source: data/molecules/AntifreezeProtein.pdb@ 9cd0d0

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 9cd0d0 was 936a02, checked in by Frederik Heber <heber@…>, 13 years ago

Creating data dir for bondtables, databases, and molecules.

  • Moved .db files from src/Element to data/databases.
  • Added bondtable.dat from VSpeShape (kudos Christian Neuen) to data/bondtables as an initial bond table from geometry optimization of bielemental systems.
  • Added some abitrary molecules to data/molecules.
  • Added src/documentation/data.dox to explain purpose of the folder.
  • Property mode set to 100644
File size: 52.0 KB
RevLine 
[936a02]1HEADER ANTIFREEZE PROTEIN 08-JUL-96 1KDF
2TITLE NORTH-ATLANTIC OCEAN POUT ANTIFREEZE PROTEIN TYPE III
3TITLE 2 ISOFORM HPLC12 MUTANT, NMR, MINIMIZED AVERAGE STRUCTURE
4COMPND MOL_ID: 1;
5COMPND 2 MOLECULE: ANTIFREEZE PROTEIN;
6COMPND 3 CHAIN: A;
7COMPND 4 SYNONYM: KDEL;
8COMPND 5 ENGINEERED: YES;
9COMPND 6 MUTATION: YES;
10COMPND 7 OTHER_DETAILS: TYPE III ISOFORM HPLC 12, QAE-COMPONENT
11SOURCE MOL_ID: 1;
12SOURCE 2 ORGANISM_SCIENTIFIC: MACROZOARCES AMERICANUS;
13SOURCE 3 ORGANISM_COMMON: OCEAN POUT;
14SOURCE 4 ORGANISM_TAXID: 8199;
15SOURCE 5 VARIANT: HPLC-12;
16SOURCE 6 TISSUE: BLOOD;
17SOURCE 7 GENE: K38;
18SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
19SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562;
20SOURCE 10 EXPRESSION_SYSTEM_PLASMID: JM83;
21SOURCE 11 EXPRESSION_SYSTEM_GENE: K38
22KEYWDS ICE BINDING PROTEIN, THERMAL HYSTERESIS PROTEIN, ANTIFREEZE
23KEYWDS 2 PROTEIN, GLYCOPROTEIN
24EXPDTA SOLUTION NMR
25AUTHOR F.D.SONNICHSEN,C.I.DELUCA,P.L.DAVIES,B.D.SYKES
26REVDAT 3 24-FEB-09 1KDF 1 VERSN
27REVDAT 2 01-APR-03 1KDF 1 JRNL
28REVDAT 1 21-APR-97 1KDF 0
29JRNL AUTH F.D.SONNICHSEN,C.I.DELUCA,P.L.DAVIES,B.D.SYKES
30JRNL TITL REFINED SOLUTION STRUCTURE OF TYPE III ANTIFREEZE
31JRNL TITL 2 PROTEIN: HYDROPHOBIC GROUPS MAY BE INVOLVED IN THE
32JRNL TITL 3 ENERGETICS OF THE PROTEIN-ICE INTERACTION.
33JRNL REF STRUCTURE V. 4 1325 1996
34JRNL REFN ISSN 0969-2126
35JRNL PMID 8939756
36JRNL DOI 10.1016/S0969-2126(96)00140-2
37REMARK 1
38REMARK 1 REFERENCE 1
39REMARK 1 AUTH H.CHAO,F.D.SONNICHSEN,C.I.DELUCA,B.D.SYKES,
40REMARK 1 AUTH 2 P.L.DAVIES
41REMARK 1 TITL STRUCTURE-FUNCTION RELATIONSHIP IN THE GLOBULAR
42REMARK 1 TITL 2 TYPE III ANTIFREEZE PROTEIN: IDENTIFICATION OF A
43REMARK 1 TITL 3 CLUSTER OF SURFACE RESIDUES REQUIRED FOR BINDING
44REMARK 1 TITL 4 TO ICE
45REMARK 1 REF PROTEIN SCI. V. 3 1760 1994
46REMARK 1 REFN ISSN 0961-8368
47REMARK 1 REFERENCE 2
48REMARK 1 AUTH F.D.SONNICHSEN,B.D.SYKES,H.CHAO,P.L.DAVIES
49REMARK 1 TITL THE NONHELICAL STRUCTURE OF ANTIFREEZE PROTEIN
50REMARK 1 TITL 2 TYPE III
51REMARK 1 REF SCIENCE V. 259 1154 1993
52REMARK 1 REFN ISSN 0036-8075
53REMARK 2
54REMARK 2 RESOLUTION. NOT APPLICABLE.
55REMARK 3
56REMARK 3 REFINEMENT.
57REMARK 3 PROGRAM : X-PLOR 3.1
58REMARK 3 AUTHORS : BRUNGER
59REMARK 3
60REMARK 3 OTHER REFINEMENT REMARKS: NULL
61REMARK 4
62REMARK 4 1KDF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
63REMARK 100
64REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
65REMARK 210
66REMARK 210 EXPERIMENTAL DETAILS
67REMARK 210 EXPERIMENT TYPE : NMR
68REMARK 210 TEMPERATURE (KELVIN) : 298
69REMARK 210 PH : 7.6
70REMARK 210 IONIC STRENGTH : NULL
71REMARK 210 PRESSURE : NULL
72REMARK 210 SAMPLE CONTENTS : NULL
73REMARK 210
74REMARK 210 NMR EXPERIMENTS CONDUCTED : DQCOSY, TOCSY, NOESY, 15N_
75REMARK 210 TOCSY HMQC, 3D-HCCH-TOCSY HMQC
76REMARK 210 -J, 15N-NOESYHMQC, 3D-15N/13C-
77REMARK 210 NOESYHSQC
78REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
79REMARK 210 SPECTROMETER MODEL : UNITY
80REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
81REMARK 210
82REMARK 210 STRUCTURE DETERMINATION.
83REMARK 210 SOFTWARE USED : X-PLOR 3.1
84REMARK 210 METHOD USED : DG_SUB_EMBED, DGSA, REFINE
85REMARK 210
86REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
87REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
88REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE
89REMARK 210
90REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
91REMARK 210
92REMARK 210 REMARK: NULL
93REMARK 215
94REMARK 215 NMR STUDY
95REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
96REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
97REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
98REMARK 215 THESE RECORDS ARE MEANINGLESS.
