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TITLE TORPEDO CALIFORNICA ACHR RECEPTOR [ALA76] ANALOGUE
TITLE 2 COMPLEXED WITH THE ANTI-ACETYLCHOLINE MAB6 MONOCLONAL
TITLE 3 ANTIBODY
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACETYLCHOLINE RECEPTOR [ALA76] MIR ANALOGUE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ALPHA 67-76 DOMAIN OF THE ACETYLCHOLINE RECEPTOR
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA;
SOURCE 3 ORGANISM_COMMON: PACIFIC ELECTRIC RAY;
SOURCE 4 ORGANISM_TAXID: 7787
KEYWDS TRANSMEMBRANE PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 3
AUTHOR P.ORLEWSKI,V.TSIKARIS,C.SAKARELLOS,M.SAKARELLOS-DAISTIOTIS,
AUTHOR 2 E.VATZAKI,S.J.TZARTOS,M.MARRAUD,M.T.CUNG
REVDAT 2 24-FEB-09 1TOS 1 VERSN
REVDAT 1 08-MAR-96 1TOS 0
JRNL AUTH P.ORLEWSKI,M.MARRAUD,M.T.CUNG,V.TSIKARIS,
JRNL AUTH 2 M.SAKARELLOS-DAITSIOTIS,C.SAKARELLOS,E.VATZAKI,
JRNL AUTH 3 S.J.TZARTOS
JRNL TITL COMPARED STRUCTURES OF THE FREE NICOTINIC
JRNL TITL 2 ACETYLCHOLINE RECEPTOR MAIN IMMUNOGENIC REGION
JRNL TITL 3 (MIR) DECAPEPTIDE AND THE ANTIBODY-BOUND [A76]MIR
JRNL TITL 4 ANALOGUE: A MOLECULAR DYNAMICS SIMULATION FROM
JRNL TITL 5 TWO-DIMENSIONAL NMR DATA.
JRNL REF BIOPOLYMERS V. 40 419 1996
JRNL REFN ISSN 0006-3525
JRNL PMID 9062066
JRNL DOI 10.1002/(SICI)1097-0282(1996)40:5<419::AID-BIP1>3.0
JRNL DOI 2 .CO;2-Z
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH V.TSIKARIS,E.DESTICAS,M.SAKARELLOS-DAISTIOTIS,
REMARK 1 AUTH 2 C.SAKARELLOS,M.T.CUNG,M.MARRAUD,E.VATZAKI,
REMARK 1 AUTH 3 S.J.TZARTOS
REMARK 1 TITL CONFORMATIONAL REQUIREMENTS FOR MOLECULAR
REMARK 1 TITL 2 RECOGNITION OF ACETYLCHOLINE RECEPTOR MAIN
REMARK 1 TITL 3 IMMUNOGENIC REGION (MIR) ANALOGUES BY MONOCLONAL
REMARK 1 TITL 4 ANTI-MIR ANTIBODY: A TWO-DIMENSIONAL NUCLEAR
REMARK 1 TITL 5 MAGNETIC RESONANCE AND MOLECULAR DYNAMICS APPROACH
REMARK 1 REF BIOPOLYMERS V. 33 1123 1993
REMARK 1 REFN ISSN 0006-3525
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.T.CUNG,V.TSIKARIS,P.DEMANGE,I.PAPADOULI,
REMARK 1 AUTH 2 S.TZARTOS,C.SAKARELLOS,M.MARRAUD
REMARK 1 TITL 2D-NMR AND MOLECULAR DYNAMICS ANALYSIS OF THE
REMARK 1 TITL 2 TORPEDO CALIFORNICA ACETYLCHOLINE RECEPTOR
REMARK 1 TITL 3 ALPHA67-76 FRAGMENT AND OF ITS [ALA76]-ANALOGUE
REMARK 1 REF PEPT.RES. V. 5 14 1992
REMARK 1 REFN ISSN 1040-5704
REMARK 1 REFERENCE 3
REMARK 1 AUTH M.T.CUNG,P.DEMANGE,M.MARRAUD,V.TSIKARIS,
REMARK 1 AUTH 2 I.PAPADOULI,C.SAKARELLOS,A.KOKLA,S.J.TZARTOS
REMARK 1 TITL TWO-DIMENSIONAL 1H-NMR STUDY OF ANTIGEN-ANTIBODY
REMARK 1 TITL 2 INTERACTIONS: BINDING OF SYNTHETIC DECAPEPTIDES TO
REMARK 1 TITL 3 AN ANTI-ACETYLCHOLINE RECEPTOR MONOCLONAL ANTIBODY
REMARK 1 REF BIOPOLYMERS V. 31 769 1991
REMARK 1 REFN ISSN 0006-3525
REMARK 1 REFERENCE 4
REMARK 1 AUTH M.T.CUNG,M.MARRAUD,I.HADJIDAKIS,E.BAIRAKTARI,
REMARK 1 AUTH 2 C.SAKARELLOS,A.KOKLA,S.J TZARTOS
REMARK 1 TITL TWO-DIMENSIONAL 1H-NMR STUDY OF SYNTHETIC PEPTIDES
REMARK 1 TITL 2 CONTAINING THE MAIN IMMUNOGENIC REGION OF THE
REMARK 1 TITL 3 TORPEDO ACETYLCHOLINE RECEPTOR
REMARK 1 REF BIOPOLYMERS V. 28 465 1989
REMARK 1 REFN ISSN 0006-3525
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII, DISCOVER 2.8
