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2BEG.pdb
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2BEG.pdb
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HEADER PROTEIN FIBRIL 24-OCT-05 2BEG
TITLE 3D STRUCTURE OF ALZHEIMER'S ABETA(1-42) FIBRILS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AMYLOID BETA A4 PROTEIN;
COMPND 3 CHAIN: A, B, C, D, E;
COMPND 4 FRAGMENT: BETA-AMYLOID PROTEIN 42;
COMPND 5 SYNONYM: APP, ABPP, ALZHEIMER'S DISEASE AMYLOID PROTEIN,
COMPND 6 CEREBRAL VASCULAR AMYLOID PEPTIDE, CVAP, PROTEASE NEXIN-II,
COMPND 7 PN-II, APPI;
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: APP;
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 10 EXPRESSION_SYSTEM_PLASMID: PRSET
KEYWDS ALZHEIMER'S, FIBRIL, PROTOFILAMENT, BETA-SANDWICH, QUENCHED
KEYWDS 2 HYDROGEN/DEUTERIUM EXCHANGE, PAIRWISE MUTAGENESIS, PROTEIN
KEYWDS 3 FIBRIL
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR T.LUHRS,C.RITTER,M.ADRIAN,D.RIEK-LOHER,B.BOHRMANN,H.DOBELI,
AUTHOR 2 D.SCHUBERT,R.RIEK
REVDAT 3 24-FEB-09 2BEG 1 VERSN
REVDAT 2 20-DEC-05 2BEG 1 JRNL
REVDAT 1 22-NOV-05 2BEG 0
JRNL AUTH T.LUHRS,C.RITTER,M.ADRIAN,D.RIEK-LOHER,B.BOHRMANN,
JRNL AUTH 2 H.DOBELI,D.SCHUBERT,R.RIEK
JRNL TITL 3D STRUCTURE OF ALZHEIMER'S AMYLOID-{BETA}(1-42)
JRNL TITL 2 FIBRILS.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 102 17342 2005
JRNL REFN ISSN 0027-8424
JRNL PMID 16293696
JRNL DOI 10.1073/PNAS.0506723102
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.0.6
REMARK 3 AUTHORS : GUNTERT, P., HERRMANN, T.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2BEG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-OCT-05.
REMARK 100 THE RCSB ID CODE IS RCSB034997.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CYANA 1.0.6
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: RESTRAINTS FOR THE CALCULATION OF THE STRUCTURE WERE
REMARK 210 OBTAINED FORM QUENCHED HYDROGEN/DEUTERIUM EXCHANGE
REMARK 210 MEASUREMENTS, CRYOGENIC ELECTRON MICROSCOPY, AND PAIRWISE
REMARK 210 MUTAGENESIS STUDIES IN COMBINATION WITH THIOFLAVIN T
REMARK 210 FLUORESCENCE. FOR DETAILS ON THE PROCESS, PLEASE REFER TO THE
REMARK 210 ORIGINAL PUBLICATION.
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-10
REMARK 465 RES C SSSEQI
REMARK 465 ASP A 1
REMARK 465 ALA A 2
REMARK 465 GLU A 3
REMARK 465 PHE A 4
REMARK 465 ARG A 5
REMARK 465 HIS A 6
REMARK 465 ASP A 7
REMARK 465 SER A 8
REMARK 465 GLY A 9
REMARK 465 TYR A 10
REMARK 465 GLU A 11
REMARK 465 VAL A 12
REMARK 465 HIS A 13
REMARK 465 HIS A 14
REMARK 465 GLN A 15
REMARK 465 LYS A 16
REMARK 465 ASP B 1
REMARK 465 ALA B 2
REMARK 465 GLU B 3
REMARK 465 PHE B 4
REMARK 465 ARG B 5
REMARK 465 HIS B 6
REMARK 465 ASP B 7
REMARK 465 SER B 8
REMARK 465 GLY B 9
REMARK 465 TYR B 10
REMARK 465 GLU B 11
REMARK 465 VAL B 12
REMARK 465 HIS B 13
REMARK 465 HIS B 14
REMARK 465 GLN B 15
REMARK 465 LYS B 16
REMARK 465 ASP C 1
REMARK 465 ALA C 2
REMARK 465 GLU C 3
REMARK 465 PHE C 4
REMARK 465 ARG C 5
REMARK 465 HIS C 6
REMARK 465 ASP C 7
REMARK 465 SER C 8
REMARK 465 GLY C 9
REMARK 465 TYR C 10
REMARK 465 GLU C 11
REMARK 465 VAL C 12
REMARK 465 HIS C 13
REMARK 465 HIS C 14
REMARK 465 GLN C 15
REMARK 465 LYS C 16
REMARK 465 ASP D 1
REMARK 465 ALA D 2
REMARK 465 GLU D 3
REMARK 465 PHE D 4
REMARK 465 ARG D 5
REMARK 465 HIS D 6
REMARK 465 ASP D 7
REMARK 465 SER D 8
REMARK 465 GLY D 9
REMARK 465 TYR D 10
REMARK 465 GLU D 11
REMARK 465 VAL D 12
REMARK 465 HIS D 13
REMARK 465 HIS D 14
REMARK 465 GLN D 15
REMARK 465 LYS D 16
REMARK 465 ASP E 1
REMARK 465 ALA E 2
REMARK 465 GLU E 3
REMARK 465 PHE E 4
REMARK 465 ARG E 5
REMARK 465 HIS E 6
REMARK 465 ASP E 7
REMARK 465 SER E 8
REMARK 465 GLY E 9
REMARK 465 TYR E 10
REMARK 465 GLU E 11
REMARK 465 VAL E 12
REMARK 465 HIS E 13
REMARK 465 HIS E 14
REMARK 465 GLN E 15
REMARK 465 LYS E 16
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 PHE A 20 77.20 -108.45
REMARK 500 1 ASN A 27 163.87 63.24
REMARK 500 1 LYS A 28 113.36 60.35
REMARK 500 1 ALA A 30 -146.79 42.61
REMARK 500 1 ASN B 27 69.32 62.91
REMARK 500 1 LYS B 28 -95.92 -73.15
REMARK 500 1 ALA B 30 -144.14 64.86
REMARK 500 1 ASN C 27 67.98 80.03
REMARK 500 1 LYS C 28 -101.00 -64.81
REMARK 500 1 ALA C 30 -142.63 58.05
REMARK 500 1 ASN D 27 76.62 78.39
REMARK 500 1 LYS D 28 -92.64 -67.25
REMARK 500 1 ALA D 30 -144.64 44.62
REMARK 500 1 ASN E 27 78.08 72.23
REMARK 500 1 LYS E 28 -81.19 -72.19
REMARK 500 1 ALA E 30 -148.87 47.17
REMARK 500 2 ASN A 27 102.79 81.13
REMARK 500 2 ASN B 27 51.92 82.28
REMARK 500 2 LYS B 28 171.76 -50.34
REMARK 500 2 ASN C 27 90.54 84.20
REMARK 500 2 ALA C 30 -109.30 165.22
REMARK 500 2 ASN D 27 43.33 76.64
REMARK 500 2 ALA D 30 -157.82 -158.49
REMARK 500 2 ASN E 27 -52.95 80.80
REMARK 500 2 LYS E 28 88.29 39.81
REMARK 500 2 ALA E 30 -138.47 -130.87
REMARK 500 3 ASN A 27 76.95 71.32
REMARK 500 3 ALA A 30 -152.38 71.04
REMARK 500 3 ASN B 27 92.63 80.20
REMARK 500 3 ALA B 30 -122.01 63.11
REMARK 500 3 ASN C 27 70.44 82.83
REMARK 500 3 ALA C 30 -94.29 67.82
REMARK 500 3 ASN D 27 63.35 82.68
REMARK 500 3 ALA D 30 -158.58 171.25
REMARK 500 3 ASN E 27 53.27 81.64
REMARK 500 3 ALA E 30 -95.81 59.50
REMARK 500 4 ASN A 27 -171.31 72.11
REMARK 500 4 LYS A 28 165.64 58.38
REMARK 500 4 ASN B 27 94.86 66.93
REMARK 500 4 LYS B 28 -178.19 -50.23
REMARK 500 4 ALA B 30 -84.89 -62.51
REMARK 500 4 ASN C 27 89.49 53.59
REMARK 500 4 LYS C 28 167.63 -43.69
REMARK 500 4 ALA C 30 -75.24 -48.18
REMARK 500 4 ASN D 27 84.77 77.78
REMARK 500 4 ALA D 30 -143.07 36.44
REMARK 500 4 ASN E 27 86.00 70.46
REMARK 500 4 ALA E 30 -155.84 51.06
REMARK 500 5 ASN A 27 45.96 78.82