99REMARK 465
100REMARK 465 MISSING RESIDUES
101REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
102REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
103REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
104REMARK 465 RES C SSSEQI
105REMARK 465 MET A 0
106REMARK 465 LYS A 66
107REMARK 465 ASP A 67
108REMARK 465 GLU A 68
109REMARK 465 LEU A 69
110REMARK 500
111REMARK 500 GEOMETRY AND STEREOCHEMISTRY
112REMARK 500 SUBTOPIC: TORSION ANGLES
113REMARK 500
114REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
115REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
116REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
117REMARK 500
118REMARK 500 STANDARD TABLE:
119REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
120REMARK 500
121REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
122REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
123REMARK 500
124REMARK 500 M RES CSSEQI PSI PHI
125REMARK 500 MET A 21 30.82 -98.54
126REMARK 500 LEU A 40 35.00 -98.28
127REMARK 500
128REMARK 500 REMARK: NULL
129REMARK 500
130REMARK 500 GEOMETRY AND STEREOCHEMISTRY
131REMARK 500 SUBTOPIC: PLANAR GROUPS
132REMARK 500
133REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
134REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
135REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
136REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
137REMARK 500 AN RMSD GREATER THAN THIS VALUE
138REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
139REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
140REMARK 500
141REMARK 500 M RES CSSEQI RMS TYPE
142REMARK 500 ARG A 23 0.24 SIDE_CHAIN
143REMARK 500 ARG A 39 0.29 SIDE_CHAIN
144REMARK 500 ARG A 47 0.28 SIDE_CHAIN
145REMARK 500
146REMARK 500 REMARK: NULL
147REMARK 800
148REMARK 800 SITE
149REMARK 800 SITE_IDENTIFIER: 1
150REMARK 800 EVIDENCE_CODE: UNKNOWN
151REMARK 800 SITE_DESCRIPTION: ICE-BINDING RESIDUES.
152REMARK 900
153REMARK 900 RELATED ENTRIES
154REMARK 900 RELATED ID: 1KDE RELATED DB: PDB
155DBREF 1KDF A 1 65 UNP P19614 ANPC_MACAM 1 65
156SEQADV 1KDF ALA A 64 UNP P19614 PRO 64 ENGINEERED
157SEQADV 1KDF ALA A 65 UNP P19614 PRO 65 ENGINEERED
158SEQRES 1 A 70 MET ASN GLN ALA SER VAL VAL ALA ASN GLN LEU ILE PRO
159SEQRES 2 A 70 ILE ASN THR ALA LEU THR LEU VAL MET MET ARG SER GLU
160SEQRES 3 A 70 VAL VAL THR PRO VAL GLY ILE PRO ALA GLU ASP ILE PRO
161SEQRES 4 A 70 ARG LEU VAL SER MET GLN VAL ASN ARG ALA VAL PRO LEU
162SEQRES 5 A 70 GLY THR THR LEU MET PRO ASP MET VAL LYS GLY TYR ALA
163SEQRES 6 A 70 ALA LYS ASP GLU LEU
164HELIX 1 1 LEU A 19 MET A 21 5 3
165SHEET 1 A 2 SER A 4 VAL A 6 0
166SHEET 2 A 2 ARG A 23 GLU A 25 -1 N GLU A 25 O SER A 4
167CISPEP 1 THR A 28 PRO A 29 0 0.18
168SITE 1 1 5 GLN A 9 ASN A 14 THR A 15 THR A 18
169SITE 2 1 5 GLN A 44
170CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
171ORIGX1 1.000000 0.000000 0.000000 0.00000
172ORIGX2 0.000000 1.000000 0.000000 0.00000
173ORIGX3 0.000000 0.000000 1.000000 0.00000
174SCALE1 1.000000 0.000000 0.000000 0.00000
175SCALE2 0.000000 1.000000 0.000000 0.00000
176SCALE3 0.000000 0.000000 1.000000 0.00000
177ATOM 1 N ASN A 1 -15.189 -11.394 -5.715 1.00 0.00 N
178ATOM 2 CA ASN A 1 -14.637 -10.165 -5.079 1.00 0.00 C
179ATOM 3 C ASN A 1 -13.113 -10.218 -5.110 1.00 0.00 C
180ATOM 4 O ASN A 1 -12.497 -11.126 -4.551 1.00 0.00 O
181ATOM 5 CB ASN A 1 -15.116 -10.081 -3.629 1.00 0.00 C
182ATOM 6 CG ASN A 1 -16.617 -9.815 -3.602 1.00 0.00 C
183ATOM 7 OD1 ASN A 1 -17.059 -8.693 -3.848 1.00 0.00 O
184ATOM 8 ND2 ASN A 1 -17.435 -10.791 -3.316 1.00 0.00 N
185ATOM 9 N GLN A 2 -12.512 -9.232 -5.770 1.00 0.00 N
186ATOM 10 CA GLN A 2 -11.056 -9.172 -5.871 1.00 0.00 C
187ATOM 11 C GLN A 2 -10.488 -8.235 -4.810 1.00 0.00 C
188ATOM 12 O GLN A 2 -10.907 -7.084 -4.688 1.00 0.00 O
189ATOM 13 CB GLN A 2 -10.634 -8.674 -7.254 1.00 0.00 C
190ATOM 14 CG GLN A 2 -9.163 -9.018 -7.494 1.00 0.00 C
191ATOM 15 CD GLN A 2 -8.760 -8.578 -8.898 1.00 0.00 C
192ATOM 16 OE1 GLN A 2 -8.619 -7.385 -9.165 1.00 0.00 O
193ATOM 17 NE2 GLN A 2 -8.564 -9.480 -9.820 1.00 0.00 N
194ATOM 18 N ALA A 3 -9.527 -8.742 -4.043 1.00 0.00 N
195ATOM 19 CA ALA A 3 -8.903 -7.944 -2.991 1.00 0.00 C
196ATOM 20 C ALA A 3 -7.765 -7.104 -3.563 1.00 0.00 C
197ATOM 21 O ALA A 3 -7.014 -7.556 -4.427 1.00 0.00 O