REMARK 3 AUTHORS : HAVEL (DGII), BIOSYM (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1TOS 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 : 3
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: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 TYR A 6 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 2 TRP A 1 CD1 - NE1 - CE2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 3 TYR A 6 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 2 ASP A 5 56.12 -104.09
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1TOS A 1 9 UNP P02710 ACHA_TORCA 91 99
SEQRES 1 A 10 TRP ASN PRO ALA ASP TYR GLY GLY ILE ALA
HELIX 1 1 PRO A 3 ASP A 5 5 3
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 TRP A 1 0.158 -5.942 -1.276 1.00 0.00 N
ATOM 2 CA TRP A 1 -0.403 -4.574 -1.286 1.00 0.00 C
ATOM 3 C TRP A 1 -1.389 -4.462 -0.100 1.00 0.00 C
ATOM 4 O TRP A 1 -2.549 -4.870 -0.187 1.00 0.00 O
ATOM 5 CB TRP A 1 -1.061 -4.265 -2.657 1.00 0.00 C
ATOM 6 CG TRP A 1 -0.080 -3.882 -3.780 1.00 0.00 C
ATOM 7 CD1 TRP A 1 1.195 -4.429 -4.038 1.00 0.00 C
ATOM 8 CD2 TRP A 1 -0.238 -2.879 -4.718 1.00 0.00 C
ATOM 9 NE1 TRP A 1 1.826 -3.776 -5.115 1.00 0.00 N
ATOM 10 CE2 TRP A 1 0.910 -2.810 -5.496 1.00 0.00 C
ATOM 11 CE3 TRP A 1 -1.281 -1.986 -4.914 1.00 0.00 C
ATOM 12 CZ2 TRP A 1 1.050 -1.827 -6.458 1.00 0.00 C
ATOM 13 CZ3 TRP A 1 -1.149 -1.034 -5.901 1.00 0.00 C
ATOM 14 CH2 TRP A 1 0.009 -0.948 -6.653 1.00 0.00 C
ATOM 15 H1 TRP A 1 -0.604 -6.628 -1.377 1.00 0.00 H
ATOM 16 H2 TRP A 1 0.821 -6.048 -2.057 1.00 0.00 H
ATOM 17 H3 TRP A 1 0.650 -6.106 -0.385 1.00 0.00 H
ATOM 18 HA TRP A 1 0.418 -3.850 -1.124 1.00 0.00 H
ATOM 19 HB2 TRP A 1 -1.693 -5.113 -2.981 1.00 0.00 H
ATOM 20 HB3 TRP A 1 -1.759 -3.419 -2.523 1.00 0.00 H
ATOM 21 HD1 TRP A 1 1.653 -5.218 -3.464 1.00 0.00 H
ATOM 22 HE1 TRP A 1 2.758 -3.949 -5.508 1.00 0.00 H
ATOM 23 HE3 TRP A 1 -2.163 -2.010 -4.298 1.00 0.00 H
ATOM 24 HZ2 TRP A 1 1.962 -1.720 -7.024 1.00 0.00 H
ATOM 25 HZ3 TRP A 1 -1.948 -0.328 -6.072 1.00 0.00 H
ATOM 26 HH2 TRP A 1 0.115 -0.167 -7.386 1.00 0.00 H
ATOM 27 N ASN A 2 -0.885 -3.935 1.027 1.00 0.00 N
ATOM 28 CA ASN A 2 -1.672 -3.846 2.282 1.00 0.00 C
ATOM 29 C ASN A 2 -1.982 -2.353 2.609 1.00 0.00 C
ATOM 30 O ASN A 2 -1.059 -1.539 2.549 1.00 0.00 O
ATOM 31 CB ASN A 2 -0.808 -4.495 3.392 1.00 0.00 C
ATOM 32 CG ASN A 2 -1.521 -4.639 4.744 1.00 0.00 C
ATOM 33 OD1 ASN A 2 -2.531 -5.331 4.868 1.00 0.00 O
ATOM 34 ND2 ASN A 2 -0.983 -4.026 5.786 1.00 0.00 N
ATOM 35 H ASN A 2 0.101 -3.654 0.977 1.00 0.00 H
ATOM 36 HA ASN A 2 -2.600 -4.434 2.178 1.00 0.00 H
ATOM 37 HB2 ASN A 2 -0.492 -5.508 3.076 1.00 0.00 H
ATOM 38 HB3 ASN A 2 0.134 -3.925 3.517 1.00 0.00 H
ATOM 39 HD21 ASN A 2 -0.129 -3.485 5.612 1.00 0.00 H
ATOM 40 HD22 ASN A 2 -1.453 -4.157 6.688 1.00 0.00 H
ATOM 41 N PRO A 3 -3.221 -1.942 2.985 1.00 0.00 N
ATOM 42 CA PRO A 3 -3.549 -0.526 3.302 1.00 0.00 C
ATOM 43 C PRO A 3 -2.613 0.294 4.224 1.00 0.00 C
ATOM 44 O PRO A 3 -2.347 1.465 3.946 1.00 0.00 O
ATOM 45 CB PRO A 3 -4.961 -0.659 3.888 1.00 0.00 C
ATOM 46 CG PRO A 3 -5.559 -1.830 3.114 1.00 0.00 C
ATOM 47 CD PRO A 3 -4.400 -2.826 3.032 1.00 0.00 C
ATOM 48 HA PRO A 3 -3.615 0.008 2.342 1.00 0.00 H
ATOM 49 HB2 PRO A 3 -4.918 -0.912 4.963 1.00 0.00 H
ATOM 50 HB3 PRO A 3 -5.543 0.272 3.796 1.00 0.00 H