REMARK 500 5 ALA A 30 -158.42 83.54
REMARK 500 5 ALA B 30 -179.12 177.72
REMARK 500 5 ASN C 27 69.55 73.91
REMARK 500 5 ALA C 30 -124.08 68.40
REMARK 500 5 ASN D 27 89.79 76.61
REMARK 500 5 ALA D 30 -122.75 56.97
REMARK 500 5 ASN E 27 79.88 64.32
REMARK 500 5 ALA E 30 -156.48 57.19
REMARK 500 6 ASN A 27 76.10 69.51
REMARK 500 6 ALA A 30 -168.07 69.24
REMARK 500 6 ASN B 27 108.14 78.48
REMARK 500 6 ALA B 30 -101.57 62.79
REMARK 500 6 ASN C 27 62.05 73.50
REMARK 500 6 ALA C 30 -139.48 61.36
REMARK 500 6 ASN D 27 36.97 76.32
REMARK 500 6 ALA D 30 -141.75 52.52
REMARK 500 6 ASN E 27 -42.11 87.32
REMARK 500 6 LYS E 28 60.39 26.57
REMARK 500 6 ALA E 30 -140.95 54.38
REMARK 500 7 ASN A 27 80.32 53.89
REMARK 500 7 ALA A 30 -165.46 65.46
REMARK 500 7 ALA B 30 -157.59 58.43
REMARK 500 7 ASN C 27 70.90 59.89
REMARK 500 7 ALA C 30 -129.72 63.23
REMARK 500 7 ASN D 27 44.49 84.23
REMARK 500 7 ALA D 30 -112.79 61.95
REMARK 500 7 ASN E 27 45.65 153.26
REMARK 500 7 ALA E 30 -147.35 62.29
REMARK 500 7 ILE E 32 77.16 -110.55
REMARK 500 7 VAL E 36 86.00 -162.87
REMARK 500 8 ASN A 27 99.44 84.39
REMARK 500 8 ALA A 30 -98.46 63.32
REMARK 500 8 ASN B 27 105.34 75.98
REMARK 500 8 LYS B 28 -164.84 -117.11
REMARK 500 8 ALA B 30 -95.87 59.12
REMARK 500 8 ALA C 30 -147.07 58.49
REMARK 500 8 ASN D 27 71.33 65.24
REMARK 500 8 ALA D 30 -101.22 54.37
REMARK 500 8 ASN E 27 79.20 66.58
REMARK 500 8 LYS E 28 52.93 -102.29
REMARK 500 8 ALA E 30 -145.12 -147.01
REMARK 500 9 ASN A 27 123.55 74.46
REMARK 500 9 LYS A 28 -163.76 -168.39
REMARK 500 9 ALA A 30 -149.70 53.65
REMARK 500 9 ASN B 27 95.41 82.90
REMARK 500 9 ALA B 30 -143.56 61.26
REMARK 500 9 ASN C 27 51.73 73.47
REMARK 500 9 ALA C 30 -127.05 63.69
REMARK 500 9 ASN D 27 72.95 78.58
REMARK 500 9 ALA D 30 -107.06 63.17
REMARK 500 9 LEU D 34 79.51 -117.75
REMARK 500 9 ASN E 27 87.03 53.60
REMARK 500 9 ALA E 30 -149.52 53.83
REMARK 500 10 ASN A 27 114.00 73.83
REMARK 500 10 ALA A 30 -101.02 57.48
REMARK 500 10 ASN B 27 55.49 76.99
REMARK 500 10 ALA B 30 -101.46 63.95
REMARK 500 10 ASN C 27 73.72 72.70
REMARK 500 10 ALA C 30 -137.48 55.40
REMARK 500 10 ASN D 27 86.57 71.46
REMARK 500 10 ALA D 30 -100.04 58.09
REMARK 500 10 ASN E 27 77.38 65.38
REMARK 500 10 ALA E 30 -145.42 50.70
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2BEG A 1 42 UNP P05067 A4_HUMAN 672 713
DBREF 2BEG B 1 42 UNP P05067 A4_HUMAN 672 713
DBREF 2BEG C 1 42 UNP P05067 A4_HUMAN 672 713
DBREF 2BEG D 1 42 UNP P05067 A4_HUMAN 672 713
DBREF 2BEG E 1 42 UNP P05067 A4_HUMAN 672 713
SEQRES 1 A 42 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 A 42 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 A 42 ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY VAL
SEQRES 4 A 42 VAL ILE ALA
SEQRES 1 B 42 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 B 42 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 B 42 ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY VAL
SEQRES 4 B 42 VAL ILE ALA
SEQRES 1 C 42 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 C 42 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 C 42 ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY VAL
SEQRES 4 C 42 VAL ILE ALA
SEQRES 1 D 42 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 D 42 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 D 42 ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY VAL
SEQRES 4 D 42 VAL ILE ALA
SEQRES 1 E 42 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 E 42 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 E 42 ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY VAL
SEQRES 4 E 42 VAL ILE ALA
SHEET 1 A 5 VAL A 18 SER A 26 0
SHEET 2 A 5 VAL B 18 SER B 26 1 O PHE B 19 N PHE A 20
SHEET 3 A 5 VAL C 18 SER C 26 1 O GLY C 25 N SER B 26
SHEET 4 A 5 VAL D 18 SER D 26 1 O PHE D 19 N PHE C 20
SHEET 5 A 5 VAL E 18 SER E 26 1 O ASP E 23 N VAL D 24
SHEET 1 B 5 ILE A 31 ILE A 41 0
SHEET 2 B 5 ILE B 31 ILE B 41 1 O GLY B 38 N VAL A 39
SHEET 3 B 5 ILE C 31 ILE C 41 1 O GLY C 38 N VAL B 39
SHEET 4 B 5 ILE D 31 ILE D 41 1 O VAL D 36 N MET C 35
SHEET 5 B 5 ILE E 31 ILE E 41 1 O LEU E 34 N GLY D 33
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 LEU A 17 -16.074 -6.064 -3.588 1.00 0.00 N
ATOM 2 CA LEU A 17 -15.394 -4.793 -3.408 1.00 0.00 C
ATOM 3 C LEU A 17 -14.229 -4.977 -2.434 1.00 0.00 C
ATOM 4 O LEU A 17 -14.238 -4.420 -1.337 1.00 0.00 O
ATOM 5 CB LEU A 17 -16.387 -3.710 -2.982 1.00 0.00 C
ATOM 6 CG LEU A 17 -17.448 -3.328 -4.016 1.00 0.00 C
ATOM 7 CD1 LEU A 17 -18.857 -3.570 -3.471 1.00 0.00 C
ATOM 8 CD2 LEU A 17 -17.257 -1.886 -4.490 1.00 0.00 C
ATOM 9 H LEU A 17 -16.261 -6.313 -4.539 1.00 0.00 H
ATOM 10 HA LEU A 17 -14.992 -4.498 -4.377 1.00 0.00 H
ATOM 11 HB2 LEU A 17 -16.895 -4.046 -2.077 1.00 0.00 H
ATOM 12 HB3 LEU A 17 -15.826 -2.814 -2.718 1.00 0.00 H
ATOM 13 HG LEU A 17 -17.324 -3.972 -4.886 1.00 0.00 H
ATOM 14 HD11 LEU A 17 -19.509 -2.751 -3.775 1.00 0.00 H
ATOM 15 HD12 LEU A 17 -19.244 -4.509 -3.868 1.00 0.00 H
ATOM 16 HD13 LEU A 17 -18.822 -3.623 -2.383 1.00 0.00 H
ATOM 17 HD21 LEU A 17 -18.008 -1.248 -4.025 1.00 0.00 H
ATOM 18 HD22 LEU A 17 -16.262 -1.540 -4.209 1.00 0.00 H
ATOM 19 HD23 LEU A 17 -17.364 -1.843 -5.574 1.00 0.00 H
ATOM 20 N VAL A 18 -13.253 -5.760 -2.870 1.00 0.00 N
ATOM 21 CA VAL A 18 -12.083 -6.024 -2.050 1.00 0.00 C
ATOM 22 C VAL A 18 -10.893 -5.231 -2.596 1.00 0.00 C
ATOM 23 O VAL A 18 -10.863 -4.885 -3.776 1.00 0.00 O
ATOM 24 CB VAL A 18 -11.818 -7.529 -1.985 1.00 0.00 C
ATOM 25 CG1 VAL A 18 -13.115 -8.304 -1.739 1.00 0.00 C
ATOM 26 CG2 VAL A 18 -11.119 -8.019 -3.255 1.00 0.00 C