198ATOM 22 CB ALA A 3 -8.349 -8.849 -1.889 1.00 0.00 C
199ATOM 23 N SER A 4 -7.647 -5.875 -3.069 1.00 0.00 N
200ATOM 24 CA SER A 4 -6.597 -4.974 -3.535 1.00 0.00 C
201ATOM 25 C SER A 4 -5.564 -4.746 -2.436 1.00 0.00 C
202ATOM 26 O SER A 4 -5.656 -5.318 -1.349 1.00 0.00 O
203ATOM 27 CB SER A 4 -7.190 -3.628 -3.949 1.00 0.00 C
204ATOM 28 OG SER A 4 -8.360 -3.849 -4.725 1.00 0.00 O
205ATOM 29 N VAL A 5 -4.578 -3.904 -2.732 1.00 0.00 N
206ATOM 30 CA VAL A 5 -3.527 -3.604 -1.761 1.00 0.00 C
207ATOM 31 C VAL A 5 -3.830 -2.296 -1.038 1.00 0.00 C
208ATOM 32 O VAL A 5 -3.505 -1.213 -1.523 1.00 0.00 O
209ATOM 33 CB VAL A 5 -2.168 -3.481 -2.458 1.00 0.00 C
210ATOM 34 CG1 VAL A 5 -1.062 -3.384 -1.406 1.00 0.00 C
211ATOM 35 CG2 VAL A 5 -1.927 -4.714 -3.333 1.00 0.00 C
212ATOM 36 N VAL A 6 -4.456 -2.407 0.130 1.00 0.00 N
213ATOM 37 CA VAL A 6 -4.798 -1.222 0.913 1.00 0.00 C
214ATOM 38 C VAL A 6 -3.661 -0.867 1.867 1.00 0.00 C
215ATOM 39 O VAL A 6 -2.929 -1.738 2.338 1.00 0.00 O
216ATOM 40 CB VAL A 6 -6.077 -1.464 1.721 1.00 0.00 C
217ATOM 41 CG1 VAL A 6 -6.498 -0.171 2.427 1.00 0.00 C
218ATOM 42 CG2 VAL A 6 -7.195 -1.910 0.778 1.00 0.00 C
219ATOM 43 N ALA A 7 -3.527 0.426 2.147 1.00 0.00 N
220ATOM 44 CA ALA A 7 -2.480 0.897 3.050 1.00 0.00 C
221ATOM 45 C ALA A 7 -2.754 0.420 4.473 1.00 0.00 C
222ATOM 46 O ALA A 7 -3.807 0.701 5.046 1.00 0.00 O
223ATOM 47 CB ALA A 7 -2.412 2.425 3.040 1.00 0.00 C
224ATOM 48 N ASN A 8 -1.795 -0.309 5.034 1.00 0.00 N
225ATOM 49 CA ASN A 8 -1.939 -0.827 6.392 1.00 0.00 C
226ATOM 50 C ASN A 8 -1.390 0.156 7.432 1.00 0.00 C
227ATOM 51 O ASN A 8 -1.629 -0.002 8.629 1.00 0.00 O
228ATOM 52 CB ASN A 8 -1.201 -2.159 6.533 1.00 0.00 C
229ATOM 53 CG ASN A 8 -1.777 -2.939 7.709 1.00 0.00 C
230ATOM 54 OD1 ASN A 8 -2.993 -3.098 7.821 1.00 0.00 O
231ATOM 55 ND2 ASN A 8 -0.969 -3.441 8.603 1.00 0.00 N
232ATOM 56 N GLN A 9 -0.654 1.172 6.975 1.00 0.00 N
233ATOM 57 CA GLN A 9 -0.090 2.156 7.895 1.00 0.00 C
234ATOM 58 C GLN A 9 0.021 3.517 7.212 1.00 0.00 C
235ATOM 59 O GLN A 9 -0.241 3.652 6.016 1.00 0.00 O
236ATOM 60 CB GLN A 9 1.300 1.708 8.371 1.00 0.00 C
237ATOM 61 CG GLN A 9 1.409 1.874 9.890 1.00 0.00 C
238ATOM 62 CD GLN A 9 2.855 1.655 10.324 1.00 0.00 C
239ATOM 63 OE1 GLN A 9 3.181 0.630 10.922 1.00 0.00 O
240ATOM 64 NE2 GLN A 9 3.749 2.566 10.054 1.00 0.00 N
241ATOM 65 N LEU A 10 0.409 4.525 7.988 1.00 0.00 N
242ATOM 66 CA LEU A 10 0.548 5.877 7.453 1.00 0.00 C
243ATOM 67 C LEU A 10 1.755 5.967 6.523 1.00 0.00 C
244ATOM 68 O LEU A 10 2.891 6.121 6.970 1.00 0.00 O
245ATOM 69 CB LEU A 10 0.719 6.889 8.588 1.00 0.00 C
246ATOM 70 CG LEU A 10 0.631 8.308 8.025 1.00 0.00 C
247ATOM 71 CD1 LEU A 10 -0.782 8.562 7.495 1.00 0.00 C
248ATOM 72 CD2 LEU A 10 0.946 9.316 9.132 1.00 0.00 C
249ATOM 73 N ILE A 11 1.491 5.874 5.223 1.00 0.00 N
250ATOM 74 CA ILE A 11 2.556 5.950 4.228 1.00 0.00 C
251ATOM 75 C ILE A 11 2.737 7.403 3.759 1.00 0.00 C
252ATOM 76 O ILE A 11 1.862 7.944 3.082 1.00 0.00 O
253ATOM 77 CB ILE A 11 2.212 5.077 3.016 1.00 0.00 C
254ATOM 78 CG1 ILE A 11 1.893 3.653 3.482 1.00 0.00 C
255ATOM 79 CG2 ILE A 11 3.404 5.039 2.056 1.00 0.00 C
256ATOM 80 CD1 ILE A 11 0.988 2.972 2.454 1.00 0.00 C
257ATOM 81 N PRO A 12 3.860 8.063 4.104 1.00 0.00 N
258ATOM 82 CA PRO A 12 4.093 9.460 3.688 1.00 0.00 C
259ATOM 83 C PRO A 12 4.624 9.570 2.261 1.00 0.00 C
260ATOM 84 O PRO A 12 4.999 8.573 1.643 1.00 0.00 O
261ATOM 85 CB PRO A 12 5.139 9.929 4.691 1.00 0.00 C
262ATOM 86 CG PRO A 12 5.860 8.687 5.201 1.00 0.00 C
263ATOM 87 CD PRO A 12 4.957 7.483 4.914 1.00 0.00 C
264ATOM 88 N ILE A 13 4.649 10.796 1.746 1.00 0.00 N
265ATOM 89 CA ILE A 13 5.134 11.035 0.390 1.00 0.00 C
266ATOM 90 C ILE A 13 6.662 10.957 0.349 1.00 0.00 C
267ATOM 91 O ILE A 13 7.336 11.171 1.357 1.00 0.00 O
268ATOM 92 CB ILE A 13 4.660 12.409 -0.112 1.00 0.00 C
269ATOM 93 CG1 ILE A 13 5.084 12.590 -1.574 1.00 0.00 C
270ATOM 94 CG2 ILE A 13 5.267 13.524 0.750 1.00 0.00 C
271ATOM 95 CD1 ILE A 13 4.538 13.915 -2.113 1.00 0.00 C
272ATOM 96 N ASN A 14 7.196 10.648 -0.830 1.00 0.00 N
273ATOM 97 CA ASN A 14 8.644 10.542 -1.002 1.00 0.00 C
274ATOM 98 C ASN A 14 9.215 9.463 -0.085 1.00 0.00 C
275ATOM 99 O ASN A 14 10.339 9.575 0.406 1.00 0.00 O
276ATOM 100 CB ASN A 14 9.323 11.877 -0.687 1.00 0.00 C
