00 0.00 H
ATOM 256 HG21 ILE A 38 -3.631 -7.604 -1.247 1.00 0.00 H
ATOM 257 HG22 ILE A 38 -3.481 -8.478 0.282 1.00 0.00 H
ATOM 258 HG23 ILE A 38 -4.322 -9.216 -1.079 1.00 0.00 H
ATOM 259 HD11 ILE A 38 -3.323 -10.583 -4.251 1.00 0.00 H
ATOM 260 HD12 ILE A 38 -4.321 -9.944 -2.940 1.00 0.00 H
ATOM 261 HD13 ILE A 38 -3.280 -11.347 -2.661 1.00 0.00 H
ATOM 262 N PHE A 39 -0.380 -6.809 -2.791 1.00 0.00 N
ATOM 263 CA PHE A 39 -0.506 -5.623 -3.607 1.00 0.00 C
ATOM 264 C PHE A 39 -1.264 -5.984 -4.785 1.00 0.00 C
ATOM 265 O PHE A 39 -0.893 -6.918 -5.517 1.00 0.00 O
ATOM 266 CB PHE A 39 0.797 -5.111 -4.131 1.00 0.00 C
ATOM 267 CG PHE A 39 0.840 -3.632 -4.327 1.00 0.00 C
ATOM 268 CD1 PHE A 39 0.725 -2.787 -3.259 1.00 0.00 C
ATOM 269 CD2 PHE A 39 1.006 -3.091 -5.567 1.00 0.00 C
ATOM 270 CE1 PHE A 39 0.763 -1.424 -3.423 1.00 0.00 C
ATOM 271 CE2 PHE A 39 1.050 -1.722 -5.738 1.00 0.00 C
ATOM 272 CZ PHE A 39 0.925 -0.892 -4.670 1.00 0.00 C
ATOM 273 H PHE A 39 0.232 -7.523 -3.075 1.00 0.00 H
ATOM 274 HA PHE A 39 -1.005 -4.843 -3.052 1.00 0.00 H
ATOM 275 HB2 PHE A 39 1.634 -5.495 -3.597 1.00 0.00 H
ATOM 276 HB3 PHE A 39 0.883 -5.542 -5.119 1.00 0.00 H
ATOM 277 HD1 PHE A 39 0.595 -3.208 -2.274 1.00 0.00 H
ATOM 278 HD2 PHE A 39 1.109 -3.751 -6.414 1.00 0.00 H
ATOM 279 HE1 PHE A 39 0.667 -0.775 -2.565 1.00 0.00 H
ATOM 280 HE2 PHE A 39 1.180 -1.305 -6.725 1.00 0.00 H
ATOM 281 HZ PHE A 39 0.951 0.176 -4.818 1.00 0.00 H
ATOM 282 N LEU A 40 -2.296 -5.328 -4.983 1.00 0.00 N
ATOM 283 CA LEU A 40 -3.015 -5.515 -6.109 1.00 0.00 C
ATOM 284 C LEU A 40 -3.147 -4.235 -6.823 1.00 0.00 C
ATOM 285 O LEU A 40 -3.863 -3.336 -6.393 1.00 0.00 O
ATOM 286 CB LEU A 40 -4.349 -6.300 -5.923 1.00 0.00 C
ATOM 287 CG LEU A 40 -5.205 -6.124 -4.632 1.00 0.00 C
ATOM 288 CD1 LEU A 40 -4.465 -6.601 -3.412 1.00 0.00 C
ATOM 289 CD2 LEU A 40 -5.732 -4.698 -4.437 1.00 0.00 C
ATOM 290 H LEU A 40 -2.628 -4.643 -4.367 1.00 0.00 H
ATOM 291 HA LEU A 40 -2.327 -6.142 -6.658 1.00 0.00 H
ATOM 292 HB2 LEU A 40 -4.965 -5.948 -6.730 1.00 0.00 H
ATOM 293 HB3 LEU A 40 -4.153 -7.352 -6.073 1.00 0.00 H
ATOM 294 HG LEU A 40 -6.052 -6.785 -4.728 1.00 0.00 H
ATOM 295 HD11 LEU A 40 -3.541 -6.045 -3.333 1.00 0.00 H
ATOM 296 HD12 LEU A 40 -4.206 -7.647 -3.503 1.00 0.00 H
ATOM 297 HD13 LEU A 40 -5.051 -6.431 -2.522 1.00 0.00 H
ATOM 298 HD21 LEU A 40 -6.314 -4.639 -3.529 1.00 0.00 H
ATOM 299 HD22 LEU A 40 -6.363 -4.419 -5.268 1.00 0.00 H
ATOM 300 HD23 LEU A 40 -4.904 -4.007 -4.375 1.00 0.00 H
ATOM 301 N GLN A 41 -2.325 -4.062 -7.794 1.00 0.00 N
ATOM 302 CA GLN A 41 -2.496 -2.929 -8.631 1.00 0.00 C
ATOM 303 C GLN A 41 -3.787 -3.050 -9.451 1.00 0.00 C
ATOM 304 O GLN A 41 -3.829 -3.668 -10.522 1.00 0.00 O
ATOM 305 CB GLN A 41 -1.271 -2.691 -9.502 1.00 0.00 C
ATOM 306 CG GLN A 41 -0.092 -2.291 -8.657 1.00 0.00 C
ATOM 307 CD GLN A 41 1.133 -1.871 -9.413 1.00 0.00 C
ATOM 308 OE1 GLN A 41 1.046 -1.365 -10.533 1.00 0.00 O
ATOM 309 NE2 GLN A 41 2.303 -2.023 -8.802 1.00 0.00 N
ATOM 310 H GLN A 41 -1.571 -4.689 -7.872 1.00 0.00 H
ATOM 311 HA GLN A 41 -2.586 -2.095 -7.949 1.00 0.00 H
ATOM 312 HB2 GLN A 41 -1.035 -3.590 -10.051 1.00 0.00 H
ATOM 313 HB3 GLN A 41 -1.483 -1.892 -10.193 1.00 0.00 H
ATOM 314 HG2 GLN A 41 -0.397 -1.460 -8.040 1.00 0.00 H
ATOM 315 HG3 GLN A 41 0.152 -3.129 -8.018 1.00 0.00 H
ATOM 316 HE21 GLN A 41 2.387 -2.402 -7.896 1.00 0.00 H
