WO2006084471A2 - Method of rational drug design based on binding ability with elongation factor tu - Google Patents

Method of rational drug design based on binding ability with elongation factor tu Download PDF

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WO2006084471A2
WO2006084471A2 PCT/DK2006/000077 DK2006000077W WO2006084471A2 WO 2006084471 A2 WO2006084471 A2 WO 2006084471A2 DK 2006000077 W DK2006000077 W DK 2006000077W WO 2006084471 A2 WO2006084471 A2 WO 2006084471A2
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atom
glu
val
thr
ile
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PCT/DK2006/000077
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WO2006084471A3 (en
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Poul Nissen
Andrea Parmeggiani
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Aarhus Universitet
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    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50Molecular design, e.g. of drugs
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30Drug targeting using structural data; Docking or binding prediction
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment

Definitions

  • a method of rational drug design based upon the surprising discovery that the structurally very different antibiotics enacyloxin Ha and kirromycin bind with Elongation Factor Tu (EF- Tu) in a similar manner allows for new chemical entities and new antibiotics to be developed.
  • the invention defines new antibiotics which are structural hybrids of enacyloxin Ha and kirromycin; the new antibiotics combining critical moieties of each of the parent molecules.
  • US 6,684,162 discloses the crystal structure of Acyl Carrier Protein Synthase (ACPS) complexed with Acyl Carrier Protein (ACP) and the solution structure of B. subtilis ACP. Further disclosed is a method for rational drug design based on the crystal shape and dimensions, wherein the active site is identified from the three-dimensional model of the structure and subsequent computer fitting is used to identify possible antibacterial agents.
  • ACPS Acyl Carrier Protein Synthase
  • ACP Acyl Carrier Protein
  • B. subtilis ACP B. subtilis ACP
  • WO 03/060100 discloses DnaG primase proteins complexed with manganese and sulfate ligands. Further disclosed is a method of rational drug design based on the atomic coordinates of the three-dimensional crystal structure of the complex, selecting potential antibacterial agents with computer modelling and subsequent testing of the activity.
  • EP 1 302 538 discloses the three-dimensional crystal structure of human sorbitol dehydrogenase (hSDH) complexed with a ligand. This structure again serves as a basis for a computer based method of identifying new ligands.
  • hSDH human sorbitol dehydrogenase
  • the present invention compares and contrasts the structural relationship of two key ligands to EF-Tu to their complexation and activity on the protein. This comparison is possible in the present case due to the unique and surprising discovery that the structurally different ligands bind EF-Tu in such a similar manner. Yet, at once, the differences in the binding pattern allow for contrasting of the ligands.
  • Elongation factor (EF-) Tu a ubiquitous, highly conserved, abundant protein, is an essential component of bacterial protein synthesis and one of the best studied GTPases. GTPases cycle between an active GTP-bound and an inactive GDP-bound state, that is controlled by the GDP/GTP exchange and GTP hydrolysis, two reactions regulated in EF-Tu by EF-Ts and the ribosome, respectively.
  • EF-Tu «GTP is the carrier of aa-tRNA to the mRNA-programmed ribosome, where codon-anticodon interaction triggers a fast ⁇ - phosphate hydrolysis of GTP.
  • codon-anticodon interaction triggers a fast ⁇ - phosphate hydrolysis of GTP.
  • EF-Tu is thus an important target for inhibitors of protein synthesis.
  • Thermus thermophilus (Tt) EF-Tu»GDP in complex with methylkirromycin confirmed that the drug binds in the domain-1,3 interface, inducing a unique, compact EF-Tu* GTP- 1 ike conformation (Vogeley et al., 2002).
  • This invention is a result, at least in part, of the surprising discovery of the similar binding of enacyloxin Ha and kirromycin to of EF-Tu.
  • the present inventors have investigated a method of rational drug design comprising combination of the "head and body of enacyloxin Ha” and "hydrophobic tail of kirromycin", compounds resulting from the design, and a library comprising a plurality of said hybrid compounds. Furthermore, an assay for screening said library and computer based method of generating said compounds have been investigated.
  • a first aspect of the invention is a method of rational drug design comprising combining structural features of enacyloxin Ha and kirromycin to arrive at a compound of formula Ha,
  • Z comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with Tyrl60, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 into account;
  • LM 2 are independently absent or selected from the group consisting of O and NH;
  • L 3 is O or S;
  • R 4 , R 5 are independently selected from H, AIk, Cl, Br, and I;
  • K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24;
  • n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and Tyrl ⁇ O on one side and Argl23 and Glnl24 on the other side into account;
  • V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from AIk, OH, OAIk, NH 2 , F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7; I is an integer from 3 to 7; and
  • X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, Vall25, and
  • a second aspect of the invention is a method for rational drug design by evaluating the potential of a chemical entity to associate with: a) a molecule or molecular complex comprising a binding pocket defined by structure coordinates of EF-Tu domain 1 and 3 amino acids Arg 123, Glnl24, Vall25, Tyri60, Arg333, Arg373, Phe374, and Ala375 according to table III; or b) a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Angstroms comprising the steps of:
  • a third aspect of the invention is a compound of the formula I:
  • Z is absent or an optionally substituted aromatic or non-aromatic, cyclic or heterocyclic ring structure with 4 - 10 atoms in the ring(s) selected from C, O, N, and S;
  • L is a linker which is absent or selected from the group consisting of -C(O)-, -
  • Fat comprises an optionally substituted straight aliphatic chain with 2 - 20 carbon atoms, optionally having 1 to 4 carbon atoms replaced by nitrogen, oxygen, or sulphur, which has fully conjugated double bonds, is mono- or polyunsaturated, or saturated;
  • Y comprises a 5-, 6-, or 7-membered cyclic or heterocyclic ring, the heteroatoms being selected from O, N, and S, substituted with 1 to 10 substituents selected from the group consisting of AIk, OH, NH 2 , F, Cl, Br, and I, preferred substituents being methyl and OH;
  • X is an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, such as 2 to 8, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, or S.
  • the compound of formula I is a compound of formula Ha:
  • L 1 , L 2 are independently absent or selected from the group consisting of O and NH; is O or S;
  • R 4 R b are independently selected from H, AIk, Cl, Br, and I;
  • K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and Tyrl ⁇ O on one side and Argl23 and Glnl24 on the other side into account;
  • V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from AIk, OH, OAIk, NH 2 , F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7; is an integer from 3 to 7; and X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, Vall25, and
  • a further aspect is a library comprising a plurality of species of conjugate compounds defined supra.
  • an important aspect of the invention relates to the use of any one of the compounds from said library of conjugate compounds as ligands for EF-Tu or for the preparation of antibiotics.
  • aspects of the invention include a method of inhibiting EF-Tu activity comprising administering a compound of formula I, II, III, IV, or V as defined supra and a method of providing antibacterial effect in or on a human or animal comprising administering a compound of formula I, II, III, IV, or V as defined supra.
  • Figure 1 shows a superposition of the structures of Enacyloxin Ha and Kirromycin in complex with EF-Tu.
  • the middle "body” parts are roughly in the same plane and together they appear to be forming a ring structure.
  • Kirromycin is surrounded ( ⁇ 3.8 A) by 19 amino acids (8 from domain 1 and 11 from domain 3), of which 4 from domain 1 and 4 from domain 3 are common to enacyloxin Ha, and makes five hydrogen bonds with EF-Tu, of which one is shared by two atomic groups of the same amino acid (Argl23(124) N ⁇ and N ⁇ l).
  • the three hydrogen-bonding residues, Argl23(I24), Glnl24(125J and Tyrl60(161) are in common with enacyloxin Ha.
  • Tyrl60(I6_?) hydroxy is part of a three-centered hydrogen bond with Argll6(117) and the pyridone ring OH(4) of kirromycin, as with the hexane-carboxy group of enacyloxin Ha.
  • Kirromycin is practically wrapped around the aliphatic chain of Glnl24(125j with several contacts, whereas enacyloxin Ha steers around this residue.
  • the "heads" of enacyloxin IIa and kirromycin point in opposite directions at right angles to the body of the antibiotics
  • Glnl24 in EF-Tu(Ec) and Glnl25 in EF-Tu(Ec) occupy substantially the same position in the enacyloxin IIa and kirromycin complexes respectively.
  • the distance is defined in terms of the coordinates given for the atoms of the amino acid residues in the complexed EF-Tu in Table III.
  • binding distances the distances are given for the atoms in the amino acid residues of EF-Tu that do the actual binding.
  • a unique feature of the enacyloxin Ha binding is the presence of a salt bridge linking the carboxyl group of the hexane ring with Lys313 N ⁇ , but the most important difference from kirromycin concerns its short hydrophobic tail that borders but does not enter the near hydrophobic pocket lacking ordered water molecules, whereas the longer hydrophobic tail of kirromycin fits this pocket. This divergence is a major reason for the lower binding affinity of enacyloxin Ha, that is evident by comparing the ability of the two antibiotics to restore the EF-Tu-dependent poly(Phe) synthesis after gel filtration.
  • One aspect of the invention is a method of rational drug design comprising combining structural features of enacyloxin Ha and kirromycin to arrive at a compound of formula Ha,
  • Z comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with Tyrl ⁇ O, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and TyrlGO into account;
  • L 1 , L 2 are independently absent or selected from the group consisting of O and NH;
  • L 3 is O or S;
  • R 4 , R 5 are independently selected from H, AIk, Cl, Br, and I; 6 000077
  • K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 on one side and Argl23 and Glnl24 on the other side into account; V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from AIk, OH, OAIk, NH 2 , F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
  • I is an integer from 3 to 7;
  • X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, Vall25, and
  • this method is a computer based method of generating compounds for rational drug design having a prescribed set of structural features, the method comprising the steps of:
  • the invention relates to a method for rational drug design by evaluating the potential of a chemical entity to associate with: a) a molecule or molecular complex comprising a binding pocket defined by structure coordinates of EF-Tu domain 1 and 3 amino acids Arg 123, Glnl24, Vall25, Tyrl ⁇ O, Arg333, Arg373, Phe374, and Ala375; or b) a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Angstroms comprising the steps of:
  • said chemical entity can associate with said binding pocket such that the binding distances with amino acids Argl23, Glnl24, and Tyrl60 are less than 3.75 Angstroms, such as 2.0 to 3.5 Angstroms, and binding distances with amino acids Vali25, Arg333, Arg373, Phe374, and Ala375 are 2 to 3.8 Angstroms, preferably 3.5 to 3.8 Angstroms.
  • an important aspect of the invention relates to the use of any one of the compounds from said library of conjugate compounds as ligands for EF-Tu or for the preparation of antibiotics.
  • aspects of the invention include a method of inhibiting EF-Tu activity comprising administering a compound of formula I, II, III, IV, or V as defined supra and a method of providing antibacterial effect in or on a human or animal comprising administering a compound of formula I, II, III, IV, or V as defined supra.
  • a still further aspect is a high throughput assay comprising testing said library for activity towards EF-Tu.
  • One particularly interesting embodiment is the computer-based method for rational drug design defined supra comprising said assay.
  • AIk is throughout this application intended to mean C 1-4 alkyl, such as methyl, ethyl, n-propyl, iso-propyl, n-butyl, iso-butyl, sec-butyl, or tert-butyl.
  • substituents such as 1 to 5 substituents, preferably 1 to 3 substituents, most preferably 1 to 2 substituents, which may be selected from hydroxy, Ci_ e -alkyl, C 1-5 -alkoxy, C 2 - 6 -alkenyloxy, oxo, carboxy, C 1-6 -alkoxycarbonyl, C],- 6 -alkylcarbonyl, formyl, aryl, aryloxy, arylamino, aryloxycarbonyl, arylcarbonyl, heteroaryl, heteroarylamino, amino, mono- and di(C 1 .
  • substituents such as 1 to 5 substituents, preferably 1 to 3 substituents, most preferably 1 to 2 substituents, which may be selected from hydroxy, Ci_ e -alkyl, C 1-5 -alkoxy, C 2 - 6 -alkenyloxy, oxo, carboxy, C 1-6 -alkoxycarbonyl, C],
  • halogen includes fluorine, chlorine, bromine and iodine.
  • binding pocket refers to a region of a molecule or molecular complex, that, as a result of its shape, favourably associates with another chemical entity or compound.
  • binding pockets many drugs exert their biological effects through association with the binding pockets of receptors and enzymes. Such associations may occur with all or any parts of the binding pockets.
  • association refers to a condition of proximity between chemical entities or compounds, or portions thereof.
  • the association may be non-covalent — wherein the juxtaposition is energetically favored by hydrogen bonding or van der Waals or electrostatic interactions — or it may be covalent.
  • Another aspect of the invention is a compound of the formula I:
  • Z is absent or an optionally substituted aromatic or non-aromatic, cyclic or heterocyclic ring structure with 4 - 10 atoms in the ring(s) selected from C,
  • L is a linker which is absent or selected from the group consisting of -C(O)-, -
  • Fat comprises an optionally substituted straight aliphatic chain with 2 - 20 carbon atoms, optionally having 1 to 4 carbon atoms replaced by nitrogen, oxygen, or sulphur, which has fully conjugated double bonds, is mono- or polyunsaturated, or saturated;
  • Y comprises a 5-, 6-, or 7-membered cyclic or heterocyclic ring, the heteroatoms being selected from O, N, and S, substituted with 1 to 10 substituents selected from the group consisting of AIk, OH, NH 2 , F, Cl, Br, and I, preferred substituents being methyl and OH;
  • X is an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, such as 2 to 8, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, or S.
  • the compounds of the present invention need not merely be a simple hybrid of Kirromycin and Enacyloxin Ha wherein a part of one molecule is pieced together with the opposite part of the other molecule. It is contemplated that it may also be a superposition of the two central parts of Kirromycin and Enacyloxin Ha respectively, i.e. a cyclic structure.
  • X while being an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, may form part of ring system, optionally fused with Y.
  • the compound of formula I may have the formula II:
  • Z is a group of formula:
  • W is selected from the group consisting of CH 2 , O, NH, CH 2 -CH 2 , CH 2 -O, CH 2 -NH, CH 2 -CH 2 -CH 2 , CH 2 -CH 2 -O, and CH 2 -CH 2 -NH;
  • R 1 , R 2 , R 3 are independently selected from the group consisting of H, AIk, AIk-C(O), AIk-C(O)-O, AIk-O-C(O), NH 2 , NHAIk, N(AIk) 2 , NH 2 -C(O), NHAIk-C(O), N(AIk) 2 -C(O), OH, OAIk, F, Cl, Br, and i;
  • LM 2 are independently absent or selected from the group consisting of O and NH; is O or S; is an integer from 4 to 8;
  • R 4 , R 5 are independently selected from H, AIk, Cl, Br, and I;
  • K comprises C 1-6 alkylidene or a mono-, fused bi-, tri-, or tetracyclic structure with 12 to 20 ring members substituted 1 to 6 times, such as 2, 3, or 4 times with AIk, OH,
  • OAIk, NH 2 , or F with the proviso that at least one, such as at least two, of the substituents is/are selected from OH, OAIk, NH 2 , and F, preferably OH; wherein one or more of the rings of said ring structure may contain one or more double bonds and/or contain a group -0-, -NH-, -S-, -C(O)-O-, or -O-C(O)-;
  • V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from AIk, OH, OAIk, NH 2 , F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
  • I is an integer from 3 to 7; and X is an optionally substituted straight aliphatic chain with 2 to 8 carbon atoms, such as 4, 5, or 6, optionally with fully conjugated double bonds.
  • X while being an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, may form part of ring system, optionally fused with Y.
  • the compound of formula I may have the formula Ha:
  • Z comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with Tyrl ⁇ O, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 into account;
  • L 1 , L 2 are independently absent or selected from the group consisting of O and NH;
  • L 3 is O or S
  • R 4 , R 5 are independently selected from H, AIk, Cl, Br, and I;
  • K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 on one side and Argl23 and GIn 124 on the other side into account;
  • V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from AIk, OH, OAIk, IMH 2 , F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
  • I is an integer from 3 to 7;
  • X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, VaI 125, and Ala375.
  • the compounds of formula I, II or Ha may have the formula III:
  • W is selected from the group consisting of CH 2 , O, and NH;
  • R' are independently selected from the group consisting of H, AIk, AIk-C(O), AIk-C(O)-
  • L 1 is absent or selected from the group consisting of O and NH; n is an integer from 4 to 8;
  • V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from methyl, ethyl, OH, methoxy, and ethoxy; I is an integer from 3 to 7; and q is an integer selected from 1, 2, 3, 4, 5, 6, and 7; j is an integer from 1 to 4.
  • the compounds of formula I, II or III may have the formula IV:
  • R 1 , R 2 are independently selected from the group consisting of H, AIk, AIk-C(O), AIk-C(O)-
  • L 1 is absent or selected from the group consisting of O and NH; n is 5, 6, or 7; R 4 are independently selected from H and methyl, with the proviso that at least one R 4 is methyl; R 5 are independently selected from H and Cl, with the proviso that at least one R 5 is
  • R 7 is not H
  • V is selected from CH 2 , NH, O, C(O), (CH 2 ) q -C(O); O-C(O), O-C(O)-O(CH 2 ) q -C(O)-O,
  • R 8 is selected from methyl, ethyl, OH, methoxy, and ethoxy; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
  • I is 4, 5, or 6; and i is 2 or 3.
  • a further aspect is a library comprising a plurality of species of conjugate compounds defined supra.
  • EF-Tu-GDP After Escherichia coli [Ec) cell extraction by French press, EF-Tu-GDP was purified by centrifugation at 30,00Og (S30) and 10O 7 OOOg (SlOO), FPLC on Source-Q, filtration on Superdex 75 and HPLC on monoQ. Purified EF-Tu yielded a single band on SDS-PAGE and
  • EF-Tu T ⁇ erm us aquaticus: Ta was overproduced in E. coli and purified as described (Kristensen et ah,
  • EF-Tu-GDPNP was obtained from EF-Tu-GDP in 20 mM Tris-HCI, pH 8.0, 200 mM
  • the solution for crystallization contained 4-4.5 mg/ml EF-Tu in 20 mM Tris-HCI buffer (pH 7.6), 20 mM NaCI, a 2-fold molar excess of GDPNP, 5-10 mM MgCl 2 , 2 mM DTT, 1 % glycerol and 0.5 mM NaN 3 .
  • the antibiotic added as the last component in a 1.2 molar ratio to EF-Tu, caused a slight precipitate that was discarded by centrifugation.
  • a molar ratio enacyloxin Ha EF-Tu close to 1 is crucial, since higher ratios caused aggregation and precipitation of the protein. No hydrolysis of the crystalline EF-Tu was observed on SDS-PAGE.
  • the complex EF-Tu(7a)»GDPNP»enacyloxin IIa»Phe-tRNA phe (S. cerevisiae) was purified and crystallized essentially as described for the quaternary complex with kirromycin (Kristensen et a/.).
  • An ammonium sulfate precipitated aliquot was redissolved to 10 mg/ml in a crystallization buffer containing 1.25 M (NH 4 ) 2 SO 4 , 10 mM MgCI 2 , 20 mM Tris-HCI (pH 7.2 at 20 0 C), 1 mM GDPNP, 0.5 mM DTT, and 50 ⁇ M enacyloxin Ha.
  • Hanging drops (3-8 ⁇ l) were equilibrated at 4 0 C against reservoir solutions containing 1 ml of 1.8 M ammonium sulfate (pH 6.4 -7.0).
  • Model-derived phases were calculated at 30 - 2.3 A resolution using ⁇ A weighting and were subjected to refinement by density modification using two-fold averaging, solvent flattening and histogram matching in DM (CCP4, 1994) and using phase extension from 3.5 to 2.3 A resolution over 100 cycles.
  • the resulting DM map showed clear electron density for most parts of EF-Tu»GDPNP and enacyloxin Ha.
  • the EF-Tu»GDPNP»enacyloxin IIa»Phe-tRNA Phe structure contained three molecules in the asymmetric unit related by three-fold NCS as observed also for the Phe-tRNA phe »EF-Tu « GDP»kirromycin complex.
  • Atomic coordinates for the EF-Tu»GDPNP «enacyloxin IIa»Phe- tRNA phe structure are given in Table III.
  • Methylkirromycin (N: 19) Ile92(93), Glull7(J18), Leul20(_!22), Argl23(i24), Glnl24(125), Vall25(126), Tyrl60(161), Glul62Tyr309(32_!), Asp324(G/u326), Glu325(327), Arg318(330), His319(33I), Arg333 ⁇ 345), Arg373(385), Phe374(386), Ala375(3S7),
  • Enacyloxin Ha (no: 4) Leul20 O-Argl23 N; Arg 123 N ⁇ 2-Glu315 O; Ala 375 O-Tyr331 IM; Ala375 O-Tyr331 N
  • Model building was performed in O.
  • Four possible models for enacyloxin Ha were derived by energy-minimization and they combined R or S configurations on the positions C13 and C14.
  • the C13-R, C14-S configuration revealed the best fit to the DM map of the EF- Tu:GDPNP «enacyloxin IIa complex, and this assignment was adapted.
  • Model refinement was carried out in CNS.
  • the initial refinement of the EF- Tu»GDPNP»Enacyloxin Ha model derived from the DM map was performed at 5 - 2.3 A resolution with strict NCS and without bulk solvent correction to avoid bias from a partial model.
  • a set of 1203 randomly selected reflection were excluded throughout for calculation of the free R-value.
  • Subsequent rounds of refinements included all data and a bulk solvent correction together with NCS restraints.
  • the ⁇ A weighted 2Fo-Fc and Fo-Fc electron density maps were used in later rounds of model building.
  • the final model comprises amino acid residues 9-40 and 55-393 for chain A and residues 6-40 and 57-393 for chain B as well as complete models of GDPNP»Mg 2+ and enacyloxin Ha for both complexes.
  • a total of 198 water molecules identified at appropriate positions for interactions with the macromolecular components were included in the final model, and the final R-free of the model was 27.2% at 30 - 2.3 A resolution.
  • the Phe-tRNA Phe »EF-Tu «GDPNP»enacyloxin Ha complex was refined at 30 - 3.0 A resolution as a single protomer obeying strict three-fold NCS throughout.