ATOM 51 HG2 PRO A 3 -6.466 -2.254 3.585 1.00 0.00 H
ATOM 52 HG3 PRO A 3 -5.839 -1.499 2.096 1.00 0.00 H
ATOM 53 HD2 PRO A 3 -4.355 -3.470 3.930 1.00 0.00 H
ATOM 54 HD3 PRO A 3 -4.508 -3.467 2.138 1.00 0.00 H
ATOM 55 N ALA A 4 -2.099 -0.316 5.298 1.00 0.00 N
ATOM 56 CA ALA A 4 -1.143 0.380 6.203 1.00 0.00 C
ATOM 57 C ALA A 4 0.240 0.719 5.574 1.00 0.00 C
ATOM 58 O ALA A 4 0.853 1.729 5.925 1.00 0.00 O
ATOM 59 CB ALA A 4 -0.965 -0.463 7.473 1.00 0.00 C
ATOM 60 H ALA A 4 -2.436 -1.273 5.440 1.00 0.00 H
ATOM 61 HA ALA A 4 -1.601 1.338 6.502 1.00 0.00 H
ATOM 62 HB1 ALA A 4 -1.932 -0.642 7.978 1.00 0.00 H
ATOM 63 HB2 ALA A 4 -0.518 -1.450 7.254 1.00 0.00 H
ATOM 64 HB3 ALA A 4 -0.307 0.042 8.205 1.00 0.00 H
ATOM 65 N ASP A 5 0.704 -0.100 4.624 1.00 0.00 N
ATOM 66 CA ASP A 5 1.975 0.156 3.892 1.00 0.00 C
ATOM 67 C ASP A 5 1.962 1.370 2.911 1.00 0.00 C
ATOM 68 O ASP A 5 3.018 1.749 2.398 1.00 0.00 O
ATOM 69 CB ASP A 5 2.243 -1.132 3.073 1.00 0.00 C
ATOM 70 CG ASP A 5 3.604 -1.200 2.372 1.00 0.00 C
ATOM 71 OD1 ASP A 5 4.623 -1.464 3.047 1.00 0.00 O
ATOM 72 OD2 ASP A 5 3.652 -1.012 1.136 1.00 0.00 O
ATOM 73 H ASP A 5 0.083 -0.891 4.423 1.00 0.00 H
ATOM 74 HA ASP A 5 2.790 0.297 4.628 1.00 0.00 H
ATOM 75 HB2 ASP A 5 2.159 -2.020 3.716 1.00 0.00 H
ATOM 76 HB3 ASP A 5 1.444 -1.254 2.318 1.00 0.00 H
ATOM 77 N TYR A 6 0.781 1.879 2.538 1.00 0.00 N
ATOM 78 CA TYR A 6 0.658 2.781 1.369 1.00 0.00 C
ATOM 79 C TYR A 6 1.408 4.137 1.478 1.00 0.00 C
ATOM 80 O TYR A 6 1.319 4.874 2.462 1.00 0.00 O
ATOM 81 CB TYR A 6 -0.839 3.007 1.047 1.00 0.00 C
ATOM 82 CG TYR A 6 -1.645 1.821 0.472 1.00 0.00 C
ATOM 83 CD1 TYR A 6 -1.106 0.572 0.207 1.00 0.00 C
ATOM 84 CD2 TYR A 6 -2.970 2.054 0.177 1.00 0.00 C
ATOM 85 CE1 TYR A 6 -1.888 -0.408 -0.357 1.00 0.00 C
ATOM 86 CE2 TYR A 6 -3.747 1.071 -0.384 1.00 0.00 C
ATOM 87 CZ TYR A 6 -3.202 -0.160 -0.653 1.00 0.00 C
ATOM 88 OH TYR A 6 -3.977 -1.143 -1.214 1.00 0.00 O
ATOM 89 H TYR A 6 -0.031 1.452 2.999 1.00 0.00 H
ATOM 90 HA TYR A 6 1.098 2.240 0.509 1.00 0.00 H
ATOM 91 HB2 TYR A 6 -1.353 3.406 1.943 1.00 0.00 H
ATOM 92 HB3 TYR A 6 -0.907 3.822 0.300 1.00 0.00 H
ATOM 93 HD1 TYR A 6 -0.070 0.340 0.439 1.00 0.00 H
ATOM 94 HD2 TYR A 6 -3.411 3.021 0.380 1.00 0.00 H
ATOM 95 HE1 TYR A 6 -1.467 -1.383 -0.563 1.00 0.00 H
ATOM 96 HE2 TYR A 6 -4.783 1.270 -0.621 1.00 0.00 H
ATOM 97 HH TYR A 6 -4.869 -0.809 -1.335 1.00 0.00 H
ATOM 98 N GLY A 7 2.119 4.437 0.387 1.00 0.00 N
ATOM 99 CA GLY A 7 2.885 5.688 0.235 1.00 0.00 C
ATOM 100 C GLY A 7 3.330 5.749 -1.237 1.00 0.00 C
ATOM 101 O GLY A 7 2.674 6.382 -2.067 1.00 0.00 O
ATOM 102 H GLY A 7 2.088 3.731 -0.357 1.00 0.00 H
ATOM 103 HA2 GLY A 7 2.260 6.566 0.483 1.00 0.00 H
ATOM 104 HA3 GLY A 7 3.758 5.702 0.914 1.00 0.00 H
ATOM 105 N GLY A 8 4.353 4.952 -1.577 1.00 0.00 N
ATOM 106 CA GLY A 8 4.679 4.679 -2.996 1.00 0.00 C
ATOM 107 C GLY A 8 3.667 3.710 -3.648 1.00 0.00 C
ATOM 108 O GLY A 8 3.020 4.045 -4.642 1.00 0.00 O
ATOM 109 H GLY A 8 4.811 4.464 -0.800 1.00 0.00 H
ATOM 110 HA2 GLY A 8 4.709 5.620 -3.568 1.00 0.00 H
ATOM 111 HA3 GLY A 8 5.698 4.253 -3.062 1.00 0.00 H
ATOM 112 N ILE A 9 3.474 2.546 -3.015 1.00 0.00 N
ATOM 113 CA ILE A 9 2.381 1.606 -3.388 1.00 0.00 C
ATOM 114 C ILE A 9 1.034 2.264 -2.979 1.00 0.00 C