ATOM 317 HE22 GLN A 41 3.059 -1.694 -9.331 1.00 0.00 H
ATOM 318 N GLU A 42 -4.825 -2.455 -8.908 1.00 0.00 N
ATOM 319 CA GLU A 42 -6.143 -2.413 -9.491 1.00 0.00 C
ATOM 320 C GLU A 42 -6.493 -0.989 -9.877 1.00 0.00 C
ATOM 321 O GLU A 42 -6.505 -0.095 -9.029 1.00 0.00 O
ATOM 322 CB GLU A 42 -7.169 -2.895 -8.466 1.00 0.00 C
ATOM 323 CG GLU A 42 -6.969 -4.318 -7.975 1.00 0.00 C
ATOM 324 CD GLU A 42 -7.110 -5.332 -9.065 1.00 0.00 C
ATOM 325 OE1 GLU A 42 -8.263 -5.638 -9.451 1.00 0.00 O
ATOM 326 OE2 GLU A 42 -6.086 -5.846 -9.572 1.00 0.00 O
ATOM 327 H GLU A 42 -4.694 -2.061 -8.019 1.00 0.00 H
ATOM 328 HA GLU A 42 -6.179 -3.065 -10.351 1.00 0.00 H
ATOM 329 HB2 GLU A 42 -7.096 -2.235 -7.615 1.00 0.00 H
ATOM 330 HB3 GLU A 42 -8.164 -2.795 -8.876 1.00 0.00 H
ATOM 331 HG2 GLU A 42 -5.972 -4.395 -7.569 1.00 0.00 H
ATOM 332 HG3 GLU A 42 -7.691 -4.533 -7.200 1.00 0.00 H
ATOM 333 N ALA A 43 -6.765 -0.770 -11.129 1.00 0.00 N
ATOM 334 CA ALA A 43 -7.189 0.532 -11.578 1.00 0.00 C
ATOM 335 C ALA A 43 -8.693 0.625 -11.431 1.00 0.00 C
ATOM 336 O ALA A 43 -9.428 -0.144 -12.055 1.00 0.00 O
ATOM 337 CB ALA A 43 -6.792 0.749 -13.025 1.00 0.00 C
ATOM 338 H ALA A 43 -6.694 -1.515 -11.763 1.00 0.00 H
ATOM 339 HA ALA A 43 -6.716 1.285 -10.963 1.00 0.00 H
ATOM 340 HB1 ALA A 43 -5.718 0.690 -13.120 1.00 0.00 H
ATOM 341 HB2 ALA A 43 -7.126 1.724 -13.347 1.00 0.00 H
ATOM 342 HB3 ALA A 43 -7.250 -0.007 -13.644 1.00 0.00 H
ATOM 343 N ILE A 44 -9.143 1.530 -10.595 1.00 0.00 N
ATOM 344 CA ILE A 44 -10.575 1.736 -10.336 1.00 0.00 C
ATOM 345 C ILE A 44 -10.835 3.201 -10.067 1.00 0.00 C
ATOM 346 O ILE A 44 -9.911 3.945 -9.703 1.00 0.00 O
ATOM 347 CB ILE A 44 -11.155 0.943 -9.119 1.00 0.00 C
ATOM 348 CG1 ILE A 44 -10.563 1.431 -7.808 1.00 0.00 C
ATOM 349 CG2 ILE A 44 -10.970 -0.566 -9.261 1.00 0.00 C
ATOM 350 CD1 ILE A 44 -11.329 0.955 -6.611 1.00 0.00 C
ATOM 351 H ILE A 44 -8.482 2.100 -10.145 1.00 0.00 H
ATOM 352 HA ILE A 44 -11.109 1.453 -11.232 1.00 0.00 H
ATOM 353 HB ILE A 44 -12.216 1.146 -9.101 1.00 0.00 H
ATOM 354 HG12 ILE A 44 -9.547 1.071 -7.721 1.00 0.00 H
ATOM 355 HG13 ILE A 44 -10.564 2.510 -7.799 1.00 0.00 H
ATOM 356 HG21 ILE A 44 -9.919 -0.792 -9.345 1.00 0.00 H
ATOM 357 HG22 ILE A 44 -11.487 -0.927 -10.136 1.00 0.00 H
ATOM 358 HG23 ILE A 44 -11.364 -1.059 -8.385 1.00 0.00 H
ATOM 359 HD11 ILE A 44 -12.341 1.326 -6.690 1.00 0.00 H
ATOM 360 HD12 ILE A 44 -10.872 1.334 -5.710 1.00 0.00 H
ATOM 361 HD13 ILE A 44 -11.343 -0.125 -6.595 1.00 0.00 H
ATOM 362 N LYS A 45 -12.048 3.631 -10.292 1.00 0.00 N
ATOM 363 CA LYS A 45 -12.444 4.972 -9.988 1.00 0.00 C
ATOM 364 C LYS A 45 -12.435 5.155 -8.473 1.00 0.00 C
ATOM 365 O LYS A 45 -13.258 4.583 -7.763 1.00 0.00 O
ATOM 366 CB LYS A 45 -13.847 5.262 -10.502 1.00 0.00 C
ATOM 367 CG LYS A 45 -14.264 6.714 -10.337 1.00 0.00 C
ATOM 368 CD LYS A 45 -13.633 7.593 -11.404 1.00 0.00 C
ATOM 369 CE LYS A 45 -13.851 9.079 -11.130 1.00 0.00 C
ATOM 370 NZ LYS A 45 -15.255 9.403 -10.791 1.00 0.00 N
ATOM 371 H LYS A 45 -12.714 3.014 -10.657 1.00 0.00 H
ATOM 372 HA LYS A 45 -11.739 5.634 -10.464 1.00 0.00 H
ATOM 373 HB2 LYS A 45 -13.868 5.022 -11.553 1.00 0.00 H
ATOM 374 HB3 LYS A 45 -14.548 4.636 -9.971 1.00 0.00 H
ATOM 375 HG2 LYS A 45 -15.339 6.785 -10.404 1.00 0.00 H
ATOM 376 HG3 LYS A 45 -13.939 7.051 -9.363 1.00 0.00 H
