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1aml.pdb
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1aml.pdb
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HEADER SERINE PROTEASE INHIBITOR 13-FEB-95 1AML
TITLE THE ALZHEIMER`S DISEASE AMYLOID A4 PEPTIDE (RESIDUES 1-40)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AMYLOID A4;
COMPND 3 CHAIN: A;
COMPND 4 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: POTENTIAL;
SOURCE 6 EXPRESSION_SYSTEM: UNIDENTIFIED;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 32644
KEYWDS SERINE PROTEASE INHIBITOR
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.ROESCH,H.STICHT
REVDAT 2 24-FEB-09 1AML 1 VERSN
REVDAT 1 29-JAN-96 1AML 0
JRNL AUTH H.STICHT,P.BAYER,D.WILLBOLD,S.DAMES,C.HILBICH,
JRNL AUTH 2 K.BEYREUTHER,R.W.FRANK,P.ROSCH
JRNL TITL STRUCTURE OF AMYLOID A4-(1-40)-PEPTIDE OF
JRNL TITL 2 ALZHEIMER'S DISEASE.
JRNL REF EUR.J.BIOCHEM. V. 233 293 1995
JRNL REFN ISSN 0014-2956
JRNL PMID 7588758
JRNL DOI 10.1111/J.1432-1033.1995.293_1.X
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1AML COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
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 : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 GLU A 3 27.58 -150.55
REMARK 500 1 ARG A 5 -144.11 -133.46
REMARK 500 1 SER A 8 -144.66 -156.05
REMARK 500 1 TYR A 10 -105.06 -62.33
REMARK 500 1 HIS A 13 -49.15 -141.54
REMARK 500 1 VAL A 18 -75.86 -50.25
REMARK 500 1 PHE A 19 -42.16 -26.94
REMARK 500 1 VAL A 24 -78.48 -92.51
REMARK 500 1 SER A 26 51.31 164.79
REMARK 500 1 ASN A 27 -138.70 -126.10
REMARK 500 1 ALA A 30 -87.75 -133.53
REMARK 500 2 ARG A 5 -149.76 -96.16
REMARK 500 2 HIS A 6 27.18 41.72
REMARK 500 2 ASP A 7 -150.81 -154.49
REMARK 500 2 SER A 8 -144.37 -118.60
REMARK 500 2 TYR A 10 -119.84 -156.21
REMARK 500 2 GLU A 11 -59.07 -168.20
REMARK 500 2 HIS A 13 60.23 -118.67
REMARK 500 2 HIS A 14 -41.62 -172.17
REMARK 500 2 VAL A 18 -76.63 -52.18
REMARK 500 2 PHE A 19 -42.67 -26.33
REMARK 500 2 LYS A 28 -176.68 -177.01
REMARK 500 2 LEU A 34 -77.55 -65.54
REMARK 500 2 VAL A 36 30.27 -84.15
REMARK 500 3 PHE A 4 -59.38 -125.40
REMARK 500 3 TYR A 10 -129.70 -74.27
REMARK 500 3 GLU A 11 -89.25 51.79
REMARK 500 3 HIS A 13 48.45 -97.61
REMARK 500 3 HIS A 14 -61.69 179.64
REMARK 500 3 VAL A 18 -71.42 -50.04
REMARK 500 3 PHE A 19 -41.88 -26.11
REMARK 500 3 SER A 26 60.07 -172.08
REMARK 500 3 ASN A 27 86.24 -65.32
REMARK 500 3 LYS A 28 -70.14 -52.71
REMARK 500 3 ALA A 30 -61.23 -109.07
REMARK 500 3 VAL A 36 30.58 -86.76
REMARK 500 4 ARG A 5 125.91 61.92
REMARK 500 4 TYR A 10 -74.85 -105.35
REMARK 500 4 GLU A 11 -97.83 64.49
REMARK 500 4 HIS A 13 47.58 -100.40
REMARK 500 4 HIS A 14 -50.50 177.39
REMARK 500 4 VAL A 18 -76.91 -50.76
REMARK 500 4 PHE A 19 -41.81 -27.24
REMARK 500 4 VAL A 24 -61.71 -101.91
REMARK 500 4 ASN A 27 87.68 -57.18
REMARK 500 4 LYS A 28 79.97 66.74
REMARK 500 4 ALA A 30 -63.05 -94.02
REMARK 500 4 LEU A 34 -70.13 -58.49
REMARK 500 4 VAL A 36 32.09 -86.56
REMARK 500 5 ALA A 2 -178.65 -68.80
REMARK 500 5 GLU A 3 25.28 -148.53
REMARK 500 5 ARG A 5 76.61 66.28
REMARK 500 5 HIS A 6 -167.30 73.54
REMARK 500 5 ASP A 7 -44.15 -148.13
REMARK 500 5 SER A 8 121.64 -178.13
REMARK 500 5 TYR A 10 -118.26 -120.85
REMARK 500 5 GLU A 11 -95.93 -164.87
REMARK 500 5 HIS A 13 68.89 -109.82
REMARK 500 5 HIS A 14 -53.67 177.24
REMARK 500 5 VAL A 18 -75.73 -46.31
REMARK 500 5 PHE A 19 -40.60 -27.85
REMARK 500 5 ASN A 27 -76.94 -74.29
REMARK 500 6 PHE A 4 -50.04 -137.19
REMARK 500 6 ARG A 5 87.56 -49.72
REMARK 500 6 HIS A 6 101.19 -179.52
REMARK 500 6 SER A 8 108.63 -167.81
REMARK 500 6 TYR A 10 -102.52 -118.85
REMARK 500 6 GLU A 11 -168.33 -162.60
REMARK 500 6 VAL A 12 -34.62 -34.19
REMARK 500 6 HIS A 13 40.76 -87.45
REMARK 500 6 HIS A 14 -45.03 -159.09
REMARK 500 6 VAL A 18 -75.28 -48.57
REMARK 500 6 PHE A 19 -39.54 -28.07
REMARK 500 6 SER A 26 35.07 -161.84
REMARK 500 6 LEU A 34 -66.15 -91.11
REMARK 500 7 PHE A 4 -38.96 -161.46
REMARK 500 7 HIS A 6 -153.33 -68.51
REMARK 500 7 ASP A 7 165.61 -47.09
REMARK 500 7 SER A 8 -142.44 -102.99
REMARK 500 7 TYR A 10 -93.49 -111.85
REMARK 500 7 HIS A 13 40.07 -88.77
REMARK 500 7 HIS A 14 -44.07 -158.05
REMARK 500 7 VAL A 18 -76.84 -51.96
REMARK 500 7 PHE A 19 -42.06 -26.91
REMARK 500 7 SER A 26 54.24 -171.61
REMARK 500 7 ALA A 30 -70.72 -117.99
REMARK 500 7 VAL A 36 34.62 -87.73
REMARK 500 8 PHE A 4 -36.53 -157.59
REMARK 500 8 ARG A 5 86.86 -60.26
REMARK 500 8 SER A 8 58.28 72.64
REMARK 500 8 TYR A 10 -99.64 -90.45
REMARK 500 8 GLU A 11 -154.11 -157.81
REMARK 500 8 VAL A 12 -35.58 -38.40
REMARK 500 8 HIS A 13 40.77 -86.20
REMARK 500 8 HIS A 14 -42.82 -164.81
REMARK 500 8 VAL A 18 -76.08 -48.78
REMARK 500 8 PHE A 19 -41.76 -26.51
REMARK 500 8 VAL A 24 -67.29 -100.51
REMARK 500 8 ALA A 30 -67.76 -101.34
REMARK 500 9 ARG A 5 88.22 -50.19
REMARK 500 9 TYR A 10 -131.05 -168.44
REMARK 500 9 HIS A 13 -45.86 -146.12
REMARK 500 9 VAL A 18 -76.87 -49.76
REMARK 500 9 PHE A 19 -41.87 -27.17
REMARK 500 9 SER A 26 71.04 178.15
REMARK 500 9 LYS A 28 -173.68 52.14
REMARK 500 9 VAL A 39 -43.82 -137.62
REMARK 500 10 ALA A 2 171.46 -55.44
REMARK 500 10 ARG A 5 101.89 52.30
REMARK 500 10 ASP A 7 -146.00 -70.69
REMARK 500 10 SER A 8 -142.92 -102.18
REMARK 500 10 TYR A 10 -108.90 -179.75
REMARK 500 10 GLU A 11 -77.88 -169.43
REMARK 500 10 HIS A 13 58.75 -106.03
REMARK 500 10 HIS A 14 -56.42 -175.00
REMARK 500 10 VAL A 18 -75.77 -46.92
REMARK 500 10 PHE A 19 -39.36 -29.09
REMARK 500 10 SER A 26 68.56 69.04