  • the final model comprises a complete Phe-tRNA molecule, EF-Tu(Ta) residues 9-405, GDPNP»Mg 2+ and enacyloxin Ha.
  • the final R-free converged at 30.7%.
  • ATOM 281 C ILE A 60 21.401 63.583 66.420 1.00 78.42 A
  • ATOM 307 CA THR A 64 25.690 58.256 63.035 1.00 80.33 A
  • ATOM 402 NDl HIS A 75 25.188 67.036 77.011 1.00 33.33 A
  • ATOM 668 C MET A 112 48.214 66.230 54.803 1.00 50.54 A
  • ATOM 702 C ARG A 116 44.518 71.608 54.973 1.00 42.64 A ATOM 703 O ARG A 116 44.066 72.686 55.366 1.00 42.99 A
  • ATOM 761 O ARG A 123 38.079 80.903 58.030 1.00 38.38 A ATOM 762 N GLN A 124 38.264 79.288 56.497 1.00 33.44 A
  • ATOM 814 C ILE A 130 42.065 74.097 68.217 1.00 33.29 A
  • ATOM 822 C ILE A 131 43.143 70.976 68.906 1.00 29.65 A

Abstract

The invention relates to a method of rational drug design based upon the surprising discovery that the structurally very different antibiotics enacyloxin Ha and kirromycin bind with Elongation Factor Tu (EF-Tu) in a similar manner. This allows for new chemical entities and new antibiotics to be developed. The invention defines a method for designing new antibiotics which are structural hybrids of enacyloxin IIa and kirromycin; the new antibiotics combining critical moieties of each of the parent molecules.

Description

METHOD OF RATIONAL DRUG DESIGN BASED ON BINDING ABILITY WITH ELONGATION FACTOR TU
Field of the Invention
A method of rational drug design based upon the surprising discovery that the structurally very different antibiotics enacyloxin Ha and kirromycin bind with Elongation Factor Tu (EF- Tu) in a similar manner allows for new chemical entities and new antibiotics to be developed. The invention defines new antibiotics which are structural hybrids of enacyloxin Ha and kirromycin; the new antibiotics combining critical moieties of each of the parent molecules.
Background of the Invention
Several methods of rational drug design exist that are based on the crystal structure of a single complex between a protein and a ligand with antibacterial activity.
US 6,684,162 discloses the crystal structure of Acyl Carrier Protein Synthase (ACPS) complexed with Acyl Carrier Protein (ACP) and the solution structure of B. subtilis ACP. Further disclosed is a method for rational drug design based on the crystal shape and dimensions, wherein the active site is identified from the three-dimensional model of the structure and subsequent computer fitting is used to identify possible antibacterial agents.
WO 03/060100 discloses DnaG primase proteins complexed with manganese and sulfate ligands. Further disclosed is a method of rational drug design based on the atomic coordinates of the three-dimensional crystal structure of the complex, selecting potential antibacterial agents with computer modelling and subsequent testing of the activity.
EP 1 302 538 discloses the three-dimensional crystal structure of human sorbitol dehydrogenase (hSDH) complexed with a ligand. This structure again serves as a basis for a computer based method of identifying new ligands.
Given that only one crystal structure has been elucidated in the documents cited above, a common feature in methods of identifying new ligands for various biological targets is that the identity of the specific structural features of the ligands which account for their activity has not been comparatively assessed. Conversely the present invention compares and contrasts the structural relationship of two key ligands to EF-Tu to their complexation and activity on the protein. This comparison is possible in the present case due to the unique and surprising discovery that the structurally different ligands bind EF-Tu in such a similar manner. Yet, at once, the differences in the binding pattern allow for contrasting of the ligands. Together, comparing and contrasting allowed for conceptual hybridization of the two ligands and, based upon this conceptual hybridization, furthermore to the development of new ligands which bind to Ef-Tu. Elongation factor (EF-) Tu, a ubiquitous, highly conserved, abundant protein, is an essential component of bacterial protein synthesis and one of the best studied GTPases. GTPases cycle between an active GTP-bound and an inactive GDP-bound state, that is controlled by the GDP/GTP exchange and GTP hydrolysis, two reactions regulated in EF-Tu by EF-Ts and the ribosome, respectively. EF-Tu«GTP is the carrier of aa-tRNA to the mRNA-programmed ribosome, where codon-anticodon interaction triggers a fast γ- phosphate hydrolysis of GTP. After the release of EF~Tu»GDP due to its low affinity for aa- tRNA and ribosome, the correct positioning of aa-tRNA into the ribosomal A-site leads to peptide bond formation with the peptidyl chain bound to the P-site.
Crystallographic analysis has shown a folding of EF-Tu in three distinct domains, of which the nucleotide-binding domain 1 (residues: 1-199 in Escherichia coli (Ec) EF-Tu) reveals dramatic overall changes between the GTP- and the GDP-bound state (Kjeldgaard and Nyborg 1992, 1993; Berchtold er a/., 1993). The loose association of the domains with a central hole in EF-Tu»GDP changes into a compact arrangement in EF-Tu«GTP that can be interpreted as domain 1 rolling over domains 2 (residues: 209-299) and 3 (residues: 300- 393) that virtually behave as a unit.
EF-Tu is thus an important target for inhibitors of protein synthesis. Four structurally unrelated families of antibiotics act on EF-Tu from a broad range of microorganisms: kirromycin, enacyloxin Ha, pulvαmycin and GE2270 A. These drugs, that affect the allosteric regulation of EF-Tu and/or inhibit the interaction with iigands, helped to define EF-Tu functions, encoding genes and Iigands. Functionally, they can be divided in two groups. Pulvomycin and GE2270 A prevent the interaction of EF-Tu»GTP with aa-tRNA. Kirromycin and enacyloxin Ha hinder the release of EF-Tu»GDP from the ribosome, thus its recycling and peptide bond formation, by forcing EF-Tu»GDP into an E F-Tu* GTP- 1 ike conformation binding aa-tRNA and the ribosome. Therefore their effect in the elongation process is dominant (Fischer et a/., 1977; Zuurmond ec a/., 1999). Mutations causing resistance to kirromycin and enacy)ox)n Ha were identified in the domain-1,3 interface, suggesting a possible location of their binding site. The high-resolution crystal structure of Thermus thermophilus (Tt) EF-Tu»GDP in complex with methylkirromycin confirmed that the drug binds in the domain-1,3 interface, inducing a unique, compact EF-Tu* GTP- 1 ike conformation (Vogeley et al., 2002).
Summary of the Invention
This invention is a result, at least in part, of the surprising discovery of the similar binding of enacyloxin Ha and kirromycin to of EF-Tu. These observations indicated to the inventors that combining the active pharmacophores of each of the two molecules would have superior binding efficiency. This higher binding efficiency was hypothesised to provide higher antibacterial effect. The present inventors have surprisingly found that combining the "head" and "body" of enacyloxin Ha and the "tail" of kirromycin could lead to more efficient antibiotics. Further to the advantageous efficiency as antibiotics, the novel antibiotics may have the advantage of reduced resistance, and being more easily synthesised than enacyloxin Ha and kirromycin.
Hence, the present inventors have investigated a method of rational drug design comprising combination of the "head and body of enacyloxin Ha" and "hydrophobic tail of kirromycin", compounds resulting from the design, and a library comprising a plurality of said hybrid compounds. Furthermore, an assay for screening said library and computer based method of generating said compounds have been investigated.
A first aspect of the invention is a method of rational drug design comprising combining structural features of enacyloxin Ha and kirromycin to arrive at a compound of formula Ha,
Figure imgf000005_0001
Ha,
wherein
Z comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with Tyrl60, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 into account;
LM2 are independently absent or selected from the group consisting of O and NH; L3 is O or S;
R4, R5 are independently selected from H, AIk, Cl, Br, and I; K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and TyrlβO on one side and Argl23 and Glnl24 on the other side into account;
V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2)q-CH2, CH2-(CH=CH-CH2)q, CH2-(CH=CH-CH2-C(O)-CH2)q, CH2-
(CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2),,, C(O)-NH, and combinations thereof;
R8 is selected from AIk, OH, OAIk, NH2, F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7; I is an integer from 3 to 7; and
X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, Vall25, and
Ala375.
A second aspect of the invention is a method for rational drug design by evaluating the potential of a chemical entity to associate with: a) a molecule or molecular complex comprising a binding pocket defined by structure coordinates of EF-Tu domain 1 and 3 amino acids Arg 123, Glnl24, Vall25, Tyri60, Arg333, Arg373, Phe374, and Ala375 according to table III; or b) a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Angstroms comprising the steps of:
(i) employing computational means to perform a fitting operation between the chemical entity and the binding pocket of the molecule or molecular complex; and
(ii) analysing the results of said fitting operation to quantify the association between the chemical entity and the binding pocket.
A third aspect of the invention is a compound of the formula I:
Z-L-Fat-K-Y-X,
wherein
Z is absent or an optionally substituted aromatic or non-aromatic, cyclic or heterocyclic ring structure with 4 - 10 atoms in the ring(s) selected from C, O, N, and S; L is a linker which is absent or selected from the group consisting of -C(O)-, -
C(O)-O-, -O-C(O)-, -NH-C(O)-, -C(O)-NH-, -0-C(O)-O-, -NH-C(O)-NH-, - S(O)-, -S(O2)-, -O-S(O)-, -S(O)-O-, -S(02)-0-, -0-S(O2)-, -0-P(O)(OH)-O-, -0-P(O)(OAIk)-O-;
Fat comprises an optionally substituted straight aliphatic chain with 2 - 20 carbon atoms, optionally having 1 to 4 carbon atoms replaced by nitrogen, oxygen, or sulphur, which has fully conjugated double bonds, is mono- or polyunsaturated, or saturated; K is C1-6 alkylidene substituted with at least one hydrophilic substituent(s) selected from OH, OAIk, F, NH2, =O, and =N-H, optionally further substituted with hydrophobic substituents;
Y comprises a 5-, 6-, or 7-membered cyclic or heterocyclic ring, the heteroatoms being selected from O, N, and S, substituted with 1 to 10 substituents selected from the group consisting of AIk, OH, NH2, F, Cl, Br, and I, preferred substituents being methyl and OH; X is an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, such as 2 to 8, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, or S.
Alternatively defined, the compound of formula I is a compound of formula Ha:
Figure imgf000007_0001
Ha,
wherein comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with TyrlβO, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 into account;
L1, L2 are independently absent or selected from the group consisting of O and NH; is O or S;
R4 Rb are independently selected from H, AIk, Cl, Br, and I;
K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and TyrlβO on one side and Argl23 and Glnl24 on the other side into account;
V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2)q-CH2, CH2-(CH=CH-CH2)q, CH2-(CH=CH-CH2-C(O)-CH2)q, CH2-
(CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2)q, C(O)-NH, and combinations thereof;
R8 is selected from AIk, OH, OAIk, NH2, F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7; is an integer from 3 to 7; and X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, Vall25, and
Ala375.
A further aspect is a library comprising a plurality of species of conjugate compounds defined supra. Moreover, an important aspect of the invention relates to the use of any one of the compounds from said library of conjugate compounds as ligands for EF-Tu or for the preparation of antibiotics.
Other aspects of the invention include a method of inhibiting EF-Tu activity comprising administering a compound of formula I, II, III, IV, or V as defined supra and a method of providing antibacterial effect in or on a human or animal comprising administering a compound of formula I, II, III, IV, or V as defined supra.
Brief Description of the Figures
Figure 1 shows a superposition of the structures of Enacyloxin Ha and Kirromycin in complex with EF-Tu. The middle "body" parts are roughly in the same plane and together they appear to be forming a ring structure.
Description of the Invention
For the analysis of the enacyloxin Ha action, the elucidation of the structure of its complex with the active form of EF-Tu plays a central role. The binding sites of the two drugs, enacyloxin IIa and kirromycin, in the interface of domains 1 and 3 of EF-Tu share many similarities and their buried surface is virtually the same, ~1200 A2. Also kirromycin contacts EF-Tu via hydrogen bonds and extensive van der Waals and hydrophobic interactions, however, no salt bridge is present. Kirromycin is surrounded (< 3.8 A) by 19 amino acids (8 from domain 1 and 11 from domain 3), of which 4 from domain 1 and 4 from domain 3 are common to enacyloxin Ha, and makes five hydrogen bonds with EF-Tu, of which one is shared by two atomic groups of the same amino acid (Argl23(124) Nε and Nηl). The three hydrogen-bonding residues, Argl23(I24), Glnl24(125J and Tyrl60(161) are in common with enacyloxin Ha. Tyrl60(I6_?) hydroxy is part of a three-centered hydrogen bond with Argll6(117) and the pyridone ring OH(4) of kirromycin, as with the hexane-carboxy group of enacyloxin Ha. Kirromycin is practically wrapped around the aliphatic chain of Glnl24(125j with several contacts, whereas enacyloxin Ha steers around this residue. Moreover, the "heads" of enacyloxin IIa and kirromycin point in opposite directions at right angles to the body of the antibiotics
The amino acid residues of EF-Tu have slightly different numbering depending on which bacteria they originate from. For better comparison, if not otherwise indicated, all residues are numbered according to EF-Tu(Ec), even when referring to EF-Tu(Tt)) or -(Ta)1 the homologous residue number being in italics between parentheses. One such example is Glnl24(125), where numbering refers to the enacyloxin Ha and kirromycin complexes respectively. This nomenclature is applied throughout this application and it is implicitly indicated that e.g. Glnl24 in EF-Tu(Ec) and Glnl25 in EF-Tu(Ec) occupy substantially the same position in the enacyloxin IIa and kirromycin complexes respectively. Throughout this application, when referring to distances between amino acid residues of EF-Tu and distances between atoms in compounds of the present invention and amino acid residues of EF-Tu, the distance is defined in terms of the coordinates given for the atoms of the amino acid residues in the complexed EF-Tu in Table III. Particularly, when referring to binding distances, the distances are given for the atoms in the amino acid residues of EF-Tu that do the actual binding.
In EF-Tu»GDPNP»enacyloxin Ha the domain arrangement is unique and compact, resembling that of native EF-Tu»GDPNP and EF-Tu»GDP»kirromycin. The binding of enacyloxin Ha induces an additional 13.7° rotation of domain 1, as compared to 15.4° by kirromycin. Therefore, the smaller bulk of enacyloxin Ha causes less widening of the interface than kirromycin, such that domain 1 has a smaller "sideways" displacement along the general direction of helix A by approximately half a turn of the helix. Huge changes occur in the effector region (residues 41-64) of the enacyloxin Ha complex, that becomes highly disordered.
A major result regarding the EF-Tu complexes is the finding that the binding sites of enacyloxin Ha and kirromycin, two antibiotics with unrelated chemical structure, have similar binding locations on EF-Tu. There is strong functional evidence that both drugs inhibit protein synthesis by the same mechanism blocking EF-Tu on the ribosome though a unique conformation of EF-Tu»GDP sharing common properties with the native GTP-bound state. The structural analysis shows a striking similarity between the overall models of EF- Tu»GDPNP»enacyloxin Ha and EF-Tu»GDP«kirromycin. Besides the common location in the domain-1,3 interface, other similarities of their binding site are: i. the same buried surface, ii. the prevalence of van der Waals and hydrophobic interactions, and iii. the sharing of nearly half the contacting and more than half the hydrogen-bonding amino acid residues. Argl23(124), Glnl24(125) and Tyrl60(161)— three residues conserved in EF-Tu from many bacteria— make hydrogen-bonds with both antibiotics. These properties could help designing structural and functional analogs.
A unique feature of the enacyloxin Ha binding is the presence of a salt bridge linking the carboxyl group of the hexane ring with Lys313 Nζ, but the most important difference from kirromycin concerns its short hydrophobic tail that borders but does not enter the near hydrophobic pocket lacking ordered water molecules, whereas the longer hydrophobic tail of kirromycin fits this pocket. This divergence is a major reason for the lower binding affinity of enacyloxin Ha, that is evident by comparing the ability of the two antibiotics to restore the EF-Tu-dependent poly(Phe) synthesis after gel filtration. A 50 % releasing rate of enacyloxin Ha from EF-Tu of ~20 min was estimated, whereas that of kirromycin was negligible. The slow release of enacyloxin Ha is compatible with a full inhibition of protein synthesis and the dominance of EF-Tu sensitivity over resistance.
An important change induced by enacyloxin Ha on domain 1 is the high mobility of the effector region. It is contemplated that the most plausible explanation points to the additional displacement of domain 1 over domains 2 and 3, induced by the accommodation of the drug in the interface of domain- 1,3, an effect associated with a "sideways" shift along the general direction of helix A.
A major difference between the binding sites for enacyloxin Ha and kirromycin is illustrated by the fact that the short hydrophobic tail of enacyloxin Ha does not enter the nearby hydrophobic pocket, whereas the longer hydrophobic tail of kirromycin does. This suggests a tighter binding of the latter drug, which has been confirmed by gel filtration experiments.
Crystallographic analysis has shown a folding of EF-Tu in three distinct domains, of which the nucleotide-binding domain 1 (residues: 1-199 in Escherichia coli (Ec) EF-Tu) reveals dramatic overall changes between the GTP- and the GDP-bound state. The loose association of the domains with a central hole in EF-Tu»GDP changes into a compact arrangement in EF-Tu»GTP that can be interpreted as domain 1 rolling over domains 2 (residues: 209-299) and 3 (residues: 300-393) that virtually behave as a unit.
Based upon the discovery of the structural relationship to the binding activity of enacyloxin and kirromycin, the synthesis of hybrid compounds of formula I was rationalised. Thus, a further aspect of the invention relates to compounds of formula I.
One aspect of the invention is a method of rational drug design comprising combining structural features of enacyloxin Ha and kirromycin to arrive at a compound of formula Ha,
Figure imgf000010_0001
Ha,
wherein
Z comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with TyrlβO, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and TyrlGO into account; L1, L2 are independently absent or selected from the group consisting of O and NH; L3 is O or S;
R4, R5 are independently selected from H, AIk, Cl, Br, and I; 6 000077
K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 on one side and Argl23 and Glnl24 on the other side into account; V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2)q-CH2, CH2-(CH=CH-CH2)q, CH2-(CH=CH-CH2-C(O)-CH2)q, CH2- (CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2)q, C(O)-NH, and combinations thereof;
R8 is selected from AIk, OH, OAIk, NH2, F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
I is an integer from 3 to 7; and
X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, Vall25, and
Ala375.
In a further embodiment of this method, it is a computer based method of generating compounds for rational drug design having a prescribed set of structural features, the method comprising the steps of:
(a) generating a list of potential compounds with formula Ha;
(b) identifying from said list of potential compounds a plurality of candidate compounds suitable for synthesis;
(c) generating synthesis instructions that control the synthesis of at least a subset of said candidate compounds;
(d) executing said synthesis instructions to thereby generate said at least a subset of said candidate compounds; and (e) optionally testing the generated candidate compounds for activity towards
EF-Tu.
Alternatively defined, the invention relates to a method for rational drug design by evaluating the potential of a chemical entity to associate with: a) a molecule or molecular complex comprising a binding pocket defined by structure coordinates of EF-Tu domain 1 and 3 amino acids Arg 123, Glnl24, Vall25, TyrlβO, Arg333, Arg373, Phe374, and Ala375; or b) a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Angstroms comprising the steps of:
(i) employing computational means to perform a fitting operation between the chemical entity and the binding pocket of the molecule or molecular complex; and (ii) analysing the results of said fitting operation to quantify the association between the chemical entity and the binding pocket.
In a further embodiment of this method, said chemical entity can associate with said binding pocket such that the binding distances with amino acids Argl23, Glnl24, and Tyrl60 are less than 3.75 Angstroms, such as 2.0 to 3.5 Angstroms, and binding distances with amino acids Vali25, Arg333, Arg373, Phe374, and Ala375 are 2 to 3.8 Angstroms, preferably 3.5 to 3.8 Angstroms.
Moreover, an important aspect of the invention relates to the use of any one of the compounds from said library of conjugate compounds as ligands for EF-Tu or for the preparation of antibiotics.
Other aspects of the invention include a method of inhibiting EF-Tu activity comprising administering a compound of formula I, II, III, IV, or V as defined supra and a method of providing antibacterial effect in or on a human or animal comprising administering a compound of formula I, II, III, IV, or V as defined supra.
A still further aspect is a high throughput assay comprising testing said library for activity towards EF-Tu. One particularly interesting embodiment is the computer-based method for rational drug design defined supra comprising said assay.
The term "AIk" is throughout this application intended to mean C1-4 alkyl, such as methyl, ethyl, n-propyl, iso-propyl, n-butyl, iso-butyl, sec-butyl, or tert-butyl.
In the context of the present invention, the term "optionally substituted" is used to incorporate the optional presence of one or more substituents, such as 1 to 5 substituents, preferably 1 to 3 substituents, most preferably 1 to 2 substituents, which may be selected from hydroxy, Ci_e-alkyl, C1-5-alkoxy, C2-6-alkenyloxy, oxo, carboxy, C1-6-alkoxycarbonyl, C],-6-alkylcarbonyl, formyl, aryl, aryloxy, arylamino, aryloxycarbonyl, arylcarbonyl, heteroaryl, heteroarylamino, amino, mono- and di(C1.6-alkyl)amino; carbamoyl, mono- and di(C1-6-alkyl)aminocarbonyl, amino-Cj-6-alkyl-aminocarbonyl, mono- and di(C!-6-alkyl)- amino-Cj-6-alkyl-aminocarbonyl, Ci.e-alkylcarbonylamino, cyano, guanidino, carbamido, C1- 6-alkanoyioxy, Ci-β-alkyl-sulphonyl-amino, aryl-sulphonyl-amino, heteroaryl-sulphonyl- amino, Ci-β-alkyl-suphonyl, C1-6-alkyl-sulphinyl, C1-6-alkylsulphonyloxy, nitro, sulphanyl, amino, amino-sulfonyl, mono- and di(C1.6-alkyl)amino-sulfonyl, dihalogen-C1-4-alkyl, trihalogen-C1-4-alkyl, and halogen, where aryl and heteroaryl representing substituents may be substituted 1-3 times with Q^-alkyl, Q^-alkoxy, nitro, cyano, amino or halogen, and any alkyl, alkoxy, and the like representing substituents may be substituted with hydroxy, d^-alkoxy, C2-s-alkenyloxy, amino, mono- and di(C1.5-alkyl)amino, carboxy, C1-6- alkylcarbonylamino, halogen, Ci-6-alkylthio, C^-alkyl-sulphonyl-amino, or guanidine.