ATOM 377 HD2 LYS A 45 -12.574 7.388 -11.439 1.00 0.00 H
ATOM 378 HD3 LYS A 45 -14.071 7.344 -12.360 1.00 0.00 H
ATOM 379 HE2 LYS A 45 -13.218 9.374 -10.306 1.00 0.00 H
ATOM 380 HE3 LYS A 45 -13.564 9.634 -12.011 1.00 0.00 H
ATOM 381 HZ1 LYS A 45 -15.404 10.431 -10.790 1.00 0.00 H
ATOM 382 HZ2 LYS A 45 -15.431 9.099 -9.805 1.00 0.00 H
ATOM 383 HZ3 LYS A 45 -15.930 8.943 -11.432 1.00 0.00 H
ATOM 384 N VAL A 46 -11.497 5.890 -7.992 1.00 0.00 N
ATOM 385 CA VAL A 46 -11.404 6.166 -6.592 1.00 0.00 C
ATOM 386 C VAL A 46 -11.988 7.523 -6.308 1.00 0.00 C
ATOM 387 O VAL A 46 -11.490 8.555 -6.762 1.00 0.00 O
ATOM 388 CB VAL A 46 -9.955 6.076 -6.092 1.00 0.00 C
ATOM 389 CG1 VAL A 46 -9.861 6.347 -4.603 1.00 0.00 C
ATOM 390 CG2 VAL A 46 -9.383 4.721 -6.432 1.00 0.00 C
ATOM 391 H VAL A 46 -10.831 6.253 -8.607 1.00 0.00 H
ATOM 392 HA VAL A 46 -12.000 5.441 -6.056 1.00 0.00 H
ATOM 393 HB VAL A 46 -9.366 6.825 -6.588 1.00 0.00 H
ATOM 394 HG11 VAL A 46 -8.827 6.350 -4.291 1.00 0.00 H
ATOM 395 HG12 VAL A 46 -10.383 5.572 -4.061 1.00 0.00 H
ATOM 396 HG13 VAL A 46 -10.318 7.294 -4.348 1.00 0.00 H
ATOM 397 HG21 VAL A 46 -8.366 4.642 -6.082 1.00 0.00 H
ATOM 398 HG22 VAL A 46 -9.426 4.596 -7.506 1.00 0.00 H
ATOM 399 HG23 VAL A 46 -10.001 3.966 -5.968 1.00 0.00 H
ATOM 400 N GLU A 47 -13.056 7.501 -5.626 1.00 0.00 N
ATOM 401 CA GLU A 47 -13.760 8.687 -5.246 1.00 0.00 C
ATOM 402 C GLU A 47 -13.180 9.196 -3.940 1.00 0.00 C
ATOM 403 O GLU A 47 -12.925 10.391 -3.761 1.00 0.00 O
ATOM 404 CB GLU A 47 -15.221 8.337 -5.059 1.00 0.00 C
ATOM 405 CG GLU A 47 -15.862 7.776 -6.261 1.00 0.00 C
ATOM 406 CD GLU A 47 -16.156 8.788 -7.334 1.00 0.00 C
ATOM 407 OE1 GLU A 47 -15.265 9.108 -8.139 1.00 0.00 O
ATOM 408 OE2 GLU A 47 -17.306 9.272 -7.403 1.00 0.00 O
ATOM 409 H GLU A 47 -13.406 6.629 -5.356 1.00 0.00 H
ATOM 410 HA GLU A 47 -13.666 9.428 -6.024 1.00 0.00 H
ATOM 411 HB2 GLU A 47 -15.389 7.677 -4.222 1.00 0.00 H
ATOM 412 HB3 GLU A 47 -15.711 9.263 -4.901 1.00 0.00 H
ATOM 413 HG2 GLU A 47 -15.010 7.223 -6.581 1.00 0.00 H
ATOM 414 HG3 GLU A 47 -16.706 7.142 -6.031 1.00 0.00 H
ATOM 415 N SER A 48 -12.931 8.274 -3.075 1.00 0.00 N
ATOM 416 CA SER A 48 -12.424 8.515 -1.784 1.00 0.00 C
ATOM 417 C SER A 48 -11.480 7.432 -1.465 1.00 0.00 C
ATOM 418 O SER A 48 -11.481 6.419 -2.140 1.00 0.00 O
ATOM 419 CB SER A 48 -13.552 8.511 -0.780 1.00 0.00 C
ATOM 420 OG SER A 48 -14.350 9.682 -0.890 1.00 0.00 O
ATOM 421 H SER A 48 -13.077 7.321 -3.293 1.00 0.00 H
ATOM 422 HA SER A 48 -11.917 9.465 -1.735 1.00 0.00 H
ATOM 423 HB2 SER A 48 -14.161 7.632 -0.938 1.00 0.00 H
ATOM 424 HB3 SER A 48 -13.076 8.463 0.184 1.00 0.00 H
ATOM 425 HG SER A 48 -13.772 10.400 -0.578 1.00 0.00 H
ATOM 426 N ILE A 49 -10.684 7.593 -0.444 1.00 0.00 N
ATOM 427 CA ILE A 49 -9.753 6.581 -0.103 1.00 0.00 C
ATOM 428 C ILE A 49 -10.478 5.290 0.325 1.00 0.00 C
ATOM 429 O ILE A 49 -9.972 4.207 0.204 1.00 0.00 O
ATOM 430 CB ILE A 49 -8.762 7.050 0.942 1.00 0.00 C
ATOM 431 CG1 ILE A 49 -7.727 6.003 1.155 1.00 0.00 C
ATOM 432 CG2 ILE A 49 -9.461 7.350 2.203 1.00 0.00 C
ATOM 433 CD1 ILE A 49 -6.570 6.455 2.027 1.00 0.00 C
ATOM 434 H ILE A 49 -10.688 8.432 0.081 1.00 0.00 H
ATOM 435 HA ILE A 49 -9.217 6.371 -1.016 1.00 0.00 H
ATOM 436 HB ILE A 49 -8.276 7.946 0.587 1.00 0.00 H
ATOM 437 HG12 ILE A 49 -8.151 5.019 1.285 1.00 0.00 H