REMARK 500 10 ASN A 27 59.30 -143.15
REMARK 500 11 PHE A 4 -159.52 -171.38
REMARK 500 11 ARG A 5 104.94 65.23
REMARK 500 11 ASP A 7 -73.01 -87.41
REMARK 500 11 TYR A 10 -102.14 -106.54
REMARK 500 11 VAL A 12 -34.29 -39.33
REMARK 500 11 HIS A 13 39.63 -85.64
REMARK 500 11 HIS A 14 -42.76 -158.42
REMARK 500 11 VAL A 18 -76.46 -49.36
REMARK 500 11 PHE A 19 -42.49 -26.51
REMARK 500 11 SER A 26 63.45 -168.96
REMARK 500 11 VAL A 36 31.79 -85.97
REMARK 500 12 ARG A 5 116.87 68.27
REMARK 500 12 HIS A 6 104.11 -43.47
REMARK 500 12 ASP A 7 -149.96 -146.99
REMARK 500 12 TYR A 10 -128.48 -150.38
REMARK 500 12 GLU A 11 -37.51 -167.65
REMARK 500 12 VAL A 18 -75.77 -49.70
REMARK 500 12 PHE A 19 -40.94 -27.32
REMARK 500 12 VAL A 24 -71.45 -90.08
REMARK 500 12 SER A 26 46.26 -173.84
REMARK 500 12 ASN A 27 -75.74 -46.70
REMARK 500 12 LYS A 28 133.84 76.58
REMARK 500 12 ALA A 30 -88.29 -131.04
REMARK 500 13 GLU A 3 30.52 -178.82
REMARK 500 13 ARG A 5 -148.97 -116.20
REMARK 500 13 HIS A 6 132.55 65.85
REMARK 500 13 ASP A 7 -86.69 -120.46
REMARK 500 13 SER A 8 109.31 -178.01
REMARK 500 13 TYR A 10 -135.24 -131.65
REMARK 500 13 GLU A 11 -38.38 -164.02
REMARK 500 13 HIS A 13 -57.71 -129.45
REMARK 500 13 VAL A 18 -76.40 -48.75
REMARK 500 13 PHE A 19 -42.61 -25.88
REMARK 500 13 VAL A 24 -82.49 -106.51
REMARK 500 13 SER A 26 64.11 167.13
REMARK 500 13 LYS A 28 151.77 173.81
REMARK 500 14 ASP A 7 -159.11 -89.52
REMARK 500 14 TYR A 10 -143.83 -157.38
REMARK 500 14 HIS A 14 -40.95 -170.26
REMARK 500 14 VAL A 18 -76.38 -51.20
REMARK 500 14 PHE A 19 -42.74 -25.83
REMARK 500 14 SER A 26 65.18 177.74
REMARK 500 14 ASN A 27 -92.44 -51.79
REMARK 500 14 LYS A 28 -77.38 -178.74
REMARK 500 15 PHE A 4 -54.78 -140.88
REMARK 500 15 ARG A 5 -154.74 -126.47
REMARK 500 15 ASP A 7 -130.10 37.91
REMARK 500 15 TYR A 10 -132.39 -117.68
REMARK 500 15 GLU A 11 -32.93 -163.89
REMARK 500 15 VAL A 18 -75.95 -48.85
REMARK 500 15 PHE A 19 -40.62 -27.57
REMARK 500 15 SER A 26 58.98 -171.56
REMARK 500 15 ALA A 30 -82.61 -109.70
REMARK 500 15 VAL A 39 -46.83 -138.47
REMARK 500 16 PHE A 4 -33.64 -167.69
REMARK 500 16 ARG A 5 -145.37 -72.49
REMARK 500 16 HIS A 6 96.03 47.63
REMARK 500 16 ASP A 7 -78.92 -79.40
REMARK 500 16 TYR A 10 -97.88 -91.78
REMARK 500 16 GLU A 11 -145.55 -157.50
REMARK 500 16 HIS A 13 45.04 -86.05
REMARK 500 16 HIS A 14 -40.54 -166.12
REMARK 500 16 VAL A 18 -76.34 -49.09
REMARK 500 16 PHE A 19 -41.23 -26.95
REMARK 500 16 VAL A 24 -84.86 -108.32
REMARK 500 16 SER A 26 59.74 -174.20
REMARK 500 16 VAL A 36 31.22 -87.19
REMARK 500 17 PHE A 4 -158.66 36.10
REMARK 500 17 ARG A 5 -142.54 -99.42
REMARK 500 17 HIS A 6 153.46 58.80
REMARK 500 17 SER A 8 86.29 -154.29
REMARK 500 17 TYR A 10 -96.16 -173.01
REMARK 500 17 VAL A 12 -28.55 -37.79
REMARK 500 17 HIS A 13 38.21 -88.28
REMARK 500 17 HIS A 14 -46.02 -154.22
REMARK 500 17 VAL A 18 -76.20 -49.04
REMARK 500 17 PHE A 19 -41.95 -26.59
REMARK 500 17 SER A 26 51.55 -171.20
REMARK 500 17 ALA A 30 -84.37 -138.61
REMARK 500 17 VAL A 36 31.84 -86.73
REMARK 500 18 PHE A 4 -33.38 -131.04
REMARK 500 18 ARG A 5 -137.20 -67.11
REMARK 500 18 HIS A 6 -158.54 -150.43
REMARK 500 18 SER A 8 84.77 -69.15
REMARK 500 18 TYR A 10 -118.86 -110.13
REMARK 500 18 GLU A 11 -100.61 -163.26
REMARK 500 18 HIS A 13 60.85 -103.75
REMARK 500 18 HIS A 14 -60.32 175.91
REMARK 500 18 VAL A 18 -78.36 -55.84
REMARK 500 18 PHE A 19 -42.20 -26.80
REMARK 500 18 SER A 26 43.40 -169.28
REMARK 500 18 LYS A 28 97.81 50.16
REMARK 500 18 ALA A 30 -60.91 -129.48
REMARK 500 19 PHE A 4 -42.88 -156.89
REMARK 500 19 HIS A 6 -160.65 -109.77
REMARK 500 19 ASP A 7 171.47 51.94
REMARK 500 19 TYR A 10 -137.10 -140.95
REMARK 500 19 VAL A 18 -76.72 -48.07
REMARK 500 19 PHE A 19 -43.88 -26.47
REMARK 500 19 VAL A 24 -64.02 -91.25
REMARK 500 19 SER A 26 71.60 75.99
REMARK 500 19 LYS A 28 159.62 74.02
REMARK 500 19 ALA A 30 -76.90 -75.36
REMARK 500 20 PHE A 4 -36.61 -153.54
REMARK 500 20 ARG A 5 89.19 -32.19
REMARK 500 20 SER A 8 75.46 43.44
REMARK 500 20 TYR A 10 -52.50 179.19
REMARK 500 20 HIS A 14 -29.95 -35.59
REMARK 500 20 VAL A 18 -76.49 -52.01
REMARK 500 20 PHE A 19 -41.47 -27.51
REMARK 500 20 VAL A 24 -76.65 -98.02
REMARK 500 20 LYS A 28 -148.90 67.26
REMARK 500 20 ALA A 30 -90.59 -118.81
REMARK 500 20 LEU A 34 -74.86 -65.86
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 1 ARG A 5 0.32 SIDE_CHAIN
REMARK 500 2 ARG A 5 0.11 SIDE_CHAIN
REMARK 500 3 ARG A 5 0.10 SIDE_CHAIN
REMARK 500 4 ARG A 5 0.28 SIDE_CHAIN
REMARK 500 5 ARG A 5 0.31 SIDE_CHAIN
REMARK 500 6 ARG A 5 0.28 SIDE_CHAIN
REMARK 500 8 ARG A 5 0.24 SIDE_CHAIN
REMARK 500 9 ARG A 5 0.32 SIDE_CHAIN
REMARK 500 10 ARG A 5 0.29 SIDE_CHAIN
REMARK 500 11 ARG A 5 0.21 SIDE_CHAIN
REMARK 500 12 ARG A 5 0.30 SIDE_CHAIN
REMARK 500 13 ARG A 5 0.22 SIDE_CHAIN
REMARK 500 14 ARG A 5 0.29 SIDE_CHAIN
REMARK 500 15 ARG A 5 0.31 SIDE_CHAIN
REMARK 500 16 ARG A 5 0.23 SIDE_CHAIN
REMARK 500 17 ARG A 5 0.29 SIDE_CHAIN
REMARK 500 18 ARG A 5 0.28 SIDE_CHAIN
REMARK 500 19 ARG A 5 0.29 SIDE_CHAIN
REMARK 500 20 ARG A 5 0.31 SIDE_CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1AML A 1 40 UNP P05067 A4_HUMAN 672 711
SEQRES 1 A 40 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 A 40 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 A 40 ASN LYS GLY ALA ILE ILE GLY LEU MET VAL GLY GLY VAL
SEQRES 4 A 40 VAL
HELIX 1 H1 GLN A 15 ASP A 23 1 9
HELIX 2 H2 ILE A 31 MET A 35 1 5
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 ASP A 1 8.950 5.340 -7.914 1.00 0.00 N
ATOM 2 CA ASP A 1 10.353 4.964 -7.580 1.00 0.00 C