ATOM 115 O ILE A 9 0.870 2.727 -1.849 1.00 0.00 O
ATOM 116 CB ILE A 9 2.643 0.242 -2.670 1.00 0.00 C
ATOM 117 CG1 ILE A 9 3.804 -0.521 -3.356 1.00 0.00 C
ATOM 118 CG2 ILE A 9 1.392 -0.647 -2.586 1.00 0.00 C
ATOM 119 CD1 ILE A 9 4.319 -1.726 -2.559 1.00 0.00 C
ATOM 120 H ILE A 9 4.055 2.428 -2.179 1.00 0.00 H
ATOM 121 HA ILE A 9 2.380 1.432 -4.487 1.00 0.00 H
ATOM 122 HB ILE A 9 2.922 0.444 -1.628 1.00 0.00 H
ATOM 123 HG12 ILE A 9 3.487 -0.854 -4.361 1.00 0.00 H
ATOM 124 HG13 ILE A 9 4.654 0.166 -3.519 1.00 0.00 H
ATOM 125 HG21 ILE A 9 0.980 -0.853 -3.584 1.00 0.00 H
ATOM 126 HG22 ILE A 9 1.596 -1.612 -2.088 1.00 0.00 H
ATOM 127 HG23 ILE A 9 0.602 -0.152 -1.998 1.00 0.00 H
ATOM 128 HD11 ILE A 9 4.669 -1.428 -1.552 1.00 0.00 H
ATOM 129 HD12 ILE A 9 3.536 -2.496 -2.436 1.00 0.00 H
ATOM 130 HD13 ILE A 9 5.173 -2.205 -3.073 1.00 0.00 H
ATOM 131 N ALA A 10 0.079 2.321 -3.915 1.00 0.00 N
ATOM 132 CA ALA A 10 -1.222 2.959 -3.640 1.00 0.00 C
ATOM 133 C ALA A 10 -2.305 2.180 -4.390 1.00 0.00 C
ATOM 134 O ALA A 10 -3.059 1.402 -3.727 1.00 0.00 O
ATOM 135 CB ALA A 10 -1.184 4.432 -4.077 1.00 0.00 C
ATOM 136 OXT ALA A 10 -2.447 2.308 -5.645 1.00 0.00 O
ATOM 137 H ALA A 10 0.290 1.878 -4.816 1.00 0.00 H
ATOM 138 HA ALA A 10 -1.451 2.915 -2.559 1.00 0.00 H
ATOM 139 HB1 ALA A 10 -0.911 4.526 -5.144 1.00 0.00 H
ATOM 140 HB2 ALA A 10 -2.166 4.922 -3.932 1.00 0.00 H
ATOM 141 HB3 ALA A 10 -0.442 5.010 -3.496 1.00 0.00 H
TER 142 ALA A 10
ENDMDL
MODEL 2
ATOM 1 N TRP A 1 -0.835 -5.964 -1.681 1.00 0.00 N
ATOM 2 CA TRP A 1 -0.462 -4.793 -0.861 1.00 0.00 C
ATOM 3 C TRP A 1 -1.285 -4.757 0.446 1.00 0.00 C
ATOM 4 O TRP A 1 -2.380 -5.319 0.547 1.00 0.00 O
ATOM 5 CB TRP A 1 -0.644 -3.498 -1.678 1.00 0.00 C
ATOM 6 CG TRP A 1 0.300 -3.319 -2.865 1.00 0.00 C
ATOM 7 CD1 TRP A 1 1.641 -3.727 -2.937 1.00 0.00 C
ATOM 8 CD2 TRP A 1 0.069 -2.598 -4.011 1.00 0.00 C
ATOM 9 NE1 TRP A 1 2.246 -3.281 -4.127 1.00 0.00 N
ATOM 10 CE2 TRP A 1 1.241 -2.564 -4.754 1.00 0.00 C
ATOM 11 CE3 TRP A 1 -1.049 -1.890 -4.412 1.00 0.00 C
ATOM 12 CZ2 TRP A 1 1.321 -1.796 -5.898 1.00 0.00 C
ATOM 13 CZ3 TRP A 1 -0.975 -1.158 -5.576 1.00 0.00 C
ATOM 14 CH2 TRP A 1 0.203 -1.101 -6.301 1.00 0.00 C
ATOM 15 H1 TRP A 1 -0.654 -6.828 -1.150 1.00 0.00 H
ATOM 16 H2 TRP A 1 -1.835 -5.912 -1.920 1.00 0.00 H
ATOM 17 H3 TRP A 1 -0.275 -5.970 -2.546 1.00 0.00 H
ATOM 18 HA TRP A 1 0.605 -4.892 -0.586 1.00 0.00 H
ATOM 19 HB2 TRP A 1 -1.689 -3.411 -2.016 1.00 0.00 H
ATOM 20 HB3 TRP A 1 -0.473 -2.635 -1.015 1.00 0.00 H
ATOM 21 HD1 TRP A 1 2.148 -4.261 -2.152 1.00 0.00 H
ATOM 22 HE1 TRP A 1 3.224 -3.384 -4.420 1.00 0.00 H
ATOM 23 HE3 TRP A 1 -1.937 -1.876 -3.808 1.00 0.00 H
ATOM 24 HZ2 TRP A 1 2.248 -1.703 -6.443 1.00 0.00 H
ATOM 25 HZ3 TRP A 1 -1.835 -0.592 -5.906 1.00 0.00 H
ATOM 26 HH2 TRP A 1 0.270 -0.478 -7.173 1.00 0.00 H
ATOM 27 N ASN A 2 -0.712 -4.103 1.463 1.00 0.00 N
ATOM 28 CA ASN A 2 -1.328 -4.047 2.806 1.00 0.00 C
ATOM 29 C ASN A 2 -1.793 -2.589 3.085 1.00 0.00 C
ATOM 30 O ASN A 2 -0.936 -1.707 3.132 1.00 0.00 O
ATOM 31 CB ASN A 2 -0.240 -4.514 3.803 1.00 0.00 C
ATOM 32 CG ASN A 2 -0.726 -4.657 5.251 1.00 0.00 C
ATOM 33 OD1 ASN A 2 -1.829 -5.128 5.525 1.00 0.00 O
ATOM 34 ND2 ASN A 2 0.121 -4.297 6.201 1.00 0.00 N