ATOM 438 HG13 ILE A 49 -7.361 5.826 0.180 1.00 0.00 H
ATOM 439 HG21 ILE A 49 -8.697 7.440 2.961 1.00 0.00 H
ATOM 440 HG22 ILE A 49 -10.096 6.487 2.351 1.00 0.00 H
ATOM 441 HG23 ILE A 49 -10.016 8.267 2.067 1.00 0.00 H
ATOM 442 HD11 ILE A 49 -6.918 6.739 3.010 1.00 0.00 H
ATOM 443 HD12 ILE A 49 -6.139 7.341 1.581 1.00 0.00 H
ATOM 444 HD13 ILE A 49 -5.816 5.684 2.100 1.00 0.00 H
ATOM 445 N GLU A 50 -11.671 5.445 0.751 1.00 0.00 N
ATOM 446 CA GLU A 50 -12.548 4.316 1.063 1.00 0.00 C
ATOM 447 C GLU A 50 -12.745 3.438 -0.203 1.00 0.00 C
ATOM 448 O GLU A 50 -12.893 2.235 -0.106 1.00 0.00 O
ATOM 449 CB GLU A 50 -13.911 4.795 1.514 1.00 0.00 C
ATOM 450 CG GLU A 50 -13.926 5.726 2.704 1.00 0.00 C
ATOM 451 CD GLU A 50 -13.538 5.079 4.005 1.00 0.00 C
ATOM 452 OE1 GLU A 50 -14.244 4.170 4.460 1.00 0.00 O
ATOM 453 OE2 GLU A 50 -12.586 5.533 4.632 1.00 0.00 O
ATOM 454 H GLU A 50 -11.909 6.382 0.880 1.00 0.00 H
ATOM 455 HA GLU A 50 -12.072 3.727 1.839 1.00 0.00 H
ATOM 456 HB2 GLU A 50 -14.359 5.317 0.684 1.00 0.00 H
ATOM 457 HB3 GLU A 50 -14.517 3.931 1.745 1.00 0.00 H
ATOM 458 HG2 GLU A 50 -13.237 6.536 2.515 1.00 0.00 H
ATOM 459 HG3 GLU A 50 -14.921 6.124 2.797 1.00 0.00 H
ATOM 460 N ASP A 51 -12.693 4.058 -1.370 1.00 0.00 N
ATOM 461 CA ASP A 51 -12.878 3.398 -2.638 1.00 0.00 C
ATOM 462 C ASP A 51 -11.700 2.572 -3.007 1.00 0.00 C
ATOM 463 O ASP A 51 -11.829 1.512 -3.567 1.00 0.00 O
ATOM 464 CB ASP A 51 -13.080 4.421 -3.717 1.00 0.00 C
ATOM 465 CG ASP A 51 -14.414 5.080 -3.668 1.00 0.00 C
ATOM 466 OD1 ASP A 51 -14.560 6.045 -2.928 1.00 0.00 O
ATOM 467 OD2 ASP A 51 -15.322 4.654 -4.388 1.00 0.00 O
ATOM 468 H ASP A 51 -12.527 5.024 -1.441 1.00 0.00 H
ATOM 469 HA ASP A 51 -13.763 2.785 -2.591 1.00 0.00 H
ATOM 470 HB2 ASP A 51 -12.306 5.167 -3.603 1.00 0.00 H
ATOM 471 HB3 ASP A 51 -12.896 3.972 -4.669 1.00 0.00 H
ATOM 472 N VAL A 52 -10.559 3.040 -2.656 1.00 0.00 N
ATOM 473 CA VAL A 52 -9.340 2.379 -3.006 1.00 0.00 C
ATOM 474 C VAL A 52 -9.050 1.329 -2.005 1.00 0.00 C
ATOM 475 O VAL A 52 -8.527 0.271 -2.302 1.00 0.00 O
ATOM 476 CB VAL A 52 -8.180 3.383 -3.112 1.00 0.00 C
ATOM 477 CG1 VAL A 52 -8.248 4.428 -2.081 1.00 0.00 C
ATOM 478 CG2 VAL A 52 -6.829 2.709 -3.215 1.00 0.00 C
ATOM 479 H VAL A 52 -10.522 3.831 -2.080 1.00 0.00 H
ATOM 480 HA VAL A 52 -9.482 1.913 -3.969 1.00 0.00 H
ATOM 481 HB VAL A 52 -8.320 4.032 -3.939 1.00 0.00 H
ATOM 482 HG11 VAL A 52 -7.437 5.135 -2.168 1.00 0.00 H
ATOM 483 HG12 VAL A 52 -8.304 3.983 -1.099 1.00 0.00 H
ATOM 484 HG13 VAL A 52 -9.189 4.932 -2.303 1.00 0.00 H
ATOM 485 HG21 VAL A 52 -6.815 1.924 -2.468 1.00 0.00 H
ATOM 486 HG22 VAL A 52 -6.058 3.429 -2.990 1.00 0.00 H
ATOM 487 HG23 VAL A 52 -6.670 2.296 -4.202 1.00 0.00 H
ATOM 488 N ARG A 53 -9.483 1.595 -0.834 1.00 0.00 N
ATOM 489 CA ARG A 53 -9.301 0.728 0.239 1.00 0.00 C
ATOM 490 C ARG A 53 -10.235 -0.498 0.045 1.00 0.00 C
ATOM 491 O ARG A 53 -9.987 -1.593 0.556 1.00 0.00 O
ATOM 492 CB ARG A 53 -9.487 1.579 1.519 1.00 0.00 C
ATOM 493 CG ARG A 53 -10.824 1.847 2.017 1.00 0.00 C
ATOM 494 CD ARG A 53 -11.349 0.672 2.711 1.00 0.00 C
ATOM 495 NE ARG A 53 -12.098 1.013 3.898 1.00 0.00 N
ATOM 496 CZ ARG A 53 -13.436 0.966 4.006 1.00 0.00 C
ATOM 497 NH1 ARG A 53 -14.201 0.829 2.911 1.00 0.00 N
ATOM 498 NH2 ARG A 53 -14.006 1.085 5.200 1.00 0.00 N
ATOM 499 H ARG A 53 -9.924 2.454 -0.656 1.00 0.00 H