The term "halogen" includes fluorine, chlorine, bromine and iodine.
Those of skill in the art will realise that association of natural ligands or substrates with the binding pockets of their corresponding receptors or enzymes is the basis of many biological mechanisms of action. The term "binding pocket", as used herein, refers to a region of a molecule or molecular complex, that, as a result of its shape, favourably associates with another chemical entity or compound. Similarly, many drugs exert their biological effects through association with the binding pockets of receptors and enzymes. Such associations may occur with all or any parts of the binding pockets.
The term "associating with" refers to a condition of proximity between chemical entities or compounds, or portions thereof. The association may be non-covalent — wherein the juxtaposition is energetically favored by hydrogen bonding or van der Waals or electrostatic interactions — or it may be covalent.
Another aspect of the invention is a compound of the formula I:
Z-L-Fat-K-Y-X,
wherein Z is absent or an optionally substituted aromatic or non-aromatic, cyclic or heterocyclic ring structure with 4 - 10 atoms in the ring(s) selected from C,
O, N, and S; L is a linker which is absent or selected from the group consisting of -C(O)-, -
C(O)-O-, -0~C{0)-, -NH-C(O)-, -C(O)-NH-, -0-C(O)-O-, -NH-C(O)-NH-, - C(S)-, -C(S)-O-, -O-C(S)-, -NH-C(S)-, -C(S)-NH-, -0-C(S)-O-, -NH-C(S)-
NH-, -S(O)-, -S(O2)-, -O-S(O)-, -S(O)-O-, -S(O2)-O-, -0-S(O2)-, -O-
P(O)(OH)-O-, -0-P(O)(OAIk)-O-; Fat comprises an optionally substituted straight aliphatic chain with 2 - 20 carbon atoms, optionally having 1 to 4 carbon atoms replaced by nitrogen, oxygen, or sulphur, which has fully conjugated double bonds, is mono- or polyunsaturated, or saturated; K comprises C1-6 alkylidene or a mono-, fused bi-, tri-, or tetracyclic structure with 12 to 24 ring members, such as 12 to 20 ring members, substituted with at least one hydrophilic substituent(s) selected from OH, OAIk, F, NH2, =O, and =N-H, optionally further substituted with hydrophobic substituents such as AIk; wherein one or more of the rings of said ring structure may contain one or more double bonds and/or contain a group -0-, -NH-, -S-, -C(O)-O-, or -O-
C(O)-; Y comprises a 5-, 6-, or 7-membered cyclic or heterocyclic ring, the heteroatoms being selected from O, N, and S, substituted with 1 to 10 substituents selected from the group consisting of AIk, OH, NH2, F, Cl, Br, and I, preferred substituents being methyl and OH;
X is an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, such as 2 to 8, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, or S.
Considering the superposition of Kirromycin and Enacyloxin Ha in Fig. 1, the inventors of the present invention contemplated that the compounds of the present invention need not merely be a simple hybrid of Kirromycin and Enacyloxin Ha wherein a part of one molecule is pieced together with the opposite part of the other molecule. It is contemplated that it may also be a superposition of the two central parts of Kirromycin and Enacyloxin Ha respectively, i.e. a cyclic structure.
Furthermore, in a suitable embodiment of the invention, X, while being an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, may form part of ring system, optionally fused with Y.
Thus, in an alternative embodiment of formula I, it has the formula Ia:
Z-L-Fat-K-Y-X,
Ia wherein
K and Y combined comprise a mono-, fused bi-, tri-, tetra-, or pentacyclic structure with 12 to 30 ring members, such as 12 to 24 ring members, substituted with at least one hydrophilic substituent(s) selected from OH, OAIk, F, NH2, =O, and =N-H, optionally further substituted with hydrophobic substituents such as AIk; wherein one or more of the rings may contain one or more double bonds and/or contain a group -O-, -NH-, -S-, -C(O)-O-, or -O-C(O)-; and Z, L, Fat, and X are as defined for formula I
In a preferred embodiment, the compound of formula I may have the formula II:
Figure imgf000014_0001
π, wherein
Z is a group of formula:
Figure imgf000015_0001
wherein W is selected from the group consisting of CH2, O, NH, CH2-CH2, CH2-O, CH2-NH, CH2-CH2-CH2, CH2-CH2-O, and CH2-CH2-NH; R1, R2, R3 are independently selected from the group consisting of H, AIk, AIk-C(O), AIk-C(O)-O, AIk-O-C(O), NH2, NHAIk, N(AIk)2, NH2-C(O), NHAIk-C(O), N(AIk)2-C(O), OH, OAIk, F, Cl, Br, and i;
LM2 are independently absent or selected from the group consisting of O and NH; is O or S; is an integer from 4 to 8;
R4, R5 are independently selected from H, AIk, Cl, Br, and I; K comprises C1-6 alkylidene or a mono-, fused bi-, tri-, or tetracyclic structure with 12 to 20 ring members substituted 1 to 6 times, such as 2, 3, or 4 times with AIk, OH,
OAIk, NH2, or F, with the proviso that at least one, such as at least two, of the substituents is/are selected from OH, OAIk, NH2, and F, preferably OH; wherein one or more of the rings of said ring structure may contain one or more double bonds and/or contain a group -0-, -NH-, -S-, -C(O)-O-, or -O-C(O)-;
V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2)q-CH2, CH2-(CH=CH-CH2)q, CH2-(CH=CH-CH2-C(O)-CH2)q, CH2-
(CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2)q, C(O)-NH, and combinations thereof; R8 is selected from AIk, OH, OAIk, NH2, F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
I is an integer from 3 to 7; and X is an optionally substituted straight aliphatic chain with 2 to 8 carbon atoms, such as 4, 5, or 6, optionally with fully conjugated double bonds.
As stated, in suitable embodiment of the invention, X, while being an optionally substituted straight aliphatic chain with 2 to 10 carbon atoms, optionally having fully conjugated double bonds and one or more carbon atoms replaced by O, N, may form part of ring system, optionally fused with Y.
Alternatively defined, the compound of formula I may have the formula Ha:
Figure imgf000016_0001
Ha,
wherein
Z comprises a moiety capable of making a dipole-dipole interaction with Lys313, another moiety capable of forming a hydrogen bond with TyrlβO, and Z should provide the required distance between these two moieties when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 into account; L1, L2 are independently absent or selected from the group consisting of O and NH;
L3 is O or S;
R4, R5 are independently selected from H, AIk, Cl, Br, and I;
K comprises hydrogen bonding moiety(ies) capable of binding to Argl23 and Glnl24; n is sufficiently large to provide the necessary distance between the binding moieties in Z and K when taking hydrogen bond lengths and the distance between Lys313 and Tyrl60 on one side and Argl23 and GIn 124 on the other side into account;
V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2)q~CH2, CH2-(CH=CH-CH2)q, CH2-(CH=CH~CH2-C(O)-CH2)q, CH2- (CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2)q, C(O)-NH, and combinations thereof; R8 is selected from AIk, OH, OAIk, IMH2, F, Cl, Br, and I; m is 1 or 2; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
I is an integer from 3 to 7; and
X is hydrophobic and fits into the hydrophobic pocket delimited by Ile92, VaI 125, and Ala375.
In a more preferred embodiment, the compounds of formula I, II or Ha may have the formula III:
Figure imgf000017_0001
III,
wherein
W is selected from the group consisting of CH2, O, and NH;
R1, R2,
R' are independently selected from the group consisting of H, AIk, AIk-C(O), AIk-C(O)-
O, AIk-O-C(O), NH2, OH, F, and Cl;
L1 is absent or selected from the group consisting of O and NH; n is an integer from 4 to 8;
R4, are independently selected from H, AIk, Cl, Br, and I; k is an integer from 2 to 5, such as 3 or 4; R6 are independently selected from H and AIk; R7 are independently selected from H, OH, OAIk, NH2, and F, with the proviso that at least one R7 is not H;
V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2X1-CH2, CH2-(CH=CH-CH2),, CH2-(CH=CH-CH2-C(O)-CH2)q, CH2-
(CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2)q, C(O)-NH, and combinations thereof;
R8 is selected from methyl, ethyl, OH, methoxy, and ethoxy; I is an integer from 3 to 7; and q is an integer selected from 1, 2, 3, 4, 5, 6, and 7; j is an integer from 1 to 4.
In an even more preferred embodiment, the compounds of formula I, II or III may have the formula IV:
Figure imgf000018_0001
IV,
wherein
R1, R2 are independently selected from the group consisting of H, AIk, AIk-C(O), AIk-C(O)-
O, AIk-O-C(O), NH2, OH, and F;
L1 is absent or selected from the group consisting of O and NH; n is 5, 6, or 7; R4 are independently selected from H and methyl, with the proviso that at least one R4 is methyl; R5 are independently selected from H and Cl, with the proviso that at least one R5 is
Cl;
R6 are independently selected from H, methyl and ethyl; R7 are independently selected from H, OH, and OAIk, with the proviso that at least one
R7 is not H;
V is selected from CH2, NH, O, C(O), (CH2)q-C(O); O-C(O), O-C(O)-O(CH2)q-C(O)-O,
CH2-CH2, CH2-(CH2)q-CH2, CH2-(CH=CH-CH2)q, CH2-(CH=CH-CH2-C(O)-CH2)q, CH2- (CH=CH-C(O)-CH2) q, CH2-(CH2-O-CH2)q, C(O)-NH, and combinations thereof; R8 is selected from methyl, ethyl, OH, methoxy, and ethoxy; q is an integer selected from 1, 2, 3, 4, 5, 6, and 7;
I is 4, 5, or 6; and i is 2 or 3.
A highly suitable embodiment of the compound of the invention has the formula V:
Figure imgf000019_0001
V
5 A further aspect is a library comprising a plurality of species of conjugate compounds defined supra.
Examples
10 Materials and Methods
Biological Materials and Reagents
After Escherichia coli [Ec) cell extraction by French press, EF-Tu-GDP was purified by centrifugation at 30,00Og (S30) and 10O7OOOg (SlOO), FPLC on Source-Q, filtration on Superdex 75 and HPLC on monoQ. Purified EF-Tu yielded a single band on SDS-PAGE and
15 was kept at -81 0C in 25 mM Tris-HCI, pH 7.6 at 20 0C, 20 mM NaCI, 5 mM MgCl2, 10 % glycerol, 2 mM dithiothreitol (DTT), 0.5 mM NaN3 and 20 μM GDP. Enacyloxin IIa was prepared from the microorganism Frateuria sp. W-315. Highly insoluble in water, it was used as a yellowish solution in ethanol (ε365 nm M"1 cm"1 = 91000). EF-Tu (Tήerm us aquaticus: Ta) was overproduced in E. coli and purified as described (Kristensen et ah,
20 1996)
Crystallization of the Complexes Between EF-Tu-GDPNP or EF-Tu-GDPNP- Phe-tRNAPhe and
Enacyloxin Ha
EF-Tu-GDPNP was obtained from EF-Tu-GDP in 20 mM Tris-HCI, pH 8.0, 200 mM
25 (NH4)2SO4 (to enhance the dissociation of the bound GDP), a 2.5-fold molar excess of GDPNP, 2 mM DTT, 0.5 mM NaN3 and 2 U/mg EF-Tu calf intestinal alkaline phosphatase (molecular biological degree, Roche, Mannheim). Incubation was for 60 min at 30 0C in the absence of MgCI2 and for a further 30 min in its presence (0.5 mM). After concentration to 12-15 mg/ml on Centricon 30 YM, EF-Tu-GDPNP was stored at -80 0C in
30 20 mM Tris-HCI, pH 7.6, 20 mM NaCI, 5 mM MgCI2, 0.5 mM NaN3 and 2 mM DTT. Alternatively, EF-Tu-GDPNP was passed on Superdex 75 in order to remove the phosphatase. The 20 mM stock solution of enacyloxin Ha was stored in absolute ethanol at -81 0C. The solution for crystallization contained 4-4.5 mg/ml EF-Tu in 20 mM Tris-HCI buffer (pH 7.6), 20 mM NaCI, a 2-fold molar excess of GDPNP, 5-10 mM MgCl2, 2 mM DTT, 1 % glycerol and 0.5 mM NaN3. The antibiotic, added as the last component in a 1.2 molar ratio to EF-Tu, caused a slight precipitate that was discarded by centrifugation. Aliquots (2-5 μl) of the clear supernatant were pipetted into the wells of a sitting drop plate and mixed with a 0.4-0.5 volume equivalent from the reservoir (0.5 ml of 100 mM Tris-HCI, pH 7.4-7.6, 300-600 mM NaCI, 5-8 % glycerol and 20-23 % polyethylene glycol (PEG) 6000). The plate, sealed with clear tape (Hampton Research), was kept in a room at constant temperature (19°C). The EF-Tu concentration after equilibration was 7-10 mg/ml.
Tetragonal crystals (space group P43,21,2; cell unit: a=b=72.1 A, c=335.7 A, α=β=γ=90°) shaped as long rods or oblong rectangular plates, often arranged in clusters, displayed a faintly yellowish color. They appear within 24 hrs and growth is completed within a few days to a maximum size of 1.5 x 0.5 x 0.3 mm. No advantage was obtained by removing the phosphatase prior to the crystallization; therefore, this enzyme was present in most crystal preparations. A molar ratio enacyloxin Ha: EF-Tu close to 1 is crucial, since higher ratios caused aggregation and precipitation of the protein. No hydrolysis of the crystalline EF-Tu was observed on SDS-PAGE.
The complex EF-Tu(7a)»GDPNP»enacyloxin IIa»Phe-tRNAphe (S. cerevisiae) was purified and crystallized essentially as described for the quaternary complex with kirromycin (Kristensen et a/.). An ammonium sulfate precipitated aliquot was redissolved to 10 mg/ml in a crystallization buffer containing 1.25 M (NH4)2SO4, 10 mM MgCI2, 20 mM Tris-HCI (pH 7.2 at 20 0C), 1 mM GDPNP, 0.5 mM DTT, and 50 μM enacyloxin Ha. Hanging drops (3-8 μl) were equilibrated at 4 0C against reservoir solutions containing 1 ml of 1.8 M ammonium sulfate (pH 6.4 -7.0).
Data Collection EF-Tu»GDPNP»enacyloxin Ha crystals were mounted directly from mother liquor and flash- frozen in a 100 K cryostream (Oxford Cryosystems). X-ray crystallographic data extending to 2.3 A resolution were collected from a single crystal at beam line 1711 (MAXLAB). Phe- tRNAPhe«EF-Tu»GDPNP»enacyloxin Ha were gradually soaked in a cryoprotecting buffer consisting of 2.6 M ammonium sulphate, 22 % trehalose, 30 mM Tris-MES, pH 6.5, 10 mM MgCI2, 0.5 mM DTT, 50 μM enacyloxin Ha, followed by flash freezing and data collection at IOOK at beam line X13 (EMBL/DESY). Diffraction data were integrated and scaled with the HKL Package, and structure factor amplitudes were calculated using Truncate of the CCP4 package (CCP4, 1994). Table II shows the data statistics. The C2 crystal form (Table II) suffered from strong anisotropy in the diffraction pattern, compromising data quality and subsequent refinement procedures.
Structure Determination
Structures were determined by molecular replacement at 6-3.5 A resolution using AMoRe
(Navaza, 2001). Search models derived from the structure of E. coli or T. aquaticus EF- Tu»GDPNP in complex with kirromycin and Phe-tRNAphe (Nielsen et al. 2004, PDB entries 1HA3 and 1OB2) produced clear solutions to both crystal forms. Two solutions related by a two-fold non-crystallographic symmetry (NCS) axis were obtained on the EF- Tu»GDPNP»enacyloxin Ha complex. Rigid body refinement and grouped B-factor refinement of individual domains using CNS converged at an R-value of 36% at 6 - 3.3 A resolution without bulk solvent correction. Model-derived phases were calculated at 30 - 2.3 A resolution using σA weighting and were subjected to refinement by density modification using two-fold averaging, solvent flattening and histogram matching in DM (CCP4, 1994) and using phase extension from 3.5 to 2.3 A resolution over 100 cycles. The resulting DM map showed clear electron density for most parts of EF-Tu»GDPNP and enacyloxin Ha.
The EF-Tu»GDPNP»enacyloxin IIa»Phe-tRNAPhe structure contained three molecules in the asymmetric unit related by three-fold NCS as observed also for the Phe-tRNAphe»EF-Tu« GDP»kirromycin complex. Atomic coordinates for the EF-Tu»GDPNP«enacyloxin IIa»Phe- tRNAphe structure are given in Table III.
Table I Connections between enacyloxin Ha and its EF-Tu binding site. Comparison with kirromycin
A. Contacts at <3.8 A (in bold: common amino acid residues)
1. Enacyloxin Ha (n: 16):
Ala96, Leul20, Argl23, Glnl24, Vall25, Glnl59, TyrlθO, Leu311, Lys313, Asp314, Glu315, Tγr331, Arg333, Arg373, Phe374, Ala375
2. Methylkirromycin (N: 19) Ile92(93), Glull7(J18), Leul20(_!22), Argl23(i24), Glnl24(125), Vall25(126), Tyrl60(161), Glul62Tyr309(32_!), Asp324(G/u326), Glu325(327), Arg318(330), His319(33I), Arg333 {345), Arg373(385), Phe374(386), Ala375(3S7),
Tyr382(394), Ala385(397)
B. Hydrogen bonds (< 3.5 A): (in bold: common amino acid residues^)
1. Enacyloxin Ha (no: 5)
Ala 96 O-ENX NH243; Argl23 O-ENX OH33; Glnl24 O-ENX OH33; Tyrl60 OH-ENX 041; Arg373 Nη2 -ENX 045
2. Methylkirromycin (no: 5)
Argl23(J24) Nε-Mau408 OH16; Argl23(J24) Nη2-Mau408 OH16; Glnl24(125) O-Mau408 NH26; Tyrl60(i6I) O-Mau408 OH15; Tyrl60(i6I) OH-Mau408 OH4 C. Hydrogen bonds (< 3.5 A) interconnecting residues at <3.8 A from the antibiotic
1. Enacyloxin Ha (no: 4) Leul20 O-Argl23 N; Arg 123 Nε2-Glu315 O; Ala 375 O-Tyr331 IM; Ala375 O-Tyr331 N
2. Methylkirromycin (no: 7)
Leul20(I2I) O-Argl23Cl24) N; Leu 120(121) O-Glnl24(125) N; Glnl24 (125) Oεl- Thr382(394) Oγl; Glul61(162) O-Argl23(124) Nε; Tyr309(321) OH-Glu315 (327) Oεl; Tyr309(321) O-Ala397 N; Tyr309(321) N-AIa 385(397) O
Table II
Data collection and refinement statistics of EF-Tu: Enacyloxin Ha complexes
Figure imgf000022_0001
Rsym = ΣhΣ ,|I,(h) - <J(h)> | /∑h∑, I,(h), I1(U) is the /th measurement. ^Strong anisotropy in the C2 form caused a low completeness in the higher resolution bins. tR= ∑hl !^Ch)Ob5J - l/∑hlf(h)obsl, Rfree is the R-factor calculated for a subset of ~1200 reflections excluded from the refinement throughout. ΦPercentages of aminoacid residues occupying the most favoured and disallowed regions, respectively of the Ramachandran plot according to PROCHECK (Laskowski et al, 1993).
Model building and Refinement.
Model building was performed in O. Four possible models for enacyloxin Ha were derived by energy-minimization and they combined R or S configurations on the positions C13 and C14. The C13-R, C14-S configuration revealed the best fit to the DM map of the EF- Tu:GDPNP«enacyloxin IIa complex, and this assignment was adapted.
Model refinement was carried out in CNS. The initial refinement of the EF- Tu»GDPNP»Enacyloxin Ha model derived from the DM map was performed at 5 - 2.3 A resolution with strict NCS and without bulk solvent correction to avoid bias from a partial model. A set of 1203 randomly selected reflection were excluded throughout for calculation of the free R-value. Subsequent rounds of refinements included all data and a bulk solvent correction together with NCS restraints. The σA weighted 2Fo-Fc and Fo-Fc electron density maps were used in later rounds of model building. The final model comprises amino acid residues 9-40 and 55-393 for chain A and residues 6-40 and 57-393 for chain B as well as complete models of GDPNP»Mg2+ and enacyloxin Ha for both complexes. A total of 198 water molecules identified at appropriate positions for interactions with the macromolecular components were included in the final model, and the final R-free of the model was 27.2% at 30 - 2.3 A resolution.
The Phe-tRNAPhe»EF-Tu«GDPNP»enacyloxin Ha complex was refined at 30 - 3.0 A resolution as a single protomer obeying strict three-fold NCS throughout. The final model comprises a complete Phe-tRNA molecule, EF-Tu(Ta) residues 9-405, GDPNP»Mg2+ and enacyloxin Ha. The final R-free converged at 30.7%.
Table III
Atomic coordinates for EF-Tu, Enacyloxin Ha, and solvent molecules.