ATOM 27 H VAL A 18 -13.253 -6.209 -3.763 1.00 0.00 H
ATOM 28 HA VAL A 18 -12.303 -5.676 -1.041 1.00 0.00 H
ATOM 29 HB VAL A 18 -11.152 -7.716 -1.143 1.00 0.00 H
ATOM 30 HG11 VAL A 18 -12.943 -9.070 -0.983 1.00 0.00 H
ATOM 31 HG12 VAL A 18 -13.888 -7.617 -1.393 1.00 0.00 H
ATOM 32 HG13 VAL A 18 -13.438 -8.775 -2.667 1.00 0.00 H
ATOM 33 HG21 VAL A 18 -10.040 -8.005 -3.103 1.00 0.00 H
ATOM 34 HG22 VAL A 18 -11.442 -9.035 -3.478 1.00 0.00 H
ATOM 35 HG23 VAL A 18 -11.378 -7.364 -4.087 1.00 0.00 H
ATOM 36 N PHE A 19 -9.943 -4.966 -1.711 1.00 0.00 N
ATOM 37 CA PHE A 19 -8.755 -4.221 -2.089 1.00 0.00 C
ATOM 38 C PHE A 19 -7.485 -4.971 -1.683 1.00 0.00 C
ATOM 39 O PHE A 19 -7.200 -5.119 -0.495 1.00 0.00 O
ATOM 40 CB PHE A 19 -8.807 -2.887 -1.342 1.00 0.00 C
ATOM 41 CG PHE A 19 -9.070 -1.679 -2.243 1.00 0.00 C
ATOM 42 CD1 PHE A 19 -10.331 -1.421 -2.683 1.00 0.00 C
ATOM 43 CD2 PHE A 19 -8.044 -0.862 -2.602 1.00 0.00 C
ATOM 44 CE1 PHE A 19 -10.575 -0.299 -3.519 1.00 0.00 C
ATOM 45 CE2 PHE A 19 -8.288 0.259 -3.438 1.00 0.00 C
ATOM 46 CZ PHE A 19 -9.549 0.517 -3.879 1.00 0.00 C
ATOM 47 H PHE A 19 -9.976 -5.252 -0.753 1.00 0.00 H
ATOM 48 HA PHE A 19 -8.776 -4.107 -3.173 1.00 0.00 H
ATOM 49 HB2 PHE A 19 -9.587 -2.938 -0.582 1.00 0.00 H
ATOM 50 HB3 PHE A 19 -7.862 -2.738 -0.819 1.00 0.00 H
ATOM 51 HD1 PHE A 19 -11.153 -2.075 -2.395 1.00 0.00 H
ATOM 52 HD2 PHE A 19 -7.033 -1.069 -2.249 1.00 0.00 H
ATOM 53 HE1 PHE A 19 -11.585 -0.093 -3.872 1.00 0.00 H
ATOM 54 HE2 PHE A 19 -7.466 0.914 -3.727 1.00 0.00 H
ATOM 55 HZ PHE A 19 -9.736 1.378 -4.521 1.00 0.00 H
ATOM 56 N PHE A 20 -6.755 -5.423 -2.692 1.00 0.00 N
ATOM 57 CA PHE A 20 -5.521 -6.154 -2.454 1.00 0.00 C
ATOM 58 C PHE A 20 -4.302 -5.309 -2.830 1.00 0.00 C
ATOM 59 O PHE A 20 -3.700 -5.516 -3.882 1.00 0.00 O
ATOM 60 CB PHE A 20 -5.560 -7.397 -3.345 1.00 0.00 C
ATOM 61 CG PHE A 20 -5.908 -8.687 -2.599 1.00 0.00 C
ATOM 62 CD1 PHE A 20 -7.120 -8.818 -1.996 1.00 0.00 C
ATOM 63 CD2 PHE A 20 -5.005 -9.703 -2.539 1.00 0.00 C
ATOM 64 CE1 PHE A 20 -7.443 -10.015 -1.304 1.00 0.00 C
ATOM 65 CE2 PHE A 20 -5.328 -10.899 -1.846 1.00 0.00 C
ATOM 66 CZ PHE A 20 -6.540 -11.030 -1.244 1.00 0.00 C
ATOM 67 H PHE A 20 -6.993 -5.298 -3.655 1.00 0.00 H
ATOM 68 HA PHE A 20 -5.484 -6.389 -1.391 1.00 0.00 H
ATOM 69 HB2 PHE A 20 -6.290 -7.241 -4.139 1.00 0.00 H
ATOM 70 HB3 PHE A 20 -4.588 -7.518 -3.825 1.00 0.00 H
ATOM 71 HD1 PHE A 20 -7.843 -8.004 -2.045 1.00 0.00 H
ATOM 72 HD2 PHE A 20 -4.033 -9.598 -3.022 1.00 0.00 H
ATOM 73 HE1 PHE A 20 -8.414 -10.120 -0.821 1.00 0.00 H
ATOM 74 HE2 PHE A 20 -4.604 -11.713 -1.798 1.00 0.00 H
ATOM 75 HZ PHE A 20 -6.788 -11.949 -0.712 1.00 0.00 H
ATOM 76 N ALA A 21 -3.975 -4.375 -1.949 1.00 0.00 N
ATOM 77 CA ALA A 21 -2.839 -3.498 -2.175 1.00 0.00 C
ATOM 78 C ALA A 21 -1.675 -3.940 -1.286 1.00 0.00 C
ATOM 79 O ALA A 21 -1.840 -4.108 -0.079 1.00 0.00 O
ATOM 80 CB ALA A 21 -3.254 -2.048 -1.916 1.00 0.00 C
ATOM 81 H ALA A 21 -4.471 -4.214 -1.096 1.00 0.00 H
ATOM 82 HA ALA A 21 -2.546 -3.598 -3.220 1.00 0.00 H
ATOM 83 HB1 ALA A 21 -2.363 -1.428 -1.819 1.00 0.00 H
ATOM 84 HB2 ALA A 21 -3.858 -1.689 -2.749 1.00 0.00 H
ATOM 85 HB3 ALA A 21 -3.835 -1.996 -0.996 1.00 0.00 H
ATOM 86 N GLU A 22 -0.523 -4.115 -1.918 1.00 0.00 N
ATOM 87 CA GLU A 22 0.668 -4.534 -1.199 1.00 0.00 C
ATOM 88 C GLU A 22 1.924 -4.146 -1.982 1.00 0.00 C
ATOM 89 O GLU A 22 1.889 -4.046 -3.207 1.00 0.00 O
ATOM 90 CB GLU A 22 0.639 -6.037 -0.918 1.00 0.00 C
ATOM 91 CG GLU A 22 1.010 -6.836 -2.169 1.00 0.00 C
ATOM 92 CD GLU A 22 -0.054 -7.891 -2.481 1.00 0.00 C
ATOM 93 OE1 GLU A 22 -1.110 -7.491 -3.017 1.00 0.00 O
ATOM 94 OE2 GLU A 22 0.214 -9.074 -2.177 1.00 0.00 O
ATOM 95 H GLU A 22 -0.398 -3.976 -2.900 1.00 0.00 H
ATOM 96 HA GLU A 22 0.640 -3.993 -0.253 1.00 0.00 H
ATOM 97 HB2 GLU A 22 1.334 -6.274 -0.112 1.00 0.00 H
ATOM 98 HB3 GLU A 22 -0.355 -6.328 -0.578 1.00 0.00 H
ATOM 99 HG2 GLU A 22 1.117 -6.160 -3.018 1.00 0.00 H
ATOM 100 HG3 GLU A 22 1.975 -7.320 -2.023 1.00 0.00 H
ATOM 101 N ASP A 23 3.003 -3.939 -1.242 1.00 0.00 N
ATOM 102 CA ASP A 23 4.268 -3.565 -1.852 1.00 0.00 C
ATOM 103 C ASP A 23 5.384 -4.444 -1.283 1.00 0.00 C
ATOM 104 O ASP A 23 5.845 -4.221 -0.165 1.00 0.00 O
ATOM 105 CB ASP A 23 4.615 -2.106 -1.550 1.00 0.00 C
ATOM 106 CG ASP A 23 5.991 -1.653 -2.042 1.00 0.00 C
ATOM 107 OD1 ASP A 23 6.158 -1.587 -3.279 1.00 0.00 O
ATOM 108 OD2 ASP A 23 6.845 -1.384 -1.170 1.00 0.00 O
ATOM 109 H ASP A 23 3.023 -4.023 -0.246 1.00 0.00 H
ATOM 110 HA ASP A 23 4.125 -3.714 -2.923 1.00 0.00 H
ATOM 111 HB2 ASP A 23 3.856 -1.467 -2.001 1.00 0.00 H
ATOM 112 HB3 ASP A 23 4.562 -1.952 -0.472 1.00 0.00 H
ATOM 113 N VAL A 24 5.784 -5.425 -2.079 1.00 0.00 N
ATOM 114 CA VAL A 24 6.837 -6.339 -1.668 1.00 0.00 C
ATOM 115 C VAL A 24 8.197 -5.672 -1.883 1.00 0.00 C
ATOM 116 O VAL A 24 8.513 -5.240 -2.991 1.00 0.00 O
ATOM 117 CB VAL A 24 6.698 -7.667 -2.414 1.00 0.00 C
ATOM 118 CG1 VAL A 24 7.835 -8.623 -2.049 1.00 0.00 C
ATOM 119 CG2 VAL A 24 5.335 -8.307 -2.144 1.00 0.00 C
ATOM 120 H VAL A 24 5.404 -5.600 -2.987 1.00 0.00 H
ATOM 121 HA VAL A 24 6.706 -6.534 -0.604 1.00 0.00 H
ATOM 122 HB VAL A 24 6.765 -7.460 -3.482 1.00 0.00 H
ATOM 123 HG11 VAL A 24 7.471 -9.365 -1.338 1.00 0.00 H
ATOM 124 HG12 VAL A 24 8.190 -9.126 -2.948 1.00 0.00 H
ATOM 125 HG13 VAL A 24 8.653 -8.060 -1.599 1.00 0.00 H
ATOM 126 HG21 VAL A 24 5.469 -9.213 -1.553 1.00 0.00 H
ATOM 127 HG22 VAL A 24 4.706 -7.605 -1.596 1.00 0.00 H
ATOM 128 HG23 VAL A 24 4.857 -8.559 -3.091 1.00 0.00 H
ATOM 129 N GLY A 25 8.967 -5.609 -0.806 1.00 0.00 N
ATOM 130 CA GLY A 25 10.286 -5.003 -0.863 1.00 0.00 C