ATOM 3 C ASP A 1 10.366 3.588 -6.912 1.00 0.00 C
ATOM 4 O ASP A 1 9.562 3.299 -6.047 1.00 0.00 O
ATOM 5 CB ASP A 1 10.945 6.001 -6.624 1.00 0.00 C
ATOM 6 CG ASP A 1 12.457 6.088 -6.836 1.00 0.00 C
ATOM 7 OD1 ASP A 1 13.030 5.109 -7.287 1.00 0.00 O
ATOM 8 OD2 ASP A 1 13.018 7.132 -6.545 1.00 0.00 O
ATOM 9 H1 ASP A 1 8.294 4.795 -7.318 1.00 0.00 H
ATOM 10 H2 ASP A 1 8.813 6.356 -7.743 1.00 0.00 H
ATOM 11 H3 ASP A 1 8.764 5.131 -8.915 1.00 0.00 H
ATOM 12 HA ASP A 1 10.942 4.931 -8.484 1.00 0.00 H
ATOM 13 HB2 ASP A 1 10.497 6.965 -6.817 1.00 0.00 H
ATOM 14 HB3 ASP A 1 10.743 5.707 -5.605 1.00 0.00 H
ATOM 15 N ALA A 2 11.270 2.735 -7.308 1.00 0.00 N
ATOM 16 CA ALA A 2 11.333 1.379 -6.701 1.00 0.00 C
ATOM 17 C ALA A 2 11.940 1.472 -5.300 1.00 0.00 C
ATOM 18 O ALA A 2 12.408 2.512 -4.882 1.00 0.00 O
ATOM 19 CB ALA A 2 12.206 0.481 -7.576 1.00 0.00 C
ATOM 20 H ALA A 2 11.907 2.984 -8.008 1.00 0.00 H
ATOM 21 HA ALA A 2 10.338 0.964 -6.638 1.00 0.00 H
ATOM 22 HB1 ALA A 2 12.834 1.095 -8.205 1.00 0.00 H
ATOM 23 HB2 ALA A 2 12.824 -0.142 -6.948 1.00 0.00 H
ATOM 24 HB3 ALA A 2 11.576 -0.141 -8.194 1.00 0.00 H
ATOM 25 N GLU A 3 11.935 0.390 -4.571 1.00 0.00 N
ATOM 26 CA GLU A 3 12.511 0.412 -3.198 1.00 0.00 C
ATOM 27 C GLU A 3 13.054 -0.976 -2.853 1.00 0.00 C
ATOM 28 O GLU A 3 13.105 -1.363 -1.703 1.00 0.00 O
ATOM 29 CB GLU A 3 11.422 0.791 -2.195 1.00 0.00 C
ATOM 30 CG GLU A 3 12.043 1.591 -1.049 1.00 0.00 C
ATOM 31 CD GLU A 3 11.781 3.082 -1.267 1.00 0.00 C
ATOM 32 OE1 GLU A 3 11.249 3.424 -2.310 1.00 0.00 O
ATOM 33 OE2 GLU A 3 12.117 3.857 -0.387 1.00 0.00 O
ATOM 34 H GLU A 3 11.552 -0.439 -4.928 1.00 0.00 H
ATOM 35 HA GLU A 3 13.311 1.135 -3.153 1.00 0.00 H
ATOM 36 HB2 GLU A 3 10.670 1.389 -2.689 1.00 0.00 H
ATOM 37 HB3 GLU A 3 10.969 -0.107 -1.802 1.00 0.00 H
ATOM 38 HG2 GLU A 3 11.604 1.279 -0.113 1.00 0.00 H
ATOM 39 HG3 GLU A 3 13.108 1.415 -1.024 1.00 0.00 H
ATOM 40 N PHE A 4 13.451 -1.726 -3.844 1.00 0.00 N
ATOM 41 CA PHE A 4 13.987 -3.095 -3.586 1.00 0.00 C
ATOM 42 C PHE A 4 14.884 -3.078 -2.347 1.00 0.00 C
ATOM 43 O PHE A 4 14.796 -3.938 -1.495 1.00 0.00 O
ATOM 44 CB PHE A 4 14.800 -3.572 -4.794 1.00 0.00 C
ATOM 45 CG PHE A 4 15.536 -2.407 -5.415 1.00 0.00 C
ATOM 46 CD1 PHE A 4 16.810 -2.054 -4.951 1.00 0.00 C
ATOM 47 CD2 PHE A 4 14.948 -1.684 -6.461 1.00 0.00 C
ATOM 48 CE1 PHE A 4 17.494 -0.979 -5.532 1.00 0.00 C
ATOM 49 CE2 PHE A 4 15.631 -0.609 -7.040 1.00 0.00 C
ATOM 50 CZ PHE A 4 16.904 -0.256 -6.576 1.00 0.00 C
ATOM 51 H PHE A 4 13.390 -1.391 -4.761 1.00 0.00 H
ATOM 52 HA PHE A 4 13.164 -3.775 -3.420 1.00 0.00 H
ATOM 53 HB2 PHE A 4 15.513 -4.317 -4.474 1.00 0.00 H
ATOM 54 HB3 PHE A 4 14.134 -4.005 -5.525 1.00 0.00 H
ATOM 55 HD1 PHE A 4 17.265 -2.611 -4.145 1.00 0.00 H
ATOM 56 HD2 PHE A 4 13.966 -1.956 -6.819 1.00 0.00 H
ATOM 57 HE1 PHE A 4 18.477 -0.708 -5.175 1.00 0.00 H
ATOM 58 HE2 PHE A 4 15.176 -0.051 -7.844 1.00 0.00 H
ATOM 59 HZ PHE A 4 17.432 0.573 -7.024 1.00 0.00 H
ATOM 60 N ARG A 5 15.747 -2.106 -2.239 1.00 0.00 N
ATOM 61 CA ARG A 5 16.645 -2.039 -1.057 1.00 0.00 C
ATOM 62 C ARG A 5 16.650 -0.611 -0.507 1.00 0.00 C
ATOM 63 O ARG A 5 15.645 0.071 -0.518 1.00 0.00 O
ATOM 64 CB ARG A 5 18.060 -2.447 -1.476 1.00 0.00 C
ATOM 65 CG ARG A 5 18.015 -3.829 -2.133 1.00 0.00 C
ATOM 66 CD ARG A 5 19.049 -3.896 -3.258 1.00 0.00 C
ATOM 67 NE ARG A 5 20.249 -4.641 -2.785 1.00 0.00 N
ATOM 68 CZ ARG A 5 20.829 -5.508 -3.568 1.00 0.00 C
ATOM 69 NH1 ARG A 5 21.680 -5.104 -4.470 1.00 0.00 N
ATOM 70 NH2 ARG A 5 20.558 -6.779 -3.449 1.00 0.00 N
ATOM 71 H ARG A 5 15.806 -1.421 -2.935 1.00 0.00 H
ATOM 72 HA ARG A 5 16.288 -2.714 -0.294 1.00 0.00 H
ATOM 73 HB2 ARG A 5 18.449 -1.725 -2.180 1.00 0.00 H
ATOM 74 HB3 ARG A 5 18.698 -2.485 -0.606 1.00 0.00 H
ATOM 75 HG2 ARG A 5 18.237 -4.585 -1.394 1.00 0.00 H
ATOM 76 HG3 ARG A 5 17.031 -4.002 -2.541 1.00 0.00 H
ATOM 77 HD2 ARG A 5 18.622 -4.405 -4.109 1.00 0.00 H
ATOM 78 HD3 ARG A 5 19.336 -2.895 -3.544 1.00 0.00 H
ATOM 79 HE ARG A 5 20.604 -4.479 -1.886 1.00 0.00 H
ATOM 80 HH11 ARG A 5 21.888 -4.130 -4.560 1.00 0.00 H
ATOM 81 HH12 ARG A 5 22.124 -5.768 -5.072 1.00 0.00 H
ATOM 82 HH21 ARG A 5 19.905 -7.088 -2.758 1.00 0.00 H
ATOM 83 HH22 ARG A 5 21.004 -7.443 -4.049 1.00 0.00 H
ATOM 84 N HIS A 6 17.770 -0.155 -0.024 1.00 0.00 N
ATOM 85 CA HIS A 6 17.835 1.227 0.529 1.00 0.00 C
ATOM 86 C HIS A 6 16.997 1.300 1.805 1.00 0.00 C
ATOM 87 O HIS A 6 16.565 2.357 2.219 1.00 0.00 O
ATOM 88 CB HIS A 6 17.283 2.216 -0.502 1.00 0.00 C
ATOM 89 CG HIS A 6 18.007 3.528 -0.382 1.00 0.00 C
ATOM 90 ND1 HIS A 6 17.335 4.732 -0.243 1.00 0.00 N
ATOM 91 CD2 HIS A 6 19.343 3.842 -0.380 1.00 0.00 C
ATOM 92 CE1 HIS A 6 18.260 5.706 -0.165 1.00 0.00 C
ATOM 93 NE2 HIS A 6 19.501 5.218 -0.242 1.00 0.00 N
ATOM 94 H HIS A 6 18.566 -0.720 -0.023 1.00 0.00 H
ATOM 95 HA HIS A 6 18.859 1.475 0.757 1.00 0.00 H
ATOM 96 HB2 HIS A 6 17.426 1.816 -1.495 1.00 0.00 H
ATOM 97 HB3 HIS A 6 16.229 2.370 -0.325 1.00 0.00 H
ATOM 98 HD1 HIS A 6 16.363 4.852 -0.210 1.00 0.00 H
ATOM 99 HD2 HIS A 6 20.149 3.129 -0.473 1.00 0.00 H
ATOM 100 HE1 HIS A 6 18.027 6.755 -0.053 1.00 0.00 H
ATOM 101 N ASP A 7 16.764 0.180 2.430 1.00 0.00 N
ATOM 102 CA ASP A 7 15.955 0.170 3.675 1.00 0.00 C
ATOM 103 C ASP A 7 16.786 -0.420 4.818 1.00 0.00 C
ATOM 104 O ASP A 7 17.024 -1.610 4.873 1.00 0.00 O
ATOM 105 CB ASP A 7 14.715 -0.692 3.454 1.00 0.00 C
ATOM 106 CG ASP A 7 13.863 -0.088 2.336 1.00 0.00 C
ATOM 107 OD1 ASP A 7 13.870 1.124 2.202 1.00 0.00 O
ATOM 108 OD2 ASP A 7 13.219 -0.849 1.632 1.00 0.00 O
ATOM 109 H ASP A 7 17.120 -0.659 2.076 1.00 0.00 H