ATOM 35 H ASN A 2 0.192 -3.665 1.254 1.00 0.00 H
ATOM 36 HA ASN A 2 -2.174 -4.756 2.869 1.00 0.00 H
ATOM 37 HB2 ASN A 2 0.159 -5.498 3.486 1.00 0.00 H
ATOM 38 HB3 ASN A 2 0.625 -3.824 3.761 1.00 0.00 H
ATOM 39 HD21 ASN A 2 1.030 -3.936 5.891 1.00 0.00 H
ATOM 40 HD22 ASN A 2 -0.191 -4.429 7.169 1.00 0.00 H
ATOM 41 N PRO A 3 -3.103 -2.282 3.263 1.00 0.00 N
ATOM 42 CA PRO A 3 -3.611 -0.899 3.488 1.00 0.00 C
ATOM 43 C PRO A 3 -2.849 0.093 4.398 1.00 0.00 C
ATOM 44 O PRO A 3 -2.737 1.271 4.052 1.00 0.00 O
ATOM 45 CB PRO A 3 -5.014 -1.209 4.027 1.00 0.00 C
ATOM 46 CG PRO A 3 -5.438 -2.394 3.164 1.00 0.00 C
ATOM 47 CD PRO A 3 -4.189 -3.276 3.180 1.00 0.00 C
ATOM 48 HA PRO A 3 -3.705 -0.417 2.495 1.00 0.00 H
ATOM 49 HB2 PRO A 3 -4.970 -1.520 5.089 1.00 0.00 H
ATOM 50 HB3 PRO A 3 -5.695 -0.346 3.967 1.00 0.00 H
ATOM 51 HG2 PRO A 3 -6.346 -2.911 3.524 1.00 0.00 H
ATOM 52 HG3 PRO A 3 -5.640 -2.045 2.133 1.00 0.00 H
ATOM 53 HD2 PRO A 3 -4.171 -3.930 4.072 1.00 0.00 H
ATOM 54 HD3 PRO A 3 -4.138 -3.907 2.274 1.00 0.00 H
ATOM 55 N ALA A 4 -2.313 -0.363 5.533 1.00 0.00 N
ATOM 56 CA ALA A 4 -1.500 0.527 6.404 1.00 0.00 C
ATOM 57 C ALA A 4 -0.072 0.845 5.877 1.00 0.00 C
ATOM 58 O ALA A 4 0.549 1.813 6.321 1.00 0.00 O
ATOM 59 CB ALA A 4 -1.397 -0.100 7.802 1.00 0.00 C
ATOM 60 H ALA A 4 -2.487 -1.356 5.720 1.00 0.00 H
ATOM 61 HA ALA A 4 -2.033 1.488 6.506 1.00 0.00 H
ATOM 62 HB1 ALA A 4 -2.394 -0.286 8.241 1.00 0.00 H
ATOM 63 HB2 ALA A 4 -0.856 -1.065 7.781 1.00 0.00 H
ATOM 64 HB3 ALA A 4 -0.855 0.565 8.500 1.00 0.00 H
ATOM 65 N ASP A 5 0.457 0.014 4.972 1.00 0.00 N
ATOM 66 CA ASP A 5 1.850 0.152 4.481 1.00 0.00 C
ATOM 67 C ASP A 5 1.918 0.761 3.056 1.00 0.00 C
ATOM 68 O ASP A 5 2.448 0.168 2.111 1.00 0.00 O
ATOM 69 CB ASP A 5 2.393 -1.283 4.471 1.00 0.00 C
ATOM 70 CG ASP A 5 3.917 -1.414 4.363 1.00 0.00 C
ATOM 71 OD1 ASP A 5 4.647 -0.472 4.748 1.00 0.00 O
ATOM 72 OD2 ASP A 5 4.391 -2.487 3.932 1.00 0.00 O
ATOM 73 H ASP A 5 -0.168 -0.746 4.684 1.00 0.00 H
ATOM 74 HA ASP A 5 2.440 0.769 5.186 1.00 0.00 H
ATOM 75 HB2 ASP A 5 2.070 -1.815 5.377 1.00 0.00 H
ATOM 76 HB3 ASP A 5 1.898 -1.802 3.632 1.00 0.00 H
ATOM 77 N TYR A 6 1.323 1.940 2.913 1.00 0.00 N
ATOM 78 CA TYR A 6 1.196 2.608 1.594 1.00 0.00 C
ATOM 79 C TYR A 6 2.037 3.907 1.537 1.00 0.00 C
ATOM 80 O TYR A 6 2.607 4.379 2.524 1.00 0.00 O
ATOM 81 CB TYR A 6 -0.306 2.899 1.310 1.00 0.00 C
ATOM 82 CG TYR A 6 -1.114 1.769 0.648 1.00 0.00 C
ATOM 83 CD1 TYR A 6 -0.855 0.437 0.884 1.00 0.00 C
ATOM 84 CD2 TYR A 6 -2.131 2.108 -0.214 1.00 0.00 C
ATOM 85 CE1 TYR A 6 -1.611 -0.533 0.279 1.00 0.00 C
ATOM 86 CE2 TYR A 6 -2.874 1.136 -0.837 1.00 0.00 C
ATOM 87 CZ TYR A 6 -2.614 -0.188 -0.586 1.00 0.00 C
ATOM 88 OH TYR A 6 -3.358 -1.160 -1.204 1.00 0.00 O
ATOM 89 H TYR A 6 0.882 2.259 3.778 1.00 0.00 H
ATOM 90 HA TYR A 6 1.579 1.949 0.790 1.00 0.00 H
ATOM 91 HB2 TYR A 6 -0.813 3.235 2.235 1.00 0.00 H
ATOM 92 HB3 TYR A 6 -0.372 3.771 0.634 1.00 0.00 H
ATOM 93 HD1 TYR A 6 -0.052 0.145 1.535 1.00 0.00 H
ATOM 94 HD2 TYR A 6 -2.354 3.145 -0.410 1.00 0.00 H
ATOM 95 HE1 TYR A 6 -1.401 -1.569 0.496 1.00 0.00 H
ATOM 96 HE2 TYR A 6 -3.663 1.414 -1.519 1.00 0.00 H
ATOM 97 HH TYR A 6 -3.995 -0.742 -1.788 1.00 0.00 H