ATOM 131 C GLY A 25 11.363 -5.990 -0.411 1.00 0.00 C
ATOM 132 O GLY A 25 11.488 -6.278 0.779 1.00 0.00 O
ATOM 133 H GLY A 25 8.702 -5.963 0.091 1.00 0.00 H
ATOM 134 HA2 GLY A 25 10.494 -4.672 -1.880 1.00 0.00 H
ATOM 135 HA3 GLY A 25 10.310 -4.117 -0.229 1.00 0.00 H
ATOM 136 N SER A 26 12.115 -6.483 -1.384 1.00 0.00 N
ATOM 137 CA SER A 26 13.178 -7.432 -1.102 1.00 0.00 C
ATOM 138 C SER A 26 14.525 -6.708 -1.043 1.00 0.00 C
ATOM 139 O SER A 26 15.125 -6.422 -2.078 1.00 0.00 O
ATOM 140 CB SER A 26 13.218 -8.543 -2.152 1.00 0.00 C
ATOM 141 OG SER A 26 14.047 -8.201 -3.260 1.00 0.00 O
ATOM 142 H SER A 26 12.008 -6.244 -2.349 1.00 0.00 H
ATOM 143 HA SER A 26 12.932 -7.861 -0.130 1.00 0.00 H
ATOM 144 HB2 SER A 26 13.586 -9.462 -1.695 1.00 0.00 H
ATOM 145 HB3 SER A 26 12.207 -8.745 -2.505 1.00 0.00 H
ATOM 146 HG SER A 26 15.010 -8.301 -3.010 1.00 0.00 H
ATOM 147 N ASN A 27 14.960 -6.433 0.178 1.00 0.00 N
ATOM 148 CA ASN A 27 16.224 -5.747 0.385 1.00 0.00 C
ATOM 149 C ASN A 27 16.146 -4.346 -0.224 1.00 0.00 C
ATOM 150 O ASN A 27 15.256 -4.063 -1.025 1.00 0.00 O
ATOM 151 CB ASN A 27 17.373 -6.495 -0.295 1.00 0.00 C
ATOM 152 CG ASN A 27 18.698 -6.236 0.426 1.00 0.00 C
ATOM 153 OD1 ASN A 27 18.741 -5.747 1.543 1.00 0.00 O
ATOM 154 ND2 ASN A 27 19.772 -6.590 -0.273 1.00 0.00 N
ATOM 155 H ASN A 27 14.465 -6.669 1.014 1.00 0.00 H
ATOM 156 HA ASN A 27 16.364 -5.725 1.466 1.00 0.00 H
ATOM 157 HB2 ASN A 27 17.162 -7.564 -0.303 1.00 0.00 H
ATOM 158 HB3 ASN A 27 17.453 -6.178 -1.335 1.00 0.00 H
ATOM 159 HD21 ASN A 27 19.667 -6.986 -1.185 1.00 0.00 H
ATOM 160 HD22 ASN A 27 20.685 -6.460 0.114 1.00 0.00 H
ATOM 161 N LYS A 28 17.088 -3.507 0.178 1.00 0.00 N
ATOM 162 CA LYS A 28 17.137 -2.142 -0.318 1.00 0.00 C
ATOM 163 C LYS A 28 15.841 -1.421 0.057 1.00 0.00 C
ATOM 164 O LYS A 28 14.769 -1.766 -0.439 1.00 0.00 O
ATOM 165 CB LYS A 28 17.437 -2.128 -1.818 1.00 0.00 C
ATOM 166 CG LYS A 28 18.915 -1.830 -2.079 1.00 0.00 C
ATOM 167 CD LYS A 28 19.189 -1.689 -3.578 1.00 0.00 C
ATOM 168 CE LYS A 28 20.147 -0.528 -3.853 1.00 0.00 C
ATOM 169 NZ LYS A 28 21.260 -0.969 -4.723 1.00 0.00 N
ATOM 170 H LYS A 28 17.808 -3.745 0.830 1.00 0.00 H
ATOM 171 HA LYS A 28 17.967 -1.642 0.181 1.00 0.00 H
ATOM 172 HB2 LYS A 28 17.174 -3.091 -2.255 1.00 0.00 H
ATOM 173 HB3 LYS A 28 16.818 -1.377 -2.310 1.00 0.00 H
ATOM 174 HG2 LYS A 28 19.200 -0.912 -1.566 1.00 0.00 H
ATOM 175 HG3 LYS A 28 19.529 -2.630 -1.667 1.00 0.00 H
ATOM 176 HD2 LYS A 28 19.616 -2.616 -3.962 1.00 0.00 H
ATOM 177 HD3 LYS A 28 18.252 -1.525 -4.109 1.00 0.00 H
ATOM 178 HE2 LYS A 28 19.608 0.291 -4.329 1.00 0.00 H
ATOM 179 HE3 LYS A 28 20.543 -0.145 -2.912 1.00 0.00 H
ATOM 180 HZ1 LYS A 28 20.959 -1.741 -5.283 1.00 0.00 H
ATOM 181 HZ2 LYS A 28 21.538 -0.214 -5.317 1.00 0.00 H
ATOM 182 HZ3 LYS A 28 22.035 -1.251 -4.156 1.00 0.00 H
ATOM 183 N GLY A 29 15.981 -0.434 0.929 1.00 0.00 N
ATOM 184 CA GLY A 29 14.834 0.339 1.376 1.00 0.00 C
ATOM 185 C GLY A 29 15.087 1.839 1.214 1.00 0.00 C
ATOM 186 O GLY A 29 14.263 2.553 0.646 1.00 0.00 O
ATOM 187 H GLY A 29 16.856 -0.160 1.327 1.00 0.00 H
ATOM 188 HA2 GLY A 29 13.952 0.051 0.803 1.00 0.00 H
ATOM 189 HA3 GLY A 29 14.624 0.112 2.421 1.00 0.00 H
ATOM 190 N ALA A 30 16.231 2.272 1.724 1.00 0.00 N
ATOM 191 CA ALA A 30 16.602 3.675 1.643 1.00 0.00 C
ATOM 192 C ALA A 30 15.381 4.541 1.957 1.00 0.00 C
ATOM 193 O ALA A 30 14.535 4.158 2.764 1.00 0.00 O
ATOM 194 CB ALA A 30 17.186 3.969 0.260 1.00 0.00 C
ATOM 195 H ALA A 30 16.896 1.685 2.184 1.00 0.00 H
ATOM 196 HA ALA A 30 17.371 3.858 2.394 1.00 0.00 H
ATOM 197 HB1 ALA A 30 16.395 3.910 -0.488 1.00 0.00 H
ATOM 198 HB2 ALA A 30 17.618 4.970 0.253 1.00 0.00 H
ATOM 199 HB3 ALA A 30 17.960 3.238 0.028 1.00 0.00 H
ATOM 200 N ILE A 31 15.327 5.691 1.303 1.00 0.00 N
ATOM 201 CA ILE A 31 14.223 6.615 1.502 1.00 0.00 C
ATOM 202 C ILE A 31 12.992 6.100 0.754 1.00 0.00 C
ATOM 203 O ILE A 31 12.929 6.179 -0.472 1.00 0.00 O
ATOM 204 CB ILE A 31 14.634 8.035 1.107 1.00 0.00 C
ATOM 205 CG1 ILE A 31 15.942 8.437 1.792 1.00 0.00 C
ATOM 206 CG2 ILE A 31 13.508 9.031 1.392 1.00 0.00 C
ATOM 207 CD1 ILE A 31 16.956 8.960 0.772 1.00 0.00 C
ATOM 208 H ILE A 31 16.019 5.995 0.648 1.00 0.00 H
ATOM 209 HA ILE A 31 13.998 6.629 2.569 1.00 0.00 H
ATOM 210 HB ILE A 31 14.815 8.051 0.033 1.00 0.00 H
ATOM 211 HG12 ILE A 31 15.744 9.205 2.539 1.00 0.00 H
ATOM 212 HG13 ILE A 31 16.360 7.580 2.319 1.00 0.00 H
ATOM 213 HG21 ILE A 31 13.651 9.469 2.380 1.00 0.00 H
ATOM 214 HG22 ILE A 31 13.521 9.819 0.639 1.00 0.00 H
ATOM 215 HG23 ILE A 31 12.549 8.514 1.359 1.00 0.00 H
ATOM 216 HD11 ILE A 31 17.243 8.152 0.099 1.00 0.00 H
ATOM 217 HD12 ILE A 31 16.509 9.770 0.197 1.00 0.00 H
ATOM 218 HD13 ILE A 31 17.839 9.329 1.294 1.00 0.00 H
ATOM 219 N ILE A 32 12.044 5.585 1.523 1.00 0.00 N
ATOM 220 CA ILE A 32 10.818 5.058 0.948 1.00 0.00 C
ATOM 221 C ILE A 32 9.617 5.658 1.680 1.00 0.00 C
ATOM 222 O ILE A 32 9.660 5.853 2.894 1.00 0.00 O
ATOM 223 CB ILE A 32 10.839 3.528 0.951 1.00 0.00 C
ATOM 224 CG1 ILE A 32 9.617 2.961 0.227 1.00 0.00 C
ATOM 225 CG2 ILE A 32 10.964 2.985 2.376 1.00 0.00 C
ATOM 226 CD1 ILE A 32 8.406 2.901 1.159 1.00 0.00 C
ATOM 227 H ILE A 32 12.103 5.525 2.519 1.00 0.00 H
ATOM 228 HA ILE A 32 10.782 5.377 -0.094 1.00 0.00 H
ATOM 229 HB ILE A 32 11.721 3.197 0.402 1.00 0.00 H
ATOM 230 HG12 ILE A 32 9.383 3.580 -0.639 1.00 0.00 H
ATOM 231 HG13 ILE A 32 9.842 1.962 -0.147 1.00 0.00 H
ATOM 232 HG21 ILE A 32 10.423 2.042 2.454 1.00 0.00 H
ATOM 233 HG22 ILE A 32 12.016 2.821 2.611 1.00 0.00 H
ATOM 234 HG23 ILE A 32 10.543 3.705 3.078 1.00 0.00 H
ATOM 235 HD11 ILE A 32 8.184 1.861 1.400 1.00 0.00 H