ATOM 1 CB LYS A 9 24.767 71.283 81.299 1.00 60.71 A
ATOM 2 CG LYS A 9 24.989 70.518 82.600 1.00 62.90 A
ATOM 3 CD LYS A 9 26.466 70.417 82.952 1.00 60.15 A
ATOM 4 CE LYS A 9 27.160 69.321 82.156 1.00 54.78 A
ATOM 5 NZ LYS A 9 26.731 67.962 82.576 1.00 60.57 A
ATOM 6 C LYS A 9 24.748 73.476 80.111 1.00 58.13 A
ATOM 7 O LYS A 9 24.015 73.191 79.158 1.00 57.83 A
ATOM 8 N LYS A 9 23.226 73.092 82.044 1.00 56.47 A
ATOM 9 CA LYS A 9 24.573 72.797 81.467 1.00 58.89 A
ATOM 10 N PRO A 10 25.725 74.390 80.006 1.00 55.47 A
ATOM 11 CD PRO A 10 26.628 74.941 81.035 1.00 56.17 A
ATOM 12 CA PRO A 10 25.926 75.058 78.719 1.00 48.39 A
ATOM 13 CB PRO A 10 27.132 75.960 78.983 1.00 51.48 A
ATOM 14 CG PRO A 10 27.002 76.281 80.444 1.00 54.94 A
ATOM 15 C PRO A 10 26.206 74.048 77.608 1.00 43.94 A
ATOM 16 O PRO A 10 26.961 73.090 77.804 1.00 44.55 A
ATOM 17 N HIS A 11 25.592 74.270 76.450 1.00 38.12 A
ATOM 18 CA HIS A 11 25.781 73.411 75.278 1.00 42.27 A
ATOM 19 CB HIS A 11 24.518 73.373 74.425 1.00 38.81 A
ATOM 20 CG HIS A 11 23.703 72.131 74.590 1.00 42.72 A
ATOM 21 CD2 HIS A 11 23.055 71.622 75.665 1.00 41.42 A
ATOM 22 NDl HIS A 11 23.403 71.301 73.531 1.00 48.31 A
ATOM 23 CEl HIS A 11 22.598 70.337 73.944 1.00 48.01 A
ATOM 24 NE2 HIS A 11 22.372 70.509 75.235 1.00 50.82 A
ATOM 25 C HIS A 11 26.906 73.957 74.406 1.00 38.20 A
ATOM 26 O HIS A 11 26.946 75.151 74.124 1.00 32.17 A
ATOM 27 N VAL A 12 27.810 73.086 73.973 1.00 32.39 A
ATOM 28 CA VAL A 12 28.907 73.507 73.116 1.00 28.42 A
ATOM 29 CB VAL A 12 30.234 73.627 73.893 1.00 30.86 A
ATOM 30 CGl VAL A 12 31.349 74.068 72.943 1.00 29.85 A
ATOM 31 CG2 VAL A 12 30.088 74.628 75.034 1.00 21.49 A
ATOM 32 C VAL A 12 29.076 72.489 71.992 1.00 35.36 A
ATOM 33 O VAL A 12 29.140 71.278 72.237 1.00 37.81 A
ATOM 34 N ASN A 13 29.138 72.986 70.760 1.00 30.56 A
ATOM 35 CA ASN A 13 29.278 72.134 69.577 1.00 30.85 A
ATOM 36 CB ASN A 13 28.432 72.678 68.417 1.00 28.90 A
ATOM 37 CG ASN A 13 26.964 72.315 68.539 1.00 37.36 A
ATOM 38 ODl ASN A 13 26.398 71.652 67.660 1.00 45.85 A
ATOM 39 ND2 ASN A 13 26.342 72.736 69.625 1.00 23.25 A
ATOM 40 C ASN A 13 30.711 72.023 69.107 1.00 33.07 A
ATOM 41 O ASN A 13 31.354 73.036 68.791 1.00 31.69 A
ATOM 42 N VAL A 14 31.215 70.794 69.056 1.00 32.37 A
ATOM 43 CA VAL A 14 32.577 70.561 68.595 1.00 30.97 A
ATOM 44 CB VAL A 14 33.516 70.224 69.764 1.00 34.43 A
ATOM 45 CGl VAL A 14 33.597 71.410 70.695 1.00 29.47 A
ATOM 46 CG2 VAL A 14 33.023 68.979 70.507 1.00 33.10 A
ATOM 47 C VAL A 14 32.600 69.431 67.581 1.00 34.29 A
ATOM 48 O VAL A 14 31.554 69.004 67.096 1.00 39.20 A
ATOM 49 N GLY A 15 33.793 68.953 67.246 1.00 34.59 A
ATOM 50 CA GLY A 15 33.896 67.866 66.291 1.00 31.65 A
ATOM 51 C GLY A 15 35.329 67.493 65.987 1.00 32.74 A
ATOM 52 O GLY A 15 36.270 68.147 66.454 1.00 37.30 A
ATOM 53 N THR A 16 35.498 66.441 65.196 1.00 27.43 A ATOM 54 CA THR A 16 36.831 65.967 64.817 1.00 29.91 A
ATOM 55 CB THR A 16 36.986 64.452 65.123 1.00 27.37 A
ATOM 56 OGl THR A 16 35.688 63.839 65.117 1.00 37.03 A
ATOM 57 CG2 THR A 16 37.641 64.228 66.492 1.00 23.58 A
ATOM 58 C THR A 16 37.112 66.193 63.327 1.00 30.44 A
ATOM 59 O THR A 16 36.234 66.022 62.490 1.00 34.92 A
ATOM 60 N ILE A 17 38.339 66.588 63.011 1.00 26.05 A
ATOM 61 CA ILE A 17 38.756 66.812 61.637 1.00 28.51 A
ATOM 62 CB ILE A 17 38.681 68.303 61.233 1.00 32.55 A
ATOM 63 CG2 ILE A 17 37.229 68.784 61.271 1.00 25.92 A
ATOM 64 CGl ILE A 17 39.576 69.141 62.150 1.00 33.97 A
ATOM 65 CDl ILE A 17 39.555 70.629 61.821 1.00 34.75 A
ATOM 66 C ILE A 17 40.204 66.347 61.546 1.00 32.52 A
ATOM 67 O ILE A 17 40.867 66.138 62.566 1.00 28.68 A
ATOM 68 N GLY A 18 40.693 66.182 60.323 1.00 27.70 A
ATOM 69 CA GLY A 18 42.054 65.728 60.138 1.00 29.58 A
ATOM 70 C GLY A 18 42.132 64.725 59.000 1.00 33.12 A
ATOM 71 O GLY A 18 41.113 64.261 58.494 1.00 32.27 A
ATOM 72 N HIS A 19 43.355 64.381 58.618 1.00 33.16 A
ATOM 73 CA HIS A 19 43.609 63.460 57.520 1.00 36.99 A
ATOM 74 CB HIS A 19 45.115 63.362 57.272 1.00 40.83 A
ATOM 75 CG HIS A 19 45.472 62.806 55.928 1.00 50.33 A
ATOM 76 CD2 HIS A 19 45.611 63.410 54.723 1.00 51.17 A
ATOM 77 NDl HIS A 19 45.719 61.466 55.716 1.00 46.78 A
ATOM 78 CEl HIS A 19 45.998 61.270 54.439 1.00 42.68 A
ATOM 79 NE2 HIS A 19 45.939 62.432 53.814 1.00 44.67 A
ATOM 80 C HIS A 19 43.018 62.066 57.679 1.00 35.05 A
ATOM 81 O HIS A 19 42.796 61.580 58.789 1.00 38.36 A
ATOM 82 N VAL A 20 42.764 61.434 56.540 1.00 38.61 A
ATOM 83 CA VAL A 20 42.192 60.096 56.477 1.00 39.25 A
ATOM 84 CB VAL A 20 42.222 59.562 55.021 1.00 45.88 A
ATOM 85 CGl VAL A 20 41.535 58.209 54.937 1.00 39.99 A
ATOM 86 CG2 VAL A 20 41.547 60.570 54.089 1.00 49.91 A
ATOM 87 C VAL A 20 42.932 59.112 57.377 1.00 37.14 A
ATOM 88 O VAL A 20 44.153 58.989 57.306 1.00 37.64 A
ATOM 89 N ASP A 21 42.167 58.428 58.225 1.00 41.21 A
ATOM 90 CA ASP A 21 42.675 57.427 59.162 1.00 42.34 A
ATOM 91 CB ASP A 21 43.303 56.251 58.403 1.00 44.55 A
ATOM 92 CG ASP A 21 42.271 55.404 57.682 1.00 52.20 A
ATOM 93 ODl ASP A 21 41.090 55.388 58.113 1.00 50.92 A
ATOM 94 OD2 ASP A 21 42.646 54.743 56.689 1.00 60.87 A
ATOM 95 C ASP A 21 43.647 57.880 60.247 1.00 42.26 A
ATOM 96 O ASP A 21 44.340 57.042 60.840 1.00 37.15 A
ATOM 97 N HIS A 22 43.710 59.184 60.519 1.00 41.55 A
ATOM 98 CA HIS A 22 44.603 59.669 61.573 1.00 33.37 A
ATOM 99 CB HIS A 22 44.886 61.165 61.394 1.00 31.76 A
ATOM 100 CG HIS A 22 46.123 61.446 60.590 1.00 36.04 A
ATOM 101 CD2 HIS A 22 46.997 62.481 60.624 1.00 34.32 A
ATOM 102 NDl HIS A 22 46.582 60.591 59.607 1.00 38.10 A
ATOM 103 CEl HIS A 22 47.685 61.089 59.074 1.00 36.26 A
ATOM 104 NE2 HIS A 22 47.958 62.236 59.672 1.00 36.40 A
ATOM 105 C HIS A 22 44.023 59.344 62.965 1.00 31.87 A
ATOM 106 O HIS A 22 44.741 59.374 63.976 1.00 31.58 A
ATOM 107 N GLY A 23 42.735 59.004 63.008 1.00 23.63 A
ATOM 108 CA GLY A 23 42.114 58.611 64.260 1.00 32.17 A
ATOM 109 C GLY A 23 40.888 59.371 64.742 1.00 37.62 A
ATOM 110 O GLY A 23 40.541 59.296 65.927 1.00 41.25 A
ATOM 111 N LYS A 24 40.215 60.074 63.839 1.00 31.17 A
ATOM 112 CA LYS A 24 39.043 60.866 64.194 1.00 32.93 A ATOM 113 CB LYS A 24 38.476 61.566 62.951 1.00 31.61 A
ATOM 114 CG LYS A 24 39.391 62.612 62.336 1.00 35.38 A
ATOM 115 CD LYS A 24 38.759 63.256 61.094 1.00 37.80 A
ATOM 116 CE LYS A 24 38.616 62.241 59.942 1.00 38.71 A
ATOM 117 NZ LYS A 24 39.944 61.686 59.521 1.00 31.65 A
ATOM 118 C LYS A 24 37.928 60.090 64.867 1.00 31.66 A
ATOM 119 O LYS A 24 37.452 60.472 65.933 1.00 28.14 A
ATOM 120 N THR A 25 37.503 59.007 64.227 1.00 38.55 A
ATOM 121 CA THR A 25 36.414 58.187 64.748 1.00 37.10 A
ATOM 122 CB THR A 25 35.974 57.152 63.685 1.00 44.48 A
ATOM 123 OGl THR A 25 35.577 57.841 62.486 1.00 34.79 A
ATOM 124 CG2 THR A 25 34.801 56.315 64.201 1.00 41.67 A
ATOM 125 C THR A 25 36.767 57.481 66.061 1.00 32.82 A
ATOM 126 O THR A 25 35.944 57.431 66.984 1.00 27.65 A
ATOM 127 N THR A 26 37.989 56.955 66.149 1.00 30.63 A
ATOM 128 CA THR A 26 38.434 56.260 67.357 1.00 34.44 A
ATOM 129 CB THR A 26 39.847 55.656 67.195 1.00 37.21 A
ATOM 130 OGl THR A 26 39.903 54.868 65.998 1.00 42.02 A
ATOM 131 CG2 THR A 26 40.175 54.770 68.390 1.00 29.18 A
ATOM 132 C THR A 26 38.471 57.248 68.519 1.00 36.27 A
ATOM 133 O THR A 26 38.041 56.932 69.630 1.00 36.41 A
ATOM 134 N LEU A 27 38.980 58.449 68.255 1.00 33.29 A
ATOM 135 CA LEU A 27 39.060 59.468 69.290 1.00 36.04 A
ATOM 136 CB LEU A 27 39.747 60.744 68.769 1.00 31.01 A
ATOM 137 CG LEU A 27 39.821 61.872 69.812 1.00 30.32 A
ATOM 138 CDl LEU A 27 40.653 61.422 71.022 1.00 20.78 A
ATOM 139 CD2 LEU A 27 40.420 63.113 69.180 1.00 25.15 A
ATOM 140 C LEU A 27 37.656 59.797 69.779 1.00 30.20 A
ATOM 141 O LEU A 27 37.421 59.914 70.981 1.00 36.39 A
ATOM 142 N THR A 28 36.719 59.934 68.848 1.00 29.66 A
ATOM 143 CA THR A 28 35.343 60.247 69.219 1.00 31.06 A
ATOM 144 CB THR A 28 34.420 60.258 67.996 1.00 31.01 A
ATOM 145 OGl THR A 28 34.923 61.186 67.038 1.00 34.01 A
ATOM 146 CG2 THR A 28 33.012 60.657 68.390 1.00 20.29 A
ATOM 147 C THR A 28 34.837 59.191 70.186 1.00 33.19 A
ATOM 148 O THR A 28 34.199 59.513 71.187 1.00 38.48 A
ATOM 149 N ALA A 29 35.126 57.928 69.875 1.00 33.08 A
ATOM 150 CA ALA A 29 34.702 56.823 70.721 1.00 35.90 A
ATOM 151 CB ALA A 29 35.016 55.488 70.048 1.00 35.80 A
ATOM 152 C ALA A 29 35.411 56.920 72.070 1.00 33.89 A
ATOM 153 O ALA A 29 34.776 56.832 73.108 1.00 37.87 A
ATOM 154 N ALA A 30 36.721 57.127 72.048 1.00 31.09 A
ATOM 155 CA ALA A 30 37.496 57.239 73.279 1.00 30.19 A
ATOM 156 CB ALA A 30 38.990 57.482 72.942 1.00 21.80 A
ATOM 157 C ALA A 30 36.966 58.362 74.186 1.00 34.24 A
ATOM 158 O ALA A 30 36.924 58.213 75.414 1.00 36.32 A
ATOM 159 N ILE A 31 36.568 59.488 73.594 1.00 31.05 A
ATOM 160 CA ILE A 31 36.051 60.598 74.394 1.00 32.86 A
ATOM 161 CB ILE A 31 35.816 61.860 73.522 1.00 33.87 A
ATOM 162 CG2 ILE A 31 35.146 62.966 74.342 1.00 32.84 A
ATOM 163 CGl ILE A 31 37.166 62.368 73.003 1.00 27.92 A
ATOM 164 CDl ILE A 31 37.068 63.548 72.087 1.00 17.08 A
ATOM 165 C ILE A 31 34.771 60.225 75.149 1.00 32.73 A
ATOM 166 O ILE A 31 34.689 60.412 76.372 1.00 32.50 A
ATOM 167 N THR A 32 33.782 59.681 74.443 1.00 29.54 A
ATOM 168 CA THR A 32 32.538 59.282 75.103 1.00 33.75 A
ATOM 169 CB THR A 32 31.489 58.736 74.103 1.00 37.32 A
ATOM 170 OGl THR A 32 32.047 57.639 73.364 1.00 35.82 A
ATOM 171 CG2 THR A 32 31.042 59.832 73.155 1.00 38.84 A ATOM 172 C THR A 32 32.706 58.221 76.195 1.00 36.25 A
ATOM 173 O THR A 32 32.110 58.344 77.266 1.00 37.62 A
ATOM 174 N THR A 33 33.517 57.192 75.948 1.00 37.69 A
ATOM 175 CA THR A 33 33.653 56.155 76.955 1.00 40.83 A
ATOM 176 CB THR A 33 34.124 54.785 76.344 1.00 38.24 A
ATOM 177 OGl THR A 33 35.447 54.468 76.790 1.00 44.13 A
ATOM 178 CG2 THR A 33 34.068 54.818 74.825 1.00 23.59 A
ATOM 179 C THR A 33 34.517 56.537 78.153 1.00 39.06 A
ATOM 180 O THR A 33 34.241 56.092 79.265 1.00 37.54 A
ATOM 181 N VAL A 34 35.544 57.359 77.951 1.00 37.51 A
ATOM 182 CA VAL A 34 36.380 57.744 79.083 1.00 36.12 A
ATOM 183 CB VAL A 34 37.718 58.362 78.628 1.00 32.00 A
ATOM 184 CGl VAL A 34 38.458 58.957 79.826 1.00 33.69 A
ATOM 185 CG2 VAL A 34 38.582 57.291 77.986 1.00 32.52 A
ATOM 186 C VAL A 34 35.613 58.725 79.969 1.00 35.47 A
ATOM 187 O VAL A 34 35.636 58.619 81.194 1.00 38.70 A
ATOM 188 N LEU A 35 34.913 59.665 79.347 1.00 34.63 A
ATOM 189 CA LEU A 35 34.120 60.638 80.096 1.00 33.13 A
ATOM 190 CB LEU A 35 33.553 61.694 79.149 1.00 27.15 A
ATOM 191 CG LEU A 35 34.235 63.065 79.121 1.00 35.56 A
ATOM 192 CDl LEU A 35 35.753 62.921 79.167 1.00 35.13 A
ATOM 193 CD2 LEU A 35 33.796 63.802 77.855 1.00 24.32 A
ATOM 194 C LEU A 35 32.976 59.972 80.864 1.00 34.68 A
ATOM 195 O LEU A 35 32.686 60.347 81.999 1.00 38.69 A
ATOM 196 N ALA A 36 32.320 58.994 80.247 1.00 33.94 A
ATOM 197 CA ALA A 36 31.232 58.278 80.909 1.00 35.35 A
ATOM 198 CB ALA A 36 30.491 57.374 79.899 1.00 25.88 A
ATOM 199 C ALA A 36 31.784 57.435 82.065 1.00 37.05 A
ATOM 200 O ALA A 36 31.161 57.336 83.115 1.00 43.41 A
ATOM 201 N LYS A 37 32.956 56.836 81.865 1.00 39.64 A
ATOM 202 CA LYS A 37 33.598 56.003 82.878 1.00 40.47 A
ATOM 203 CB LYS A 37 34.715 55.170 82.217 1.00 45.69 A
ATOM 204 CG LYS A 37 35.718 54.491 83.160 1.00 47.13 A
ATOM 205 CD LYS A 37 36.792 53.736 82.355 1.00 52.23 A
ATOM 206 CE LYS A 37 37.904 53.183 83.252 1.00 55.10 A
ATOM 207 NZ LYS A 37 38.935 52.408 82.496 1.00 49.98 A
ATOM 208 C LYS A 37 34.160 56.839 84.033 1.00 43.15 A
ATOM 209 O LYS A 37 34.149 56.403 85.185 1.00 43.81 A
ATOM 210 N THR A 38 34.628 58.048 83.726 1.00 43.87 A
ATOM 211 CA THR A 38 35.219 58.929 84.740 1.00 41.90 A
ATOM 212 CB THR A 38 36.284 59.855 84.131 1.00 37.29 A
ATOM 213 OGl THR A 38 37.299 59.070 83.493 1.00 34.06 A
ATOM 214 CG2 THR A 38 36.916 60.721 85.231 1.00 31.68 A
ATOM 215 C THR A 38 34.248 59.826 85.507 1.00 41.33 A
ATOM 216 O THR A 38 34.282 59.883 86.731 1.00 42.60 A
ATOM 217 N TYR A 39 33.402 60.545 84.780 1.00 44.28 A
ATOM 218 CA TYR A 39 32.444 61.453 85.399 1.00 44.65 A
ATOM 219 CB TYR A 39 32.467 62.816 84.695 1.00 41.38 A
ATOM 220 CG TYR A 39 33.837 63.454 84.595 1.00 36.84 A
ATOM 221 CDl TYR A 39 34.551 63.805 85.739 1.00 35.11 A
ATOM 222 CEl TYR A 39 35.808 64.397 85.654 1.00 31.52 A
ATOM 223 CD2 TYR A 39 34.416 63.712 83.357 1.00 30.67 A
ATOM 224 CE2 TYR A 39 35.673 64.309 83.260 1.00 33.82 A
ATOM 225 CZ TYR A 39 36.363 64.648 84.414 1.00 27.97 A
ATOM 226 OH TYR A 39 37.612 65.233 84.337 1.00 31.36 A
ATOM 227 C TYR A 39 31.035 60.897 85.333 1.00 52.46 A
ATOM 228 O TYR A 39 30.072 61.630 85.544 1.00 55.42 A
ATOM 229 N GLY A 40 30.914 59.609 85.026 1.00 60.87 A
ATOM 230 CA GLY A 40 29.602 58.989 84.936 1.00 66.90 A ATOM 231 C GLY A 40 28.854 59.057 86.253 1.00 71.66 A
ATOM 232 O GLY A 40 28.745 58.060 86.971 1.00 72.24 A
ATOM 233 N GLY A 41 28.338 60.243 86.566 1.00 74.79 A
ATOM 234 CA GLY A 41 27.611 60.449 87.805 1.00 75.75 A
ATOM 235 C GLY A 41 27.729 61.884 88.286 1.00 77.12 A
ATOM 236 O GLY A 41 28.402 62.712 87.663 1.00 75.12 A
ATOM 237 N GLU A 55 16.574 55.188 77.679 1.00 88.29 A
ATOM 238 CA GLU A 55 15.877 56.286 77.022 .00 i.81 A
ATOM 239 CB GLU A 55 16.468 57.624 77.481 1.00 88.30 A
ATOM 240 CG GLU A 55 15.575 58.828 77.242 1.00 89.38 A
ATOM 241 CD GLU A 55 14.303 58.792 78.072 1.00 91.65 A
ATOM 242 OEl GLU A 55 13.444 57.922 77.811 1.00 92.46 A
ATOM 243 OE2 GLU A 55 14.166 59.632 78.989 1.00 87.57 A
ATOM 244 C GLU A 55 16.039 56.126 75.512 1.00 88.65 A
ATOM 245 O GLU A 55 17.149 55.923 75.020 1.00 87.39 A
ATOM 246 N LYS A 56 14.927 56.201 74.785 1.00 90.19 A
ATOM 247 CA LYS A 56 14.950 56.057 73.332 1.00 91.75 A