277ATOM 101 CG ASN A 14 9.074 12.857 -1.828 1.00 0.00 C
278ATOM 102 OD1 ASN A 14 9.316 12.538 -2.993 1.00 0.00 O
279ATOM 103 ND2 ASN A 14 8.598 14.043 -1.562 1.00 0.00 N
280ATOM 104 N THR A 15 8.426 8.416 0.138 1.00 0.00 N
281ATOM 105 CA THR A 15 8.859 7.318 0.997 1.00 0.00 C
282ATOM 106 C THR A 15 8.592 5.977 0.322 1.00 0.00 C
283ATOM 107 O THR A 15 7.707 5.857 -0.525 1.00 0.00 O
284ATOM 108 CB THR A 15 8.117 7.359 2.335 1.00 0.00 C
285ATOM 109 OG1 THR A 15 8.149 8.682 2.851 1.00 0.00 O
286ATOM 110 CG2 THR A 15 8.790 6.407 3.324 1.00 0.00 C
287ATOM 111 N ALA A 16 9.368 4.968 0.708 1.00 0.00 N
288ATOM 112 CA ALA A 16 9.208 3.635 0.135 1.00 0.00 C
289ATOM 113 C ALA A 16 8.190 2.830 0.936 1.00 0.00 C
290ATOM 114 O ALA A 16 8.032 3.026 2.141 1.00 0.00 O
291ATOM 115 CB ALA A 16 10.543 2.888 0.132 1.00 0.00 C
292ATOM 116 N LEU A 17 7.502 1.921 0.252 1.00 0.00 N
293ATOM 117 CA LEU A 17 6.499 1.087 0.907 1.00 0.00 C
294ATOM 118 C LEU A 17 7.161 -0.109 1.582 1.00 0.00 C
295ATOM 119 O LEU A 17 8.334 -0.401 1.350 1.00 0.00 O
296ATOM 120 CB LEU A 17 5.474 0.580 -0.110 1.00 0.00 C
297ATOM 121 CG LEU A 17 4.728 1.768 -0.719 1.00 0.00 C
298ATOM 122 CD1 LEU A 17 3.971 1.310 -1.967 1.00 0.00 C
299ATOM 123 CD2 LEU A 17 3.734 2.323 0.304 1.00 0.00 C
300ATOM 124 N THR A 18 6.394 -0.799 2.421 1.00 0.00 N
301ATOM 125 CA THR A 18 6.913 -1.966 3.128 1.00 0.00 C
302ATOM 126 C THR A 18 5.793 -2.967 3.393 1.00 0.00 C
303ATOM 127 O THR A 18 4.614 -2.662 3.217 1.00 0.00 O
304ATOM 128 CB THR A 18 7.537 -1.551 4.463 1.00 0.00 C
305ATOM 129 OG1 THR A 18 6.603 -0.773 5.199 1.00 0.00 O
306ATOM 130 CG2 THR A 18 8.799 -0.726 4.205 1.00 0.00 C
307ATOM 131 N LEU A 19 6.176 -4.167 3.821 1.00 0.00 N
308ATOM 132 CA LEU A 19 5.195 -5.210 4.110 1.00 0.00 C
309ATOM 133 C LEU A 19 4.267 -4.769 5.237 1.00 0.00 C
310ATOM 134 O LEU A 19 3.090 -5.129 5.270 1.00 0.00 O
311ATOM 135 CB LEU A 19 5.897 -6.507 4.521 1.00 0.00 C
312ATOM 136 CG LEU A 19 6.445 -7.208 3.277 1.00 0.00 C
313ATOM 137 CD1 LEU A 19 7.766 -6.557 2.864 1.00 0.00 C
314ATOM 138 CD2 LEU A 19 6.683 -8.687 3.590 1.00 0.00 C
315ATOM 139 N VAL A 20 4.811 -3.983 6.162 1.00 0.00 N
316ATOM 140 CA VAL A 20 4.026 -3.492 7.292 1.00 0.00 C
317ATOM 141 C VAL A 20 2.996 -2.464 6.827 1.00 0.00 C
318ATOM 142 O VAL A 20 1.940 -2.305 7.439 1.00 0.00 O
319ATOM 143 CB VAL A 20 4.938 -2.846 8.340 1.00 0.00 C
320ATOM 144 CG1 VAL A 20 4.126 -2.523 9.597 1.00 0.00 C
321ATOM 145 CG2 VAL A 20 6.067 -3.815 8.703 1.00 0.00 C
322ATOM 146 N MET A 21 3.314 -1.763 5.739 1.00 0.00 N
323ATOM 147 CA MET A 21 2.405 -0.750 5.206 1.00 0.00 C
324ATOM 148 C MET A 21 1.591 -1.311 4.043 1.00 0.00 C
325ATOM 149 O MET A 21 1.214 -0.583 3.124 1.00 0.00 O
326ATOM 150 CB MET A 21 3.190 0.470 4.717 1.00 0.00 C
327ATOM 151 CG MET A 21 3.970 1.078 5.884 1.00 0.00 C
328ATOM 152 SD MET A 21 4.767 2.611 5.345 1.00 0.00 S
329ATOM 153 CE MET A 21 6.162 1.849 4.481 1.00 0.00 C
330ATOM 154 N MET A 22 1.320 -2.613 4.092 1.00 0.00 N
331ATOM 155 CA MET A 22 0.545 -3.259 3.035 1.00 0.00 C
332ATOM 156 C MET A 22 -0.251 -4.432 3.599 1.00 0.00 C
333ATOM 157 O MET A 22 0.210 -5.141 4.494 1.00 0.00 O
334ATOM 158 CB MET A 22 1.466 -3.770 1.925 1.00 0.00 C
335ATOM 159 CG MET A 22 2.082 -2.582 1.183 1.00 0.00 C
336ATOM 160 SD MET A 22 2.399 -3.040 -0.540 1.00 0.00 S
337ATOM 161 CE MET A 22 3.451 -4.475 -0.210 1.00 0.00 C
338ATOM 162 N ARG A 23 -1.452 -4.627 3.064 1.00 0.00 N
339ATOM 163 CA ARG A 23 -2.310 -5.718 3.518 1.00 0.00 C
340ATOM 164 C ARG A 23 -3.363 -6.042 2.463 1.00 0.00 C
341ATOM 165 O ARG A 23 -3.660 -5.226 1.590 1.00 0.00 O
342ATOM 166 CB ARG A 23 -3.013 -5.341 4.824 1.00 0.00 C
343ATOM 167 CG ARG A 23 -3.761 -4.019 4.639 1.00 0.00 C
344ATOM 168 CD ARG A 23 -4.905 -3.935 5.652 1.00 0.00 C
345ATOM 169 NE ARG A 23 -5.337 -2.551 5.826 1.00 0.00 N
346ATOM 170 CZ ARG A 23 -6.060 -2.188 6.882 1.00 0.00 C
347ATOM 171 NH1 ARG A 23 -7.147 -2.842 7.185 1.00 0.00 N
348ATOM 172 NH2 ARG A 23 -5.681 -1.177 7.615 1.00 0.00 N
349ATOM 173 N SER A 24 -3.924 -7.244 2.553 1.00 0.00 N
350ATOM 174 CA SER A 24 -4.945 -7.671 1.600 1.00 0.00 C
351ATOM 175 C SER A 24 -6.339 -7.390 2.153 1.00 0.00 C
352ATOM 176 O SER A 24 -6.771 -8.006 3.127 1.00 0.00 O
353ATOM 177 CB SER A 24 -4.816 -9.167 1.311 1.00 0.00 C