ATOM 236 HD12 ILE A 32 8.626 3.447 2.077 1.00 0.00 H
ATOM 237 HD13 ILE A 32 7.545 3.352 0.666 1.00 0.00 H
ATOM 238 N GLY A 33 8.573 5.933 0.912 1.00 0.00 N
ATOM 239 CA GLY A 33 7.361 6.507 1.474 1.00 0.00 C
ATOM 240 C GLY A 33 6.133 5.683 1.083 1.00 0.00 C
ATOM 241 O GLY A 33 5.704 5.710 -0.069 1.00 0.00 O
ATOM 242 H GLY A 33 8.546 5.771 -0.074 1.00 0.00 H
ATOM 243 HA2 GLY A 33 7.445 6.550 2.560 1.00 0.00 H
ATOM 244 HA3 GLY A 33 7.244 7.532 1.122 1.00 0.00 H
ATOM 245 N LEU A 34 5.601 4.971 2.065 1.00 0.00 N
ATOM 246 CA LEU A 34 4.430 4.141 1.839 1.00 0.00 C
ATOM 247 C LEU A 34 3.192 4.853 2.388 1.00 0.00 C
ATOM 248 O LEU A 34 2.859 4.709 3.564 1.00 0.00 O
ATOM 249 CB LEU A 34 4.644 2.742 2.420 1.00 0.00 C
ATOM 250 CG LEU A 34 3.730 1.642 1.876 1.00 0.00 C
ATOM 251 CD1 LEU A 34 2.392 2.221 1.411 1.00 0.00 C
ATOM 252 CD2 LEU A 34 4.427 0.849 0.768 1.00 0.00 C
ATOM 253 H LEU A 34 5.956 4.955 3.000 1.00 0.00 H
ATOM 254 HA LEU A 34 4.313 4.028 0.761 1.00 0.00 H
ATOM 255 HB2 LEU A 34 5.678 2.450 2.241 1.00 0.00 H
ATOM 256 HB3 LEU A 34 4.511 2.795 3.501 1.00 0.00 H
ATOM 257 HG LEU A 34 3.515 0.945 2.685 1.00 0.00 H
ATOM 258 HD11 LEU A 34 2.572 3.017 0.688 1.00 0.00 H
ATOM 259 HD12 LEU A 34 1.799 1.435 0.945 1.00 0.00 H
ATOM 260 HD13 LEU A 34 1.853 2.624 2.268 1.00 0.00 H
ATOM 261 HD21 LEU A 34 3.678 0.396 0.119 1.00 0.00 H
ATOM 262 HD22 LEU A 34 5.058 1.519 0.183 1.00 0.00 H
ATOM 263 HD23 LEU A 34 5.043 0.068 1.214 1.00 0.00 H
ATOM 264 N MET A 35 2.543 5.605 1.512 1.00 0.00 N
ATOM 265 CA MET A 35 1.349 6.339 1.894 1.00 0.00 C
ATOM 266 C MET A 35 0.092 5.673 1.331 1.00 0.00 C
ATOM 267 O MET A 35 -0.066 5.564 0.116 1.00 0.00 O
ATOM 268 CB MET A 35 1.443 7.775 1.374 1.00 0.00 C
ATOM 269 CG MET A 35 2.468 8.581 2.174 1.00 0.00 C
ATOM 270 SD MET A 35 2.930 10.050 1.270 1.00 0.00 S
ATOM 271 CE MET A 35 4.707 9.893 1.310 1.00 0.00 C
ATOM 272 H MET A 35 2.820 5.716 0.557 1.00 0.00 H
ATOM 273 HA MET A 35 1.325 6.312 2.984 1.00 0.00 H
ATOM 274 HB2 MET A 35 1.724 7.766 0.321 1.00 0.00 H
ATOM 275 HB3 MET A 35 0.467 8.254 1.439 1.00 0.00 H
ATOM 276 HG2 MET A 35 2.051 8.857 3.142 1.00 0.00 H
ATOM 277 HG3 MET A 35 3.351 7.972 2.369 1.00 0.00 H
ATOM 278 HE1 MET A 35 5.159 10.748 0.808 1.00 0.00 H
ATOM 279 HE2 MET A 35 5.046 9.859 2.346 1.00 0.00 H
ATOM 280 HE3 MET A 35 5.003 8.975 0.801 1.00 0.00 H
ATOM 281 N VAL A 36 -0.771 5.246 2.241 1.00 0.00 N
ATOM 282 CA VAL A 36 -2.010 4.594 1.850 1.00 0.00 C
ATOM 283 C VAL A 36 -3.190 5.319 2.499 1.00 0.00 C
ATOM 284 O VAL A 36 -3.107 5.738 3.653 1.00 0.00 O
ATOM 285 CB VAL A 36 -1.953 3.107 2.204 1.00 0.00 C
ATOM 286 CG1 VAL A 36 -1.217 2.887 3.528 1.00 0.00 C
ATOM 287 CG2 VAL A 36 -3.356 2.500 2.249 1.00 0.00 C
ATOM 288 H VAL A 36 -0.636 5.339 3.227 1.00 0.00 H
ATOM 289 HA VAL A 36 -2.099 4.679 0.767 1.00 0.00 H
ATOM 290 HB VAL A 36 -1.392 2.597 1.421 1.00 0.00 H
ATOM 291 HG11 VAL A 36 -1.794 3.327 4.342 1.00 0.00 H
ATOM 292 HG12 VAL A 36 -1.098 1.818 3.704 1.00 0.00 H
ATOM 293 HG13 VAL A 36 -0.236 3.359 3.481 1.00 0.00 H
ATOM 294 HG21 VAL A 36 -3.869 2.700 1.309 1.00 0.00 H
ATOM 295 HG22 VAL A 36 -3.282 1.423 2.400 1.00 0.00 H
ATOM 296 HG23 VAL A 36 -3.918 2.943 3.071 1.00 0.00 H
ATOM 297 N GLY A 37 -4.262 5.444 1.731 1.00 0.00 N
ATOM 298 CA GLY A 37 -5.458 6.112 2.217 1.00 0.00 C
ATOM 299 C GLY A 37 -6.697 5.242 2.000 1.00 0.00 C
ATOM 300 O GLY A 37 -7.077 4.969 0.863 1.00 0.00 O
ATOM 301 H GLY A 37 -4.321 5.101 0.794 1.00 0.00 H
ATOM 302 HA2 GLY A 37 -5.347 6.335 3.278 1.00 0.00 H
ATOM 303 HA3 GLY A 37 -5.582 7.064 1.702 1.00 0.00 H
ATOM 304 N GLY A 38 -7.294 4.830 3.109 1.00 0.00 N
ATOM 305 CA GLY A 38 -8.483 3.997 3.055 1.00 0.00 C
ATOM 306 C GLY A 38 -9.728 4.791 3.456 1.00 0.00 C
ATOM 307 O GLY A 38 -9.851 5.221 4.602 1.00 0.00 O
ATOM 308 H GLY A 38 -6.978 5.056 4.031 1.00 0.00 H
ATOM 309 HA2 GLY A 38 -8.609 3.602 2.047 1.00 0.00 H
ATOM 310 HA3 GLY A 38 -8.363 3.141 3.720 1.00 0.00 H
ATOM 311 N VAL A 39 -10.619 4.960 2.491 1.00 0.00 N
ATOM 312 CA VAL A 39 -11.850 5.695 2.729 1.00 0.00 C
ATOM 313 C VAL A 39 -13.043 4.830 2.315 1.00 0.00 C
ATOM 314 O VAL A 39 -13.459 4.854 1.158 1.00 0.00 O
ATOM 315 CB VAL A 39 -11.806 7.040 2.003 1.00 0.00 C
ATOM 316 CG1 VAL A 39 -12.952 7.946 2.456 1.00 0.00 C
ATOM 317 CG2 VAL A 39 -10.453 7.726 2.202 1.00 0.00 C
ATOM 318 H VAL A 39 -10.511 4.607 1.562 1.00 0.00 H
ATOM 319 HA VAL A 39 -11.914 5.891 3.800 1.00 0.00 H
ATOM 320 HB VAL A 39 -11.931 6.849 0.937 1.00 0.00 H
ATOM 321 HG11 VAL A 39 -12.644 8.508 3.338 1.00 0.00 H
ATOM 322 HG12 VAL A 39 -13.206 8.639 1.654 1.00 0.00 H
ATOM 323 HG13 VAL A 39 -13.823 7.337 2.699 1.00 0.00 H
ATOM 324 HG21 VAL A 39 -9.955 7.302 3.074 1.00 0.00 H
ATOM 325 HG22 VAL A 39 -9.833 7.571 1.318 1.00 0.00 H
ATOM 326 HG23 VAL A 39 -10.606 8.795 2.354 1.00 0.00 H
ATOM 327 N VAL A 40 -13.559 4.088 3.284 1.00 0.00 N
ATOM 328 CA VAL A 40 -14.696 3.218 3.034 1.00 0.00 C
ATOM 329 C VAL A 40 -15.971 3.892 3.544 1.00 0.00 C
ATOM 330 O VAL A 40 -16.228 3.912 4.746 1.00 0.00 O
ATOM 331 CB VAL A 40 -14.452 1.845 3.665 1.00 0.00 C
ATOM 332 CG1 VAL A 40 -15.725 0.996 3.639 1.00 0.00 C
ATOM 333 CG2 VAL A 40 -13.296 1.121 2.974 1.00 0.00 C
ATOM 334 H VAL A 40 -13.214 4.074 4.222 1.00 0.00 H
ATOM 335 HA VAL A 40 -14.777 3.083 1.956 1.00 0.00 H
ATOM 336 HB VAL A 40 -14.175 2.000 4.708 1.00 0.00 H
ATOM 337 HG11 VAL A 40 -15.462 -0.056 3.741 1.00 0.00 H
ATOM 338 HG12 VAL A 40 -16.375 1.290 4.464 1.00 0.00 H
ATOM 339 HG13 VAL A 40 -16.245 1.151 2.694 1.00 0.00 H
ATOM 340 HG21 VAL A 40 -12.404 1.181 3.598 1.00 0.00 H
ATOM 341 HG22 VAL A 40 -13.562 0.075 2.820 1.00 0.00 H