ATOM 248 CB LYS A 56 13.699 55.312 72.851 1.00 92.38 A
ATOM 249 CG LYS A 56 13.956 54.268 71.762 1.00 91.91 A
ATOM 250 CD LYS A 56 14.797 53.095 72.282 1.00 88.92 A
ATOM 251 CE LYS A 56 15.042 52.046 71.195 1.00 86.89 A
ATOM 252 NZ LYS A 56 15.894 50.907 71.658 1.00 81.50 A
ATOM 253 C LYS A 56 15.025 57.431 72.667 1.00 91.93 A
ATOM 254 O LYS A 56 14.771 57.576 71.471 1.00 93.46 A
ATOM 255 N ALA A 57 15.384 58.439 73.463 1.00 90.10 A
ATOM 256 CA ALA A 57 15.503 59.819 72.990 1.00 85.64 A
ATOM 257 CB ALA A 57 15.346 60.777 74.158 00 80.00 A
ATOM 258 C ALA A 57 16.843 60.055 72.280 1.00 84.62 A
ATOM 259 O ALA A 57 17.906 59.981 72.888 1.00 81.23 A
ATOM 260 N ARG A 58 16.763 60.350 70.988 1.00 85.16 A
ATOM 261 CA ARG A 58 17.927 60.622 70.153 00 88.96 A
ATOM 262 CB ARG A 58 18.270 59.369 69.331 00 90.36 A
ATOM 263 CG ARG A 58 17.044 58.559 68.943 00 94.28 A
ATOM 264 CD ARG A 58 17.263 57.796 67.667 00 94.43 A
ATOM 265 NE ARG A 58 16.317 56.697 67.533 1.00 93.44 A
ATOM 266 CZ ARG A 58 16.216 55.940 66.449 .00 94.84 A
ATOM 267 NHl ARG A 58 16.999 56.169 65.404 .00 98.02 A
ATOM 268 NH2 ARG A 58 15.347 54.941 66.413 .00 94.76 A
ATOM 269 C ARG A 58 17.562 61.773 69.219 1.00 91.79 A
ATOM 270 O ARG A 58 16.964 61.570 68.159 00 96.59 A
ATOM 271 N GLY A 59 17.893 62.990 69.627 00 88.52 A
ATOM 272 CA GLY A 59 17.572 64.125 68.777 00 85.53 A
ATOM 273 C GLY A 59 18.445 64.065 67.543 1.00 83.47 A
ATOM 274 O GLY A 59 18.121 63.426 66.540 .00 85.07 A
ATOM 275 N ILE A 60 19.576 64.738 67.651 .00 78.99 A
ATOM 276 CA ILE A 60 20.559 64.840 66.593 1.00 78.14 A
ATOM 277 CB ILE A 60 21.512 66.001 66.877 1.00 77.27 A
ATOM 278 CG2 ILE A 60 20.722 67.258 67.156 1.00 73.07 A
ATOM 279 CGl ILE A 60 22.390 65.651 68.079 1 .00 75.90 A
ATOM 280 CDl ILE A 60 23.514 66.619 68.312 1.00 76.50 A
ATOM 281 C ILE A 60 21.401 63.583 66.420 1.00 78.42 A
ATOM 282 O ILE A 60 22.055 63.421 65.394 .00 79.83 A
ATOM 283 N THR A 61 21.399 62.700 67.417 ,00 79.65 A
ATOM 284 CA THR A 61 22.194 61.472 67.342 .00 79.19 A
ATOM 285 CB THR A 61 22.353 60.792 68.733 .00 76.34 A
ATOM 286 OGl THR A 61 21.064 60.542 69.303 .00 71.28 A
ATOM 287 CG2 THR A 61 23.164 61.681 69.679 ,00 73.52 A
ATOM 288 C THR A 61 21.622 60.459 66.350 ,00 80.05 A
ATOM 289 O THR A 61 22.195 59.383 66.146 1.00 81.04 A ATOM 290 N ILE A 62 20.489 60.801 65.740 1.00 78.49 A
ATOM 291 CA ILE A 62 19.874 59.931 64.750 1.00 78.57 A
ATOM 292 CB ILE A 62 18.566 60.539 64.198 1.00 80.83 A
ATOM 293 CG2 ILE A 62 18.828 61.936 63.655 1.00 80.74 A
ATOM 294 CGl ILE A 62 17.995 59.649 63.089 1.00 82.52 A
ATOM 295 CDl ILE A 62 17.718 58.217 63.506 1.00 84.48 A
ATOM 296 C ILE A 62 20.899 59.803 63.625 1.00 78.42 A
ATOM 297 O ILE A 62 20.876 58.842 62.852 1.00 76.35 A
ATOM 298 N ASN A 63 21.795 60.787 63.554 1.00 76.45 A
ATOM 299 CA ASN A 63 22.875 60.814 62.570 1.00 77.85 A
ATOM 300 CB ASN A 63 23.248 62.263 62.243 1.00 78.08 A
ATOM 301 CG ASN A 63 24.319 62.368 61.170 1.00 80.39 A
ATOM 302 ODl ASN A 63 25.402 61.797 61.297 1.00 80.76 A
ATOM 303 ND2 ASN A 63 24.022 63.112 60.107 1.00 79.25 A
ATOM 304 C ASN A 63 24.069 60.086 63.209 1.00 78.04 A
ATOM 305 O ASN A 63 24.513 60.450 64.296 1.00 73.59 A
ATOM 306 N THR A 64 24.576 59.061 62.531 1.00 79.68 A
ATOM 307 CA THR A 64 25.690 58.256 63.035 1.00 80.33 A
ATOM 308 CB THR A 64 26.093 57.186 62.000 1.00 84.34 A
ATOM 309 OGl THR A 64 24.975 56.324 61.753 1.00 87.92 A
ATOM 310 CG2 THR A 64 27.273 56.356 62.511 1.00 88.61 A
ATOM 311 C THR A 64 26.947 59.022 63.452 1.00 76.12 A
ATOM 312 O THR A 64 27.609 58.654 64.427 1.00 73.65 A
ATOM 313 N SER A 65 27.281 60.076 62.717 1.00 70.78 A
ATOM 314 CA SER A 65 28.466 60.863 63.030 1.00 65.17 A
ATOM 315 CB SER A 65 29.052 61.433 61.738 1. 0000 6 644..6611 A
ATOM 316 OG SER A 65 28.043 62.058 60.967 1.0000 6 699..5544 A
ATOM 317 C SER A 65 28.220 61.988 64.052 1.00 58.40 A
ATOM 318 O SER A 65 29.034 62.898 64.187 1.00 51.85 A
ATOM 319 N HIS A 66 27.100 61.912 64.768 1.00 56.71 A
ATOM 320 CA HIS A 66 26.748 62.897 65.794 1.00 56.03 A
ATOM 321 CB HIS A 66 25.423 63.588 65.464 1.00 64.53 A
ATOM 322 CG HIS A 66 25.558 64.768 64.557 1.00 69.54 A
ATOM 323 CD2 HIS A 66 25.239 66.071 64.742 1.00 73.13 A
ATOM 324 NDl HIS A 66 26.053 64.672 63.275 1.00 70.64 A
ATOM 325 CEl HIS A 66 26.030 65.865 62.706 1.00 71.13 A
ATOM 326 NE2 HIS A 66 25.540 66.731 63.575 1.00 75.77 A
ATOM 327 C HIS A 66 26.591 62.242 67.160 1.00 52.68 A
ATOM 328 O HIS A 66 25.676 61.435 67.361 1.00 53.48 A
ATOM 329 N VAL A 67 27.468 62.592 68.098 1.00 41.81 A
ATOM 330 CA VAL A 67 27.379 62.038 69.441 1.00 38.32 A
ATOM 331 CB VAL A 67 28.609 61.160 69.794 1.00 39.66 A
ATOM 332 CGl VAL A 67 28.719 59.994 68.808 1.00 34.13 A
ATOM 333 CG2 VAL A 67 29.878 61.998 69.775 1.00 40.05 A
ATOM 334 C VAL A 67 27.264 63.168 70.446 1.00 40.35 A
ATOM 335 O VAL A 67 27.435 64.342 70.108 1.00 40.68 A
ATOM 336 N GLU A 68 26.947 62.812 71.680 1.00 42.17 A
ATOM 337 CA GLU A 68 26.819 63.786 72.750 1.00 41.85 A
ATOM 338 CB GLU A 68 25.342 64.091 73.027 1.00 40.14 A
ATOM 339 CG GLU A 68 24.625 64.717 71.828 1.00 52.74 A
ATOM 340 CD GLU A 68 23.215 65.223 72.145 1.00 49.38 A
ATOM 341 OEl GLU A 68 23.070 66.154 72.964 1.00 47.24 A
ATOM 342 OE2 GLU A 68 22.248 64.692 71.567 1.00 52.69 A
ATOM 343 C GLU A 68 27.486 63.227 73.994 1.00 42.03 A
ATOM 344 O GLU A 68 27.421 62.024 74.260 1.00 48.90 A
ATOM 345 N TYR A 69 28.154 64.099 74.736 1.00 38.83 A
ATOM 346 CA TYR A 69 28.822 63.696 75.963 1.00 38.97 A
ATOM 347 CB TYR A 69 30.202 63.111 75.665 1.00 32.39 A
ATOM 348 CG TYR A 69 31.069 63.941 74.753 1.00 31.61 A ATOM 349 CDl TYR A 69 31.755 65.060 75.225 1.00 37.61 A
ATOM 350 CEl TYR A 69 32.605 65.792 74.384 1.00 28.90 A
ATOM 351 CD2 TYR A 69 31.242 63.576 73.415 1.00 36.26 A
ATOM 352 CE2 TYR A 69 32.073 64.291 72.572 1.00 34.50 A
ATOM 353 CZ TYR A 69 32.756 65.395 73.060 1.00 34.44 A
ATOM 354 OH TYR A 69 33 - 595 66.074 72.209 1.00 29.69 A
ATOM 355 C TYR A 69 28.933 64.863 76.934 1.00 42.47 A
ATOM 356 O TYR A 69 28.721 66.021 76.561 1.00 40.93 A
ATOM 357 N ASP A 70 29.276 64.549 78.178 1.00 41.61 A
ATOM 358 CA ASP A 70 29.375 65.552 79.222 1.00 35.85 A
ATOM 359 CB ASP A 70 28.271 65.316 80.246 1.00 36.11 A
ATOM 360 CG ASP A 70 26.903 65.584 79.700 1.00 43.46 A
ATOM 361 ODl ASP A 70 26.441 66.733 79.824 1.00 47.61 A
ATOM 362 OD2 ASP A 70 26.289 64.651 79.142 1.00 54.13 A
ATOM 363 C ASP A 70 30.676 65.606 79.995 1.00 36.03 A
ATOM 364 O ASP A 70 31.288 64.576 80.281 1.00 39.13 A
ATOM 365 N THR A 71 31.085 66.825 80.334 1.00 31.82 A
ATOM 366 CA THR A 71 32.236 67.032 81.193 1.00 31.83 A
ATOM 367 CB THR A 71 33.183 68.135 80.709 1.00 31.43 A
ATOM 368 OGl THR A 71 32.444 69.338 80.476 1.00 29.89 A
ATOM 369 CG2 THR A 71 33.919 67.691 79.451 1.00 34.43 A
ATOM 370 C THR A 71 31.534 67.499 82.469 1.00 33.56 A
ATOM 371 O THR A 71 30.315 67.687 82.471 1.00 29.50 A
ATOM 372 N PRO A 72 32.275 67.675 83.568 1.00 28.51 A
ATOM 373 CD PRO A 72 33.659 67.246 83.846 1.00 27.73 A
ATOM 374 CA PRO A 72 31.600 68.115 84.791 1.00 29.02 A
ATOM 375 CB PRO A 72 32.760 68.297 85.760 1.00 22.80 A
ATOM 376 CG PRO A 72 33.668 67.151 85.368 1.00 34.07 A
ATOM 377 C PRO A 72 30.705 69.363 84.691 1.00 34.28 A
ATOM 378 O PRO A 72 29.675 69.444 85.350 1.00 37.11 A
ATOM 379 N THR A 73 31.075 70.327 83.860 1.00 35.62 A
ATOM 380 CA THR A 73 30.284 71.550 83.764 1.00 33.90 A
ATOM 381 CB THR A 73 31.100 72.783 84.189 1.00 28.20 A
ATOM 382 OGl THR A 73 32.193 72.958 83.281 1.00 36.67 A
ATOM 383 CG2 THR A 73 31.657 72.603 85.594 1.00 35.02 A
ATOM 384 C THR A 73 29.719 71.865 82.391 1.00 37.98 A
ATOM 385 O THR A 73 29.127 72.924 82.203 1.00 33.99 A
ATOM 386 N ARG A 74 29.895 70.968 81.428 1.00 37.34 A
ATOM 387 CA ARG A 74 29.379 71.231 80.090 1.00 33.50 A
ATOM 388 CB ARG A 74 30.461 71.840 79.206 1.00 34.54 A
ATOM 389 CG ARG A 74 30.787 73.288 79.459 1.00 27.89 A
ATOM 390 CD ARG A 74 31.818 73.688 78.430 1.00 37.84 A
ATOM 391 NE ARG A 74 32.160 75.100 78.492 1.00 40.57 A
ATOM 392 CZ ARG A 74 33.068 75.674 77.712 1.00 39.37 A
ATOM 393 NHl ARG A 74 33.727 74.948 76.814 1.00 34.42 A
ATOM 394 NH2 ARG A 74 33.305 76.975 77.819 1.00 33.71 A
ATOM 395 C ARG A 74 28.831 70.034 79.353 1.00 32.95 A
ATOM 396 O ARG A 74 29.175 68.891 79.652 1.00 39.64 A
ATOM 397 N HIS A 75 27.987 70.329 78.365 1.00 27.58 A
ATOM 398 CA HIS A 75 27.384 69.325 77.509 1.00 30.83 A
ATOM 399 CB HIS A 75 25.858 69.422 77.514 1.00 28.68 A
ATOM 400 CG HIS A 75 25.195 68.376 76.673 1.00 33.33 A
ATOM 401 CD2 HIS A 75 24.583 68.461 75.470 1.00 34.55 A
ATOM 402 NDl HIS A 75 25.188 67.036 77.011 1.00 33.33 A
ATOM 403 CEl HIS A 75 24.604 66.344 76.048 1.00 39.27 A
ATOM 404 NE2 HIS A 75 24.228 67.185 75.100 1.00 41.36 A
ATOM 405 C HIS A 75 27.895 69.605 76.101 1.00 31.65 A
ATOM 406 O HIS A 75 27.902 70.755 75.662 1.00 30.19 A
ATOM 407 N TYR A 76 28.320 1.557 75.401 1.00 32.91 A ATOM 408 CA TYR A 76 28.848 68.697 74.051 1.00 25.47 A
ATOM 409 CB TYR A 76 30.317 68.261 73.989 1.00 19.31 A
ATOM 410 CG TYR A 76 31.273 69.149 74.747 1.00 28.56 A
ATOM 411 CDl TYR A 76 31.466 68.994 76.116 1.00 23.28 A
ATOM 412 CEl TYR A 76 32.320 69.846 76.823 1.00 26.24 A
ATOM 413 CD2 TYR A 76 31.959 70.180 74.096 1.00 26.60 A
ATOM 414 CE2 TYR A 76 32.807 71.036 74.790 1.00 31.23 A
ATOM 415 CZ TYR A 76 32.984 70.867 76.153 1.00 27.40 A
ATOM 416 OH TYR A 76 33.801 71.741 76.836 1.00 26.98 A
ATOM 417 C TYR A 76 28.104 67.912 72.979 1.00 29.92 A
ATOM 418 O TYR A 76 27.652 66.788 73.203 1.00 28.55 A
ATOM 419 N ALA A 77 27.990 68.536 71.810 1.00 31.12 A
ATOM 420 CA ALA A 77 27.384 67.931 70.625 1.00 33.19 A
ATOM 421 CB ALA A 77 26.387 68.876 69.992 1.00 26.33 A
ATOM 422 C ALA A 77 28.627 67.776 69.751 1.00 30.43 A
ATOM 423 O ALA A 77 29.323 68.753 69.472 1.00 32.71 A
ATOM 424 N HIS A 78 28.915 66.550 69.334 1.00 34.37 A
ATOM 425 CA HIS A 78 30.136 66.272 68.578 1.00 31.04 A
ATOM 426 CB HIS A 78 31.019 65.373 69.463 1.00 22.41 A
ATOM 427 CG HIS A 78 32.343 65.003 68.867 1.00 21.32 A
ATOM 428 CD2 HIS A 78 32.660 64.324 67.740 1.00 26.03 A
ATOM 429 NDl HIS A 78 33.540 65.269 69.502 1.00 23.95 A
ATOM 430 CEl HIS A 78 34.535 64.766 68.794 1.00 21.40 A
ATOM 431 NE2 HIS A 78 34.028 64.187 67.718 1.00 29.10 A
ATOM 432 C HIS A 78 29.913 65.636 67.207 1.00 30.75 A
ATOM 433 O HIS A 78 29.281 64.581 67.083 1.00 30.08 A
ATOM 434 N VAL A 79 30.443 66.278 66.171 1.00 34.43 A
ATOM 435 CA VAL A 79 30.310 65.740 64.819 1.00 32.61 A
ATOM 436 CB VAL A 79 29.856 66.829 63.809 1.00 34.82 A
ATOM 437 CGl VAL A 79 30.817 67.998 63.833 1.00 39.00 A
ATOM 438 CG2 VAL A 79 29.799 66.243 62.391 1.00 35.54 A
ATOM 439 C VAL A 79 31.643 65.145 64.366 1.00 31.74 A
ATOM 440 O VAL A 79 32.652 65.843 64.292 1.00 35.20 A
ATOM 441 N ASP A 80 31.642 63.846 64.084 1.00 35.40 A
ATOM 442 CA ASP A 80 32.840 63.137 63.639 1.00 39.59 A
ATOM 443 CB ASP A 80 32.817 61.696 64.179 1.00 30.23 A
ATOM 444 CG ASP A 80 34.038 60.878 63.761 1.00 38.55 A
ATOM 445 ODl ASP A 80 35.143 61.448 63.581 1.00 34.12 A
ATOM 446 OD2 ASP A 80 33.890 59.642 63.631 1.00 44.78 A
ATOM 447 C ASP A 80 32.837 63.160 62.112 1.00 45.74 A
ATOM 448 O ASP A 80 31.988 62.539 61.473 1.00 48.47 A
ATOM 449 N CYS A 81 33.792 63.885 61.536 1.00 46.78. A
ATOM 450 CA CYS A 81 33.886 64.037 60.085 1.00 48.27 A
ATOM 451 CB CYS A 81 34.363 65.460 59.735 1.00 51.00 A
ATOM 452 SG CYS A 81 33.498 66.843 60.532 1.00 49.73 A
ATOM 453 C CYS A 81 34.811 63.055 59.364 1.00 46.55 A
ATOM 454 O CYS A 81 35.887 62.714 59.855 1.00 43.59 A
ATOM 455 N PRO A 82 34.399 62.588 58.176 1.00 48.45 A
ATOM 456 CD PRO A 82 33.084 62.763 57.539 1.00 49.42 A
ATOM 457 CA PRO A 82 35.232 61.659 57.405 1.00 46.60 A
ATOM 458 CB PRO A 82 34.270 61.149 56.337 1.00 43.84 A
ATOM 459 CG PRO A 82 33.358 62.322 56.131 1.00 40.67 A
ATOM 460 C PRO A 82 36.388 62.502 56.835 1.00 42.91 A
ATOM 461 O PRO A 82 36.199 63.675 56.517 1.00 46.55 A
ATOM 462 N GLY A 83 37.577 61.922 56.708 1.00 43.02 A
ATOM 463 CA GLY A 83 38.712 62.698 56.227 1.00 41.25 A
ATOM 464 C GLY A 83 39.027 62.772 54.738 1.00 45.77 A
ATOM 465 O GLY A 83 39.891 63.559 54.325 1.00 41.61 A
ATOM 466 N HIS A 84 38.350 61.980 53.912 1.00 44.10 A ATOM 467 CA HIS A 84 38.665 62.004 52.485 1.00 46.12 A
ATOM 468 CB HIS A 84 38.159 60.742 51.790 1.00 48.33 A
ATOM 469 CG HIS A 84 38.796 60.504 50.457 1.00 50.76 A
ATOM 470 CD2 HIS A 84 39.690 59.573 50.050 1.00 51.98 A
ATOM 471 NDl HIS A 84 38.574 61.323 49.370 1.00 50.25 A
ATOM 472 CEl HIS A 84 39.305 60.906 48.353 1.00 49.56 A
ATOM 473 NE2 HIS A 84 39.993 59.846 48.739 1.00 47.57 A
ATOM 474 C HIS A 84 38.149 63.223 51.736 1.00 41.92 A
ATOM 475 O HIS A 84 37.004 63.638 51.908 1.00 41.76 A
ATOM 476 N ALA A 85 39.005 63.786 50.893 1.00 43.33 A
ATOM 477 CA ALA A 85 38.648 64.959 50.101 1.00 46.36 A
ATOM 478 CB ALA A 85 39.761 65.259 49.096 1.00 41.87 A
ATOM 479 C ALA A 85 37.294 64.808 49.376 1.00 46.26 A
ATOM 480 O ALA A 85 36.568 65.791 49.205 1.00 43. .6688 A
ATOM 481 N ASP A 86 36.950 63.590 48.952 1.00 40.41 A
ATOM 482 CA ASP A 86 35.670 63.363 48.267 1.00 44.35 A
ATOM 483 CB ASP A 86 35.479 61.880 47.901 1.00 49.12 A
ATOM 484 CG ASP A 86 36.284 61.453 46.671 1.00 47.07 A
ATOM 485 ODl ASP A 86 37.004 62.292 46.099 1.00 45.32 A
ATOM 486 OD2 ASP A 86 36.194 60.265 46.278 1.00 39.60 A
ATOM 487 C ASP A 86 34.468 63.779 49.110 1.00 45.98 A
ATOM 488 O ASP A 86 33.379 63.987 48.579 1.00 45.09 A
ATOM 489 N TYR A 87 34.662 63.896 50.421 1.00 46.88 A
ATOM 490 CA TYR A 87 33.572 64.244 51.331 1.00 44.69 A
ATOM 491 CB TYR A 87 33.504 63.211 52.464 1.00 46.21 A
ATOM 492 CG TYR A 87 33.342 61.775 52.012 1.00 42.38 A