354ATOM 178 OG SER A 24 -3.506 -9.441 0.833 1.00 0.00 O
355ATOM 179 N GLU A 25 -7.038 -6.452 1.519 1.00 0.00 N
356ATOM 180 CA GLU A 25 -8.385 -6.094 1.956 1.00 0.00 C
357ATOM 181 C GLU A 25 -9.237 -5.669 0.764 1.00 0.00 C
358ATOM 182 O GLU A 25 -8.729 -5.144 -0.226 1.00 0.00 O
359ATOM 183 CB GLU A 25 -8.335 -4.946 2.966 1.00 0.00 C
360ATOM 184 CG GLU A 25 -9.701 -4.797 3.638 1.00 0.00 C
361ATOM 185 CD GLU A 25 -9.630 -3.703 4.698 1.00 0.00 C
362ATOM 186 OE1 GLU A 25 -9.478 -2.552 4.324 1.00 0.00 O
363ATOM 187 OE2 GLU A 25 -9.730 -4.032 5.868 1.00 0.00 O
364ATOM 188 N VAL A 26 -10.542 -5.904 0.872 1.00 0.00 N
365ATOM 189 CA VAL A 26 -11.464 -5.542 -0.203 1.00 0.00 C
366ATOM 190 C VAL A 26 -11.788 -4.052 -0.145 1.00 0.00 C
367ATOM 191 O VAL A 26 -12.123 -3.515 0.911 1.00 0.00 O
368ATOM 192 CB VAL A 26 -12.765 -6.341 -0.088 1.00 0.00 C
369ATOM 193 CG1 VAL A 26 -13.630 -6.093 -1.326 1.00 0.00 C
370ATOM 194 CG2 VAL A 26 -12.441 -7.834 0.012 1.00 0.00 C
371ATOM 195 N VAL A 27 -11.685 -3.392 -1.296 1.00 0.00 N
372ATOM 196 CA VAL A 27 -11.970 -1.961 -1.372 1.00 0.00 C
373ATOM 197 C VAL A 27 -12.372 -1.574 -2.792 1.00 0.00 C
374ATOM 198 O VAL A 27 -12.337 -2.395 -3.708 1.00 0.00 O
375ATOM 199 CB VAL A 27 -10.741 -1.148 -0.964 1.00 0.00 C
376ATOM 200 CG1 VAL A 27 -10.435 -1.389 0.515 1.00 0.00 C
377ATOM 201 CG2 VAL A 27 -9.540 -1.581 -1.807 1.00 0.00 C
378ATOM 202 N THR A 28 -12.753 -0.311 -2.963 1.00 0.00 N
379ATOM 203 CA THR A 28 -13.159 0.179 -4.277 1.00 0.00 C
380ATOM 204 C THR A 28 -12.490 1.528 -4.573 1.00 0.00 C
381ATOM 205 O THR A 28 -12.292 2.334 -3.664 1.00 0.00 O
382ATOM 206 CB THR A 28 -14.680 0.350 -4.337 1.00 0.00 C
383ATOM 207 OG1 THR A 28 -15.044 0.924 -5.586 1.00 0.00 O
384ATOM 208 CG2 THR A 28 -15.140 1.262 -3.198 1.00 0.00 C
385ATOM 209 N PRO A 29 -12.129 1.797 -5.842 1.00 0.00 N
386ATOM 210 CA PRO A 29 -12.340 0.872 -6.979 1.00 0.00 C
387ATOM 211 C PRO A 29 -11.268 -0.213 -7.056 1.00 0.00 C
388ATOM 212 O PRO A 29 -10.246 -0.147 -6.373 1.00 0.00 O
389ATOM 213 CB PRO A 29 -12.253 1.806 -8.179 1.00 0.00 C
390ATOM 214 CG PRO A 29 -11.440 3.019 -7.742 1.00 0.00 C
391ATOM 215 CD PRO A 29 -11.477 3.069 -6.210 1.00 0.00 C
392ATOM 216 N VAL A 30 -11.517 -1.214 -7.895 1.00 0.00 N
393ATOM 217 CA VAL A 30 -10.569 -2.315 -8.055 1.00 0.00 C
394ATOM 218 C VAL A 30 -9.248 -1.804 -8.623 1.00 0.00 C
395ATOM 219 O VAL A 30 -9.133 -1.528 -9.817 1.00 0.00 O
396ATOM 220 CB VAL A 30 -11.138 -3.382 -8.995 1.00 0.00 C
397ATOM 221 CG1 VAL A 30 -10.222 -4.608 -8.993 1.00 0.00 C
398ATOM 222 CG2 VAL A 30 -12.534 -3.793 -8.516 1.00 0.00 C
399ATOM 223 N GLY A 31 -8.251 -1.686 -7.750 1.00 0.00 N
400ATOM 224 CA GLY A 31 -6.935 -1.213 -8.170 1.00 0.00 C
401ATOM 225 C GLY A 31 -5.959 -2.378 -8.285 1.00 0.00 C
402ATOM 226 O GLY A 31 -6.256 -3.396 -8.910 1.00 0.00 O
403ATOM 227 N ILE A 32 -4.790 -2.221 -7.669 1.00 0.00 N
404ATOM 228 CA ILE A 32 -3.778 -3.272 -7.704 1.00 0.00 C
405ATOM 229 C ILE A 32 -4.219 -4.451 -6.825 1.00 0.00 C
406ATOM 230 O ILE A 32 -4.757 -4.242 -5.738 1.00 0.00 O
407ATOM 231 CB ILE A 32 -2.436 -2.736 -7.193 1.00 0.00 C
408ATOM 232 CG1 ILE A 32 -2.055 -1.483 -7.987 1.00 0.00 C
409ATOM 233 CG2 ILE A 32 -1.352 -3.801 -7.373 1.00 0.00 C
410ATOM 234 CD1 ILE A 32 -0.861 -0.797 -7.320 1.00 0.00 C
411ATOM 235 N PRO A 33 -4.005 -5.704 -7.270 1.00 0.00 N
412ATOM 236 CA PRO A 33 -4.406 -6.882 -6.479 1.00 0.00 C
413ATOM 237 C PRO A 33 -3.403 -7.218 -5.378 1.00 0.00 C
414ATOM 238 O PRO A 33 -2.340 -6.605 -5.278 1.00 0.00 O
415ATOM 239 CB PRO A 33 -4.450 -7.984 -7.530 1.00 0.00 C
416ATOM 240 CG PRO A 33 -3.537 -7.551 -8.671 1.00 0.00 C
417ATOM 241 CD PRO A 33 -3.362 -6.032 -8.565 1.00 0.00 C
418ATOM 242 N ALA A 34 -3.755 -8.201 -4.552 1.00 0.00 N
419ATOM 243 CA ALA A 34 -2.880 -8.614 -3.455 1.00 0.00 C
420ATOM 244 C ALA A 34 -1.926 -9.732 -3.886 1.00 0.00 C
421ATOM 245 O ALA A 34 -1.353 -10.425 -3.045 1.00 0.00 O
422ATOM 246 CB ALA A 34 -3.714 -9.106 -2.270 1.00 0.00 C
423ATOM 247 N GLU A 35 -1.754 -9.909 -5.196 1.00 0.00 N
424ATOM 248 CA GLU A 35 -0.863 -10.949 -5.700 1.00 0.00 C
425ATOM 249 C GLU A 35 0.555 -10.407 -5.879 1.00 0.00 C
426ATOM 250 O GLU A 35 1.531 -11.154 -5.806 1.00 0.00 O
427ATOM 251 CB GLU A 35 -1.366 -11.479 -7.044 1.00 0.00 C
428ATOM 252 CG GLU A 35 -2.628 -12.315 -6.823 1.00 0.00 C