ATOM 98 N GLY A 7 2.111 4.464 0.325 1.00 0.00 N
ATOM 99 CA GLY A 7 2.864 5.704 0.077 1.00 0.00 C
ATOM 100 C GLY A 7 3.033 5.843 -1.439 1.00 0.00 C
ATOM 101 O GLY A 7 2.081 6.174 -2.150 1.00 0.00 O
ATOM 102 H GLY A 7 1.582 3.983 -0.412 1.00 0.00 H
ATOM 103 HA2 GLY A 7 2.307 6.571 0.478 1.00 0.00 H
ATOM 104 HA3 GLY A 7 3.845 5.680 0.590 1.00 0.00 H
ATOM 105 N GLY A 8 4.207 5.441 -1.942 1.00 0.00 N
ATOM 106 CA GLY A 8 4.384 5.245 -3.403 1.00 0.00 C
ATOM 107 C GLY A 8 3.550 4.069 -3.964 1.00 0.00 C
ATOM 108 O GLY A 8 2.946 4.177 -5.033 1.00 0.00 O
ATOM 109 H GLY A 8 4.908 5.149 -1.253 1.00 0.00 H
ATOM 110 HA2 GLY A 8 4.099 6.169 -3.932 1.00 0.00 H
ATOM 111 HA3 GLY A 8 5.453 5.083 -3.627 1.00 0.00 H
ATOM 112 N ILE A 9 3.403 3.014 -3.150 1.00 0.00 N
ATOM 113 CA ILE A 9 2.369 1.977 -3.370 1.00 0.00 C
ATOM 114 C ILE A 9 1.001 2.665 -3.179 1.00 0.00 C
ATOM 115 O ILE A 9 0.753 3.314 -2.159 1.00 0.00 O
ATOM 116 CB ILE A 9 2.578 0.843 -2.327 1.00 0.00 C
ATOM 117 CG1 ILE A 9 3.839 0.025 -2.682 1.00 0.00 C
ATOM 118 CG2 ILE A 9 1.361 -0.086 -2.237 1.00 0.00 C
ATOM 119 CD1 ILE A 9 4.322 -0.876 -1.546 1.00 0.00 C
ATOM 120 H ILE A 9 3.911 3.109 -2.265 1.00 0.00 H
ATOM 121 HA ILE A 9 2.450 1.561 -4.399 1.00 0.00 H
ATOM 122 HB ILE A 9 2.690 1.290 -1.328 1.00 0.00 H
ATOM 123 HG12 ILE A 9 3.639 -0.586 -3.582 1.00 0.00 H
ATOM 124 HG13 ILE A 9 4.673 0.697 -2.958 1.00 0.00 H
ATOM 125 HG21 ILE A 9 1.120 -0.475 -3.233 1.00 0.00 H
ATOM 126 HG22 ILE A 9 1.526 -0.939 -1.556 1.00 0.00 H
ATOM 127 HG23 ILE A 9 0.464 0.445 -1.871 1.00 0.00 H
ATOM 128 HD11 ILE A 9 3.522 -1.516 -1.137 1.00 0.00 H
ATOM 129 HD12 ILE A 9 5.107 -1.548 -1.922 1.00 0.00 H
ATOM 130 HD13 ILE A 9 4.740 -0.282 -0.710 1.00 0.00 H
ATOM 131 N ALA A 10 0.145 2.578 -4.197 1.00 0.00 N
ATOM 132 CA ALA A 10 -1.105 3.344 -4.174 1.00 0.00 C
ATOM 133 C ALA A 10 -2.162 2.605 -4.997 1.00 0.00 C
ATOM 134 O ALA A 10 -1.986 2.448 -6.244 1.00 0.00 O
ATOM 135 CB ALA A 10 -0.807 4.732 -4.772 1.00 0.00 C
ATOM 136 OXT ALA A 10 -3.208 2.153 -4.436 1.00 0.00 O
ATOM 137 H ALA A 10 0.421 1.989 -4.991 1.00 0.00 H
ATOM 138 HA ALA A 10 -1.459 3.429 -3.122 1.00 0.00 H
ATOM 139 HB1 ALA A 10 -0.372 4.643 -5.787 1.00 0.00 H
ATOM 140 HB2 ALA A 10 -1.714 5.358 -4.848 1.00 0.00 H
ATOM 141 HB3 ALA A 10 -0.072 5.290 -4.161 1.00 0.00 H
TER 142 ALA A 10
ENDMDL
MODEL 3
ATOM 1 N TRP A 1 0.649 -5.556 -1.233 1.00 0.00 N
ATOM 2 CA TRP A 1 -0.409 -4.525 -1.209 1.00 0.00 C
ATOM 3 C TRP A 1 -1.192 -4.685 0.102 1.00 0.00 C
ATOM 4 O TRP A 1 -1.936 -5.651 0.295 1.00 0.00 O
ATOM 5 CB TRP A 1 -1.352 -4.631 -2.427 1.00 0.00 C
ATOM 6 CG TRP A 1 -0.720 -4.197 -3.751 1.00 0.00 C
ATOM 7 CD1 TRP A 1 0.329 -4.851 -4.421 1.00 0.00 C
ATOM 8 CD2 TRP A 1 -1.050 -3.114 -4.546 1.00 0.00 C
ATOM 9 NE1 TRP A 1 0.676 -4.186 -5.608 1.00 0.00 N
ATOM 10 CE2 TRP A 1 -0.203 -3.115 -5.657 1.00 0.00 C
ATOM 11 CE3 TRP A 1 -2.021 -2.133 -4.394 1.00 0.00 C
ATOM 12 CZ2 TRP A 1 -0.318 -2.131 -6.624 1.00 0.00 C
ATOM 13 CZ3 TRP A 1 -2.130 -1.168 -5.371 1.00 0.00 C
ATOM 14 CH2 TRP A 1 -1.290 -1.167 -6.470 1.00 0.00 C
ATOM 15 H1 TRP A 1 0.220 -6.491 -1.185 1.00 0.00 H
ATOM 16 H2 TRP A 1 1.192 -5.472 -2.104 1.00 0.00 H
ATOM 17 H3 TRP A 1 1.275 -5.425 -0.425 1.00 0.00 H
ATOM 18 HA TRP A 1 0.076 -3.529 -1.229 1.00 0.00 H