ATOM 493 CDl TYR A 87 32.153 61.338 51.432 1.00 40.76 A
ATOM 494 CEl TYR A 87 31.988 60.006 51.041 1.00 41.26 A
ATOM 495 CD2 TYR A 87 34.372 60.845 52.188 1.00 45.31 A
ATOM 496 CE2 TYR A 87 34.218 59.508 51.799 1.00 40.29 A
ATOM 497 CZ TYR A 87 33.022 59.100 51.227 1.00 40.19 A
ATOM 498 OH TYR A 87 32.853 57.792 50.843 1.00 41.86 A
ATOM 499 C TYR A 87 33.641 65.638 51.956 1.00 45.52 A
ATOM 500 O TYR A 87 32.922 65.910 52.921 1.00 48.81 A
ATOM 501 N VAL A 88 34.489 66.519 51.434 1.00 42.56 A
ATOM 502 CA VAL A 88 34.585 67.858 52.013 1.00 50.67 A
ATOM 503 CB VAL A 88 35.552 68.778 51.218 1.00 49.69 A
ATOM 504 CGl VAL A 88 36.995 68.427 51.547 1.00 51.10 A
ATOM 505 CG2 VAL A 88 35.293 68.648 49.725 1.00 58.61 A
ATOM 506 C VAL A 88 33.245 68.586 52.175 1.00 50.94 A
ATOM 507 O VAL A 88 33.041 69.271 53.173 1.00 47.92 A
ATOM 508 N LYS A 89 32.330 68.443 51.220 1.00 54.84 A
ATOM 509 CA LYS A 89 31.035 69.125 51.338 1.00 64.52 A
ATOM 510 CB LYS A 89 30.049 68.664 50.253 1.00 61.05 A
ATOM 511 CG LYS A 89 30.301 69.251 48.866 1.00 68.09 A
ATOM 512 CD LYS A 89 29.002 69.378 48.051 1.00 71.95 A
ATOM 513 CE LYS A 89 28.340 68.024 47.760 1.00 77.38 A
ATOM 514 NZ LYS A 89 27.073 68.142 46.964 1.00 65.85 A
ATOM 515 C LYS A 89 30.408 68.873 52.703 1.00 67.65 A
ATOM 516 O LYS A 89 30.176 69.794 53.485 1.00 74.24 A
ATOM 517 N ASN A 90 30.151 67.604 52.972 1.00 72.87 A
ATOM 518 CA ASN A 90 29.534 67.157 54.203 1.00 76.80 A
ATOM 519 CB ASN A 90 29.758 65.651 54.329 1.00 78.68 A
ATOM 520 CG ASN A 90 29.393 64.914 53.050 1.00 80.18 A
ATOM 521 ODl ASN A 90 28.244 64.938 52.608 1.00 75.57 A
ATOM 522 ND2 ASN A 90 30.380 64.270 52.437 1.00 80.81 A
ATOM 523 C ASN A 90 29.958 67.883 55.481 1.00 80.45 A
ATOM 524 O ASN A 90 29.102 68.267 56.286 1.00 85.77 A
ATOM 525 N MET A 91 31.258 68.092 55.676 1.00 77.42 A ATOM 526 CA MET A 91 31.709 68.759 56.887 1.00 76.32 A
ATOM 527 CB MET A 91 33.169 68.420 57.183 1.00 73.07 A
ATOM 528 CG MET A 91 34.136 68.622 56.053 1.00 67.70 A
ATOM 529 SD MET A 91 35.787 68.193 56.659 1.00 72.49 A
ATOM 530 CE MET A 91 36.324 69.790 57.300 1.00 62.63 A
ATOM 531 C MET A 91 31.503 70.270 56.929 1.00 78.06 A
ATOM 532 O MET A 91 31.441 70.856 58.008 1.00 81.61 A
ATOM 533 N ILE A 92 31.382 70.902 55.765 1.00 77.49 A
ATOM 534 CA ILE A 92 31.187 72.359 55.703 1.00 75.34 A
ATOM 535 CB ILE A 92 31.043 72.834 54.252 1.00 77.54 A
ATOM 536 CG2 ILE A 92 30.587 74.305 54.223 1.00 72.69 A
ATOM 537 CGl ILE A 92 32.375 72.677 53.540 1.00 81.65 A
ATOM 538 CDl ILE A 92 32.292 72.930 52.059 1.00 85.82 A
ATOM 539 C ILE A 92 29.999 72.874 56.511 1.00 73.53 A
ATOM 540 O ILE A 92 30.154 73.779 57.324 1.00 78.19 A
ATOM 541 N THR A 93 28.816 72.324 56.262 1.00 69.21 A
ATOM 542 CA THR A 93 27.632 72.766 56.991 1.00 65.14 A
ATOM 543 CB THR A 93 26.350 72.055 56.464 1.00 65.59 A
ATOM 544 OGl THR A 93 25.867 72.743 55.304 1.00 69.73 A
ATOM 545 CG2 THR A 93 25.266 72.038 57.529 1.00 60.25 A
ATOM 546 C THR A 93 27.813 72.484 58.482 1.00 62.53 A
ATOM 547 O THR A 93 27.179 73.120 59.327 1.00 59.48 A
ATOM 548 N GLY A 94 28.697 71.543 58.802 1.00 58.86 A
ATOM 549 CA GLY A 94 28.950 71.208 60.190 1.00 55.62 A
ATOM 550 C GLY A 94 29.979 72.128 60.820 1.00 52.40 A
ATOM 551 O GLY A 94 29.727 72.703 61.883 1.00 50.45 A
ATOM 552 N ALA A 95 31.142 72.257 60.179 1.00 46.62 A
ATOM 553 CA ALA A 95 32.209 73.125 60.671 1.00 47.58 A
ATOM 554 CB ALA A 95 33.347 73.151 59.666 1.00 37.86 A
ATOM 555 C ALA A 95 31.657 74.538 60.887 1.00 46.38 A
ATOM 556 O ALA A 95 32.023 75.220 61.843 1.00 46.49 A
ATOM 557 N ALA A 96 30.773 74.968 59.992 1.00 46.38 A
ATOM 558 CA ALA A 96 30.163 76.289 60.086 1.00 46.44 A
ATOM 559 CB ALA A 96 29.273 76.548 58.867 1.00 49.46 A
ATOM 560 C ALA A 96 29.342 76.420 61.363 1.00 49.13 A
ATOM 561 O ALA A 96 29.054 77.536 61.809 1.00 45.59 A
ATOM 562 N GLN A 97 28.952 75.286 61.946 1.00 47.66 A
ATOM 563 CA GLN A 97 28.171 75.318 63.180 1.00 48.76 A
ATOM 564 CB GLN A 97 26.985 74.352 63.101 1.00 55.55 A
ATOM 565 CG GLN A 97 25.882 74.776 62.141 1.00 71.55 A
ATOM 566 CD GLN A 97 24.557 74.052 62.400 1.00 79.55 A
ATOM 567 OEl GLN A 97 24.533 72.845 62.662 1.00 81.49 A
ATOM 568 NE2 GLN A 97 23.449 74.790 62.314 1.00 73.81 A
ATOM 569 C GLN A 97 29.004 74.994 64.424 1.00 41.72 A
ATOM 570 O GLN A 97 28.483 74.983 65.534 1.00 36.31 A
ATOM 571 N MET A 98 30.293 74.738 64.239 1.00 38.29 A
ATOM 572 CA MET A 98 31.171 74.411 65.359 1.00 38.22 A
ATOM 573 CB MET A 98 32.429 73.688 64.854 1.00 35.00 A
ATOM 574 CG MET A 98 32.202 72.257 64.394 1.00 38.63 A
ATOM 575 SD MET A 98 33.683 71.492 63.690 1.00 46.51 A
ATOM 576 CE MET A 98 34.385 70.803 65.103 1.00 61.28 A
ATOM 577 C MET A 98 31.602 75.625 66.183 1.00 38.36 A
ATOM 578 O MET A 98 31.897 76.690 65.637 1.00 35.85 A
ATOM 579 N ASP A 99 31.628 75.458 67.501 1.00 32.62 A
ATOM 580 CA ASP A 99 32.072 76.517 68.395 1.00 31.54 A
ATOM 581 CB ASP A 99 31.414 76.358 69.776 1.00 32.20 A
ATOM 582 CG ASP A 99 29.939 76.711 69.757 1.00 36.92 A
ATOM 583 ODl ASP A 99 29.117 75.953 70.318 1.00 32.07 A
ATOM 584 OD2 ASP A 99 29.600 77.764 69.173 1.00 46.01 A ATOM 585 C ASP A 99 33.589 76.345 68.498 1.00 29.33 A
ATOM 586 O ASP A 99 34.313 77.273 68.842 1.00 30.85 A
ATOM 587 N GLY A 100 34.047 75.136 68.181 1.00 26.57 A
ATOM 588 CA GLY A 100 35.460 74.801 68.228 1.00 23.22 A
ATOM 589 C GLY A 100 35.641 73.445 67.558 1.00 29.31 A
ATOM 590 O GLY A 100 34.685 72.680 67.435 1.00 29.16 A
ATOM 591 N ALA A 101 36.856 73.142 67.119 1.00 27.12 A
ATOM 592 CA ALA A 101 37.126 71.876 66.454 1.00 28.22 A
ATOM 593 CB ALA A 101 37.306 72.113 64.969 1.00 30.92 A
ATOM 594 C ALA A 101 38.363 71.190 67.011 1.00 28.91 A
ATOM 595 O ALA A 101 39.289 71.856 67.479 1.00 27.20 A
ATOM 596 N ILE A 102 38.372 69.857 66.955 1.00 31.34 A
ATOM 597 CA ILE A 102 39.510 69.068 67.430 1.00 28.82 A
ATOM 598 CB ILE A 102 39.080 67.821 68.247 1.00 34.06 A
ATOM 599 CG2 ILE A 102 40.325 67.067 68.722 1.00 31.10 A
ATOM 600 CGl ILE A 102 38.195 68.220 69.427 1.00 34.83 A
ATOM 601 CDl ILE A 102 37.682 67.029 70.197 1.00 36.02 A
ATOM 602 C ILE A 102 40.248 68.543 66.210 1.00 24.88 A
ATOM 603 O ILE A 102 39.721 67.712 65.476 1.00 29.88 A
ATOM 604 N LEU A 103 41.466 69.017 66.000 1.00 24.92 A
ATOM 605 CA LEU A 103 42.267 68.566 64.872 1.00 28.20 A
ATOM 606 CB LEU A 103 43.222 69.670 64.411 1.00 26.43 A
ATOM 607 CG LEU A 103 44.079 69.228 63.222 1.00 27.85 A
ATOM 608 CDl LEU A 103 43.178 69.115 62.006 1.00 31.46 A
ATOM 609 CD2 LEU A 103 45.205 70.196 62.958 1.00 18.99 A
ATOM 610 C LEU A 103 43.082 67.338 65.258 1.00 31.96 A
ATOM 611 O LEU A 103 43.973 67.417 66.103 1.00 37.79 A
ATOM 612 N VAL A 104 42.784 66.204 64.635 1.00 36.83 A
ATOM 613 CA VAL A 104 43.511 64.966 64.922 1.00 33.52 A
ATOM 614 CB VAL A 104 42.591 63.738 64.795 1.00 32.16 A
ATOM 615 CGl VAL A 104 43.352 62.467 65.168 1.00 27.70 A
ATOM 616 CG2 VAL A 104 41.380 63.912 65.686 1.00 23.68 A
ATOM 617 C VAL A 104 44.678 64.792 63.956 1.00 34.41 A
ATOM 618 O VAL A 104 44.492 64.822 62.746 1.00 31.06 A
ATOM 619 N VAL A 105 45.881 64.619 64.493 1.00 36.50 A
ATOM 620 CA VAL A 105 47.064 64.438 63.657 1 1..0000 3377.94 A
ATOM 621 CB VAL A 105 47.959 65.710 63.644 1 1..0000 4 411..58 A
ATOM 622 CGl VAL A 105 49.190 65.465 62.768 1.00 37.17 A
ATOM 623 CG2 VAL A 105 47.168 66.916 63.126 1.00 28.88 A
ATOM 624 C VAL A 105 47.900 63.272 64.172 1.00 40.44 A
ATOM 625 O VAL A 105 48.355 63.292 65.312 .00 40.30 A
ATOM 626 N ALA A 106 48.105 62.258 63.334 .00 44.15 A
ATOM 627 CA ALA A 106 48.899 61.091 63.734 .00 44.50 A
ATOM 628 CB ALA A 106 48.726 59.962 62.719 .00 41.18 A
ATOM 629 C ALA A 106 50.378 61.453 63.872 .00 42.23 A
ATOM 630 O ALA A 106 50.959 62.076 62.986 .00 45.05 A
ATOM 631 N ALA A 107 50.985 61.074 64.992 1.00 41.57 A
ATOM 632 CA ALA A 107 52.398 61.367 65.226 1.00 44.61 A
ATOM 633 CB ALA A 107 52.781 60.980 66.649 1.00 43.27 A
ATOM 634 C ALA A 107 53.287 60.630 64.222 .00 46.82 A
ATOM 635 O ALA A 107 54.382 61.081 63.898 .00 50.10 A
ATOM 636 N THR A 108 52.812 59.488 63.739 .00 49.96 A
ATOM 637 CA THR A 108 53.555 58.702 62.765 .00 52.47 A
ATOM 638 CB THR A 108 52.846 57.344 62.512 .00 54.10 A
ATOM 639 OGl THR A 108 51.453 57.559 62.234 .00 53.19 A
ATOM 640 CG2 THR A 108 52.971 56.448 63.738 1.00 42.40 A
ATOM 641 C THR A 108 53.689 59.484 61.452 1.00 55.00 A
ATOM 642 O THR A 108 54.787 59.896 61.072 1.00 59.51 A
ATOM 643 N ASP A 109 52.560 59.708 60.787 1.00 54.65 A ATOM 644 CA ASP A 109 52.505 60.436 59.521 1.00 53.01 A
ATOM 645 CB ASP A 109 51.090 60.370 58.951 1.00 57.94 A
ATOM 646 CG ASP A 109 50.809 59.078 58.221 1.00 64.88 A
ATOM 647 ODl ASP A 109 51.216 58.006 58.719 1.00 64.48 A
ATOM 648 OD2 ASP A 109 50.166 59.141 57.152 1.00 70.20 A
ATOM 649 C ASP A 109 52.894 61.904 59.608 1.00 53.14 A
ATOM 650 O ASP A 109 53.642 62.421 58.764 1.00 53.70 A
ATOM 651 N GLY A 110 52.366 62.576 60.625 Ϊ .00 46.80 A
ATOM 652 CA GLY A 110 52.609 63.995 60.775 1.00 40.72 A
ATOM 653 C GLY A 110 51.561 64.659 59.897 1.00 36.85 A
ATOM 654 O GLY A 110 50.689 63.969 59.367 1.00 33.13 A
ATOM 655 N PRO A 111 51.604 65.985 59.719 1.00 36.89 A
ATOM 656 CD PRO A 111 52.496 66.978 60.341 1.00 43.92 A
ATOM 657 CA PRO A 111 50.600 66.636 58.871 1.00 41.26 A
ATOM 658 CB PRO A 111 51.038 68.101 58.879 1.00 39.92 A
ATOM 659 CG PRO A 111 51.677 68.257 60.234 1.00 43.11 A
ATOM 660 C PRO A 111 50.580 66.054 57.446 1.00 46.67 A
ATOM 661 O PRO A 111 51.633 65.806 56.834 1.00 37.37 A
ATOM 662 N MET A 112 49.373 65.839 56.932 1.00 46.14 A
ATOM 663 CA MET A 112 49.175 65.318 55.589 1.00 43.78 A
ATOM 664 CB MET A 112 48.627 63.897 55.666 1.00 45.30 A
ATOM 665 CG MET A 112 49.618 62.891 56.220 1.00 50.49 A
ATOM 666 SD MET A 112 51.055 62.632 55.159 1.00 50.94 A
ATOM 667 CE MET A 112 50.450 61.269 54.143 1.00 51.37 A
ATOM 668 C MET A 112 48.214 66.230 54.803 1.00 50.54 A
ATOM 669 O MET A 112 47.602 67.144 55.371 1.00 49.14 A
ATOM 670 N PRO A 113 48.077 65.997 53.484 1.00 45.48 A
ATOM 671 CD PRO A 113 48.723 64.929 52.702 1.00 43.16 A
ATOM 672 CA PRO A 113 47.2,01 66.794 52.624 1.00 47.12 A
ATOM 673 CB PRO A 113 47.055 65.911 51.390 1.00 47.43 A
ATOM 674 CG PRO A 113 48.425 65.348 51.268 1.00 45.23 A
ATOM 675 C PRO A 113 45.855 67.203 53.219 1.00 46.17 A
ATOM 676 O PRO A 113 45.493 68.387 53.202 1.00 50.23 A
ATOM 677 N GLN A 114 45.106 66.241 53.742 1.00 41.51 A
ATOM 678 CA GLN A 114 43.816 66.577 54.319 1.00 40.23 A
ATOM 679 CB GLN A 114 42.941 65.333 54.425 1.00 44.76 A
ATOM 680 CG GLN A 114 42.420 64.864 53.078 1.00 49.98 A
ATOM 681 CD GLN A 114 41.796 65.998 52.274 1.00 55.13 A
ATOM 682 OEl GLN A 114 42.429 66.573 51.376 1.00 51.73 A
ATOM 683 NE2 GLN A 114 40.555 66.338 52.606 1.00 47.84 A
ATOM 684 C GLN A 114 43.902 67.300 55.669 1.00 42.19 A
ATOM 685 O GLN A 114 42.894 67.835 56.150 1.00 42.36 A
ATOM 686 N THR A 115 45.085 67.322 56.281 1.00 35.21 A
ATOM 687 CA THR A 115 45.243 68.047 57.546 1.00 36.71 A
ATOM 688 CB THR A 115 46.634 67.832 58.193 1.00 33.50 A
ATOM 689 OGl THR A 115 46.969 66.438 58.179 1.00 36.12 A
ATOM 690 CG2 THR A 115 46.627 68.333 59.637 1.00 27.69 A
ATOM 691 C THR A 115 45.159 69.507 57.105 1.00 38.67 A
ATOM 692 O THR A 115 44.467 70.328 57.717 1.00 36.02 A
ATOM 693 N ARG A 116 45.863 69.798 56.012 1.00 39.65 A
ATOM 694 CA ARG A 116 45.902 71.130 55.415 1.00 42.38 A
ATOM 695 CB ARG A 116 46.824 71.135 54.195 1.00 41.34 A
ATOM 696 CG ARG A 116 48.154 71.819 54.399 1.00 53.36 A
ATOM 697 CD ARG A 116 48.933 71.921 53.088 1.00 51.96 A
ATOM 698 NE ARG A 116 50.313 72.335 53.326 1.00 54.39 A
ATOM 699 CZ ARG A 116 50.681 73.563 53.679 1.00 57.24 A
ATOM 700 NHl ARG A 116 49.776 74.521 53.831 1.00 56.93 A
ATOM 701 NH2 ARG A 116 51.961 73.831 53.902 1.00 62.47 A
ATOM 702 C ARG A 116 44.518 71.608 54.973 1.00 42.64 A ATOM 703 O ARG A 116 44.066 72.686 55.366 1.00 42.99 A
ATOM 704 N GLU A 117 43.849 70.801 54.155 1.00 38.06 A
ATOM 705 CA GLU A 117 42.533 71.167 53.651 1.00 41.96 A
ATOM 706 CB GLU A 117 42.001 70.100 52.685 1.00 41.67 A
ATOM 707 CG GLU A 117 42.682 70.114 51.316 1.00 60.79 A
ATOM 708 CD GLU A 117 42.561 71.462 50.598 1.00 67.15 A
ATOM 709 OEl GLU A 117 41.415 71.924 50.383 1.00 72.19 A
ATOM 710 OE2 GLU A 117 43.611 72.056 50.249 1.00 60.67 A
ATOM 711 C GLU A 117 41.502 71.439 54.725 1.00 34.27 A
ATOM 712 O GLU A 117 40.757 72.409 54.625 1.00 44.63 A
ATOM 713 N HIS A 118 41.445 70.593 55.749 1.00 37.79 A
ATOM 714 CA HIS A 118 40.475 70.801 56.828 1.00 36.37 A
ATOM 715 CB HIS A 118 40.453 69.605 57.782 1.00 39.03 A
ATOM 716 CG HIS A 118 39.848 68.375 57.184 1.00 46.12 A
ATOM 717 CD2 HIS A 118 39.293 68.157 55.968 1.00 49.18 A
ATOM 718 NDl HIS A 118 39.779 67.174 57.856 1.00 51.86 A
ATOM 719 CEl HIS A 118 39.208 66.269 57.079 1.00 48.65 A
ATOM 720 NE2 HIS A 118 38.904 66.840 55.929 1.00 45.14 A
ATOM 721 C HIS A 118 40.766 72.075 57.594 1.00 28.47 A
ATOM 722 O HIS A 118 39.847 72.794 57.967 1.00 35.56 A
ATOM 723 N ILE A 119 42.041 72.362 57.822 1.00 31.21 A
ATOM 724 CA ILE A 119 42.413 73.589 58.528 1.00 35.88 A
ATOM 725 CB ILE A 119 43.939 73.649 58.768 1.00 34.11 A
ATOM 726 CG2 ILE A 119 44.344 75.038 59.258 1.00 39.50 A
ATOM 727 CGl ILE A 119 44.350 72.576 59.782 1.00 38.96 A
ATOM 728 CDl ILE A 119 45.852 72.520 60.034 1.00 42.39 A
ATOM 729 C ILE A 119 41.978 74.775 57.653 1.00 37.69 A
ATOM 730 O ILE A 119 41.382 75.746 58.139 1.00 31.84 A
ATOM 731 N LEU A 120 42.275 74.678 56.357 1.00 35.08 A
ATOM 732 CA LEU A 120 41.911 75.723 55.401 1.00 39.59 A
ATOM 733 CB LEU A 120 42.355 75.341 53.984 1.00 39.49 A
ATOM 734 CG LEU A 120 41.890 76.271 52.852 1.00 47.27 A