429ATOM 253 CD GLU A 35 -3.026 -12.992 -8.130 1.00 0.00 C
430ATOM 254 OE1 GLU A 35 -2.411 -13.990 -8.467 1.00 0.00 O
431ATOM 255 OE2 GLU A 35 -3.939 -12.503 -8.774 1.00 0.00 O
432ATOM 256 N ASP A 36 0.660 -9.102 -6.125 1.00 0.00 N
433ATOM 257 CA ASP A 36 1.966 -8.479 -6.323 1.00 0.00 C
434ATOM 258 C ASP A 36 2.421 -7.744 -5.064 1.00 0.00 C
435ATOM 259 O ASP A 36 3.151 -6.757 -5.138 1.00 0.00 O
436ATOM 260 CB ASP A 36 1.911 -7.484 -7.484 1.00 0.00 C
437ATOM 261 CG ASP A 36 1.538 -8.219 -8.766 1.00 0.00 C
438ATOM 262 OD1 ASP A 36 2.265 -9.125 -9.140 1.00 0.00 O
439ATOM 263 OD2 ASP A 36 0.530 -7.866 -9.356 1.00 0.00 O
440ATOM 264 N ILE A 37 1.991 -8.238 -3.906 1.00 0.00 N
441ATOM 265 CA ILE A 37 2.372 -7.619 -2.637 1.00 0.00 C
442ATOM 266 C ILE A 37 3.905 -7.588 -2.471 1.00 0.00 C
443ATOM 267 O ILE A 37 4.458 -6.547 -2.116 1.00 0.00 O
444ATOM 268 CB ILE A 37 1.726 -8.358 -1.456 1.00 0.00 C
445ATOM 269 CG1 ILE A 37 0.205 -8.316 -1.617 1.00 0.00 C
446ATOM 270 CG2 ILE A 37 2.105 -7.682 -0.133 1.00 0.00 C
447ATOM 271 CD1 ILE A 37 -0.437 -9.352 -0.693 1.00 0.00 C
448ATOM 272 N PRO A 38 4.621 -8.702 -2.724 1.00 0.00 N
449ATOM 273 CA PRO A 38 6.092 -8.711 -2.585 1.00 0.00 C
450ATOM 274 C PRO A 38 6.802 -7.995 -3.736 1.00 0.00 C
451ATOM 275 O PRO A 38 7.967 -7.614 -3.620 1.00 0.00 O
452ATOM 276 CB PRO A 38 6.419 -10.198 -2.581 1.00 0.00 C
453ATOM 277 CG PRO A 38 5.271 -10.905 -3.284 1.00 0.00 C
454ATOM 278 CD PRO A 38 4.044 -10.000 -3.161 1.00 0.00 C
455ATOM 279 N ARG A 39 6.087 -7.809 -4.845 1.00 0.00 N
456ATOM 280 CA ARG A 39 6.662 -7.130 -6.004 1.00 0.00 C
457ATOM 281 C ARG A 39 6.635 -5.614 -5.811 1.00 0.00 C
458ATOM 282 O ARG A 39 7.446 -4.889 -6.387 1.00 0.00 O
459ATOM 283 CB ARG A 39 5.883 -7.484 -7.272 1.00 0.00 C
460ATOM 284 CG ARG A 39 6.261 -8.896 -7.726 1.00 0.00 C
461ATOM 285 CD ARG A 39 5.771 -9.120 -9.157 1.00 0.00 C
462ATOM 286 NE ARG A 39 5.848 -10.535 -9.512 1.00 0.00 N
463ATOM 287 CZ ARG A 39 5.822 -10.924 -10.783 1.00 0.00 C
464ATOM 288 NH1 ARG A 39 6.843 -10.687 -11.559 1.00 0.00 N
465ATOM 289 NH2 ARG A 39 4.775 -11.545 -11.254 1.00 0.00 N
466ATOM 290 N LEU A 40 5.693 -5.139 -4.994 1.00 0.00 N
467ATOM 291 CA LEU A 40 5.572 -3.706 -4.736 1.00 0.00 C
468ATOM 292 C LEU A 40 6.256 -3.337 -3.421 1.00 0.00 C
469ATOM 293 O LEU A 40 5.801 -2.454 -2.693 1.00 0.00 O
470ATOM 294 CB LEU A 40 4.098 -3.299 -4.659 1.00 0.00 C
471ATOM 295 CG LEU A 40 3.540 -3.116 -6.072 1.00 0.00 C
472ATOM 296 CD1 LEU A 40 2.874 -4.415 -6.531 1.00 0.00 C
473ATOM 297 CD2 LEU A 40 2.505 -1.989 -6.069 1.00 0.00 C
474ATOM 298 N VAL A 41 7.356 -4.023 -3.123 1.00 0.00 N
475ATOM 299 CA VAL A 41 8.096 -3.759 -1.891 1.00 0.00 C
476ATOM 300 C VAL A 41 9.127 -2.657 -2.117 1.00 0.00 C
477ATOM 301 O VAL A 41 9.831 -2.640 -3.126 1.00 0.00 O
478ATOM 302 CB VAL A 41 8.811 -5.027 -1.412 1.00 0.00 C
479ATOM 303 CG1 VAL A 41 9.450 -4.774 -0.044 1.00 0.00 C
480ATOM 304 CG2 VAL A 41 7.798 -6.168 -1.292 1.00 0.00 C
481ATOM 305 N SER A 42 9.206 -1.737 -1.159 1.00 0.00 N
482ATOM 306 CA SER A 42 10.156 -0.628 -1.250 1.00 0.00 C
483ATOM 307 C SER A 42 9.869 0.224 -2.485 1.00 0.00 C
484ATOM 308 O SER A 42 10.784 0.687 -3.168 1.00 0.00 O
485ATOM 309 CB SER A 42 11.590 -1.156 -1.323 1.00 0.00 C
486ATOM 310 OG SER A 42 11.884 -1.881 -0.136 1.00 0.00 O
487ATOM 311 N MET A 43 8.584 0.428 -2.761 1.00 0.00 N
488ATOM 312 CA MET A 43 8.182 1.229 -3.914 1.00 0.00 C
489ATOM 313 C MET A 43 7.819 2.644 -3.475 1.00 0.00 C
490ATOM 314 O MET A 43 6.995 2.841 -2.581 1.00 0.00 O
491ATOM 315 CB MET A 43 6.976 0.598 -4.611 1.00 0.00 C
492ATOM 316 CG MET A 43 7.411 -0.685 -5.323 1.00 0.00 C
493ATOM 317 SD MET A 43 8.459 -0.264 -6.738 1.00 0.00 S
494ATOM 318 CE MET A 43 7.150 -0.223 -7.986 1.00 0.00 C
495ATOM 319 N GLN A 44 8.444 3.629 -4.114 1.00 0.00 N
496ATOM 320 CA GLN A 44 8.183 5.027 -3.782 1.00 0.00 C
497ATOM 321 C GLN A 44 6.893 5.501 -4.444 1.00 0.00 C
498ATOM 322 O GLN A 44 6.659 5.259 -5.628 1.00 0.00 O
499ATOM 323 CB GLN A 44 9.337 5.914 -4.252 1.00 0.00 C
500ATOM 324 CG GLN A 44 10.584 5.616 -3.417 1.00 0.00 C
501ATOM 325 CD GLN A 44 11.675 6.626 -3.753 1.00 0.00 C
502ATOM 326 OE1 GLN A 44 11.572 7.801 -3.401 1.00 0.00 O
503ATOM 327 NE2 GLN A 44 12.726 6.235 -4.421 1.00 0.00 N
504ATOM 328 N VAL A 45 6.058 6.182 -3.663 1.00 0.00 N