ATOM 110 HA ASP A 7 15.657 1.178 3.924 1.00 0.00 H
ATOM 111 HB2 ASP A 7 15.022 -1.690 3.175 1.00 0.00 H
ATOM 112 HB3 ASP A 7 14.139 -0.731 4.364 1.00 0.00 H
ATOM 113 N SER A 8 17.229 0.401 5.729 1.00 0.00 N
ATOM 114 CA SER A 8 18.041 -0.113 6.863 1.00 0.00 C
ATOM 115 C SER A 8 17.924 0.858 8.039 1.00 0.00 C
ATOM 116 O SER A 8 16.888 1.451 8.266 1.00 0.00 O
ATOM 117 CB SER A 8 19.503 -0.224 6.424 1.00 0.00 C
ATOM 118 OG SER A 8 20.089 -1.372 7.025 1.00 0.00 O
ATOM 119 H SER A 8 17.029 1.356 5.670 1.00 0.00 H
ATOM 120 HA SER A 8 17.677 -1.085 7.159 1.00 0.00 H
ATOM 121 HB2 SER A 8 19.554 -0.320 5.352 1.00 0.00 H
ATOM 122 HB3 SER A 8 20.038 0.666 6.729 1.00 0.00 H
ATOM 123 HG SER A 8 20.540 -1.869 6.339 1.00 0.00 H
ATOM 124 N GLY A 9 18.976 1.027 8.785 1.00 0.00 N
ATOM 125 CA GLY A 9 18.930 1.963 9.943 1.00 0.00 C
ATOM 126 C GLY A 9 20.039 3.004 9.791 1.00 0.00 C
ATOM 127 O GLY A 9 19.790 4.193 9.753 1.00 0.00 O
ATOM 128 H GLY A 9 19.798 0.542 8.581 1.00 0.00 H
ATOM 129 HA2 GLY A 9 17.969 2.457 9.969 1.00 0.00 H
ATOM 130 HA3 GLY A 9 19.080 1.413 10.860 1.00 0.00 H
ATOM 131 N TYR A 10 21.263 2.564 9.696 1.00 0.00 N
ATOM 132 CA TYR A 10 22.391 3.522 9.538 1.00 0.00 C
ATOM 133 C TYR A 10 22.207 4.291 8.219 1.00 0.00 C
ATOM 134 O TYR A 10 21.359 5.154 8.121 1.00 0.00 O
ATOM 135 CB TYR A 10 23.711 2.739 9.546 1.00 0.00 C
ATOM 136 CG TYR A 10 24.868 3.690 9.727 1.00 0.00 C
ATOM 137 CD1 TYR A 10 24.788 4.704 10.688 1.00 0.00 C
ATOM 138 CD2 TYR A 10 26.023 3.554 8.947 1.00 0.00 C
ATOM 139 CE1 TYR A 10 25.861 5.582 10.872 1.00 0.00 C
ATOM 140 CE2 TYR A 10 27.097 4.435 9.129 1.00 0.00 C
ATOM 141 CZ TYR A 10 27.015 5.448 10.093 1.00 0.00 C
ATOM 142 OH TYR A 10 28.073 6.313 10.278 1.00 0.00 O
ATOM 143 H TYR A 10 21.440 1.601 9.725 1.00 0.00 H
ATOM 144 HA TYR A 10 22.383 4.221 10.362 1.00 0.00 H
ATOM 145 HB2 TYR A 10 23.698 2.036 10.366 1.00 0.00 H
ATOM 146 HB3 TYR A 10 23.825 2.200 8.620 1.00 0.00 H
ATOM 147 HD1 TYR A 10 23.897 4.809 11.286 1.00 0.00 H
ATOM 148 HD2 TYR A 10 26.083 2.772 8.202 1.00 0.00 H
ATOM 149 HE1 TYR A 10 25.798 6.365 11.614 1.00 0.00 H
ATOM 150 HE2 TYR A 10 27.988 4.331 8.528 1.00 0.00 H
ATOM 151 HH TYR A 10 28.880 5.794 10.303 1.00 0.00 H
ATOM 152 N GLU A 11 22.969 3.979 7.200 1.00 0.00 N
ATOM 153 CA GLU A 11 22.805 4.683 5.894 1.00 0.00 C
ATOM 154 C GLU A 11 23.456 6.067 5.939 1.00 0.00 C
ATOM 155 O GLU A 11 23.317 6.854 5.023 1.00 0.00 O
ATOM 156 CB GLU A 11 21.317 4.831 5.567 1.00 0.00 C
ATOM 157 CG GLU A 11 20.589 3.517 5.867 1.00 0.00 C
ATOM 158 CD GLU A 11 19.180 3.822 6.379 1.00 0.00 C
ATOM 159 OE1 GLU A 11 18.904 4.981 6.639 1.00 0.00 O
ATOM 160 OE2 GLU A 11 18.402 2.891 6.504 1.00 0.00 O
ATOM 161 H GLU A 11 23.637 3.275 7.284 1.00 0.00 H
ATOM 162 HA GLU A 11 23.276 4.098 5.124 1.00 0.00 H
ATOM 163 HB2 GLU A 11 20.893 5.625 6.163 1.00 0.00 H
ATOM 164 HB3 GLU A 11 21.204 5.069 4.521 1.00 0.00 H
ATOM 165 HG2 GLU A 11 20.525 2.927 4.964 1.00 0.00 H
ATOM 166 HG3 GLU A 11 21.132 2.966 6.620 1.00 0.00 H
ATOM 167 N VAL A 12 24.163 6.379 6.988 1.00 0.00 N
ATOM 168 CA VAL A 12 24.811 7.704 7.080 1.00 0.00 C
ATOM 169 C VAL A 12 26.269 7.595 6.615 1.00 0.00 C
ATOM 170 O VAL A 12 26.903 8.582 6.297 1.00 0.00 O
ATOM 171 CB VAL A 12 24.749 8.160 8.534 1.00 0.00 C
ATOM 172 CG1 VAL A 12 25.781 9.245 8.762 1.00 0.00 C
ATOM 173 CG2 VAL A 12 23.355 8.711 8.834 1.00 0.00 C
ATOM 174 H VAL A 12 24.268 5.745 7.722 1.00 0.00 H
ATOM 175 HA VAL A 12 24.288 8.412 6.461 1.00 0.00 H
ATOM 176 HB VAL A 12 24.956 7.323 9.184 1.00 0.00 H
ATOM 177 HG11 VAL A 12 25.746 9.944 7.941 1.00 0.00 H
ATOM 178 HG12 VAL A 12 25.565 9.754 9.686 1.00 0.00 H
ATOM 179 HG13 VAL A 12 26.760 8.794 8.811 1.00 0.00 H
ATOM 180 HG21 VAL A 12 23.006 9.286 7.989 1.00 0.00 H
ATOM 181 HG22 VAL A 12 22.676 7.892 9.018 1.00 0.00 H
ATOM 182 HG23 VAL A 12 23.399 9.345 9.707 1.00 0.00 H
ATOM 183 N HIS A 13 26.804 6.407 6.572 1.00 0.00 N
ATOM 184 CA HIS A 13 28.218 6.243 6.128 1.00 0.00 C
ATOM 185 C HIS A 13 28.343 4.977 5.279 1.00 0.00 C
ATOM 186 O HIS A 13 28.905 4.991 4.202 1.00 0.00 O
ATOM 187 CB HIS A 13 29.127 6.122 7.353 1.00 0.00 C
ATOM 188 CG HIS A 13 30.216 7.157 7.277 1.00 0.00 C
ATOM 189 ND1 HIS A 13 30.014 8.400 6.698 1.00 0.00 N
ATOM 190 CD2 HIS A 13 31.521 7.149 7.703 1.00 0.00 C
ATOM 191 CE1 HIS A 13 31.171 9.083 6.790 1.00 0.00 C
ATOM 192 NE2 HIS A 13 32.122 8.365 7.394 1.00 0.00 N
ATOM 193 H HIS A 13 26.277 5.623 6.834 1.00 0.00 H
ATOM 194 HA HIS A 13 28.514 7.100 5.542 1.00 0.00 H
ATOM 195 HB2 HIS A 13 28.544 6.278 8.248 1.00 0.00 H
ATOM 196 HB3 HIS A 13 29.569 5.137 7.378 1.00 0.00 H
ATOM 197 HD1 HIS A 13 29.181 8.724 6.297 1.00 0.00 H
ATOM 198 HD2 HIS A 13 32.008 6.323 8.201 1.00 0.00 H
ATOM 199 HE1 HIS A 13 31.313 10.087 6.419 1.00 0.00 H
ATOM 200 N HIS A 14 27.824 3.882 5.759 1.00 0.00 N
ATOM 201 CA HIS A 14 27.912 2.613 4.986 1.00 0.00 C
ATOM 202 C HIS A 14 27.507 2.866 3.532 1.00 0.00 C
ATOM 203 O HIS A 14 27.984 2.216 2.623 1.00 0.00 O
ATOM 204 CB HIS A 14 26.972 1.578 5.604 1.00 0.00 C
ATOM 205 CG HIS A 14 27.707 0.277 5.768 1.00 0.00 C
ATOM 206 ND1 HIS A 14 28.174 -0.449 4.684 1.00 0.00 N
ATOM 207 CD2 HIS A 14 28.065 -0.441 6.882 1.00 0.00 C
ATOM 208 CE1 HIS A 14 28.781 -1.549 5.164 1.00 0.00 C
ATOM 209 NE2 HIS A 14 28.743 -1.594 6.498 1.00 0.00 N
ATOM 210 H HIS A 14 27.377 3.893 6.631 1.00 0.00 H
ATOM 211 HA HIS A 14 28.926 2.241 5.017 1.00 0.00 H
ATOM 212 HB2 HIS A 14 26.637 1.932 6.579 1.00 0.00 H
ATOM 213 HB3 HIS A 14 26.118 1.431 4.945 1.00 0.00 H
ATOM 214 HD1 HIS A 14 28.080 -0.205 3.739 1.00 0.00 H