ATOM 735 CDl LEU A 120 42.383 77.691 53.098 1.00 48.22 A
ATOM 736 CD2 LEU A 120 42.418 75.754 51.521 1.00 50.83 A
ATOM 737 C LEU A 120 40.403 75.958 55.413 1.00 36.63 A
ATOM 738 O LEU A 120 39.950 77.096 55.547 1.00 36.63 A
ATOM 739 N LEU A 121 39.629 74.886 55.260 1.00 29.88 A
ATOM 740 CA LEU A 121 38.174 75.010 55.280 1.00 39.60 A
ATOM 741 CB LEU A 121 37.512 73.645 55.101 1.00 37.90 A
ATOM 742 CG LEU A 121 36.018 73.570 55.450 1.00 47.33 A
ATOM 743 CDl LEU A 121 35.191 74.454 54.514 1.00 54.46 A
ATOM 744 CD2 LEU A 121 35.560 72.130 55.337 1.00 55.76 A
ATOM 745 C LEU A 121 37.731 75.604 56.615 1.00 40.54 A
ATOM 746 O LEU A 121 36.793 76.404 56.662 1.00 40.12 A
ATOM 747 N GLY A 122 38.417 75.196 57.687 1.00 36.96 A
ATOM 748 CA GLY A 122 38.105 75.686 59.015 1.00 34.94 A
ATOM 749 C GLY A 122 38.245 77.190 59.057 1.00 31.50 A
ATOM 750 O GLY A 122 37.350 77.889 59.526 1.00 37.05 A
ATOM 751 N ARG A 123 39.369 77.689 58.557 1.00 32.26 A
ATOM 752 CA ARG A 123 39.605 79.127 58.536 1.00 33.31 A
ATOM 753 CB ARG A 123 41.016 79.431 58.025 1.00 35.11 A
ATOM 754 CG ARG A 123 41.339 80.921 57.999 1.00 42.90 A
ATOM 755 CD ARG A 123 41.340 81.505 59.404 1.00 40.92 A
ATOM 756 NE ARG A 123 41.387 82.963 59.405 1.00 47.92 A
ATOM 757 CZ ARG A 123 40.349 83.756 59.142 1.00 52.20 A
ATOM 758 NHl ARG A 123 39.157 83.238 58.852 1.00 46.18 A
ATOM 759 NH2 ARG A 123 40.503 85.077 59.170 1.00 46.13 A
ATOM 760 C ARG A 123 38.581 79.851 57.658 1.00 33.31 A
ATOM 761 O ARG A 123 38.079 80.903 58.030 1.00 38.38 A ATOM 762 N GLN A 124 38.264 79.288 56.497 1.00 33.44 A
ATOM 763 CA GLN A 124 37.314 79.922 55.587 1.00 31.20 A
ATOM 764 CB GLN A 124 37.215 79.145 54.263 1.00 31.36 A
ATOM 765 CG GLN A 124 38.545 78.980 53.548 1.00 26.69 A
ATOM 766 CD GLN A 124 38.427 78.189 52.250 1.00 44.45 A
ATOM 767 OEl GLN A 124 37.641 77.241 52.154 1.00 39.82 A
ATOM 768 NE2 GLN A 124 39.226 78.566 51.249 1.00 39.80 A
ATOM 769 C GLN A 124 35.929 80.071 56.173 1.00 37.54 A
ATOM 770 O GLN A 124 35.296 81.108 55.982 1.00 42.13 A
ATOM 771 N VAL A 125 35.445 79.049 56.877 1.00 33.57 A
ATOM 772 CA VAL A 125 34.111 79.134 57.459 1.00 33.80 A
ATOM 773 CB VAL A 125 33.484 77.727 57.664 1.00 39.71 A
ATOM 774 CGl VAL A 125 33.398 77.009 56.327 1.00 32.61 A
ATOM 775 CG2 VAL A 125 34.297 76.917 58.665 1.00 34.07 A
ATOM 776 C VAL A 125 34.108 79.887 58.787 1.00 31.81 A
ATOM 111 O VAL A 125 33.043 80.222 59.313 1.00 34.37 A
ATOM 778 N GLY A 126 35.299 80.148 59.318 1.00 31.62 A
ATOM 779 CA GLY A 126 35.423 80.871 60.574 1.00 32.27 A
ATOM 780 C GLY A 126 35.372 80.078 61.878 1.00 36.67 A
ATOM 781 O GLY A 126 34.924 80.617 62.882 1.00 38.99 A
ATOM 782 N VAL A 127 35.799 78.816 61.885 1.00 35.95 A
ATOM 783 CA VAL A 127 35.794 78.054 63.134 1.00 37.91 A
ATOM 784 CB VAL A 127 36.439 76.650 62.950 1.00 36.96 A
ATOM 785 CGl VAL A 127 36.503 75.915 64.279 1.00 35.34 A
ATOM 786 CG2 VAL A 127 35.636 75.838 61.969 1.00 30.99 A
ATOM 787 C VAL A 127 36.660 78.905 64.071 1.00 38.37 A
ATOM 788 O VAL A 127 37.836 79.123 63.801 1.00 40.57 A
ATOM 789 N PRO A 128 36.086 79.401 65.180 1.00 35.78 A
ATOM 790 CD PRO A 128 34.676 79.265 65.588 1.00 28.69 A
ATOM 791 CA PRO A 128 36.839 80.238 66.125 1.00 33.86 A
ATOM 792 CB PRO A 128 35.745 80.774 67.057 1.00 32.19 A
ATOM 793 CG PRO A 128 34.710 79.692 67.035 1.00 38.15 A
ATOM 794 C PRO A 128 38.020 79.631 66.892 1.00 34.50 A
ATOM 795 O PRO A 128 38.990 80.334 67.207 1.00 31.54 A
ATOM 796 N TYR A 129 37.960 78.340 67.198 1.00 33.17 A
ATOM 797 CA TYR A 129 39.049 77.711 67.952 1.00 26.65 A
ATOM 798 CB TYR A 129 38.693 77.649 69.450 1.00 26.68 A
ATOM 799 CG TYR A 129 38.416 79.007 70.063 1.00 33.74 A
ATOM 800 CDl TYR A 129 37.119 79.530 70.103 1.00 36.31 A
ATOM 801 CEl TYR A 129 36.867 80.800 70.637 1.00 31.19 A
ATOM 802 CD2 TYR A 129 39.457 79.788 70.572 1.00 28.42 A
ATOM 803 CE2 TYR A 129 39.212 81.055 71.104 1.00 26.49 A
ATOM 804 CZ TYR A 129 37.923 81.553 71.135 1.00 33.83 A
ATOM 805 OH TYR A 129 37.698 82.802 71.672 1.00 38.40 A
ATOM 806 C TYR A 129 39.397 76.310 67.473 1.00 31.16 A
ATOM 807 O TYR A 129 38.534 75.542 67.029 1.00 31.96 A
ATOM 808 N ILE A 130 40.677 75.977 67.567 1.00 29.43 A
ATOM 809 CA ILE A 130 41.125 74.659 67.170 1.00 28.47 A
ATOM 810 CB ILE A 130 41.858 74.679 65.815 1.00 34.05 A
ATOM 811 CG2 ILE A 130 42.511 73.326 65.557 1.00 30.10 A
ATOM 812 CGl ILE A 130 40.877 75.009 64.697 1.00 35.72 A
ATOM 813 CDl ILE A 130 41.507 74.996 63.316 1.00 37.07 A
ATOM 814 C ILE A 130 42.065 74.097 68.217 1.00 33.29 A
ATOM 815 O ILE A 130 43.024 74.754 68.630 1.00 32.57 A
ATOM 816 N ILE A 131 41.767 72.876 68.649 1.00 34.77 A
ATOM 817 CA ILE A 131 42.576 72.181 69.630 1.00 32.34 A
ATOM 818 CB ILE A 131 41.717 71.712 70.830 1.00 37.33 A
ATOM 819 CG2 ILE A 131 42.556 70.875 71.779 1.00 32.69 A
ATOM 820 CGl ILE A 131 41.146 72.929 71.568 1.00 40.38 A ATOM 821 CDl ILE A 131 40.155 72.569 72.670 1.00 44.54 A
ATOM 822 C ILE A 131 43.143 70.976 68.906 1.00 29.65 A
ATOM 823 O ILE A 131 42.442 70.336 68.125 1.00 32.93 A
ATOM 824 N VAL A 132 44.405 70.663 69.164 1.00 29.32 A
ATOM 825 CA VAL A 132 45.040 69.537 68.508 1.00 30.24 A
ATOM 826 CB VAL A 132 46.426 69.917 67.961 1.00 27.91 A
ATOM 827 CGl VAL A 132 47.032 68.719 67.255 1.00 25.77 A
ATOM 828 CG2 VAL A 132 46.317 71.088 67.022 1.00 26.00 A
ATOM 829 C VAL A 132 45.245 68.305 69.376 1.00 31.31 A
ATOM 830 O VAL A 132 45.690 68.403 70.520 1.00 33.30 A
ATOM 831 N PHE A 133 44.915 67.145 68.823 1.00 26.16 A
ATOM 832 CA PHE A 133 45.149 65.895 69.525 1.00 29.14 A
ATOM 833 CB PHE A 133 43.866 65.076 69.644 1.00 30.91 A
ATOM 834 CG PHE A 133 43.998 63.884 70.545 1.00 32.30 A
ATOM 835 CDl PHE A 133 44.289 62.623 70.024 1.00 30.43 A
ATOM 836 CD2 PHE A 133 43.855 64.024 71.925 1.00 33.90 A
ATOM 837 CEl PHE A 133 44.433 61.514 70.865 1.00 29.79 A
ATOM 838 CE2 PHE A 133 43.999 62.914 72.781 1.00 33.57 A
ATOM 839 CZ PHE A 133 44.289 61.655 72.240 1.00 32.19 A
ATOM 840 C PHE A 133 46.188 65.123 68.710 1.00 29.78 A
ATOM 841 O PHE A 133 45.872 64.574 67.660 1.00 30.31 A
ATOM 842 N LEU A 134 47.436 65.123 69.167 1.00 31.89 A
ATOM 843 CA LEU A 134 48.507 64.399 68.475 1.00 32.75 A
ATOM 844 CB LEU A 134 49.875 64.846 69.005 1.00 34.56 A
ATOM 845 CG LEU A 134 51.125 64.471 68.195 1.00 38.36 A
ATOM 846 CDl LEU A 134 51.058 65.081 66.802 1.00 32.82 A
ATOM 847 CD2 LEU A 134 52.360 64.974 68.915 1.00 33.26 A
ATOM 848 C LEU A 134 48.242 62.940 68.830 1.00 35.52 A
ATOM 849 O LEU A 134 48.537 62.488 69.939 1.00 38.77 A
ATOM 850 N ASN A 135 47.666 62.221 67.877 1.00 37.61 A
ATOM 851 CA ASN A 135 47.267 60.827 68.044 1.00 35.32 A
ATOM 852 CB ASN A 135 46.042 60.584 67.164 1.00 26.44 A
ATOM 853 CG ASN A 135 45.320 59.309 67.502 1.00 33.52 A
ATOM 854 ODl ASN A 135 44.629 58.741 66.654 1.00 39.77 A
ATOM 855 ND2 ASN A 135 45.451 58.856 68.744 1.00 30.97 A
ATOM 856 C ASN A 135 48.342 59.774 67.735 1.00 35.44 A
ATOM 857 O ASN A 135 49.401 60.083 67.195 1.00 39.31 A
ATOM 858 N LYS A 136 48.049 58.528 68.104 1.00 36.19 A
ATOM 859 CA LYS A 136 48.936 57.389 67.868 1.00 41.35 A
ATOM 860 CB LYS A 136 49.085 57.143 66.359 1.00 38.45 A
ATOM 861 CG LYS A 136 47.748 56.990 65.651 1.00 40.91 A
ATOM 862 CD LYS A 136 47.892 56.442 64.251 1.00 39.97 A
ATOM 863 CE LYS A 136 46.529 56.296 63.587 1.00 40.24 A
ATOM 864 NZ LYS A 136 46.673 55.757 62.205 1.00 42.95 A
ATOM 865 C LYS A 136 50.317 57.487 68.501 1.00 41.11 A
ATOM 866 O LYS A 136 51.273 56.903 67.995 1.00 46.81 A
ATOM 867 N CYS A 137 50.427 58.213 69.608 1.00 42.79 A
ATOM 868 CA CYS A 137 51.713 58.350 70.289 1.00 41.01 A
ATOM 869 CB CYS A 137 51.655 59.489 71.305 1.00 36.12 A
ATOM 870 SG CYS A 137 51.438 61.092 70.523 1.00 41.24 A
ATOM 871 C CYS A 137 52.120 57.046 70.972 1.00 41.52 A
ATOM 872 O CYS A 137 53.218 56.937 71.506 1.00 44.49 A
ATOM 873 N ASP A 138 51.222 56.065 70.960 1.00 38.80 A
ATOM 874 CA ASP A 138 51.505 54.751 71.533 1.00 45.01 A
ATOM 875 CB ASP A 138 50.228 53.912 71.625 1.00 43.64 A
ATOM 876 CG ASP A 138 49.517 53.777 70.280 1.00 51.31 A
ATOM 877 ODl ASP A 138 48.996 54.797 69.780 1.00 42.33 A
ATOM 878 OD2 ASP A 138 49.486 52.657 69.721 1.00 53.67 A
ATOM 879 C ASP A 138 52.477 54.050 70.588 1.00 53.08 A ATOM 880 O ASP A 138 53.160 53.098 70.972 1.00 50.77 A
ATOM 881 N MET A 139 52.519 54.534 69.348 1.00 53.70 A
ATOM 882 CA MET A 139 53.381 53.979 68.315 1.00 57.94 A
ATOM 883 CB MET A 139 52.656 54.028 66.971 1.00 61.98 A
ATOM 884 CG MET A 139 52.653 52.717 66.226 1.00 70.04 A
ATOM 885 SD MET A 139 51.542 51.531 66.977 1.00 73.23 A
ATOM 886 CE MET A 139 50.498 51.101 65.571 1.00 75.97 A
ATOM 887 C MET A 139 54.718 54.717 68.190 1.00 57.18 A
ATOM 888 O MET A 139 55.583 54.301 67.422 1.00 58.50 A
ATOM 889 N VAL A 140 54.882 55.804 68.942 1.00 57.34 A
ATOM 890 CA VAL A 140 56.105 56.606 68.892 1.00 61.40 A
ATOM 891 CB VAL A 140 55.815 58.019 68.335 1.00 59.51 A
ATOM 892 CGl VAL A 140 57.073 58.867 68.375 1.00 56.24 A
ATOM 893 CG2 VAL A 140 55.287 57.913 66.909 1.00 62.89 A
ATOM 894 C VAL A 140 56.772 56.765 70.253 1.00 65.65 A
ATOM 895 O VAL A 140 56.141 57.206 71.211 1.00 66.02 A
ATOM 896 N ASP A 141 58.058 56.428 70.331 1.00 73.65 A
ATOM 897 CA ASP A 141 58.790 56.532 71.593 1.00 83.74 A
ATOM 898 CB ASP A 141 59.511 55.215 71.912 1.00 87.70 A
ATOM 899 CG ASP A 141 59.737 55.024 73.407 1.00 93.56 A
ATOM 900 ODl ASP A 141 60.080 56.007 74.090 1.00 98.18 A
ATOM 901 OD2 ASP A 141 59.582 53.895 73.915 1.00 97.07 A
ATOM 902 C ASP A 141 59.816 57.665 71.583 1.00 85.06 A
ATOM 903 O ASP A 141 60.400 57.991 72.615 1.00 89.16 A
ATOM 904 N ASP A 142 60.036 58.275 70.426 1.00 83.65 A
ATOM 905 CA ASP A 142 61.021 59.340 70.344 1.00 79.95 A
ATOM 906 CB ASP A 142 61.617 59.373 68.938 1.00 81.47 A
ATOM 907 CG ASP A 142 62.917 60.141 68.879 1.00 83.05 A
ATOM 908 ODl ASP A 142 63.748 59.979 69.803 1.00 77.14 A
ATOM 909 OD2 ASP A 142 63.112 60.896 67.903 1.00 85.14 A
ATOM 910 C ASP A 142 60.461 60.705 70.724 1.00 76.48 A
ATOM 911 O ASP A 142 59.639 61.274 70.009 1.00 76.77 A
ATOM 912 N GLU A 143 60.918 61.230 71.857 1.00 76.40 A
ATOM 913 CA GLU A 143 60.458 62.527 72.337 1.00 77.51 A
ATOM 914 CB GLU A 143 61.051 62.833 73.715 1.00 80.35 A
ATOM 915 CG GLU A 143 60.092 63.530 74.675 1.00 86.99 A
ATOM 916 CD GLU A 143 58.946 62.630 75.094 1.00 90.33 A
ATOM 917 OEl GLU A 143 59.215 61.502 75.560 1.00 89.22 A
ATOM 918 OE2 GLU A 143 57.777 63.051 74.958 1.00 95.20 A
ATOM 919 C GLU A 143 60.872 63.606 71.354 1.00 74.78 A
ATOM 920 O GLU A 143 60.214 64.636 71.247 1.00 76.11 A
ATOM 921 N GLU A 144 61.966 63.366 70.639 1.00 72.11 A
ATOM 922 CA GLU A 144 62.451 64.328 69.655 1.00 72.28 A
ATOM 923 CB GLU A 144 63.880 63.996 69.231 1.00 79.78 A
ATOM 924 CG GLU A 144 64.937 64.333 70.266 1.00 90.74 A
ATOM 925 CD GLU A 144 66.341 63.994 69.794 1.00 97.80 A
ATOM 926 OEl GLU A 144 67.306 64.343 70.505 1.00102.14 A
ATOM 927 OE2 GLU A 144 66.483 63.375 68.716 1.00102.29 A
ATOM 928 C GLU A 144 61.550 64.325 68.432 1.00 67.82 A
ATOM 929 O GLU A 144 61.311 65.368 67.827 1.00 67.81 A
ATOM 930 N LEU A 145 61.058 63.145 68.069 1.00 65.50 A
ATOM 931 CA LEU A 145 60.171 63.007 66.920 1.00 63.33 A
ATOM 932 CB LEU A 145 59.856 61.531 66.666 1.00 67.78 A
ATOM 933 CG LEU A 145 58.965 61.229 65.456 1.00 79.43 A
ATOM 934 CDl LEU A 145 59.650 61.710 64.185 1.00 86.08 A
ATOM 935 CD2 LEU A 145 58.686 59.731 65.373 1.00 81.89 A
ATOM 936 C LEU A 145 58.876 63.761 67.196 1.00 59.66 A
ATOM 937 O LEU A 145 58.372 64.494 66.344 1.00 62.07 A
ATOM 938 N LEU A 146 58.343 63.577 68.399 1.00 53.47 A ATOM 939 CA LEU A 146 57.112 64.238 68.788 1.00 49.15 A
ATOM 940 CB LEU A 146 56.659 63.744 70.167 1.00 49.89 A
ATOM 941 CG LEU A 146 56.361 62.237 70.257 1.00 50.59 A
ATOM 942 CDl LEU A 146 56.004 61.844 71.691 1.00 51.34 A
ATOM 943 CD2 LEU A 146 55.225 61.884 69.322 1.00 34.54 A
ATOM 944 C LEU A 146 57.275 65.754 68.788 1.00 46.47 A
ATOM 945 O LEU A 146 56.421 66.459 68.260 1.00 47.79 A
ATOM 946 N GLU A 147 58.366 66.257 69.365 1.00 44.39 A
ATOM 947 CA GLU A 147 58.591 67.700 69.403 1.00 49.77 A
ATOM 948 CB GLU A 147 59.923 68.037 70.080 1.00 61.20 A
ATOM 949 CG GLU A 147 59.960 67.829 71.585 1.00 77.65 A
ATOM 950 CD GLU A 147 61.215 68.418 72.222 1.00 86.09 A
ATOM 951 OEl GLU A 147 62.326 68.133 71.721 1.00 88.85 A
ATOM 952 OE2 GLU A 147 61.089 69.161 73.222 1.00 88.99 A
ATOM 953 C GLU A 147 58.596 68.282 67.993 1.00 48.98 A
ATOM 954 O GLU A 147 58.012 69.332 67.743 1.00 44.69 A
ATOM 955 N LEU A 148 59.264 67.593 67.077 1.00 46.52 A
ATOM 956 CA LEU A 148 59.350 68.050 65.697 1.00 53.11 A
ATOM 957 CB LEU A 148 60.265 67.111 64.903 1.00 59.86 A
ATOM 958 CG LEU A 148 60.803 67.568 63.541 1.00 68.97 A
ATOM 959 CDl LEU A 148 61.950 66.653 63.140 1.00 71.58 A
ATOM 960 CD2 LEU A 148 59.708 67.556 62.480 1.00 68.26 A
ATOM 961 C LEU A 148 57.964 68.116 65.048 1.00 51.28 A
ATOM 962 O LEU A 148 57.613 69.124 64.426 1.00 48.75 A
ATOM 963 N VAL A 149 57.180 67.047 65.197 1.00 42.44 A
ATOM 964 CA VAL A 149 55.844 67.000 64.619 1.00 47.48 A
ATOM 965 CB VAL A 149 55.180 65.636 64.852 1.00 52.54 A
ATOM 966 CGl VAL A 149 53.797 65.613 64.216 1.00 51.06 A
ATOM 967 CG2 VAL A 149 56.045 64.543 64.254 1.00 63.23 A
ATOM 968 C VAL A 149 54.932 68.089 65.174 1.00 47.96 A
ATOM 969 O VAL A 149 54.187 68.717 64.419 1.00 49.01 A
ATOM 970 N GLU A 150 54.980 68 310 66.486 1.00 43.42 A
ATOM 971 CA GLU A 150 54.160 69.353 67.099 1.00 43.19 A
ATOM 972 CB GLU A 150 54.401 69.432 68.610 1.00 42.17 A
ATOM 973 CG GLU A 150 53.868 68.253 69.395 1.00 51.95 A
ATOM 974 CD GLU A 150 53.923 68.484 70.896 1.00 60.91 A