505ATOM 329 CA VAL A 45 4.790 6.690 -4.180 1.00 0.00 C
506ATOM 330 C VAL A 45 4.948 8.135 -4.646 1.00 0.00 C
507ATOM 331 O VAL A 45 5.857 8.845 -4.215 1.00 0.00 O
508ATOM 332 CB VAL A 45 3.706 6.629 -3.103 1.00 0.00 C
509ATOM 333 CG1 VAL A 45 3.412 5.169 -2.757 1.00 0.00 C
510ATOM 334 CG2 VAL A 45 4.191 7.361 -1.849 1.00 0.00 C
511ATOM 335 N ASN A 46 4.055 8.559 -5.535 1.00 0.00 N
512ATOM 336 CA ASN A 46 4.107 9.922 -6.059 1.00 0.00 C
513ATOM 337 C ASN A 46 3.497 10.912 -5.063 1.00 0.00 C
514ATOM 338 O ASN A 46 3.899 12.074 -5.000 1.00 0.00 O
515ATOM 339 CB ASN A 46 3.369 10.020 -7.407 1.00 0.00 C
516ATOM 340 CG ASN A 46 1.872 9.749 -7.230 1.00 0.00 C
517ATOM 341 OD1 ASN A 46 1.471 8.929 -6.406 1.00 0.00 O
518ATOM 342 ND2 ASN A 46 1.016 10.400 -7.968 1.00 0.00 N
519ATOM 343 N ARG A 47 2.525 10.438 -4.288 1.00 0.00 N
520ATOM 344 CA ARG A 47 1.871 11.293 -3.300 1.00 0.00 C
521ATOM 345 C ARG A 47 1.741 10.566 -1.965 1.00 0.00 C
522ATOM 346 O ARG A 47 2.182 9.426 -1.816 1.00 0.00 O
523ATOM 347 CB ARG A 47 0.478 11.705 -3.783 1.00 0.00 C
524ATOM 348 CG ARG A 47 -0.348 10.457 -4.103 1.00 0.00 C
525ATOM 349 CD ARG A 47 -1.706 10.873 -4.670 1.00 0.00 C
526ATOM 350 NE ARG A 47 -2.528 11.494 -3.634 1.00 0.00 N
527ATOM 351 CZ ARG A 47 -3.853 11.532 -3.742 1.00 0.00 C
528ATOM 352 NH1 ARG A 47 -4.411 12.226 -4.697 1.00 0.00 N
529ATOM 353 NH2 ARG A 47 -4.596 10.876 -2.894 1.00 0.00 N
530ATOM 354 N ALA A 48 1.129 11.240 -0.996 1.00 0.00 N
531ATOM 355 CA ALA A 48 0.942 10.653 0.327 1.00 0.00 C
532ATOM 356 C ALA A 48 -0.305 9.775 0.348 1.00 0.00 C
533ATOM 357 O ALA A 48 -1.398 10.215 -0.006 1.00 0.00 O
534ATOM 358 CB ALA A 48 0.798 11.748 1.385 1.00 0.00 C
535ATOM 359 N VAL A 49 -0.126 8.525 0.768 1.00 0.00 N
536ATOM 360 CA VAL A 49 -1.242 7.586 0.833 1.00 0.00 C
537ATOM 361 C VAL A 49 -1.484 7.149 2.286 1.00 0.00 C
538ATOM 362 O VAL A 49 -0.678 6.409 2.849 1.00 0.00 O
539ATOM 363 CB VAL A 49 -0.943 6.344 -0.013 1.00 0.00 C
540ATOM 364 CG1 VAL A 49 -2.190 5.461 -0.083 1.00 0.00 C
541ATOM 365 CG2 VAL A 49 -0.547 6.774 -1.428 1.00 0.00 C
542ATOM 366 N PRO A 50 -2.588 7.591 2.921 1.00 0.00 N
543ATOM 367 CA PRO A 50 -2.879 7.210 4.316 1.00 0.00 C
544ATOM 368 C PRO A 50 -3.501 5.820 4.428 1.00 0.00 C
545ATOM 369 O PRO A 50 -3.659 5.112 3.434 1.00 0.00 O
546ATOM 370 CB PRO A 50 -3.869 8.283 4.750 1.00 0.00 C
547ATOM 371 CG PRO A 50 -4.526 8.823 3.486 1.00 0.00 C
548ATOM 372 CD PRO A 50 -3.604 8.481 2.311 1.00 0.00 C
549ATOM 373 N LEU A 51 -3.849 5.438 5.654 1.00 0.00 N
550ATOM 374 CA LEU A 51 -4.452 4.130 5.893 1.00 0.00 C
551ATOM 375 C LEU A 51 -5.820 4.040 5.225 1.00 0.00 C
552ATOM 376 O LEU A 51 -6.520 5.041 5.071 1.00 0.00 O
553ATOM 377 CB LEU A 51 -4.613 3.881 7.394 1.00 0.00 C
554ATOM 378 CG LEU A 51 -3.242 3.612 8.017 1.00 0.00 C
555ATOM 379 CD1 LEU A 51 -2.565 4.940 8.357 1.00 0.00 C
556ATOM 380 CD2 LEU A 51 -3.418 2.789 9.296 1.00 0.00 C
557ATOM 381 N GLY A 52 -6.193 2.825 4.831 1.00 0.00 N
558ATOM 382 CA GLY A 52 -7.481 2.606 4.180 1.00 0.00 C
559ATOM 383 C GLY A 52 -7.548 3.344 2.847 1.00 0.00 C
560ATOM 384 O GLY A 52 -8.437 4.164 2.619 1.00 0.00 O
561ATOM 385 N THR A 53 -6.596 3.042 1.970 1.00 0.00 N
562ATOM 386 CA THR A 53 -6.553 3.681 0.657 1.00 0.00 C
563ATOM 387 C THR A 53 -6.101 2.684 -0.404 1.00 0.00 C
564ATOM 388 O THR A 53 -5.037 2.075 -0.293 1.00 0.00 O
565ATOM 389 CB THR A 53 -5.587 4.869 0.670 1.00 0.00 C
566ATOM 390 OG1 THR A 53 -5.856 5.683 1.802 1.00 0.00 O
567ATOM 391 CG2 THR A 53 -5.770 5.690 -0.607 1.00 0.00 C
568ATOM 392 N THR A 54 -6.925 2.523 -1.436 1.00 0.00 N
569ATOM 393 CA THR A 54 -6.605 1.595 -2.517 1.00 0.00 C
570ATOM 394 C THR A 54 -5.316 2.014 -3.217 1.00 0.00 C
571ATOM 395 O THR A 54 -5.178 3.151 -3.669 1.00 0.00 O
572ATOM 396 CB THR A 54 -7.740 1.556 -3.544 1.00 0.00 C
573ATOM 397 OG1 THR A 54 -8.988 1.626 -2.869 1.00 0.00 O
574ATOM 398 CG2 THR A 54 -7.663 0.255 -4.345 1.00 0.00 C
575ATOM 399 N LEU A 55 -4.373 1.080 -3.301 1.00 0.00 N
576ATOM 400 CA LEU A 55 -3.094 1.358 -3.948 1.00 0.00 C
577ATOM 401 C LEU A 55 -3.195 1.116 -5.450 1.00 0.00 C
578ATOM 402 O LEU A 55 -3.361 -0.017 -5.901 1.00 0.00 O
579ATOM 403 CB LEU A 55 -1.994 0.465 -3.371 1.00 0.00 C
580ATOM 404 CG LEU A 55 -0.628 1.090 -3.654 1.00 0.00 C
581ATOM 405 CD1 LEU A 55 -0.366 2.216 -2.653 1.00 0.00 C