ATOM 342 HG23 VAL A 40 -13.097 1.590 2.010 1.00 0.00 H
ATOM 343 N ILE A 41 -16.734 4.429 2.604 1.00 0.00 N
ATOM 344 CA ILE A 41 -17.976 5.103 2.943 1.00 0.00 C
ATOM 345 C ILE A 41 -19.149 4.346 2.317 1.00 0.00 C
ATOM 346 O ILE A 41 -19.280 4.298 1.095 1.00 0.00 O
ATOM 347 CB ILE A 41 -17.912 6.578 2.542 1.00 0.00 C
ATOM 348 CG1 ILE A 41 -16.779 7.297 3.277 1.00 0.00 C
ATOM 349 CG2 ILE A 41 -19.262 7.265 2.758 1.00 0.00 C
ATOM 350 CD1 ILE A 41 -16.518 8.676 2.668 1.00 0.00 C
ATOM 351 H ILE A 41 -16.517 4.408 1.628 1.00 0.00 H
ATOM 352 HA ILE A 41 -18.082 5.068 4.027 1.00 0.00 H
ATOM 353 HB ILE A 41 -17.690 6.633 1.476 1.00 0.00 H
ATOM 354 HG12 ILE A 41 -17.034 7.404 4.331 1.00 0.00 H
ATOM 355 HG13 ILE A 41 -15.870 6.697 3.228 1.00 0.00 H
ATOM 356 HG21 ILE A 41 -20.058 6.632 2.366 1.00 0.00 H
ATOM 357 HG22 ILE A 41 -19.420 7.428 3.824 1.00 0.00 H
ATOM 358 HG23 ILE A 41 -19.270 8.223 2.239 1.00 0.00 H
ATOM 359 HD11 ILE A 41 -15.687 9.152 3.188 1.00 0.00 H
ATOM 360 HD12 ILE A 41 -16.271 8.566 1.612 1.00 0.00 H
ATOM 361 HD13 ILE A 41 -17.411 9.293 2.769 1.00 0.00 H
ATOM 362 N ALA A 42 -19.973 3.775 3.183 1.00 0.00 N
ATOM 363 CA ALA A 42 -21.131 3.023 2.730 1.00 0.00 C
ATOM 364 C ALA A 42 -22.344 3.401 3.583 1.00 0.00 C
ATOM 365 O ALA A 42 -22.656 2.722 4.560 1.00 0.00 O
ATOM 366 CB ALA A 42 -20.822 1.525 2.787 1.00 0.00 C
ATOM 367 H ALA A 42 -19.859 3.819 4.175 1.00 0.00 H
ATOM 368 HA ALA A 42 -21.324 3.302 1.694 1.00 0.00 H
ATOM 369 HB1 ALA A 42 -21.624 1.009 3.314 1.00 0.00 H
ATOM 370 HB2 ALA A 42 -20.741 1.132 1.774 1.00 0.00 H
ATOM 371 HB3 ALA A 42 -19.881 1.369 3.315 1.00 0.00 H
TER 372 ALA A 42
ATOM 373 N LEU B 17 -15.873 -7.040 -8.510 1.00 0.00 N
ATOM 374 CA LEU B 17 -15.576 -5.797 -7.820 1.00 0.00 C
ATOM 375 C LEU B 17 -14.395 -6.014 -6.872 1.00 0.00 C
ATOM 376 O LEU B 17 -14.586 -6.228 -5.676 1.00 0.00 O
ATOM 377 CB LEU B 17 -16.828 -5.255 -7.128 1.00 0.00 C
ATOM 378 CG LEU B 17 -18.077 -5.129 -8.004 1.00 0.00 C
ATOM 379 CD1 LEU B 17 -19.180 -6.075 -7.526 1.00 0.00 C
ATOM 380 CD2 LEU B 17 -18.555 -3.677 -8.070 1.00 0.00 C
ATOM 381 H LEU B 17 -15.739 -7.016 -9.501 1.00 0.00 H
ATOM 382 HA LEU B 17 -15.283 -5.066 -8.575 1.00 0.00 H
ATOM 383 HB2 LEU B 17 -17.064 -5.906 -6.286 1.00 0.00 H
ATOM 384 HB3 LEU B 17 -16.596 -4.273 -6.717 1.00 0.00 H
ATOM 385 HG LEU B 17 -17.814 -5.428 -9.019 1.00 0.00 H
ATOM 386 HD11 LEU B 17 -19.548 -5.742 -6.555 1.00 0.00 H
ATOM 387 HD12 LEU B 17 -19.999 -6.070 -8.246 1.00 0.00 H
ATOM 388 HD13 LEU B 17 -18.780 -7.084 -7.437 1.00 0.00 H
ATOM 389 HD21 LEU B 17 -17.954 -3.129 -8.796 1.00 0.00 H
ATOM 390 HD22 LEU B 17 -19.602 -3.653 -8.374 1.00 0.00 H
ATOM 391 HD23 LEU B 17 -18.450 -3.215 -7.089 1.00 0.00 H
ATOM 392 N VAL B 18 -13.200 -5.952 -7.442 1.00 0.00 N
ATOM 393 CA VAL B 18 -11.989 -6.139 -6.662 1.00 0.00 C
ATOM 394 C VAL B 18 -10.924 -5.148 -7.135 1.00 0.00 C
ATOM 395 O VAL B 18 -10.922 -4.741 -8.296 1.00 0.00 O
ATOM 396 CB VAL B 18 -11.530 -7.596 -6.750 1.00 0.00 C
ATOM 397 CG1 VAL B 18 -12.702 -8.555 -6.533 1.00 0.00 C
ATOM 398 CG2 VAL B 18 -10.836 -7.873 -8.085 1.00 0.00 C
ATOM 399 H VAL B 18 -13.054 -5.778 -8.415 1.00 0.00 H
ATOM 400 HA VAL B 18 -12.231 -5.924 -5.621 1.00 0.00 H
ATOM 401 HB VAL B 18 -10.805 -7.768 -5.954 1.00 0.00 H
ATOM 402 HG11 VAL B 18 -12.331 -9.499 -6.136 1.00 0.00 H
ATOM 403 HG12 VAL B 18 -13.405 -8.114 -5.825 1.00 0.00 H
ATOM 404 HG13 VAL B 18 -13.207 -8.733 -7.483 1.00 0.00 H
ATOM 405 HG21 VAL B 18 -11.485 -7.561 -8.904 1.00 0.00 H
ATOM 406 HG22 VAL B 18 -9.900 -7.315 -8.131 1.00 0.00 H
ATOM 407 HG23 VAL B 18 -10.628 -8.939 -8.173 1.00 0.00 H
ATOM 408 N PHE B 19 -10.045 -4.787 -6.212 1.00 0.00 N
ATOM 409 CA PHE B 19 -8.977 -3.851 -6.521 1.00 0.00 C
ATOM 410 C PHE B 19 -7.620 -4.402 -6.079 1.00 0.00 C
ATOM 411 O PHE B 19 -7.286 -4.364 -4.895 1.00 0.00 O
ATOM 412 CB PHE B 19 -9.271 -2.566 -5.744 1.00 0.00 C
ATOM 413 CG PHE B 19 -9.270 -1.303 -6.607 1.00 0.00 C
ATOM 414 CD1 PHE B 19 -8.093 -0.763 -7.022 1.00 0.00 C
ATOM 415 CD2 PHE B 19 -10.447 -0.720 -6.959 1.00 0.00 C
ATOM 416 CE1 PHE B 19 -8.092 0.409 -7.823 1.00 0.00 C
ATOM 417 CE2 PHE B 19 -10.447 0.453 -7.760 1.00 0.00 C
ATOM 418 CZ PHE B 19 -9.269 0.992 -8.175 1.00 0.00 C
ATOM 419 H PHE B 19 -10.053 -5.123 -5.270 1.00 0.00 H
ATOM 420 HA PHE B 19 -8.975 -3.708 -7.601 1.00 0.00 H
ATOM 421 HB2 PHE B 19 -10.242 -2.661 -5.258 1.00 0.00 H
ATOM 422 HB3 PHE B 19 -8.528 -2.454 -4.953 1.00 0.00 H
ATOM 423 HD1 PHE B 19 -7.150 -1.231 -6.739 1.00 0.00 H
ATOM 424 HD2 PHE B 19 -11.391 -1.152 -6.627 1.00 0.00 H
ATOM 425 HE1 PHE B 19 -7.149 0.842 -8.155 1.00 0.00 H
ATOM 426 HE2 PHE B 19 -11.390 0.920 -8.043 1.00 0.00 H
ATOM 427 HZ PHE B 19 -9.269 1.892 -8.790 1.00 0.00 H
ATOM 428 N PHE B 20 -6.874 -4.900 -7.053 1.00 0.00 N
ATOM 429 CA PHE B 20 -5.560 -5.458 -6.779 1.00 0.00 C
ATOM 430 C PHE B 20 -4.454 -4.489 -7.201 1.00 0.00 C
ATOM 431 O PHE B 20 -4.410 -4.054 -8.351 1.00 0.00 O
ATOM 432 CB PHE B 20 -5.439 -6.742 -7.603 1.00 0.00 C
ATOM 433 CG PHE B 20 -5.635 -8.023 -6.790 1.00 0.00 C
ATOM 434 CD1 PHE B 20 -6.889 -8.498 -6.562 1.00 0.00 C
ATOM 435 CD2 PHE B 20 -4.556 -8.688 -6.297 1.00 0.00 C
ATOM 436 CE1 PHE B 20 -7.072 -9.687 -5.807 1.00 0.00 C
ATOM 437 CE2 PHE B 20 -4.739 -9.877 -5.543 1.00 0.00 C
ATOM 438 CZ PHE B 20 -5.993 -10.352 -5.314 1.00 0.00 C
ATOM 439 H PHE B 20 -7.152 -4.927 -8.013 1.00 0.00 H
ATOM 440 HA PHE B 20 -5.499 -5.630 -5.705 1.00 0.00 H
ATOM 441 HB2 PHE B 20 -6.174 -6.717 -8.406 1.00 0.00 H
ATOM 442 HB3 PHE B 20 -4.455 -6.769 -8.072 1.00 0.00 H
ATOM 443 HD1 PHE B 20 -7.754 -7.965 -6.957 1.00 0.00 H
ATOM 444 HD2 PHE B 20 -3.551 -8.308 -6.480 1.00 0.00 H