ATOM 215 HD2 HIS A 14 27.853 -0.155 7.902 1.00 0.00 H
ATOM 216 HE1 HIS A 14 29.242 -2.305 4.545 1.00 0.00 H
ATOM 217 N GLN A 15 26.628 3.802 3.305 1.00 0.00 N
ATOM 218 CA GLN A 15 26.191 4.092 1.910 1.00 0.00 C
ATOM 219 C GLN A 15 27.365 4.658 1.111 1.00 0.00 C
ATOM 220 O GLN A 15 27.687 4.179 0.043 1.00 0.00 O
ATOM 221 CB GLN A 15 25.047 5.109 1.936 1.00 0.00 C
ATOM 222 CG GLN A 15 24.039 4.729 3.025 1.00 0.00 C
ATOM 223 CD GLN A 15 23.832 3.209 3.041 1.00 0.00 C
ATOM 224 OE1 GLN A 15 23.239 2.656 2.136 1.00 0.00 O
ATOM 225 NE2 GLN A 15 24.300 2.509 4.040 1.00 0.00 N
ATOM 226 H GLN A 15 26.252 4.313 4.052 1.00 0.00 H
ATOM 227 HA GLN A 15 25.848 3.181 1.445 1.00 0.00 H
ATOM 228 HB2 GLN A 15 25.446 6.092 2.144 1.00 0.00 H
ATOM 229 HB3 GLN A 15 24.551 5.118 0.976 1.00 0.00 H
ATOM 230 HG2 GLN A 15 24.414 5.050 3.986 1.00 0.00 H
ATOM 231 HG3 GLN A 15 23.096 5.215 2.826 1.00 0.00 H
ATOM 232 HE21 GLN A 15 24.777 2.956 4.772 1.00 0.00 H
ATOM 233 HE22 GLN A 15 24.176 1.537 4.057 1.00 0.00 H
ATOM 234 N LYS A 16 28.009 5.673 1.617 1.00 0.00 N
ATOM 235 CA LYS A 16 29.160 6.257 0.877 1.00 0.00 C
ATOM 236 C LYS A 16 30.137 5.141 0.506 1.00 0.00 C
ATOM 237 O LYS A 16 30.899 5.255 -0.433 1.00 0.00 O
ATOM 238 CB LYS A 16 29.869 7.288 1.756 1.00 0.00 C
ATOM 239 CG LYS A 16 28.851 8.314 2.258 1.00 0.00 C
ATOM 240 CD LYS A 16 28.049 8.856 1.074 1.00 0.00 C
ATOM 241 CE LYS A 16 27.052 9.903 1.572 1.00 0.00 C
ATOM 242 NZ LYS A 16 25.684 9.555 1.093 1.00 0.00 N
ATOM 243 H LYS A 16 27.737 6.047 2.481 1.00 0.00 H
ATOM 244 HA LYS A 16 28.803 6.734 -0.023 1.00 0.00 H
ATOM 245 HB2 LYS A 16 30.325 6.789 2.597 1.00 0.00 H
ATOM 246 HB3 LYS A 16 30.629 7.791 1.179 1.00 0.00 H
ATOM 247 HG2 LYS A 16 28.182 7.841 2.962 1.00 0.00 H
ATOM 248 HG3 LYS A 16 29.369 9.127 2.742 1.00 0.00 H
ATOM 249 HD2 LYS A 16 28.722 9.309 0.361 1.00 0.00 H
ATOM 250 HD3 LYS A 16 27.513 8.048 0.601 1.00 0.00 H
ATOM 251 HE2 LYS A 16 27.061 9.923 2.652 1.00 0.00 H
ATOM 252 HE3 LYS A 16 27.330 10.875 1.192 1.00 0.00 H
ATOM 253 HZ1 LYS A 16 25.689 8.592 0.701 1.00 0.00 H
ATOM 254 HZ2 LYS A 16 25.015 9.601 1.887 1.00 0.00 H
ATOM 255 HZ3 LYS A 16 25.394 10.230 0.355 1.00 0.00 H
ATOM 256 N LEU A 17 30.112 4.055 1.231 1.00 0.00 N
ATOM 257 CA LEU A 17 31.032 2.926 0.908 1.00 0.00 C
ATOM 258 C LEU A 17 30.457 2.180 -0.275 1.00 0.00 C
ATOM 259 O LEU A 17 31.056 2.089 -1.321 1.00 0.00 O
ATOM 260 CB LEU A 17 31.133 1.965 2.081 1.00 0.00 C
ATOM 261 CG LEU A 17 30.957 2.726 3.381 1.00 0.00 C
ATOM 262 CD1 LEU A 17 31.535 1.886 4.512 1.00 0.00 C
ATOM 263 CD2 LEU A 17 31.708 4.065 3.306 1.00 0.00 C
ATOM 264 H LEU A 17 29.483 3.979 1.977 1.00 0.00 H
ATOM 265 HA LEU A 17 32.011 3.311 0.677 1.00 0.00 H
ATOM 266 HB2 LEU A 17 30.363 1.212 1.997 1.00 0.00 H
ATOM 267 HB3 LEU A 17 32.103 1.490 2.073 1.00 0.00 H
ATOM 268 HG LEU A 17 29.900 2.897 3.545 1.00 0.00 H
ATOM 269 HD11 LEU A 17 31.134 0.885 4.454 1.00 0.00 H
ATOM 270 HD12 LEU A 17 32.611 1.848 4.413 1.00 0.00 H
ATOM 271 HD13 LEU A 17 31.275 2.328 5.460 1.00 0.00 H
ATOM 272 HD21 LEU A 17 32.429 4.027 2.499 1.00 0.00 H
ATOM 273 HD22 LEU A 17 31.005 4.864 3.116 1.00 0.00 H
ATOM 274 HD23 LEU A 17 32.220 4.248 4.237 1.00 0.00 H
ATOM 275 N VAL A 18 29.269 1.672 -0.114 1.00 0.00 N
ATOM 276 CA VAL A 18 28.605 0.961 -1.210 1.00 0.00 C
ATOM 277 C VAL A 18 28.675 1.842 -2.432 1.00 0.00 C
ATOM 278 O VAL A 18 29.453 1.616 -3.321 1.00 0.00 O
ATOM 279 CB VAL A 18 27.156 0.779 -0.792 1.00 0.00 C
ATOM 280 CG1 VAL A 18 26.262 0.643 -2.022 1.00 0.00 C
ATOM 281 CG2 VAL A 18 27.060 -0.457 0.090 1.00 0.00 C
ATOM 282 H VAL A 18 28.790 1.787 0.732 1.00 0.00 H
ATOM 283 HA VAL A 18 29.077 0.004 -1.400 1.00 0.00 H
ATOM 284 HB VAL A 18 26.845 1.648 -0.222 1.00 0.00 H
ATOM 285 HG11 VAL A 18 26.857 0.313 -2.861 1.00 0.00 H
ATOM 286 HG12 VAL A 18 25.481 -0.070 -1.826 1.00 0.00 H
ATOM 287 HG13 VAL A 18 25.826 1.606 -2.248 1.00 0.00 H
ATOM 288 HG21 VAL A 18 28.056 -0.761 0.381 1.00 0.00 H
ATOM 289 HG22 VAL A 18 26.484 -0.221 0.972 1.00 0.00 H
ATOM 290 HG23 VAL A 18 26.582 -1.252 -0.456 1.00 0.00 H
ATOM 291 N PHE A 19 27.851 2.847 -2.445 1.00 0.00 N
ATOM 292 CA PHE A 19 27.818 3.819 -3.593 1.00 0.00 C
ATOM 293 C PHE A 19 29.194 3.863 -4.269 1.00 0.00 C
ATOM 294 O PHE A 19 29.306 3.845 -5.477 1.00 0.00 O
ATOM 295 CB PHE A 19 27.465 5.215 -3.070 1.00 0.00 C
ATOM 296 CG PHE A 19 26.497 5.883 -4.017 1.00 0.00 C
ATOM 297 CD1 PHE A 19 26.579 5.639 -5.394 1.00 0.00 C
ATOM 298 CD2 PHE A 19 25.517 6.749 -3.518 1.00 0.00 C
ATOM 299 CE1 PHE A 19 25.680 6.261 -6.270 1.00 0.00 C
ATOM 300 CE2 PHE A 19 24.619 7.371 -4.394 1.00 0.00 C
ATOM 301 CZ PHE A 19 24.701 7.127 -5.770 1.00 0.00 C
ATOM 302 H PHE A 19 27.243 2.959 -1.677 1.00 0.00 H
ATOM 303 HA PHE A 19 27.075 3.502 -4.313 1.00 0.00 H
ATOM 304 HB2 PHE A 19 27.011 5.129 -2.093 1.00 0.00 H
ATOM 305 HB3 PHE A 19 28.363 5.810 -2.997 1.00 0.00 H
ATOM 306 HD1 PHE A 19 27.334 4.971 -5.780 1.00 0.00 H
ATOM 307 HD2 PHE A 19 25.454 6.938 -2.457 1.00 0.00 H
ATOM 308 HE1 PHE A 19 25.743 6.073 -7.332 1.00 0.00 H
ATOM 309 HE2 PHE A 19 23.863 8.039 -4.008 1.00 0.00 H
ATOM 310 HZ PHE A 19 24.007 7.606 -6.445 1.00 0.00 H
ATOM 311 N PHE A 20 30.242 3.873 -3.486 1.00 0.00 N
ATOM 312 CA PHE A 20 31.613 3.863 -4.068 1.00 0.00 C
ATOM 313 C PHE A 20 31.769 2.552 -4.848 1.00 0.00 C
ATOM 314 O PHE A 20 31.931 2.537 -6.052 1.00 0.00 O
ATOM 315 CB PHE A 20 32.637 3.918 -2.925 1.00 0.00 C
ATOM 316 CG PHE A 20 33.852 4.704 -3.361 1.00 0.00 C
ATOM 317 CD1 PHE A 20 33.752 6.083 -3.584 1.00 0.00 C
ATOM 318 CD2 PHE A 20 35.080 4.054 -3.538 1.00 0.00 C