ATOM 500 HA ARG A 53 -8.281 0.388 0.179 1.00 0.00 H
ATOM 501 HB2 ARG A 53 -8.931 1.334 2.390 1.00 0.00 H
ATOM 502 HB3 ARG A 53 -9.114 2.550 1.230 1.00 0.00 H
ATOM 503 HG2 ARG A 53 -10.762 2.684 2.699 1.00 0.00 H
ATOM 504 HG3 ARG A 53 -11.381 2.069 1.113 1.00 0.00 H
ATOM 505 HD2 ARG A 53 -11.874 0.018 2.030 1.00 0.00 H
ATOM 506 HD3 ARG A 53 -10.407 0.251 3.016 1.00 0.00 H
ATOM 507 HE ARG A 53 -11.485 1.209 4.649 1.00 0.00 H
ATOM 508 HH11 ARG A 53 -13.819 0.758 1.986 1.00 0.00 H
ATOM 509 HH12 ARG A 53 -15.204 0.786 2.959 1.00 0.00 H
ATOM 510 HH21 ARG A 53 -13.450 1.206 6.027 1.00 0.00 H
ATOM 511 HH22 ARG A 53 -14.999 1.059 5.325 1.00 0.00 H
ATOM 512 N ASN A 54 -11.250 -0.282 -0.790 1.00 0.00 N
ATOM 513 CA ASN A 54 -12.217 -1.310 -1.222 1.00 0.00 C
ATOM 514 C ASN A 54 -11.539 -2.420 -1.968 1.00 0.00 C
ATOM 515 O ASN A 54 -11.976 -3.565 -1.915 1.00 0.00 O
ATOM 516 CB ASN A 54 -13.283 -0.730 -2.140 1.00 0.00 C
ATOM 517 CG ASN A 54 -14.378 0.016 -1.420 1.00 0.00 C
ATOM 518 OD1 ASN A 54 -14.702 -0.277 -0.260 1.00 0.00 O
ATOM 519 ND2 ASN A 54 -14.984 0.950 -2.097 1.00 0.00 N
ATOM 520 H ASN A 54 -11.333 0.636 -1.121 1.00 0.00 H
ATOM 521 HA ASN A 54 -12.702 -1.713 -0.345 1.00 0.00 H
ATOM 522 HB2 ASN A 54 -12.749 -0.021 -2.763 1.00 0.00 H
ATOM 523 HB3 ASN A 54 -13.703 -1.506 -2.763 1.00 0.00 H
ATOM 524 HD21 ASN A 54 -14.718 1.111 -3.029 1.00 0.00 H
ATOM 525 HD22 ASN A 54 -15.672 1.493 -1.659 1.00 0.00 H
ATOM 526 N GLN A 55 -10.459 -2.084 -2.657 1.00 0.00 N
ATOM 527 CA GLN A 55 -9.695 -3.056 -3.432 1.00 0.00 C
ATOM 528 C GLN A 55 -9.180 -4.126 -2.507 1.00 0.00 C
ATOM 529 O GLN A 55 -9.145 -5.295 -2.841 1.00 0.00 O
ATOM 530 CB GLN A 55 -8.529 -2.374 -4.131 1.00 0.00 C
ATOM 531 CG GLN A 55 -8.953 -1.242 -5.029 1.00 0.00 C
ATOM 532 CD GLN A 55 -7.786 -0.487 -5.651 1.00 0.00 C
ATOM 533 OE1 GLN A 55 -6.713 -1.031 -5.876 1.00 0.00 O
ATOM 534 NE2 GLN A 55 -8.000 0.775 -5.936 1.00 0.00 N
ATOM 535 H GLN A 55 -10.162 -1.149 -2.641 1.00 0.00 H
ATOM 536 HA GLN A 55 -10.351 -3.497 -4.169 1.00 0.00 H
ATOM 537 HB2 GLN A 55 -7.854 -1.983 -3.385 1.00 0.00 H
ATOM 538 HB3 GLN A 55 -8.006 -3.103 -4.731 1.00 0.00 H
ATOM 539 HG2 GLN A 55 -9.648 -1.597 -5.771 1.00 0.00 H
ATOM 540 HG3 GLN A 55 -9.487 -0.556 -4.392 1.00 0.00 H
ATOM 541 HE21 GLN A 55 -8.882 1.151 -5.735 1.00 0.00 H
ATOM 542 HE22 GLN A 55 -7.272 1.270 -6.361 1.00 0.00 H
ATOM 543 N CYS A 56 -8.842 -3.720 -1.313 1.00 0.00 N
ATOM 544 CA CYS A 56 -8.362 -4.607 -0.337 1.00 0.00 C
ATOM 545 C CYS A 56 -9.473 -5.308 0.375 1.00 0.00 C
ATOM 546 O CYS A 56 -9.392 -6.525 0.608 1.00 0.00 O
ATOM 547 CB CYS A 56 -7.503 -3.882 0.639 1.00 0.00 C
ATOM 548 SG CYS A 56 -6.046 -3.168 -0.106 1.00 0.00 S
ATOM 549 H CYS A 56 -8.902 -2.772 -1.074 1.00 0.00 H
ATOM 550 HA CYS A 56 -7.747 -5.341 -0.833 1.00 0.00 H
ATOM 551 HB2 CYS A 56 -8.015 -3.146 1.230 1.00 0.00 H
ATOM 552 HB3 CYS A 56 -7.204 -4.656 1.318 1.00 0.00 H
ATOM 553 N THR A 57 -10.533 -4.581 0.686 1.00 0.00 N
ATOM 554 CA THR A 57 -11.652 -5.141 1.422 1.00 0.00 C
ATOM 555 C THR A 57 -12.359 -6.194 0.615 1.00 0.00 C
ATOM 556 O THR A 57 -13.001 -7.092 1.157 1.00 0.00 O
ATOM 557 CB THR A 57 -12.617 -4.061 1.918 1.00 0.00 C
ATOM 558 OG1 THR A 57 -13.160 -3.343 0.813 1.00 0.00 O
ATOM 559 CG2 THR A 57 -11.883 -3.092 2.817 1.00 0.00 C
ATOM 560 H THR A 57 -10.584 -3.633 0.431 1.00 0.00 H