ATOM 19 HB2 TRP A 1 -1.741 -5.663 -2.517 1.00 0.00 H
ATOM 20 HB3 TRP A 1 -2.244 -4.005 -2.241 1.00 0.00 H
ATOM 21 HD1 TRP A 1 0.815 -5.749 -4.071 1.00 0.00 H
ATOM 22 HE1 TRP A 1 1.399 -4.446 -6.286 1.00 0.00 H
ATOM 23 HE3 TRP A 1 -2.684 -2.122 -3.540 1.00 0.00 H
ATOM 24 HZ2 TRP A 1 0.336 -2.122 -7.485 1.00 0.00 H
ATOM 25 HZ3 TRP A 1 -2.886 -0.403 -5.283 1.00 0.00 H
ATOM 26 HH2 TRP A 1 -1.400 -0.400 -7.222 1.00 0.00 H
ATOM 27 N ASN A 2 -1.004 -3.721 1.003 1.00 0.00 N
ATOM 28 CA ASN A 2 -1.681 -3.725 2.314 1.00 0.00 C
ATOM 29 C ASN A 2 -2.019 -2.250 2.658 1.00 0.00 C
ATOM 30 O ASN A 2 -1.139 -1.398 2.508 1.00 0.00 O
ATOM 31 CB ASN A 2 -0.744 -4.384 3.351 1.00 0.00 C
ATOM 32 CG ASN A 2 -1.396 -4.621 4.719 1.00 0.00 C
ATOM 33 OD1 ASN A 2 -2.410 -5.309 4.838 1.00 0.00 O
ATOM 34 ND2 ASN A 2 -0.810 -4.088 5.777 1.00 0.00 N
ATOM 35 H ASN A 2 -0.357 -2.977 0.719 1.00 0.00 H
ATOM 36 HA ASN A 2 -2.601 -4.331 2.243 1.00 0.00 H
ATOM 37 HB2 ASN A 2 -0.421 -5.371 2.970 1.00 0.00 H
ATOM 38 HB3 ASN A 2 0.187 -3.793 3.456 1.00 0.00 H
ATOM 39 HD21 ASN A 2 0.054 -3.560 5.608 1.00 0.00 H
ATOM 40 HD22 ASN A 2 -1.249 -4.272 6.686 1.00 0.00 H
ATOM 41 N PRO A 3 -3.243 -1.881 3.108 1.00 0.00 N
ATOM 42 CA PRO A 3 -3.613 -0.472 3.380 1.00 0.00 C
ATOM 43 C PRO A 3 -2.673 0.384 4.257 1.00 0.00 C
ATOM 44 O PRO A 3 -2.425 1.545 3.930 1.00 0.00 O
ATOM 45 CB PRO A 3 -5.015 -0.613 3.988 1.00 0.00 C
ATOM 46 CG PRO A 3 -5.570 -1.855 3.294 1.00 0.00 C
ATOM 47 CD PRO A 3 -4.376 -2.807 3.282 1.00 0.00 C
ATOM 48 HA PRO A 3 -3.711 0.027 2.401 1.00 0.00 H
ATOM 49 HB2 PRO A 3 -4.958 -0.799 5.076 1.00 0.00 H
ATOM 50 HB3 PRO A 3 -5.643 0.284 3.837 1.00 0.00 H
ATOM 51 HG2 PRO A 3 -6.461 -2.276 3.795 1.00 0.00 H
ATOM 52 HG3 PRO A 3 -5.859 -1.605 2.254 1.00 0.00 H
ATOM 53 HD2 PRO A 3 -4.278 -3.340 4.247 1.00 0.00 H
ATOM 54 HD3 PRO A 3 -4.482 -3.554 2.475 1.00 0.00 H
ATOM 55 N ALA A 4 -2.116 -0.190 5.332 1.00 0.00 N
ATOM 56 CA ALA A 4 -1.137 0.524 6.179 1.00 0.00 C
ATOM 57 C ALA A 4 0.219 0.821 5.490 1.00 0.00 C
ATOM 58 O ALA A 4 0.764 1.912 5.665 1.00 0.00 O
ATOM 59 CB ALA A 4 -0.930 -0.291 7.460 1.00 0.00 C
ATOM 60 H ALA A 4 -2.383 -1.165 5.504 1.00 0.00 H
ATOM 61 HA ALA A 4 -1.584 1.495 6.468 1.00 0.00 H
ATOM 62 HB1 ALA A 4 -1.885 -0.462 7.990 1.00 0.00 H
ATOM 63 HB2 ALA A 4 -0.488 -1.282 7.241 1.00 0.00 H
ATOM 64 HB3 ALA A 4 -0.254 0.231 8.160 1.00 0.00 H
ATOM 65 N ASP A 5 0.740 -0.109 4.674 1.00 0.00 N
ATOM 66 CA ASP A 5 1.993 0.123 3.913 1.00 0.00 C
ATOM 67 C ASP A 5 1.865 1.070 2.678 1.00 0.00 C
ATOM 68 O ASP A 5 2.827 1.220 1.920 1.00 0.00 O
ATOM 69 CB ASP A 5 2.522 -1.274 3.512 1.00 0.00 C
ATOM 70 CG ASP A 5 3.987 -1.293 3.065 1.00 0.00 C
ATOM 71 OD1 ASP A 5 4.882 -1.236 3.936 1.00 0.00 O
ATOM 72 OD2 ASP A 5 4.250 -1.365 1.845 1.00 0.00 O
ATOM 73 H ASP A 5 0.205 -0.981 4.605 1.00 0.00 H
ATOM 74 HA ASP A 5 2.730 0.573 4.603 1.00 0.00 H
ATOM 75 HB2 ASP A 5 2.439 -1.971 4.367 1.00 0.00 H
ATOM 76 HB3 ASP A 5 1.887 -1.711 2.720 1.00 0.00 H
ATOM 77 N TYR A 6 0.721 1.744 2.471 1.00 0.00 N
ATOM 78 CA TYR A 6 0.543 2.647 1.313 1.00 0.00 C
ATOM 79 C TYR A 6 1.350 3.956 1.463 1.00 0.00 C
ATOM 80 O TYR A 6 1.289 4.659 2.474 1.00 0.00 O
ATOM 81 CB TYR A 6 -0.956 2.967 1.092 1.00 0.00 C