ATOM 319 CE1 PHE A 20 34.879 6.811 -3.985 1.00 0.00 C
ATOM 320 CE2 PHE A 20 36.206 4.782 -3.938 1.00 0.00 C
ATOM 321 CZ PHE A 20 36.106 6.160 -4.161 1.00 0.00 C
ATOM 322 H PHE A 20 30.124 3.853 -2.514 1.00 0.00 H
ATOM 323 HA PHE A 20 31.744 4.707 -4.730 1.00 0.00 H
ATOM 324 HB2 PHE A 20 32.189 4.397 -2.065 1.00 0.00 H
ATOM 325 HB3 PHE A 20 32.935 2.914 -2.658 1.00 0.00 H
ATOM 326 HD1 PHE A 20 32.805 6.585 -3.447 1.00 0.00 H
ATOM 327 HD2 PHE A 20 35.158 2.991 -3.366 1.00 0.00 H
ATOM 328 HE1 PHE A 20 34.801 7.874 -4.157 1.00 0.00 H
ATOM 329 HE2 PHE A 20 37.153 4.281 -4.073 1.00 0.00 H
ATOM 330 HZ PHE A 20 36.976 6.722 -4.469 1.00 0.00 H
ATOM 331 N ALA A 21 31.682 1.453 -4.152 1.00 0.00 N
ATOM 332 CA ALA A 21 31.775 0.114 -4.793 1.00 0.00 C
ATOM 333 C ALA A 21 30.954 0.103 -6.085 1.00 0.00 C
ATOM 334 O ALA A 21 31.400 -0.354 -7.119 1.00 0.00 O
ATOM 335 CB ALA A 21 31.182 -0.913 -3.825 1.00 0.00 C
ATOM 336 H ALA A 21 31.528 1.509 -3.192 1.00 0.00 H
ATOM 337 HA ALA A 21 32.805 -0.130 -5.002 1.00 0.00 H
ATOM 338 HB1 ALA A 21 30.826 -0.404 -2.938 1.00 0.00 H
ATOM 339 HB2 ALA A 21 30.355 -1.420 -4.300 1.00 0.00 H
ATOM 340 HB3 ALA A 21 31.937 -1.630 -3.548 1.00 0.00 H
ATOM 341 N GLU A 22 29.747 0.590 -6.017 1.00 0.00 N
ATOM 342 CA GLU A 22 28.862 0.614 -7.211 1.00 0.00 C
ATOM 343 C GLU A 22 29.547 1.369 -8.355 1.00 0.00 C
ATOM 344 O GLU A 22 29.566 0.919 -9.484 1.00 0.00 O
ATOM 345 CB GLU A 22 27.556 1.320 -6.853 1.00 0.00 C
ATOM 346 CG GLU A 22 26.858 0.561 -5.725 1.00 0.00 C
ATOM 347 CD GLU A 22 25.529 1.251 -5.410 1.00 0.00 C
ATOM 348 OE1 GLU A 22 24.808 1.557 -6.346 1.00 0.00 O
ATOM 349 OE2 GLU A 22 25.255 1.462 -4.242 1.00 0.00 O
ATOM 350 H GLU A 22 29.417 0.931 -5.169 1.00 0.00 H
ATOM 351 HA GLU A 22 28.646 -0.395 -7.514 1.00 0.00 H
ATOM 352 HB2 GLU A 22 27.772 2.326 -6.530 1.00 0.00 H
ATOM 353 HB3 GLU A 22 26.912 1.351 -7.716 1.00 0.00 H
ATOM 354 HG2 GLU A 22 26.664 -0.470 -6.040 1.00 0.00 H
ATOM 355 HG3 GLU A 22 27.495 0.575 -4.839 1.00 0.00 H
ATOM 356 N ASP A 23 30.102 2.519 -8.074 1.00 0.00 N
ATOM 357 CA ASP A 23 30.778 3.308 -9.145 1.00 0.00 C
ATOM 358 C ASP A 23 32.267 2.990 -9.154 1.00 0.00 C
ATOM 359 O ASP A 23 33.067 3.685 -9.749 1.00 0.00 O
ATOM 360 CB ASP A 23 30.578 4.796 -8.878 1.00 0.00 C
ATOM 361 CG ASP A 23 29.918 5.455 -10.091 1.00 0.00 C
ATOM 362 OD1 ASP A 23 29.829 4.804 -11.119 1.00 0.00 O
ATOM 363 OD2 ASP A 23 29.514 6.600 -9.972 1.00 0.00 O
ATOM 364 H ASP A 23 30.070 2.866 -7.159 1.00 0.00 H
ATOM 365 HA ASP A 23 30.356 3.047 -10.097 1.00 0.00 H
ATOM 366 HB2 ASP A 23 29.947 4.916 -8.011 1.00 0.00 H
ATOM 367 HB3 ASP A 23 31.534 5.262 -8.693 1.00 0.00 H
ATOM 368 N VAL A 24 32.632 1.941 -8.496 1.00 0.00 N
ATOM 369 CA VAL A 24 34.041 1.533 -8.432 1.00 0.00 C
ATOM 370 C VAL A 24 34.324 0.536 -9.563 1.00 0.00 C
ATOM 371 O VAL A 24 34.888 0.882 -10.581 1.00 0.00 O
ATOM 372 CB VAL A 24 34.257 0.884 -7.075 1.00 0.00 C
ATOM 373 CG1 VAL A 24 35.491 0.024 -7.140 1.00 0.00 C
ATOM 374 CG2 VAL A 24 34.441 1.967 -6.010 1.00 0.00 C
ATOM 375 H VAL A 24 31.971 1.410 -8.032 1.00 0.00 H
ATOM 376 HA VAL A 24 34.688 2.387 -8.527 1.00 0.00 H
ATOM 377 HB VAL A 24 33.402 0.272 -6.827 1.00 0.00 H
ATOM 378 HG11 VAL A 24 36.214 0.504 -7.783 1.00 0.00 H
ATOM 379 HG12 VAL A 24 35.894 -0.090 -6.152 1.00 0.00 H
ATOM 380 HG13 VAL A 24 35.225 -0.938 -7.545 1.00 0.00 H
ATOM 381 HG21 VAL A 24 34.016 2.895 -6.363 1.00 0.00 H
ATOM 382 HG22 VAL A 24 33.944 1.665 -5.100 1.00 0.00 H
ATOM 383 HG23 VAL A 24 35.495 2.106 -5.816 1.00 0.00 H
ATOM 384 N GLY A 25 33.935 -0.698 -9.389 1.00 0.00 N
ATOM 385 CA GLY A 25 34.181 -1.714 -10.451 1.00 0.00 C
ATOM 386 C GLY A 25 34.982 -2.878 -9.867 1.00 0.00 C
ATOM 387 O GLY A 25 34.653 -4.031 -10.063 1.00 0.00 O
ATOM 388 H GLY A 25 33.481 -0.956 -8.560 1.00 0.00 H
ATOM 389 HA2 GLY A 25 33.234 -2.077 -10.826 1.00 0.00 H
ATOM 390 HA3 GLY A 25 34.741 -1.265 -11.257 1.00 0.00 H
ATOM 391 N SER A 26 36.031 -2.586 -9.147 1.00 0.00 N
ATOM 392 CA SER A 26 36.850 -3.677 -8.548 1.00 0.00 C
ATOM 393 C SER A 26 38.197 -3.116 -8.089 1.00 0.00 C
ATOM 394 O SER A 26 39.243 -3.639 -8.418 1.00 0.00 O
ATOM 395 CB SER A 26 37.083 -4.773 -9.588 1.00 0.00 C
ATOM 396 OG SER A 26 36.142 -5.818 -9.386 1.00 0.00 O
ATOM 397 H SER A 26 36.279 -1.650 -8.999 1.00 0.00 H
ATOM 398 HA SER A 26 36.327 -4.094 -7.700 1.00 0.00 H
ATOM 399 HB2 SER A 26 36.955 -4.366 -10.578 1.00 0.00 H
ATOM 400 HB3 SER A 26 38.090 -5.155 -9.485 1.00 0.00 H
ATOM 401 HG SER A 26 35.921 -5.843 -8.452 1.00 0.00 H
ATOM 402 N ASN A 27 38.180 -2.057 -7.328 1.00 0.00 N
ATOM 403 CA ASN A 27 39.456 -1.464 -6.843 1.00 0.00 C
ATOM 404 C ASN A 27 39.405 -1.343 -5.315 1.00 0.00 C
ATOM 405 O ASN A 27 38.933 -2.233 -4.634 1.00 0.00 O
ATOM 406 CB ASN A 27 39.645 -0.081 -7.472 1.00 0.00 C
ATOM 407 CG ASN A 27 39.631 -0.212 -8.997 1.00 0.00 C
ATOM 408 OD1 ASN A 27 38.834 0.415 -9.665 1.00 0.00 O
ATOM 409 ND2 ASN A 27 40.487 -1.006 -9.579 1.00 0.00 N
ATOM 410 H ASN A 27 37.325 -1.651 -7.072 1.00 0.00 H
ATOM 411 HA ASN A 27 40.280 -2.104 -7.125 1.00 0.00 H
ATOM 412 HB2 ASN A 27 38.823 0.573 -7.157 1.00 0.00 H
ATOM 413 HB3 ASN A 27 40.610 0.330 -7.154 1.00 0.00 H
ATOM 414 HD21 ASN A 27 41.142 -1.521 -9.021 1.00 0.00 H
ATOM 415 HD22 ASN A 27 40.480 -1.093 -10.578 1.00 0.00 H
ATOM 416 N LYS A 28 39.881 -0.257 -4.765 1.00 0.00 N
ATOM 417 CA LYS A 28 39.849 -0.100 -3.284 1.00 0.00 C
ATOM 418 C LYS A 28 38.722 0.860 -2.896 1.00 0.00 C
ATOM 419 O LYS A 28 38.240 1.626 -3.707 1.00 0.00 O
ATOM 420 CB LYS A 28 41.187 0.465 -2.802 1.00 0.00 C
ATOM 421 CG LYS A 28 42.145 -0.687 -2.494 1.00 0.00 C