ATOM 561 HA THR A 57 -11.223 -5.638 2.282 1.00 0.00 H
ATOM 562 HB THR A 57 -13.390 -4.549 2.490 1.00 0.00 H
ATOM 563 HG1 THR A 57 -13.950 -2.885 1.133 1.00 0.00 H
ATOM 564 HG21 THR A 57 -11.507 -3.620 3.680 1.00 0.00 H
ATOM 565 HG22 THR A 57 -12.537 -2.289 3.121 1.00 0.00 H
ATOM 566 HG23 THR A 57 -11.045 -2.699 2.258 1.00 0.00 H
ATOM 567 N ASP A 58 -12.149 -6.126 -0.677 1.00 0.00 N
ATOM 568 CA ASP A 58 -12.670 -7.108 -1.618 1.00 0.00 C
ATOM 569 C ASP A 58 -12.052 -8.472 -1.348 1.00 0.00 C
ATOM 570 O ASP A 58 -12.663 -9.502 -1.578 1.00 0.00 O
ATOM 571 CB ASP A 58 -12.374 -6.687 -3.060 1.00 0.00 C
ATOM 572 CG ASP A 58 -12.806 -7.727 -4.077 1.00 0.00 C
ATOM 573 OD1 ASP A 58 -14.010 -7.867 -4.331 1.00 0.00 O
ATOM 574 OD2 ASP A 58 -11.925 -8.430 -4.632 1.00 0.00 O
ATOM 575 H ASP A 58 -11.624 -5.349 -0.983 1.00 0.00 H
ATOM 576 HA ASP A 58 -13.740 -7.164 -1.481 1.00 0.00 H
ATOM 577 HB2 ASP A 58 -12.876 -5.757 -3.276 1.00 0.00 H
ATOM 578 HB3 ASP A 58 -11.308 -6.539 -3.159 1.00 0.00 H
ATOM 579 N HIS A 59 -10.863 -8.464 -0.775 1.00 0.00 N
ATOM 580 CA HIS A 59 -10.129 -9.682 -0.513 1.00 0.00 C
ATOM 581 C HIS A 59 -10.253 -10.055 0.941 1.00 0.00 C
ATOM 582 O HIS A 59 -9.596 -10.978 1.406 1.00 0.00 O
ATOM 583 CB HIS A 59 -8.632 -9.543 -0.850 1.00 0.00 C
ATOM 584 CG HIS A 59 -8.292 -9.247 -2.287 1.00 0.00 C
ATOM 585 ND1 HIS A 59 -7.815 -10.183 -3.174 1.00 0.00 N
ATOM 586 CD2 HIS A 59 -8.330 -8.098 -2.970 1.00 0.00 C
ATOM 587 CE1 HIS A 59 -7.584 -9.605 -4.331 1.00 0.00 C
ATOM 588 NE2 HIS A 59 -7.890 -8.342 -4.232 1.00 0.00 N
ATOM 589 H HIS A 59 -10.491 -7.611 -0.462 1.00 0.00 H
ATOM 590 HA HIS A 59 -10.551 -10.472 -1.109 1.00 0.00 H
ATOM 591 HB2 HIS A 59 -8.169 -8.797 -0.219 1.00 0.00 H
ATOM 592 HB3 HIS A 59 -8.206 -10.494 -0.594 1.00 0.00 H
ATOM 593 HD1 HIS A 59 -7.669 -11.143 -3.012 1.00 0.00 H
ATOM 594 HD2 HIS A 59 -8.645 -7.145 -2.571 1.00 0.00 H
ATOM 595 HE1 HIS A 59 -7.211 -10.088 -5.220 1.00 0.00 H
ATOM 596 HE2 HIS A 59 -8.212 -7.826 -5.006 1.00 0.00 H
ATOM 597 N GLY A 60 -11.097 -9.337 1.660 1.00 0.00 N
ATOM 598 CA GLY A 60 -11.220 -9.574 3.078 1.00 0.00 C
ATOM 599 C GLY A 60 -10.084 -8.925 3.836 1.00 0.00 C
ATOM 600 O GLY A 60 -9.779 -9.276 4.968 1.00 0.00 O
ATOM 601 H GLY A 60 -11.669 -8.666 1.231 1.00 0.00 H
ATOM 602 HA2 GLY A 60 -12.169 -9.205 3.435 1.00 0.00 H
ATOM 603 HA3 GLY A 60 -11.161 -10.642 3.212 1.00 0.00 H
ATOM 604 N ALA A 61 -9.463 -7.981 3.192 1.00 0.00 N
ATOM 605 CA ALA A 61 -8.341 -7.261 3.747 1.00 0.00 C
ATOM 606 C ALA A 61 -8.711 -5.809 3.837 1.00 0.00 C
ATOM 607 O ALA A 61 -9.830 -5.460 3.560 1.00 0.00 O
ATOM 608 CB ALA A 61 -7.113 -7.445 2.867 1.00 0.00 C
ATOM 609 H ALA A 61 -9.791 -7.736 2.299 1.00 0.00 H
ATOM 610 HA ALA A 61 -8.136 -7.650 4.733 1.00 0.00 H
ATOM 611 HB1 ALA A 61 -6.865 -8.495 2.810 1.00 0.00 H
ATOM 612 HB2 ALA A 61 -6.281 -6.898 3.287 1.00 0.00 H
ATOM 613 HB3 ALA A 61 -7.325 -7.072 1.875 1.00 0.00 H
ATOM 614 N ASP A 62 -7.831 -4.995 4.287 1.00 0.00 N
ATOM 615 CA ASP A 62 -8.043 -3.561 4.264 1.00 0.00 C
ATOM 616 C ASP A 62 -6.704 -2.972 3.909 1.00 0.00 C
ATOM 617 O ASP A 62 -5.748 -3.731 3.792 1.00 0.00 O
ATOM 618 CB ASP A 62 -8.574 -3.004 5.591 1.00 0.00 C
ATOM 619 CG ASP A 62 -9.430 -1.760 5.376 1.00 0.00 C
ATOM 620 OD1 ASP A 62 -9.054 -0.898 4.563 1.00 0.00 O
ATOM 621 OD2 ASP A 62 -10.511 -1.646 6.024 1.00 0.00 O