ATOM 82 CG TYR A 6 -1.865 1.864 0.521 1.00 0.00 C
ATOM 83 CD1 TYR A 6 -1.392 0.676 0.001 1.00 0.00 C
ATOM 84 CD2 TYR A 6 -3.218 2.118 0.487 1.00 0.00 C
ATOM 85 CE1 TYR A 6 -2.259 -0.239 -0.540 1.00 0.00 C
ATOM 86 CE2 TYR A 6 -4.084 1.202 -0.057 1.00 0.00 C
ATOM 87 CZ TYR A 6 -3.604 0.025 -0.570 1.00 0.00 C
ATOM 88 OH TYR A 6 -4.466 -0.889 -1.115 1.00 0.00 O
ATOM 89 H TYR A 6 -0.037 1.544 3.133 1.00 0.00 H
ATOM 90 HA TYR A 6 0.911 2.118 0.414 1.00 0.00 H
ATOM 91 HB2 TYR A 6 -1.385 3.347 2.039 1.00 0.00 H
ATOM 92 HB3 TYR A 6 -1.030 3.821 0.392 1.00 0.00 H
ATOM 93 HD1 TYR A 6 -0.336 0.448 0.005 1.00 0.00 H
ATOM 94 HD2 TYR A 6 -3.610 3.044 0.883 1.00 0.00 H
ATOM 95 HE1 TYR A 6 -1.879 -1.163 -0.946 1.00 0.00 H
ATOM 96 HE2 TYR A 6 -5.141 1.416 -0.079 1.00 0.00 H
ATOM 97 HH TYR A 6 -5.362 -0.549 -1.060 1.00 0.00 H
ATOM 98 N GLY A 7 2.103 4.258 0.406 1.00 0.00 N
ATOM 99 CA GLY A 7 2.958 5.456 0.351 1.00 0.00 C
ATOM 100 C GLY A 7 3.455 5.611 -1.089 1.00 0.00 C
ATOM 101 O GLY A 7 2.893 6.383 -1.869 1.00 0.00 O
ATOM 102 H GLY A 7 2.058 3.583 -0.364 1.00 0.00 H
ATOM 103 HA2 GLY A 7 2.393 6.358 0.653 1.00 0.00 H
ATOM 104 HA3 GLY A 7 3.811 5.354 1.049 1.00 0.00 H
ATOM 105 N GLY A 8 4.423 4.771 -1.471 1.00 0.00 N
ATOM 106 CA GLY A 8 4.746 4.577 -2.899 1.00 0.00 C
ATOM 107 C GLY A 8 3.667 3.733 -3.612 1.00 0.00 C
ATOM 108 O GLY A 8 3.076 4.175 -4.599 1.00 0.00 O
ATOM 109 H GLY A 8 4.764 4.140 -0.736 1.00 0.00 H
ATOM 110 HA2 GLY A 8 4.865 5.555 -3.406 1.00 0.00 H
ATOM 111 HA3 GLY A 8 5.728 4.078 -2.987 1.00 0.00 H
ATOM 112 N ILE A 9 3.364 2.555 -3.047 1.00 0.00 N
ATOM 113 CA ILE A 9 2.241 1.707 -3.509 1.00 0.00 C
ATOM 114 C ILE A 9 0.915 2.403 -3.105 1.00 0.00 C
ATOM 115 O ILE A 9 0.723 2.755 -1.939 1.00 0.00 O
ATOM 116 CB ILE A 9 2.362 0.300 -2.845 1.00 0.00 C
ATOM 117 CG1 ILE A 9 3.688 -0.429 -3.184 1.00 0.00 C
ATOM 118 CG2 ILE A 9 1.181 -0.611 -3.235 1.00 0.00 C
ATOM 119 CD1 ILE A 9 3.988 -1.609 -2.251 1.00 0.00 C
ATOM 120 H ILE A 9 3.922 2.318 -2.220 1.00 0.00 H
ATOM 121 HA ILE A 9 2.295 1.596 -4.610 1.00 0.00 H
ATOM 122 HB ILE A 9 2.327 0.446 -1.748 1.00 0.00 H
ATOM 123 HG12 ILE A 9 3.677 -0.769 -4.236 1.00 0.00 H
ATOM 124 HG13 ILE A 9 4.540 0.271 -3.107 1.00 0.00 H
ATOM 125 HG21 ILE A 9 0.213 -0.181 -2.924 1.00 0.00 H
ATOM 126 HG22 ILE A 9 1.138 -0.767 -4.328 1.00 0.00 H
ATOM 127 HG23 ILE A 9 1.249 -1.607 -2.763 1.00 0.00 H
ATOM 128 HD11 ILE A 9 4.056 -1.278 -1.198 1.00 0.00 H
ATOM 129 HD12 ILE A 9 3.214 -2.396 -2.300 1.00 0.00 H
ATOM 130 HD13 ILE A 9 4.954 -2.081 -2.504 1.00 0.00 H
ATOM 131 N ALA A 10 0.002 2.594 -4.064 1.00 0.00 N
ATOM 132 CA ALA A 10 -1.290 3.245 -3.772 1.00 0.00 C
ATOM 133 C ALA A 10 -2.403 2.440 -4.445 1.00 0.00 C
ATOM 134 O ALA A 10 -3.105 1.662 -3.728 1.00 0.00 O
ATOM 135 CB ALA A 10 -1.272 4.708 -4.242 1.00 0.00 C
ATOM 136 OXT ALA A 10 -2.619 2.547 -5.692 1.00 0.00 O
ATOM 137 H ALA A 10 0.247 2.245 -4.997 1.00 0.00 H
ATOM 138 HA ALA A 10 -1.487 3.240 -2.683 1.00 0.00 H
ATOM 139 HB1 ALA A 10 -1.096 4.792 -5.331 1.00 0.00 H
ATOM 140 HB2 ALA A 10 -2.233 5.212 -4.021 1.00 0.00 H
ATOM 141 HB3 ALA A 10 -0.480 5.286 -3.733 1.00 0.00 H
TER 142 ALA A 10
ENDMDL
MASTER 118 0 0 1 0 1 0 6 423 3 0 1
END
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