ATOM 422 CD LYS A 28 43.282 -0.182 -1.604 1.00 0.00 C
ATOM 423 CE LYS A 28 44.579 -0.128 -2.414 1.00 0.00 C
ATOM 424 NZ LYS A 28 45.678 0.402 -1.558 1.00 0.00 N
ATOM 425 H LYS A 28 40.258 0.453 -5.323 1.00 0.00 H
ATOM 426 HA LYS A 28 39.677 -1.061 -2.823 1.00 0.00 H
ATOM 427 HB2 LYS A 28 41.612 1.091 -3.574 1.00 0.00 H
ATOM 428 HB3 LYS A 28 41.031 1.050 -1.908 1.00 0.00 H
ATOM 429 HG2 LYS A 28 41.609 -1.474 -1.984 1.00 0.00 H
ATOM 430 HG3 LYS A 28 42.556 -1.070 -3.416 1.00 0.00 H
ATOM 431 HD2 LYS A 28 43.042 0.806 -1.239 1.00 0.00 H
ATOM 432 HD3 LYS A 28 43.410 -0.853 -0.768 1.00 0.00 H
ATOM 433 HE2 LYS A 28 44.833 -1.122 -2.752 1.00 0.00 H
ATOM 434 HE3 LYS A 28 44.443 0.519 -3.267 1.00 0.00 H
ATOM 435 HZ1 LYS A 28 45.304 0.628 -0.613 1.00 0.00 H
ATOM 436 HZ2 LYS A 28 46.428 -0.313 -1.472 1.00 0.00 H
ATOM 437 HZ3 LYS A 28 46.071 1.262 -1.991 1.00 0.00 H
ATOM 438 N GLY A 29 38.296 0.825 -1.662 1.00 0.00 N
ATOM 439 CA GLY A 29 37.200 1.735 -1.228 1.00 0.00 C
ATOM 440 C GLY A 29 37.658 2.541 -0.012 1.00 0.00 C
ATOM 441 O GLY A 29 38.227 3.607 -0.139 1.00 0.00 O
ATOM 442 H GLY A 29 38.696 0.200 -1.022 1.00 0.00 H
ATOM 443 HA2 GLY A 29 36.952 2.408 -2.036 1.00 0.00 H
ATOM 444 HA3 GLY A 29 36.331 1.152 -0.964 1.00 0.00 H
ATOM 445 N ALA A 30 37.409 2.042 1.167 1.00 0.00 N
ATOM 446 CA ALA A 30 37.823 2.776 2.391 1.00 0.00 C
ATOM 447 C ALA A 30 38.507 1.812 3.363 1.00 0.00 C
ATOM 448 O ALA A 30 39.712 1.656 3.356 1.00 0.00 O
ATOM 449 CB ALA A 30 36.584 3.366 3.056 1.00 0.00 C
ATOM 450 H ALA A 30 36.945 1.186 1.249 1.00 0.00 H
ATOM 451 HA ALA A 30 38.505 3.571 2.126 1.00 0.00 H
ATOM 452 HB1 ALA A 30 35.714 2.797 2.760 1.00 0.00 H
ATOM 453 HB2 ALA A 30 36.696 3.320 4.129 1.00 0.00 H
ATOM 454 HB3 ALA A 30 36.464 4.393 2.748 1.00 0.00 H
ATOM 455 N ILE A 31 37.743 1.166 4.201 1.00 0.00 N
ATOM 456 CA ILE A 31 38.332 0.217 5.177 1.00 0.00 C
ATOM 457 C ILE A 31 38.654 -1.101 4.473 1.00 0.00 C
ATOM 458 O ILE A 31 39.542 -1.829 4.871 1.00 0.00 O
ATOM 459 CB ILE A 31 37.337 -0.052 6.312 1.00 0.00 C
ATOM 460 CG1 ILE A 31 36.249 1.026 6.361 1.00 0.00 C
ATOM 461 CG2 ILE A 31 38.086 -0.042 7.631 1.00 0.00 C
ATOM 462 CD1 ILE A 31 35.036 0.561 5.554 1.00 0.00 C
ATOM 463 H ILE A 31 36.780 1.307 4.192 1.00 0.00 H
ATOM 464 HA ILE A 31 39.239 0.638 5.586 1.00 0.00 H
ATOM 465 HB ILE A 31 36.880 -1.019 6.163 1.00 0.00 H
ATOM 466 HG12 ILE A 31 35.957 1.195 7.388 1.00 0.00 H
ATOM 467 HG13 ILE A 31 36.631 1.944 5.939 1.00 0.00 H
ATOM 468 HG21 ILE A 31 38.957 0.591 7.539 1.00 0.00 H
ATOM 469 HG22 ILE A 31 37.440 0.341 8.404 1.00 0.00 H
ATOM 470 HG23 ILE A 31 38.391 -1.046 7.876 1.00 0.00 H
ATOM 471 HD11 ILE A 31 35.288 -0.339 5.012 1.00 0.00 H
ATOM 472 HD12 ILE A 31 34.213 0.360 6.224 1.00 0.00 H
ATOM 473 HD13 ILE A 31 34.751 1.334 4.855 1.00 0.00 H
ATOM 474 N ILE A 32 37.937 -1.416 3.431 1.00 0.00 N
ATOM 475 CA ILE A 32 38.200 -2.689 2.703 1.00 0.00 C
ATOM 476 C ILE A 32 39.637 -2.688 2.193 1.00 0.00 C
ATOM 477 O ILE A 32 40.364 -3.647 2.338 1.00 0.00 O
ATOM 478 CB ILE A 32 37.229 -2.811 1.530 1.00 0.00 C
ATOM 479 CG1 ILE A 32 37.701 -1.955 0.349 1.00 0.00 C
ATOM 480 CG2 ILE A 32 35.866 -2.317 1.985 1.00 0.00 C
ATOM 481 CD1 ILE A 32 36.695 -2.071 -0.797 1.00 0.00 C
ATOM 482 H ILE A 32 37.225 -0.815 3.128 1.00 0.00 H
ATOM 483 HA ILE A 32 38.054 -3.521 3.375 1.00 0.00 H
ATOM 484 HB ILE A 32 37.156 -3.846 1.226 1.00 0.00 H
ATOM 485 HG12 ILE A 32 37.774 -0.923 0.660 1.00 0.00 H
ATOM 486 HG13 ILE A 32 38.667 -2.302 0.015 1.00 0.00 H
ATOM 487 HG21 ILE A 32 35.878 -2.184 3.057 1.00 0.00 H
ATOM 488 HG22 ILE A 32 35.652 -1.374 1.507 1.00 0.00 H
ATOM 489 HG23 ILE A 32 35.115 -3.041 1.717 1.00 0.00 H
ATOM 490 HD11 ILE A 32 36.442 -3.110 -0.950 1.00 0.00 H
ATOM 491 HD12 ILE A 32 35.802 -1.517 -0.550 1.00 0.00 H
ATOM 492 HD13 ILE A 32 37.130 -1.670 -1.701 1.00 0.00 H
ATOM 493 N GLY A 33 40.043 -1.608 1.593 1.00 0.00 N
ATOM 494 CA GLY A 33 41.435 -1.523 1.064 1.00 0.00 C
ATOM 495 C GLY A 33 42.430 -1.877 2.174 1.00 0.00 C
ATOM 496 O GLY A 33 43.534 -2.311 1.914 1.00 0.00 O
ATOM 497 H GLY A 33 39.428 -0.850 1.490 1.00 0.00 H
ATOM 498 HA2 GLY A 33 41.549 -2.215 0.242 1.00 0.00 H
ATOM 499 HA3 GLY A 33 41.628 -0.519 0.719 1.00 0.00 H
ATOM 500 N LEU A 34 42.049 -1.694 3.411 1.00 0.00 N
ATOM 501 CA LEU A 34 42.976 -2.020 4.534 1.00 0.00 C
ATOM 502 C LEU A 34 42.970 -3.524 4.788 1.00 0.00 C
ATOM 503 O LEU A 34 43.946 -4.211 4.561 1.00 0.00 O
ATOM 504 CB LEU A 34 42.515 -1.303 5.796 1.00 0.00 C
ATOM 505 CG LEU A 34 42.656 0.195 5.584 1.00 0.00 C
ATOM 506 CD1 LEU A 34 42.449 0.917 6.914 1.00 0.00 C
ATOM 507 CD2 LEU A 34 44.058 0.505 5.047 1.00 0.00 C
ATOM 508 H LEU A 34 41.155 -1.342 3.601 1.00 0.00 H
ATOM 509 HA LEU A 34 43.972 -1.689 4.286 1.00 0.00 H
ATOM 510 HB2 LEU A 34 41.481 -1.548 5.994 1.00 0.00 H
ATOM 511 HB3 LEU A 34 43.127 -1.608 6.631 1.00 0.00 H
ATOM 512 HG LEU A 34 41.913 0.518 4.869 1.00 0.00 H
ATOM 513 HD11 LEU A 34 42.072 0.218 7.646 1.00 0.00 H
ATOM 514 HD12 LEU A 34 43.392 1.320 7.254 1.00 0.00 H
ATOM 515 HD13 LEU A 34 41.741 1.720 6.781 1.00 0.00 H
ATOM 516 HD21 LEU A 34 44.757 -0.228 5.422 1.00 0.00 H
ATOM 517 HD22 LEU A 34 44.046 0.470 3.967 1.00 0.00 H
ATOM 518 HD23 LEU A 34 44.360 1.489 5.372 1.00 0.00 H
ATOM 519 N MET A 35 41.872 -4.035 5.265 1.00 0.00 N
ATOM 520 CA MET A 35 41.781 -5.496 5.549 1.00 0.00 C
ATOM 521 C MET A 35 42.250 -6.290 4.326 1.00 0.00 C
ATOM 522 O MET A 35 42.615 -7.444 4.424 1.00 0.00 O
ATOM 523 CB MET A 35 40.328 -5.860 5.875 1.00 0.00 C
ATOM 524 CG MET A 35 39.494 -5.867 4.591 1.00 0.00 C