ATOM 622 H ASP A 62 -6.981 -5.316 4.661 1.00 0.00 H
ATOM 623 HA ASP A 62 -8.726 -3.356 3.451 1.00 0.00 H
ATOM 624 HB2 ASP A 62 -9.168 -3.754 6.089 1.00 0.00 H
ATOM 625 HB3 ASP A 62 -7.742 -2.732 6.222 1.00 0.00 H
ATOM 626 N MET A 63 -6.614 -1.706 3.635 1.00 0.00 N
ATOM 627 CA MET A 63 -5.324 -1.125 3.240 1.00 0.00 C
ATOM 628 C MET A 63 -4.255 -1.252 4.338 1.00 0.00 C
ATOM 629 O MET A 63 -4.565 -1.361 5.537 1.00 0.00 O
ATOM 630 CB MET A 63 -5.424 0.327 2.749 1.00 0.00 C
ATOM 631 CG MET A 63 -6.199 0.511 1.474 1.00 0.00 C
ATOM 632 SD MET A 63 -6.302 2.244 0.934 1.00 0.00 S
ATOM 633 CE MET A 63 -4.587 2.643 0.590 1.00 0.00 C
ATOM 634 H MET A 63 -7.424 -1.153 3.758 1.00 0.00 H
ATOM 635 HA MET A 63 -4.982 -1.738 2.419 1.00 0.00 H
ATOM 636 HB2 MET A 63 -5.888 0.935 3.509 1.00 0.00 H
ATOM 637 HB3 MET A 63 -4.427 0.702 2.565 1.00 0.00 H
ATOM 638 HG2 MET A 63 -5.752 -0.063 0.674 1.00 0.00 H
ATOM 639 HG3 MET A 63 -7.196 0.150 1.676 1.00 0.00 H
ATOM 640 HE1 MET A 63 -4.195 2.105 -0.263 1.00 0.00 H
ATOM 641 HE2 MET A 63 -3.983 2.420 1.458 1.00 0.00 H
ATOM 642 HE3 MET A 63 -4.517 3.702 0.387 1.00 0.00 H
ATOM 643 N ILE A 64 -3.023 -1.336 3.875 1.00 0.00 N
ATOM 644 CA ILE A 64 -1.779 -1.390 4.673 1.00 0.00 C
ATOM 645 C ILE A 64 -1.782 -0.430 5.910 1.00 0.00 C
ATOM 646 O ILE A 64 -2.393 0.618 5.890 1.00 0.00 O
ATOM 647 CB ILE A 64 -0.580 -1.052 3.734 1.00 0.00 C
ATOM 648 CG1 ILE A 64 0.669 -0.701 4.521 1.00 0.00 C
ATOM 649 CG2 ILE A 64 -0.939 0.024 2.715 1.00 0.00 C
ATOM 650 CD1 ILE A 64 1.813 -0.196 3.698 1.00 0.00 C
ATOM 651 H ILE A 64 -2.931 -1.376 2.897 1.00 0.00 H
ATOM 652 HA ILE A 64 -1.646 -2.403 5.023 1.00 0.00 H
ATOM 653 HB ILE A 64 -0.393 -1.941 3.157 1.00 0.00 H
ATOM 654 HG12 ILE A 64 0.329 0.114 5.148 1.00 0.00 H
ATOM 655 HG13 ILE A 64 0.996 -1.581 5.074 1.00 0.00 H
ATOM 656 HG21 ILE A 64 -1.304 0.909 3.214 1.00 0.00 H
ATOM 657 HG22 ILE A 64 -1.686 -0.365 2.034 1.00 0.00 H
ATOM 658 HG23 ILE A 64 -0.054 0.268 2.146 1.00 0.00 H
ATOM 659 HD11 ILE A 64 2.066 -0.970 2.993 1.00 0.00 H
ATOM 660 HD12 ILE A 64 2.664 -0.006 4.337 1.00 0.00 H
ATOM 661 HD13 ILE A 64 1.529 0.699 3.165 1.00 0.00 H
ATOM 662 N SER A 65 -1.060 -0.783 6.958 1.00 0.00 N
ATOM 663 CA SER A 65 -1.043 -0.016 8.179 1.00 0.00 C
ATOM 664 C SER A 65 0.230 -0.284 8.962 1.00 0.00 C
ATOM 665 O SER A 65 0.481 -1.408 9.424 1.00 0.00 O
ATOM 666 CB SER A 65 -2.279 -0.289 9.019 1.00 0.00 C
ATOM 667 OG SER A 65 -3.472 0.141 8.349 1.00 0.00 O
ATOM 668 H SER A 65 -0.430 -1.532 6.895 1.00 0.00 H
ATOM 669 HA SER A 65 -1.033 1.027 7.895 1.00 0.00 H
ATOM 670 HB2 SER A 65 -2.345 -1.352 9.204 1.00 0.00 H
ATOM 671 HB3 SER A 65 -2.195 0.245 9.956 1.00 0.00 H
ATOM 672 HG SER A 65 -3.260 0.278 7.413 1.00 0.00 H
ATOM 673 N ILE A 66 0.974 0.764 9.162 1.00 0.00 N
ATOM 674 CA ILE A 66 2.290 0.697 9.717 1.00 0.00 C
ATOM 675 C ILE A 66 2.297 1.048 11.173 1.00 0.00 C
ATOM 676 O ILE A 66 1.843 2.112 11.584 1.00 0.00 O
ATOM 677 CB ILE A 66 3.210 1.671 8.968 1.00 0.00 C
ATOM 678 CG1 ILE A 66 3.085 1.384 7.467 1.00 0.00 C
ATOM 679 CG2 ILE A 66 4.625 1.511 9.458 1.00 0.00 C
ATOM 680 CD1 ILE A 66 3.967 2.161 6.545 1.00 0.00 C
ATOM 681 H ILE A 66 0.629 1.648 8.926 1.00 0.00 H
ATOM 682 HA ILE A 66 2.695 -0.294 9.581 1.00 0.00 H
ATOM 683 HB ILE A 66 2.923 2.689 9.178 1.00 0.00 H
ATOM 684 HG12 ILE A 66 3.358 0.348 7.330 1.00 0.00 H