582ATOM 406 CD2 LEU A 55 0.459 0.023 -3.516 1.00 0.00 C
583ATOM 407 N MET A 56 -3.092 2.196 -6.218 1.00 0.00 N
584ATOM 408 CA MET A 56 -3.173 2.095 -7.672 1.00 0.00 C
585ATOM 409 C MET A 56 -1.770 2.003 -8.280 1.00 0.00 C
586ATOM 410 O MET A 56 -0.790 2.395 -7.647 1.00 0.00 O
587ATOM 411 CB MET A 56 -3.890 3.315 -8.255 1.00 0.00 C
588ATOM 412 CG MET A 56 -5.357 3.299 -7.823 1.00 0.00 C
589ATOM 413 SD MET A 56 -6.242 4.649 -8.643 1.00 0.00 S
590ATOM 414 CE MET A 56 -7.919 4.049 -8.320 1.00 0.00 C
591ATOM 415 N PRO A 57 -1.649 1.483 -9.514 1.00 0.00 N
592ATOM 416 CA PRO A 57 -0.340 1.354 -10.179 1.00 0.00 C
593ATOM 417 C PRO A 57 0.126 2.658 -10.824 1.00 0.00 C
594ATOM 418 O PRO A 57 1.323 2.889 -10.994 1.00 0.00 O
595ATOM 419 CB PRO A 57 -0.616 0.293 -11.237 1.00 0.00 C
596ATOM 420 CG PRO A 57 -2.114 0.318 -11.517 1.00 0.00 C
597ATOM 421 CD PRO A 57 -2.793 0.996 -10.322 1.00 0.00 C
598ATOM 422 N ASP A 58 -0.834 3.507 -11.181 1.00 0.00 N
599ATOM 423 CA ASP A 58 -0.510 4.786 -11.807 1.00 0.00 C
600ATOM 424 C ASP A 58 0.187 5.707 -10.810 1.00 0.00 C
601ATOM 425 O ASP A 58 1.044 6.510 -11.179 1.00 0.00 O
602ATOM 426 CB ASP A 58 -1.781 5.472 -12.314 1.00 0.00 C
603ATOM 427 CG ASP A 58 -2.789 5.582 -11.175 1.00 0.00 C
604ATOM 428 OD1 ASP A 58 -2.708 6.545 -10.430 1.00 0.00 O
605ATOM 429 OD2 ASP A 58 -3.626 4.702 -11.064 1.00 0.00 O
606ATOM 430 N MET A 59 -0.193 5.583 -9.542 1.00 0.00 N
607ATOM 431 CA MET A 59 0.401 6.409 -8.494 1.00 0.00 C
608ATOM 432 C MET A 59 1.782 5.883 -8.118 1.00 0.00 C
609ATOM 433 O MET A 59 2.683 6.649 -7.774 1.00 0.00 O
610ATOM 434 CB MET A 59 -0.486 6.413 -7.247 1.00 0.00 C
611ATOM 435 CG MET A 59 -1.748 7.232 -7.520 1.00 0.00 C
612ATOM 436 SD MET A 59 -2.643 7.497 -5.969 1.00 0.00 S
613ATOM 437 CE MET A 59 -3.436 5.873 -5.884 1.00 0.00 C
614ATOM 438 N VAL A 60 1.938 4.564 -8.187 1.00 0.00 N
615ATOM 439 CA VAL A 60 3.214 3.938 -7.852 1.00 0.00 C
616ATOM 440 C VAL A 60 4.186 4.055 -9.023 1.00 0.00 C
617ATOM 441 O VAL A 60 4.055 3.359 -10.030 1.00 0.00 O
618ATOM 442 CB VAL A 60 3.009 2.458 -7.510 1.00 0.00 C
619ATOM 443 CG1 VAL A 60 4.323 1.858 -7.002 1.00 0.00 C
620ATOM 444 CG2 VAL A 60 1.940 2.330 -6.422 1.00 0.00 C
621ATOM 445 N LYS A 61 5.163 4.946 -8.877 1.00 0.00 N
622ATOM 446 CA LYS A 61 6.156 5.152 -9.927 1.00 0.00 C
623ATOM 447 C LYS A 61 7.046 3.921 -10.069 1.00 0.00 C
624ATOM 448 O LYS A 61 7.708 3.503 -9.120 1.00 0.00 O
625ATOM 449 CB LYS A 61 7.032 6.365 -9.606 1.00 0.00 C
626ATOM 450 CG LYS A 61 6.190 7.640 -9.685 1.00 0.00 C
627ATOM 451 CD LYS A 61 7.106 8.863 -9.598 1.00 0.00 C
628ATOM 452 CE LYS A 61 6.300 10.128 -9.900 1.00 0.00 C
629ATOM 453 NZ LYS A 61 7.185 11.321 -9.778 1.00 0.00 N
630ATOM 454 N GLY A 62 7.051 3.346 -11.268 1.00 0.00 N
631ATOM 455 CA GLY A 62 7.862 2.159 -11.529 1.00 0.00 C
632ATOM 456 C GLY A 62 6.977 0.932 -11.719 1.00 0.00 C
633ATOM 457 O GLY A 62 7.311 0.019 -12.475 1.00 0.00 O
634ATOM 458 N TYR A 63 5.844 0.923 -11.024 1.00 0.00 N
635ATOM 459 CA TYR A 63 4.911 -0.196 -11.121 1.00 0.00 C
636ATOM 460 C TYR A 63 3.903 0.049 -12.241 1.00 0.00 C
637ATOM 461 O TYR A 63 3.213 1.068 -12.263 1.00 0.00 O
638ATOM 462 CB TYR A 63 4.158 -0.379 -9.801 1.00 0.00 C
639ATOM 463 CG TYR A 63 3.359 -1.660 -9.846 1.00 0.00 C
640ATOM 464 CD1 TYR A 63 4.024 -2.915 -9.812 1.00 0.00 C
641ATOM 465 CD2 TYR A 63 1.942 -1.608 -9.923 1.00 0.00 C
642ATOM 466 CE1 TYR A 63 3.271 -4.119 -9.855 1.00 0.00 C
643ATOM 467 CE2 TYR A 63 1.188 -2.812 -9.966 1.00 0.00 C
644ATOM 468 CZ TYR A 63 1.852 -4.068 -9.932 1.00 0.00 C
645ATOM 469 OH TYR A 63 1.121 -5.237 -9.975 1.00 0.00 O
646ATOM 470 N ALA A 64 3.829 -0.899 -13.171 1.00 0.00 N
647ATOM 471 CA ALA A 64 2.903 -0.779 -14.294 1.00 0.00 C
648ATOM 472 C ALA A 64 2.198 -2.108 -14.546 1.00 0.00 C
649ATOM 473 O ALA A 64 2.837 -3.127 -14.808 1.00 0.00 O
650ATOM 474 CB ALA A 64 3.650 -0.363 -15.562 1.00 0.00 C
651ATOM 475 N ALA A 65 0.870 -2.084 -14.463 1.00 0.00 N
652ATOM 476 CA ALA A 65 0.076 -3.293 -14.683 1.00 0.00 C
653ATOM 477 C ALA A 65 0.444 -4.367 -13.664 1.00 0.00 C
654ATOM 478 O ALA A 65 0.029 -5.499 -13.850 1.00 0.00 O
655ATOM 479 CB ALA A 65 0.311 -3.842 -16.092 1.00 0.00 C
656TER 480 ALA A 65
657MASTER 118 0 0 1 2 0 2 6 479 1 0 6
658END
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