ATOM 525 SD MET A 35 37.861 -6.565 4.944 1.00 0.00 S
ATOM 526 CE MET A 35 37.142 -5.090 5.704 1.00 0.00 C
ATOM 527 H MET A 35 41.102 -3.452 5.442 1.00 0.00 H
ATOM 528 HA MET A 35 42.409 -5.736 6.394 1.00 0.00 H
ATOM 529 HB2 MET A 35 40.297 -6.848 6.331 1.00 0.00 H
ATOM 530 HB3 MET A 35 39.919 -5.119 6.561 1.00 0.00 H
ATOM 531 HG2 MET A 35 39.378 -4.847 4.230 1.00 0.00 H
ATOM 532 HG3 MET A 35 39.991 -6.477 3.839 1.00 0.00 H
ATOM 533 HE1 MET A 35 37.856 -4.283 5.675 1.00 0.00 H
ATOM 534 HE2 MET A 35 36.253 -4.802 5.159 1.00 0.00 H
ATOM 535 HE3 MET A 35 36.886 -5.305 6.733 1.00 0.00 H
ATOM 536 N VAL A 36 42.232 -5.680 3.173 1.00 0.00 N
ATOM 537 CA VAL A 36 42.657 -6.375 1.945 1.00 0.00 C
ATOM 538 C VAL A 36 44.168 -6.204 1.750 1.00 0.00 C
ATOM 539 O VAL A 36 44.668 -6.210 0.643 1.00 0.00 O
ATOM 540 CB VAL A 36 41.909 -5.742 0.781 1.00 0.00 C
ATOM 541 CG1 VAL A 36 42.396 -6.348 -0.518 1.00 0.00 C
ATOM 542 CG2 VAL A 36 40.409 -5.999 0.937 1.00 0.00 C
ATOM 543 H VAL A 36 41.928 -4.759 3.108 1.00 0.00 H
ATOM 544 HA VAL A 36 42.411 -7.422 2.010 1.00 0.00 H
ATOM 545 HB VAL A 36 42.094 -4.679 0.773 1.00 0.00 H
ATOM 546 HG11 VAL A 36 42.699 -7.367 -0.342 1.00 0.00 H
ATOM 547 HG12 VAL A 36 41.598 -6.325 -1.242 1.00 0.00 H
ATOM 548 HG13 VAL A 36 43.235 -5.775 -0.881 1.00 0.00 H
ATOM 549 HG21 VAL A 36 40.121 -5.833 1.965 1.00 0.00 H
ATOM 550 HG22 VAL A 36 39.859 -5.326 0.296 1.00 0.00 H
ATOM 551 HG23 VAL A 36 40.187 -7.019 0.662 1.00 0.00 H
ATOM 552 N GLY A 37 44.900 -6.049 2.818 1.00 0.00 N
ATOM 553 CA GLY A 37 46.374 -5.877 2.690 1.00 0.00 C
ATOM 554 C GLY A 37 47.051 -6.307 3.992 1.00 0.00 C
ATOM 555 O GLY A 37 47.917 -5.628 4.507 1.00 0.00 O
ATOM 556 H GLY A 37 44.481 -6.046 3.702 1.00 0.00 H
ATOM 557 HA2 GLY A 37 46.738 -6.495 1.871 1.00 0.00 H
ATOM 558 HA3 GLY A 37 46.599 -4.830 2.499 1.00 0.00 H
ATOM 559 N GLY A 38 46.664 -7.432 4.529 1.00 0.00 N
ATOM 560 CA GLY A 38 47.285 -7.906 5.797 1.00 0.00 C
ATOM 561 C GLY A 38 47.111 -9.421 5.918 1.00 0.00 C
ATOM 562 O GLY A 38 48.047 -10.178 5.757 1.00 0.00 O
ATOM 563 H GLY A 38 45.964 -7.965 4.097 1.00 0.00 H
ATOM 564 HA2 GLY A 38 48.338 -7.662 5.796 1.00 0.00 H
ATOM 565 HA3 GLY A 38 46.805 -7.425 6.636 1.00 0.00 H
ATOM 566 N VAL A 39 45.918 -9.870 6.201 1.00 0.00 N
ATOM 567 CA VAL A 39 45.684 -11.336 6.334 1.00 0.00 C
ATOM 568 C VAL A 39 44.882 -11.838 5.130 1.00 0.00 C
ATOM 569 O VAL A 39 45.038 -12.962 4.695 1.00 0.00 O
ATOM 570 CB VAL A 39 44.898 -11.612 7.617 1.00 0.00 C
ATOM 571 CG1 VAL A 39 45.855 -11.629 8.811 1.00 0.00 C
ATOM 572 CG2 VAL A 39 43.851 -10.513 7.819 1.00 0.00 C
ATOM 573 H VAL A 39 45.176 -9.242 6.328 1.00 0.00 H
ATOM 574 HA VAL A 39 46.632 -11.850 6.375 1.00 0.00 H
ATOM 575 HB VAL A 39 44.405 -12.570 7.538 1.00 0.00 H
ATOM 576 HG11 VAL A 39 46.868 -11.755 8.459 1.00 0.00 H
ATOM 577 HG12 VAL A 39 45.774 -10.697 9.351 1.00 0.00 H
ATOM 578 HG13 VAL A 39 45.597 -12.448 9.466 1.00 0.00 H
ATOM 579 HG21 VAL A 39 43.261 -10.409 6.920 1.00 0.00 H
ATOM 580 HG22 VAL A 39 43.206 -10.777 8.644 1.00 0.00 H
ATOM 581 HG23 VAL A 39 44.347 -9.578 8.034 1.00 0.00 H
ATOM 582 N VAL A 40 44.024 -11.016 4.589 1.00 0.00 N
ATOM 583 CA VAL A 40 43.212 -11.451 3.417 1.00 0.00 C
ATOM 584 C VAL A 40 43.341 -10.419 2.294 1.00 0.00 C
ATOM 585 O VAL A 40 43.317 -9.238 2.597 1.00 0.00 O
ATOM 586 CB VAL A 40 41.744 -11.574 3.830 1.00 0.00 C
ATOM 587 CG1 VAL A 40 41.636 -12.455 5.076 1.00 0.00 C
ATOM 588 CG2 VAL A 40 41.184 -10.183 4.140 1.00 0.00 C
ATOM 589 OXT VAL A 40 43.461 -10.828 1.151 1.00 0.00 O
ATOM 590 H VAL A 40 43.911 -10.115 4.956 1.00 0.00 H
ATOM 591 HA VAL A 40 43.569 -12.410 3.068 1.00 0.00 H
ATOM 592 HB VAL A 40 41.180 -12.021 3.025 1.00 0.00 H
ATOM 593 HG11 VAL A 40 42.413 -13.205 5.054 1.00 0.00 H
ATOM 594 HG12 VAL A 40 41.751 -11.845 5.959 1.00 0.00 H
ATOM 595 HG13 VAL A 40 40.670 -12.937 5.093 1.00 0.00 H
ATOM 596 HG21 VAL A 40 41.315 -9.543 3.280 1.00 0.00 H
ATOM 597 HG22 VAL A 40 40.132 -10.262 4.372 1.00 0.00 H
ATOM 598 HG23 VAL A 40 41.708 -9.763 4.985 1.00 0.00 H
TER 599 VAL A 40
ENDMDL
MODEL 2
ATOM 1 N ASP A 1 11.539 -11.544 8.297 1.00 0.00 N
ATOM 2 CA ASP A 1 11.860 -10.941 6.972 1.00 0.00 C
ATOM 3 C ASP A 1 13.003 -9.936 7.132 1.00 0.00 C
ATOM 4 O ASP A 1 12.812 -8.828 7.592 1.00 0.00 O
ATOM 5 CB ASP A 1 10.626 -10.224 6.424 1.00 0.00 C
ATOM 6 CG ASP A 1 9.438 -11.187 6.416 1.00 0.00 C
ATOM 7 OD1 ASP A 1 9.265 -11.875 5.424 1.00 0.00 O
ATOM 8 OD2 ASP A 1 8.722 -11.221 7.403 1.00 0.00 O
ATOM 9 H1 ASP A 1 12.372 -11.486 8.915 1.00 0.00 H
ATOM 10 H2 ASP A 1 10.748 -11.026 8.731 1.00 0.00 H
ATOM 11 H3 ASP A 1 11.274 -12.541 8.168 1.00 0.00 H
ATOM 12 HA ASP A 1 12.159 -11.718 6.285 1.00 0.00 H
ATOM 13 HB2 ASP A 1 10.400 -9.372 7.049 1.00 0.00 H
ATOM 14 HB3 ASP A 1 10.824 -9.891 5.416 1.00 0.00 H
ATOM 15 N ALA A 2 14.191 -10.320 6.756 1.00 0.00 N
ATOM 16 CA ALA A 2 15.352 -9.400 6.884 1.00 0.00 C
ATOM 17 C ALA A 2 15.428 -8.493 5.656 1.00 0.00 C
ATOM 18 O ALA A 2 15.134 -8.901 4.549 1.00 0.00 O
ATOM 19 CB ALA A 2 16.629 -10.232 6.983 1.00 0.00 C
ATOM 20 H ALA A 2 14.322 -11.218 6.391 1.00 0.00 H
ATOM 21 HA ALA A 2 15.242 -8.799 7.773 1.00 0.00 H
ATOM 22 HB1 ALA A 2 16.627 -10.986 6.210 1.00 0.00 H
ATOM 23 HB2 ALA A 2 17.486 -9.589 6.860 1.00 0.00 H
ATOM 24 HB3 ALA A 2 16.672 -10.710 7.951 1.00 0.00 H
ATOM 25 N GLU A 3 15.825 -7.264 5.843 1.00 0.00 N
ATOM 26 CA GLU A 3 15.925 -6.328 4.688 1.00 0.00 C
ATOM 27 C GLU A 3 17.396 -5.991 4.439 1.00 0.00 C
ATOM 28 O GLU A 3 17.949 -5.094 5.045 1.00 0.00 O
ATOM 29 CB GLU A 3 15.152 -5.047 5.003 1.00 0.00 C