ATOM 685 HG13 ILE A 66 2.056 1.484 7.157 1.00 0.00 H
ATOM 686 HG21 ILE A 66 4.900 0.482 9.291 1.00 0.00 H
ATOM 687 HG22 ILE A 66 4.663 1.728 10.515 1.00 0.00 H
ATOM 688 HG23 ILE A 66 5.290 2.168 8.921 1.00 0.00 H
ATOM 689 HD11 ILE A 66 4.999 2.026 6.833 1.00 0.00 H
ATOM 690 HD12 ILE A 66 3.706 3.209 6.586 1.00 0.00 H
ATOM 691 HD13 ILE A 66 3.829 1.790 5.541 1.00 0.00 H
ATOM 692 N HIS A 67 2.777 0.153 11.955 1.00 0.00 N
ATOM 693 CA HIS A 67 2.909 0.404 13.348 1.00 0.00 C
ATOM 694 C HIS A 67 4.348 0.365 13.757 1.00 0.00 C
ATOM 695 O HIS A 67 4.659 0.594 14.917 1.00 0.00 O
ATOM 696 CB HIS A 67 2.076 -0.570 14.181 1.00 0.00 C
ATOM 697 CG HIS A 67 0.599 -0.399 14.010 1.00 0.00 C
ATOM 698 ND1 HIS A 67 -0.193 0.197 14.947 1.00 0.00 N
ATOM 699 CD2 HIS A 67 -0.231 -0.768 13.007 1.00 0.00 C
ATOM 700 CE1 HIS A 67 -1.435 0.189 14.543 1.00 0.00 C
ATOM 701 NE2 HIS A 67 -1.499 -0.397 13.363 1.00 0.00 N
ATOM 702 H HIS A 67 3.018 -0.728 11.593 1.00 0.00 H
ATOM 703 HA HIS A 67 2.538 1.402 13.525 1.00 0.00 H
ATOM 704 HB2 HIS A 67 2.330 -1.583 13.904 1.00 0.00 H
ATOM 705 HB3 HIS A 67 2.309 -0.423 15.226 1.00 0.00 H
ATOM 706 HD1 HIS A 67 0.122 0.567 15.805 1.00 0.00 H
ATOM 707 HD2 HIS A 67 0.051 -1.235 12.076 1.00 0.00 H
ATOM 708 HE1 HIS A 67 -2.264 0.628 15.077 1.00 0.00 H
ATOM 709 HE2 HIS A 67 -2.258 -0.981 13.129 1.00 0.00 H
ATOM 710 N ASN A 68 5.262 0.110 12.789 1.00 0.00 N
ATOM 711 CA ASN A 68 6.700 0.033 13.099 1.00 0.00 C
ATOM 712 C ASN A 68 7.430 0.165 11.806 1.00 0.00 C
ATOM 713 O ASN A 68 6.846 -0.075 10.760 1.00 0.00 O
ATOM 714 CB ASN A 68 7.122 -1.337 13.699 1.00 0.00 C
ATOM 715 CG ASN A 68 6.337 -1.831 14.888 1.00 0.00 C
ATOM 716 OD1 ASN A 68 6.664 -1.564 16.044 1.00 0.00 O
ATOM 717 ND2 ASN A 68 5.299 -2.561 14.613 1.00 0.00 N
ATOM 718 H ASN A 68 5.024 0.013 11.838 1.00 0.00 H
ATOM 719 HA ASN A 68 6.969 0.850 13.748 1.00 0.00 H
ATOM 720 HB2 ASN A 68 7.031 -2.091 12.932 1.00 0.00 H
ATOM 721 HB3 ASN A 68 8.159 -1.280 13.986 1.00 0.00 H
ATOM 722 HD21 ASN A 68 5.099 -2.727 13.665 1.00 0.00 H
ATOM 723 HD22 ASN A 68 4.758 -2.941 15.335 1.00 0.00 H
ATOM 724 N GLU A 69 8.718 0.488 11.852 1.00 0.00 N
ATOM 725 CA GLU A 69 9.492 0.570 10.648 1.00 0.00 C
ATOM 726 C GLU A 69 9.711 -0.791 10.079 1.00 0.00 C
ATOM 727 O GLU A 69 10.045 -0.927 8.923 1.00 0.00 O
ATOM 728 CB GLU A 69 10.809 1.265 10.840 1.00 0.00 C
ATOM 729 CG GLU A 69 11.761 0.650 11.820 1.00 0.00 C
ATOM 730 CD GLU A 69 13.008 1.485 11.944 1.00 0.00 C
ATOM 731 OE1 GLU A 69 13.935 1.325 11.122 1.00 0.00 O
ATOM 732 OE2 GLU A 69 13.077 2.350 12.837 1.00 0.00 O
ATOM 733 H GLU A 69 9.176 0.696 12.693 1.00 0.00 H
ATOM 734 HA GLU A 69 8.897 1.138 9.949 1.00 0.00 H
ATOM 735 HB2 GLU A 69 11.280 1.100 9.890 1.00 0.00 H
ATOM 736 HB3 GLU A 69 10.680 2.318 11.039 1.00 0.00 H
ATOM 737 HG2 GLU A 69 11.265 0.545 12.769 1.00 0.00 H
ATOM 738 HG3 GLU A 69 12.036 -0.332 11.461 1.00 0.00 H
ATOM 739 N GLU A 70 9.509 -1.792 10.915 1.00 0.00 N
ATOM 740 CA GLU A 70 9.560 -3.151 10.525 1.00 0.00 C
ATOM 741 C GLU A 70 8.568 -3.340 9.383 1.00 0.00 C
ATOM 742 O GLU A 70 8.923 -3.853 8.343 1.00 0.00 O
ATOM 743 CB GLU A 70 9.148 -3.964 11.727 1.00 0.00 C
ATOM 744 CG GLU A 70 10.110 -5.039 12.185 1.00 0.00 C
ATOM 745 CD GLU A 70 10.089 -6.275 11.342 1.00 0.00 C
ATOM 746 OE1 GLU A 70 10.791 -6.328 10.309 1.00 0.00 O