ATOM 445 HE1 PHE B 20 -8.077 -10.067 -5.624 1.00 0.00 H
ATOM 446 HE2 PHE B 20 -3.874 -10.410 -5.147 1.00 0.00 H
ATOM 447 HZ PHE B 20 -6.133 -11.265 -4.735 1.00 0.00 H
ATOM 448 N ALA B 21 -3.587 -4.179 -6.248 1.00 0.00 N
ATOM 449 CA ALA B 21 -2.484 -3.269 -6.507 1.00 0.00 C
ATOM 450 C ALA B 21 -1.236 -3.766 -5.775 1.00 0.00 C
ATOM 451 O ALA B 21 -0.927 -3.299 -4.680 1.00 0.00 O
ATOM 452 CB ALA B 21 -2.881 -1.852 -6.086 1.00 0.00 C
ATOM 453 H ALA B 21 -3.630 -4.537 -5.316 1.00 0.00 H
ATOM 454 HA ALA B 21 -2.293 -3.276 -7.580 1.00 0.00 H
ATOM 455 HB1 ALA B 21 -3.967 -1.781 -6.030 1.00 0.00 H
ATOM 456 HB2 ALA B 21 -2.452 -1.630 -5.109 1.00 0.00 H
ATOM 457 HB3 ALA B 21 -2.507 -1.137 -6.819 1.00 0.00 H
ATOM 458 N GLU B 22 -0.553 -4.708 -6.409 1.00 0.00 N
ATOM 459 CA GLU B 22 0.654 -5.274 -5.832 1.00 0.00 C
ATOM 460 C GLU B 22 1.890 -4.747 -6.564 1.00 0.00 C
ATOM 461 O GLU B 22 1.868 -4.577 -7.782 1.00 0.00 O
ATOM 462 CB GLU B 22 0.611 -6.803 -5.860 1.00 0.00 C
ATOM 463 CG GLU B 22 0.866 -7.333 -7.273 1.00 0.00 C
ATOM 464 CD GLU B 22 0.645 -8.846 -7.339 1.00 0.00 C
ATOM 465 OE1 GLU B 22 1.372 -9.558 -6.613 1.00 0.00 O
ATOM 466 OE2 GLU B 22 -0.246 -9.255 -8.114 1.00 0.00 O
ATOM 467 H GLU B 22 -0.812 -5.083 -7.299 1.00 0.00 H
ATOM 468 HA GLU B 22 0.666 -4.936 -4.796 1.00 0.00 H
ATOM 469 HB2 GLU B 22 1.359 -7.204 -5.176 1.00 0.00 H
ATOM 470 HB3 GLU B 22 -0.361 -7.149 -5.508 1.00 0.00 H
ATOM 471 HG2 GLU B 22 0.202 -6.834 -7.978 1.00 0.00 H
ATOM 472 HG3 GLU B 22 1.887 -7.097 -7.574 1.00 0.00 H
ATOM 473 N ASP B 23 2.938 -4.504 -5.791 1.00 0.00 N
ATOM 474 CA ASP B 23 4.180 -4.000 -6.351 1.00 0.00 C
ATOM 475 C ASP B 23 5.340 -4.881 -5.882 1.00 0.00 C
ATOM 476 O ASP B 23 5.814 -4.742 -4.755 1.00 0.00 O
ATOM 477 CB ASP B 23 4.454 -2.569 -5.883 1.00 0.00 C
ATOM 478 CG ASP B 23 5.859 -2.046 -6.190 1.00 0.00 C
ATOM 479 OD1 ASP B 23 6.590 -2.768 -6.903 1.00 0.00 O
ATOM 480 OD2 ASP B 23 6.171 -0.937 -5.705 1.00 0.00 O
ATOM 481 H ASP B 23 2.947 -4.645 -4.801 1.00 0.00 H
ATOM 482 HA ASP B 23 4.042 -4.033 -7.431 1.00 0.00 H
ATOM 483 HB2 ASP B 23 3.726 -1.905 -6.349 1.00 0.00 H
ATOM 484 HB3 ASP B 23 4.291 -2.516 -4.807 1.00 0.00 H
ATOM 485 N VAL B 24 5.764 -5.768 -6.770 1.00 0.00 N
ATOM 486 CA VAL B 24 6.859 -6.671 -6.462 1.00 0.00 C
ATOM 487 C VAL B 24 8.189 -5.939 -6.656 1.00 0.00 C
ATOM 488 O VAL B 24 8.827 -6.071 -7.699 1.00 0.00 O
ATOM 489 CB VAL B 24 6.746 -7.940 -7.309 1.00 0.00 C
ATOM 490 CG1 VAL B 24 7.883 -8.913 -6.994 1.00 0.00 C
ATOM 491 CG2 VAL B 24 5.383 -8.608 -7.116 1.00 0.00 C
ATOM 492 H VAL B 24 5.373 -5.874 -7.685 1.00 0.00 H
ATOM 493 HA VAL B 24 6.766 -6.955 -5.414 1.00 0.00 H
ATOM 494 HB VAL B 24 6.832 -7.652 -8.357 1.00 0.00 H
ATOM 495 HG11 VAL B 24 8.820 -8.516 -7.384 1.00 0.00 H
ATOM 496 HG12 VAL B 24 7.964 -9.040 -5.914 1.00 0.00 H
ATOM 497 HG13 VAL B 24 7.676 -9.877 -7.459 1.00 0.00 H
ATOM 498 HG21 VAL B 24 5.141 -9.201 -7.998 1.00 0.00 H
ATOM 499 HG22 VAL B 24 5.417 -9.256 -6.241 1.00 0.00 H
ATOM 500 HG23 VAL B 24 4.620 -7.843 -6.972 1.00 0.00 H
ATOM 501 N GLY B 25 8.566 -5.182 -5.636 1.00 0.00 N
ATOM 502 CA GLY B 25 9.808 -4.429 -5.682 1.00 0.00 C
ATOM 503 C GLY B 25 10.962 -5.239 -5.088 1.00 0.00 C
ATOM 504 O GLY B 25 11.039 -5.418 -3.874 1.00 0.00 O
ATOM 505 H GLY B 25 8.041 -5.080 -4.792 1.00 0.00 H
ATOM 506 HA2 GLY B 25 10.038 -4.164 -6.714 1.00 0.00 H
ATOM 507 HA3 GLY B 25 9.692 -3.496 -5.131 1.00 0.00 H
ATOM 508 N SER B 26 11.832 -5.705 -5.972 1.00 0.00 N
ATOM 509 CA SER B 26 12.979 -6.491 -5.550 1.00 0.00 C
ATOM 510 C SER B 26 14.231 -5.612 -5.513 1.00 0.00 C
ATOM 511 O SER B 26 14.725 -5.184 -6.555 1.00 0.00 O
ATOM 512 CB SER B 26 13.198 -7.688 -6.478 1.00 0.00 C
ATOM 513 OG SER B 26 14.417 -8.368 -6.193 1.00 0.00 O
ATOM 514 H SER B 26 11.763 -5.555 -6.958 1.00 0.00 H
ATOM 515 HA SER B 26 12.732 -6.848 -4.550 1.00 0.00 H
ATOM 516 HB2 SER B 26 12.364 -8.382 -6.378 1.00 0.00 H
ATOM 517 HB3 SER B 26 13.207 -7.347 -7.514 1.00 0.00 H
ATOM 518 HG SER B 26 14.228 -9.316 -5.937 1.00 0.00 H
ATOM 519 N ASN B 27 14.708 -5.369 -4.301 1.00 0.00 N
ATOM 520 CA ASN B 27 15.893 -4.548 -4.114 1.00 0.00 C
ATOM 521 C ASN B 27 15.611 -3.132 -4.619 1.00 0.00 C
ATOM 522 O ASN B 27 16.165 -2.708 -5.632 1.00 0.00 O
ATOM 523 CB ASN B 27 17.078 -5.105 -4.905 1.00 0.00 C
ATOM 524 CG ASN B 27 17.454 -6.506 -4.416 1.00 0.00 C
ATOM 525 OD1 ASN B 27 16.852 -7.501 -4.784 1.00 0.00 O
ATOM 526 ND2 ASN B 27 18.480 -6.526 -3.570 1.00 0.00 N
ATOM 527 H ASN B 27 14.300 -5.720 -3.458 1.00 0.00 H
ATOM 528 HA ASN B 27 16.095 -4.577 -3.044 1.00 0.00 H
ATOM 529 HB2 ASN B 27 16.829 -5.140 -5.965 1.00 0.00 H
ATOM 530 HB3 ASN B 27 17.934 -4.438 -4.801 1.00 0.00 H
ATOM 531 HD21 ASN B 27 18.930 -5.673 -3.310 1.00 0.00 H
ATOM 532 HD22 ASN B 27 18.801 -7.396 -3.195 1.00 0.00 H
ATOM 533 N LYS B 28 14.751 -2.438 -3.889 1.00 0.00 N
ATOM 534 CA LYS B 28 14.389 -1.077 -4.250 1.00 0.00 C
ATOM 535 C LYS B 28 15.560 -0.143 -3.937 1.00 0.00 C
ATOM 536 O LYS B 28 16.479 -0.003 -4.743 1.00 0.00 O
ATOM 537 CB LYS B 28 13.080 -0.672 -3.569 1.00 0.00 C
ATOM 538 CG LYS B 28 11.900 -1.463 -4.135 1.00 0.00 C
ATOM 539 CD LYS B 28 10.951 -1.907 -3.020 1.00 0.00 C
ATOM 540 CE LYS B 28 9.498 -1.586 -3.376 1.00 0.00 C
ATOM 541 NZ LYS B 28 8.579 -2.529 -2.700 1.00 0.00 N
ATOM 542 H LYS B 28 14.305 -2.789 -3.066 1.00 0.00 H
ATOM 543 HA LYS B 28 14.211 -1.061 -5.325 1.00 0.00 H
ATOM 544 HB2 LYS B 28 13.156 -0.844 -2.495 1.00 0.00 H
ATOM 545 HB3 LYS B 28 12.909 0.395 -3.709 1.00 0.00 H
ATOM 546 HG2 LYS B 28 11.358 -0.850 -4.855 1.00 0.00 H
ATOM 547 HG3 LYS B 28 12.267 -2.337 -4.674 1.00 0.00 H
ATOM 548 HD2 LYS B 28 11.060 -2.978 -2.849 1.00 0.00 H
ATOM 549 HD3 LYS B 28 11.220 -1.407 -2.089 1.00 0.00 H
ATOM 550 HE2 LYS B 28 9.262 -0.564 -3.081 1.00 0.00 H
ATOM 551 HE3 LYS B 28 9.361 -1.646 -4.456 1.00 0.00 H
ATOM 552 HZ1 LYS B 28 8.340 -2.172 -1.797 1.00 0.00 H
ATOM 553 HZ2 LYS B 28 7.748 -2.634 -3.247 1.00 0.00 H
ATOM 554 HZ3 LYS B 28 9.027 -3.418 -2.600 1.00 0.00 H
ATOM 555 N GLY B 29 15.489 0.471 -2.766 1.00 0.00 N
ATOM 556 CA GLY B 29 16.531 1.388 -2.337 1.00 0.00 C
ATOM 557 C GLY B 29 16.362 2.758 -2.997 1.00 0.00 C
ATOM 558 O GLY B 29 15.476 2.945 -3.829 1.00 0.00 O
ATOM 559 H GLY B 29 14.738 0.351 -2.116 1.00 0.00 H
ATOM 560 HA2 GLY B 29 16.501 1.497 -1.253 1.00 0.00 H
ATOM 561 HA3 GLY B 29 17.508 0.977 -2.589 1.00 0.00 H
ATOM 562 N ALA B 30 17.226 3.681 -2.600 1.00 0.00 N
ATOM 563 CA ALA B 30 17.183 5.028 -3.143 1.00 0.00 C
ATOM 564 C ALA B 30 15.870 5.698 -2.731 1.00 0.00 C
ATOM 565 O ALA B 30 15.375 5.475 -1.628 1.00 0.00 O
ATOM 566 CB ALA B 30 17.358 4.973 -4.662 1.00 0.00 C
ATOM 567 H ALA B 30 17.943 3.521 -1.923 1.00 0.00 H
ATOM 568 HA ALA B 30 18.016 5.586 -2.713 1.00 0.00 H
ATOM 569 HB1 ALA B 30 17.501 5.982 -5.048 1.00 0.00 H
ATOM 570 HB2 ALA B 30 18.229 4.364 -4.905 1.00 0.00 H
ATOM 571 HB3 ALA B 30 16.470 4.533 -5.114 1.00 0.00 H
ATOM 572 N ILE B 31 15.344 6.505 -3.641 1.00 0.00 N
ATOM 573 CA ILE B 31 14.099 7.209 -3.387 1.00 0.00 C
ATOM 574 C ILE B 31 12.949 6.465 -4.070 1.00 0.00 C
ATOM 575 O ILE B 31 12.921 6.349 -5.294 1.00 0.00 O
ATOM 576 CB ILE B 31 14.217 8.676 -3.805 1.00 0.00 C
ATOM 577 CG1 ILE B 31 15.424 9.340 -3.139 1.00 0.00 C
ATOM 578 CG2 ILE B 31 12.917 9.433 -3.522 1.00 0.00 C
ATOM 579 CD1 ILE B 31 16.606 9.423 -4.106 1.00 0.00 C
ATOM 580 H ILE B 31 15.754 6.681 -4.536 1.00 0.00 H
ATOM 581 HA ILE B 31 13.929 7.193 -2.310 1.00 0.00 H
ATOM 582 HB ILE B 31 14.383 8.712 -4.881 1.00 0.00 H
ATOM 583 HG12 ILE B 31 15.153 10.341 -2.803 1.00 0.00 H
ATOM 584 HG13 ILE B 31 15.712 8.774 -2.253 1.00 0.00 H
ATOM 585 HG21 ILE B 31 12.808 10.246 -4.240 1.00 0.00 H
ATOM 586 HG22 ILE B 31 12.072 8.750 -3.614 1.00 0.00 H
ATOM 587 HG23 ILE B 31 12.947 9.841 -2.512 1.00 0.00 H
ATOM 588 HD11 ILE B 31 16.582 8.570 -4.783 1.00 0.00 H
ATOM 589 HD12 ILE B 31 16.541 10.347 -4.682 1.00 0.00 H
ATOM 590 HD13 ILE B 31 17.539 9.413 -3.541 1.00 0.00 H
ATOM 591 N ILE B 32 12.029 5.981 -3.249 1.00 0.00 N
ATOM 592 CA ILE B 32 10.880 5.252 -3.759 1.00 0.00 C
ATOM 593 C ILE B 32 9.624 5.700 -3.010 1.00 0.00 C
ATOM 594 O ILE B 32 9.464 5.406 -1.826 1.00 0.00 O
ATOM 595 CB ILE B 32 11.130 3.744 -3.692 1.00 0.00 C
ATOM 596 CG1 ILE B 32 10.053 2.975 -4.460 1.00 0.00 C
ATOM 597 CG2 ILE B 32 11.249 3.271 -2.242 1.00 0.00 C
ATOM 598 CD1 ILE B 32 8.664 3.253 -3.881 1.00 0.00 C
ATOM 599 H ILE B 32 12.059 6.080 -2.254 1.00 0.00 H
ATOM 600 HA ILE B 32 10.768 5.514 -4.810 1.00 0.00 H
ATOM 601 HB ILE B 32 12.083 3.534 -4.178 1.00 0.00 H
ATOM 602 HG12 ILE B 32 10.076 3.261 -5.511 1.00 0.00 H
ATOM 603 HG13 ILE B 32 10.262 1.907 -4.415 1.00 0.00 H
ATOM 604 HG21 ILE B 32 12.194 2.744 -2.108 1.00 0.00 H
ATOM 605 HG22 ILE B 32 11.216 4.133 -1.575 1.00 0.00 H
ATOM 606 HG23 ILE B 32 10.422 2.600 -2.010 1.00 0.00 H
ATOM 607 HD11 ILE B 32 8.744 3.416 -2.806 1.00 0.00 H
ATOM 608 HD12 ILE B 32 8.245 4.142 -4.352 1.00 0.00 H
ATOM 609 HD13 ILE B 32 8.013 2.400 -4.072 1.00 0.00 H
ATOM 610 N GLY B 33 8.764 6.406 -3.730 1.00 0.00 N
ATOM 611 CA GLY B 33 7.527 6.898 -3.149 1.00 0.00 C
ATOM 612 C GLY B 33 6.348 5.997 -3.524 1.00 0.00 C
ATOM 613 O GLY B 33 6.304 5.455 -4.627 1.00 0.00 O
ATOM 614 H GLY B 33 8.902 6.641 -4.692 1.00 0.00 H
ATOM 615 HA2 GLY B 33 7.623 6.943 -2.064 1.00 0.00 H
ATOM 616 HA3 GLY B 33 7.337 7.914 -3.494 1.00 0.00 H
ATOM 617 N LEU B 34 5.422 5.866 -2.586 1.00 0.00 N
ATOM 618 CA LEU B 34 4.247 5.041 -2.805 1.00 0.00 C
ATOM 619 C LEU B 34 3.011 5.769 -2.271 1.00 0.00 C
ATOM 620 O LEU B 34 2.982 6.183 -1.113 1.00 0.00 O
ATOM 621 CB LEU B 34 4.449 3.650 -2.201 1.00 0.00 C
ATOM 622 CG LEU B 34 4.135 2.468 -3.121 1.00 0.00 C
ATOM 623 CD1 LEU B 34 4.987 1.250 -2.758 1.00 0.00 C
ATOM 624 CD2 LEU B 34 2.639 2.145 -3.108 1.00 0.00 C
ATOM 625 H LEU B 34 5.466 6.311 -1.691 1.00 0.00 H
ATOM 626 HA LEU B 34 4.134 4.912 -3.881 1.00 0.00 H
ATOM 627 HB2 LEU B 34 5.485 3.564 -1.874 1.00 0.00 H
ATOM 628 HB3 LEU B 34 3.826 3.567 -1.311 1.00 0.00 H
ATOM 629 HG LEU B 34 4.395 2.750 -4.141 1.00 0.00 H
ATOM 630 HD11 LEU B 34 5.778 1.551 -2.072 1.00 0.00 H
ATOM 631 HD12 LEU B 34 4.359 0.496 -2.281 1.00 0.00 H
ATOM 632 HD13 LEU B 34 5.430 0.833 -3.663 1.00 0.00 H
ATOM 633 HD21 LEU B 34 2.429 1.429 -2.314 1.00 0.00 H
ATOM 634 HD22 LEU B 34 2.072 3.060 -2.932 1.00 0.00 H
ATOM 635 HD23 LEU B 34 2.352 1.718 -4.069 1.00 0.00 H
ATOM 636 N MET B 35 2.021 5.903 -3.141 1.00 0.00 N
ATOM 637 CA MET B 35 0.786 6.574 -2.772 1.00 0.00 C
ATOM 638 C MET B 35 -0.427 5.857 -3.369 1.00 0.00 C
ATOM 639 O MET B 35 -0.674 5.944 -4.571 1.00 0.00 O
ATOM 640 CB MET B 35 0.822 8.020 -3.270 1.00 0.00 C
ATOM 641 CG MET B 35 0.479 8.997 -2.144 1.00 0.00 C
ATOM 642 SD MET B 35 0.285 10.644 -2.802 1.00 0.00 S
ATOM 643 CE MET B 35 -0.625 11.406 -1.469 1.00 0.00 C
ATOM 644 H MET B 35 2.053 5.563 -4.081 1.00 0.00 H
ATOM 645 HA MET B 35 0.743 6.530 -1.683 1.00 0.00 H
ATOM 646 HB2 MET B 35 1.812 8.248 -3.665 1.00 0.00 H
ATOM 647 HB3 MET B 35 0.115 8.143 -4.091 1.00 0.00 H
ATOM 648 HG2 MET B 35 -0.439 8.684 -1.647 1.00 0.00 H
ATOM 649 HG3 MET B 35 1.267 8.987 -1.391 1.00 0.00 H
ATOM 650 HE1 MET B 35 -0.434 10.864 -0.543 1.00 0.00 H
ATOM 651 HE2 MET B 35 -0.305 12.442 -1.356 1.00 0.00 H
ATOM 652 HE3 MET B 35 -1.691 11.377 -1.694 1.00 0.00 H