ATOM 975 OEl GLU A 150 53.464 67.600 71.648 1.00 60.71 A
ATOM 976 OE2 GLU A 150 54.419 69.550 71.321 1.00 57.78 A
ATOM 977 C GLU A 150 54.544 70.679 66.471 1.00 41.39 A
ATOM 978 O GLU A 150 53.690 71.464 66.058 1.00 45.95 A
ATOM 979 N MET A 151 55.849 70.910 66.396 1.00 45.83 A
ATOM 980 CA MET A 151 56.396 72.130 65.837 1.00 50.49 A
ATOM 981 CB MET A 151 57.916 72.016 65.749 1.00 59.12 A
ATOM 982 CG MET A 151 58.642 73.335 65.584 1.00 73.68 A
ATOM 983 SD MET A 151 60.428 73.078 65.460 1.00 88.63 A
ATOM 984 CE MET A 151 60.822 72.635 67.169 1.00 83.41 A
ATOM 985 C MET A 151 55.812 72.407 64.457 1.00 52.49 A
ATOM 986 O MET A 151 55.353 73.520 64.185 1.00 51.50 A
ATOM 987 N GLU A 152 55.807 71.401 63.588 1.00 48.33 A
ATOM 988 CA GLU A 152 55.275 71.635 62.261 1.00 53.97 A
ATOM 989 CB GLU A 152 55.796 70.597 61.260 1.00 57.23 A
ATOM 990 CG GLU A 152 55.194 69.224 61.322 1.00 67.07 A
ATOM 991 CD GLU A 152 55.716 68.339 60.194 1.00 76.47 A
ATOM 992 OEl GLU A 152 55.475 68.665 59.006 1.00 77.97 A
ATOM 993 OE2 GLU A 152 56.374 67.320 60.493 1.00 78.39 A
ATOM 994 C GLU A 152 53.755 71.728 62.228 1.00 50.85 A
ATOM 995 O GLU A 152 53.193 72.270 61.275 1.00 44.33 A
ATOM 996 N VAL A 153 53.086 71.224 63.264 1.00 44.83 A
ATOM. 997 CA VAL A 153 51.632 71.345 63.309 1.00 42.13 A ATOM 998 CB VAL A 153 51.000 70.412 64.362 1.00 42.93 A
ATOM 999 CGl VAL A 153 49.558 70.827 64.637 1.00 40.40 A
ATOM 1000 CG2 VAL A 153 51.022 68.986 63.854 1.00 43.50 A
ATOM 1001 C VAL A 153 51.318 72.797 63.660 1.00 40.27 A
ATOM 1002 O VAL A 153 50.383 73.382 63.120 1.00 43.75 A
ATOM 1003 N ARG A 154 52.116 73.371 64.559 1.00 38.00 A
ATOM 1004 CA ARG A 154 51.931 74.753 64.971 1.00 41.44 A
ATOM 1005 CB ARG A 154 52.862 75.097 66.145 1.00 40.45 A
ATOM 1006 CG ARG A 154 52.493 74.408 67.466 1.00 40.12 A
ATOM 1007 CD ARG A 154 53.328 74.943 68.633 1.00 39.43 A
ATOM 1008 NE ARG A 154 53.133 74.171 69.858 1.00 40.67 A
ATOM 1009 CZ ARG A 154 52.017 74.158 70.584 1.00 43.17 A
ATOM 1010 NHl ARG A 154 51.948 73.410 71.680 1.00 42.90 A
ATOM 1011 NH2 ARG A 154 50.978 74.898 70.229 1.00 46.68 A
ATOM 1012 C ARG A 154 52.181 75.699 63.794 1.00 41.49 A
ATOM 1013 O ARG A 154 51.439 76.664 63.594 1.00 41.01 A
ATOM 1014 N GLU A 155 53.209 75.415 62.999 1.00 47.42 A
ATOM 1015 CA GLU A 155 53.519 76.264 61.846 1.00 51.25 A
ATOM 1016 CB GLU A 155 54.877 75.883 61.250 1.00 60.57 A
ATOM 1017 CG GLU A 155 56.025 76.004 62.248 1.00 78.42 A
ATOM 1018 CD GLU A 155 57.380 75.697 61.633 1.00 88.51 A
ATOM 1019 OEl GLU A 155 57.520 74.621 61.008 1.00 91.95 A
ATOM 1020 OE2 GLU A 155 58.306 76.529 61.780 1.00 91.19 A
ATOM 1021 C GLU A 155 52.427 76.151 60.786 1.00 46.74 A
ATOM 1022 O GLU A 155 52.071 77.136 60.124 1.00 46.50 A
ATOM 1023 N LEU A 156 51.885 74.948 60.633 1.00 42.10 A
ATOM 1024 CA LEU A 156 50.819 74.732 59.666 1.00 36.92 A
ATOM 1025 CB LEU A 156 50.458 73.252 59.583 1.00 34.19 A
ATOM 1026 CG LEU A 156 49.448 72.888 58.486 1.00 36.74 A
ATOM 1027 CDl LEU A 156 49.987 73.352 57.133 1.00 40.83 A
ATOM 1028 CD2 LEU A 156 49.206 71.379 58.460 1.00 33.20 A
ATOM 1029 C LEU A 156 49.601 75.542 60.091 1.00 40.10 A
ATOM 1030 O LEU A 156 48.948 76.178 59.264 1.00 40.69 A
ATOM 1031 N LEU A 157 49.302 75.524 61.386 1.00 35.75 A
ATOM 1032 CA LEU A 157 48.174 76.280 61.903 1.00 36.13 A
ATOM 1033 CB LEU A 157 47.952 75.980 63.396 1.00 27.50 A
ATOM 1034 CG LEU A 157 47.218 74.679 63.737 1.00 30.13 A
ATOM 1035 CDl LEU A 157 47.232 74.415 65.241 1.00 23.17 A
ATOM 1036 CD2 LEU A 157 45.790 74.775 63.236 1.00 33.30 A
ATOM 1037 C LEU A 157 48.407 11.113 61.707 1.00 33.83 A
ATOM 1038 O LEU A 157 47.505 78.490 61.300 1.00 34.31 A
ATOM 1039 N SER A 158 49.618 78.239 61.996 1.00 38.43 A
ATOM 1040 CA SER A 158 49.925 79.662 61.857 1.00 42.14 A
ATOM 1041 CB SER A 158 51.326 79.961 62.399 1.00 33.63 A
ATOM 1042 OG SER A 158 51.371 79.843 63.814 1.00 40.20 A
ATOM 1043 C SER A 158 49.811 80.112 60.399 1.00 42.92 A
ATOM 1044 O SER A 158 49.368 81.226 60.097 1.00 37.60 A
ATOM 1045 N GLN A 159 50.200 79.235 59.486 1.00 46.32 A
ATOM 1046 CA GLN A 159 50.116 79.577 58.080 1.00 46.32 A
ATOM 1047 CB GLN A 159 50.780 78.503 57.239 1.00 55.76 A
ATOM 1048 CG GLN A 159 50.568 78.697 55.758 1.00 67.72 A
ATOM 1049 CD GLN A 159 51.777 78.306 54.958 1.00 74.81 A
ATOM 1050 OEl GLN A 159 52.444 77.314 55.263 1.00 79.28 A
ATOM 1051 NE2 GLN A 159 52.068 79.075 53.915 1.00 72.91 A
ATOM 1052 C GLN A 159 48.679 79.786 57.614 1.00 46.41 A
ATOM 1053 O GLN A 159 48.441 80.391 56.568 1.00 43.99 A
ATOM 1054 N TYR A 160 47.720 79.294 58.387 1.00 45.45 A
ATOM 1055 CA TYR A 160 46 : 317 79.456 58.023 1.00 43.82 A
ATOM 1056 CB TYR A 160 45.612 78.103 58.030 1.00 44.87 A ATOM 1057 CG TYR A 160 45.998 77.282 56.828 1.00 48.72 A
ATOM 1058 CDl TYR A 160 45.306 77.412 55.624 1.00 46.59 A
ATOM 1059 CEl TYR A 160 45.717 76.741 54.483 1.00 48.06 A
ATOM 1060 CD2 TYR A 160 47.114 76.451 56.861 1.00 48.50 A
ATOM 1061 CE2 TYR A 160 47.541 75.775 55.721 1.00 50.23 A
ATOM 1062 CZ TYR A 160 46.838 75.926 54.533 1.00 51.94 A
ATOM 1063 OH TYR A 160 47.262 75.275 53.393 1.00 50.59 A
ATOM 1064 C TYR A 160 45.630 80.448 58.938 1.00 44.06 A
ATOM 1065 O TYR A 160 44.399 80.491 59.041 1.00 39.88 A
ATOM 1066 N ASP A 161 46.454 81.252 59.602 1.00 43.16 A
ATOM 1067 CA ASP A 161 45.957 82.297 60.472 1.00 43.24 A
ATOM 1068 CB ASP A 161 45.045 83.210 59.639 1.00 36.79 A
ATOM 1069 CG ASP A 161 44.721 84.501 60.335 1.00 47.07 A
ATOM 1070 ODl ASP A 161 45.646 85.099 60.937 1.00 40.75 A
ATOM 1071 OD2 ASP A 161 43.541 84.914 60.271 1.00 49.44 A
ATOM 1072 C ASP A 161 45.272 81.819 61.770 1.00 41.45 A
ATOM 1073 O ASP A 161 44.299 82.416 62.241 1.00 44.58 A
ATOM 1074 N PHE A 162 45.781 80.731 62.339 1.00 34.21 A
ATOM 1075 CA PHE A 162 45.272 80.241 63.616 1.00 39.20 A
ATOM 1076 CB PHE A 162 44.894 78.751 63.549 1.00 34.07 A
ATOM 1077 CG PHE A 162 43.500 78.504 63.025 1.00 36.34 A
ATOM 1078 CDl PHE A 162 42.381 78.802 63.806 1.00 31.45 A
ATOM 1079 CD2 PHE A 162 43.304 78.008 61.731 1.00 31.74 A
ATOM 1080 CEl PHE A 162 41.077 78.612 63.307 1.00 28.23 A
ATOM 1081 CE2 PHE A 162 42.015 77.814 61.226 1.00 27.32 A
ATOM 1082 CZ PHE A 162 40.896 78.119 62.020 1.00 28.73 A
ATOM 1083 C PHE A 162 46.417 80.463 64.601 1.00 36.29 A
ATOM 1084 O PHE A 162 47.584 80.517 64.196 1.00 35.28 A
ATOM 1085 N PRO A 163 46.102 80.604 65.899 1.00 34.62 A
ATOM 1086 CD PRO A 163 44.741 80.547 66.459 1.00 24.36 A
ATOM 1087 CA PRO A 163 47.102 80.826 66.957 1.00 32.79 A
ATOM 1088 CB PRO A 163 46.255 81.061 68.209 1.00 35.54 A
ATOM 1089 CG PRO A 163 44.882 81.389 67.698 1.00 39.26 A
ATOM 1090 C PRO A 163 48.024 79.625 67.153 1.00 35.65 A
ATOM 1091 O PRO A 163 48.000 79.000 68.206 1.00 39.56 A
ATOM 1092 N GLY A 164 48.835 79.307 66.150 1.00 36.70 A
ATOM 1093 CA GLY A 164 49.738 78.171 66.255 1.00 36.03 A
ATOM 1094 C GLY A 164 50.518 78.040 67.555 1.00 37.59 A
ATOM 1095 O GLY A 164 50.633 76.949 68.105 1.00 38.85 A
ATOM 1096 N ASP A 165 51.049 79.142 68.066 1.00 44.26 A
ATOM 1097 CA ASP A 165 51.824 79.084 69.299 1.00 44.17 A
ATOM 1098 CB ASP A 165 52.716 80.319 69.414 1.00 55.24 A
ATOM 1099 CG ASP A 165 53.659 80.464 68.237 1.00 60.49 A
ATOM 1100 ODl ASP A 165 54.373 79.490 67.914 1.00 63.40 A
ATOM 1101 OD2 ASP A 165 53.690 81.553 67.633 1.00 73.41 A
ATOM 1102 C ASP A 165 50.995 78.931 70.569 1.00 42.73 A
ATOM 1103 O ASP A 165 51.483 78.392 71.558 1.00 51.00 A
ATOM 1104 N ASP A 166 49.745 79.384 70.549 1.00 41.76 A
ATOM 1105 CA ASP A 166 48.895 79.283 71.733 1.00 43.68 A
ATOM 1106 CB ASP A 166 48.045 80.553 71.886 1.00 56.28 A
ATOM 1107 CG ASP A 166 48.888 81.818 71.947 1.00 65.63 A
ATOM 1108 ODl ASP A 166 49.831 81.860 72.768 1.00 64.88 A
ATOM 1109 OD2 ASP A 166 48.603 82.768 71.179 1.00 68.33 A
ATOM 1110 C ASP A 166 47.974 78.067 71.680 1.00 42.38 A
ATOM 1111 O ASP A 166 47.176 77.845 72.596 1.00 43.19 A
ATOM 1112 N THR A 167 48.100 77.276 70.617 1.00 37.87 A
ATOM 1113 CA THR A 167 47.255 76.110 70.422 1.00 32.38 A
ATOM 1114 CB THR A 167 47.361 75.575 68.980 1.00 38.48 A
ATOM 1115 OGl THR A 167 46.871 76.561 68.067 1.00 36.40 A ATOM 1116 CG2 THR A 167 46.536 74.308 68.816 1.00 34.38 A
ATOM 1117 C THR A 167 47.562 74.967 71.363 1.00 32.52 A
ATOM 1118 O THR A 167 48.692 74.500 71.432 1.00 33.41 A
ATOM 1119 N PRO A 168 46.552 74.506 72.115 1.00 36.47 A
ATOM 1120 CD PRO A 168 45.213 75.062 72.392 1.00 38.13 A
ATOM 1121 CA PRO A 168 46.863 73.398 73.013 1.00 37.71 A
ATOM 1122 CB PRO A 168 45.660 73.366 73.970 1.00 33.66 A
ATOM 1123 CG PRO A 168 44.550 73.938 73.169 1.00 41.45 A
ATOM 1124 C PRO A 168 47.037 72.119 72.206 1.00 38.52 A
ATOM 1125 O PRO A 168 46.250 71.833 71.301 1.00 34.44 A
ATOM 1126 N ILE A 169 48.099 71.376 72.511 1.00 35.89 A
ATOM 1127 CA ILE A 169 48.363 70.116 71.833 1.00 35.69 A
ATOM 1128 CB ILE A 169 49.661 70.174 71.013 1.00 34.01 A
ATOM 1129 CG2 ILE A 169 49.898 68.839 70.331 1.00 35.00 A
ATOM 1130 CGl ILE A 169 49.571 71.292 69.976 1.00 33.48 A
ATOM 1131 CDl ILE A 169 50.805 71.396 69.099 1.00 32.17 A
ATOM 1132 C ILE A 169 48.479 68.992 72.858 1.00 36.98 A
ATOM 1133 O ILE A 169 49.325 69.026 73.752 1.00 38.68 A
ATOM 1134 N VAL A 170 47.621 67.993 72.719 1.00 35.78 A
ATOM 1135 CA VAL A 170 47.611 66.861 73.623 1.00 30.68 A
ATOM 1136 CB VAL A 170 46.174 66.489 74.008 1.00 34.12 A
ATOM 1137 CGl VAL A 170 46.170 65.235 74.913 1.00 35.03 A
ATOM 1138 CG2 VAL A 170 45.509 67.672 74.684 1.00 36.61 A
ATOM 1139 C VAL A 170 48.230 65.659 72.953 1.00 36.49 A
ATOM 1140 O VAL A 170 47.819 65.294 71.851 1.00 33.79 A
ATOM 1141 N ARG A 171 49.209 65.042 73.615 1.00 39.04 A
ATOM 1142 CA ARG A 171 49.862 63.849 73.074 1.00 38.60 A
ATOM 1143 CB ARG A 171 51.325 63.770 73.515 1.00 42.67 A
ATOM 1144 CG ARG A 171 52.213 64.839 72.936 1.00 43.62 A
ATOM 1145 CD ARG A 171 53.626 64.688 73.458 1.00 40.59 A
ATOM 1146 NE ARG A 171 54.509 65.693 72.877 1.00 47.69 A
ATOM 1147 CZ ARG A 171 55.798 65.816 73.172 1.00 52.47 A
ATOM 1148 NHl ARG A 171 56.522 66.765 72.588 1.00 49.97 A
ATOM 1149 NH2 ARG A 171 56.361 64.990 74.046 1.00 47.60 A
ATOM 1150 C ARG A 171 49.131 62.643 73.616 1.00 35.30 A
ATOM 1151 O ARG A 171 49.193 62.367 74.810 1.00 40.48 A
ATOM 1152 N GLY A 172 48.431 61.918 72.755 1.00 33.35 A
ATOM 1153 CA GLY A 172 47.718 60.760 73.256 1.00 33.17 A
ATOM 1154 C GLY A 172 47.615 59.583 72.312 1.00 36.86 A
ATOM 1155 O GLY A 172 48.271 59.525 71.262 1.00 30.41 A
ATOM 1156 N SER A 173 46.791 58.625 72.717 1.00 31.16 A
ATOM 1157 CA SER A 173 46.539 57.434 71.924 1.00 32.40 A
ATOM 1158 CB SER A 173 47.334 56.244 72.468 1.00 36.82 A
ATOM 1159 OG SER A 173 46.872 55.026 71.905 1.00 38.33 A
ATOM 1160 C SER A 173 45.051 57.168 72.054 1.00 31.75 A
ATOM 1161 O SER A 173 44.586 56.720 73.099 1.00 33.58 A
ATOM 1162 N ALA A 174 44.296 57.465 71.005 1.00 32.83 A
ATOM 1163 CA ALA A 174 42.856 57.246 71.050 1.00 34.74 A
ATOM 1164 CB ALA A 174 42.194 57.772 69.766 1.00 27.07 A
ATOM 1165 C ALA A 174 42.541 55.765 71.242 1.00 37.59 A
ATOM 1166 O ALA A 174 41.631 55.415 71.996 1.00 35.39 A
ATOM 1167 N LEU A 175 43.302 54.897 70.574 1.00 37.04 A
ATOM 1168 CA LEU A 175 43.069 53.455 70.671 1.00 35.44 A
ATOM 1169 CB LEU A 175 43.883 52.707 69.599 1.00 29.33 A
ATOM 1170 CG LEU A 175 43.664 51.188 69.484 1.00 33.93 A
ATOM 1171 CDl LEU A 175 42.213 50.894 69.095 1.00 30.26 A
ATOM 1172 CD2 LEU A 175 44.627 50.594 68.449 1.00 31.64 A
ATOM 1173 C LEU A 175 43.369 52.876 72.063 1.00 33.35 A
ATOM 1174 O LEU A 175 42.535 52.179 72.652 1.00 29.81 A ATOM 1175 N LYS A 176 44.543 53.158 72.610 1.00 35.39 A
ATOM 1176 CA LYS A 176 44.843 52.604 73.924 1.00 39.94 A
ATOM 1177 CB LYS A 176 46.272 52.948 74.342 1.00 41.75 A
ATOM 1178 CG LYS A 176 47.331 52.411 73.367 1.00 54.05 A
ATOM 1179 CD LYS A 176 48.281 51.397 73.994 1.00 55.82 A
ATOM 1180 CE LYS A 176 47.579 50.084 74.305 1.00 67.44 A
ATOM 1181 NZ LYS A 176 48.519 49.059 74.841 1.00 66.59 A
ATOM 1182 C LYS A 176 43.833 53.100 74.954 1.00 43.32 A
ATOM 1183 O LYS A 176 43.400 52.340 75.824 1.00 46.87 A
ATOM 1184 N ALA A 177 43.433 54.364 74.838 1.00 42.60 A
ATOM 1185 CA ALA A 177 42.458 54.951 75.760 1.00 39.72 A
ATOM 1186 CB ALA A 177 42.310 56.444 75.487 1.00 34.33 A
ATOM 1187 C ALA A 177 41.096 54.266 75.640 1.00 39.04 A
ATOM 1188 O ALA A 177 40.433 53.993 76.641 1.00 41.06 A
ATOM 1189 N LEU A 178 40.673 54.008 74.409 1.00 39.83 A
ATOM 1190 CA LEU A 178 39.401 53.337 74.157 1.00 39.96 A
ATOM 1191 CB LEU A 178 39.158 53.229 72.655 1.00 38.48 A
ATOM 1192 CG LEU A 178 37.764 53.383 72.037 1.00 40.82 A
ATOM 1193 CDl LEU A 178 37.767 52.602 70.731 1.00 43.74 A
ATOM 1194 CD2 LEU A 178 36.663 52.866 72.922 1.00 34.85 A
ATOM 1195 C LEU A 178 39.447 51.919 74.737 1.00 43.39 A
ATOM 1196 O LEU A 178 38.429 51.388 75.175 1.00 43.59 A
ATOM 1197 N GLU A 179 40.630 51.308 74.725 1.00 43.23 A
ATOM 1198 CA GLU A 179 40.794 49.942 75.225 1.00 47.81 A
ATOM 1199 CB GLU A 179 41.978 49.267 74.499 1.00 46.88 A
ATOM 1200 CG GLU A 179 41.655 48.948 73.034 1.00 47.64 A
ATOM 1201 CD GLU A 179 42.857 48.510 72.216 1.00 51.53 A
ATOM 1202 OEl GLU A 179 42.654 48.096 71.047 1.00 56.72 A
ATOM 1203 OE2 GLU A 179 43.994 48.585 72.732 1.00 44.26 A
ATOM 1204 C GLU A 179 40.940 49.838 76.750 1.00 44.28 A
ATOM 1205 O GLU A 179 41.061 48.744 77.295 1.00 45.04 A
ATOM 1206 N GLY A 180 40.926 50.982 77.429 1.00 40.45 A
ATOM 1207 CA GLY A 180 41.017 50.992 78.878 1.00 34.69 A
ATOM 1208 C GLY A 180 42.353 51.252 79.556 1.00 38.31 A
ATOM 1209 O GLY A 180 42.429 51.156 80.777 1.00 40.14 A
ATOM 1210 N ASP A 181 43.407 51.569 78.809 1.00 39.32 A
ATOM 1211 CA ASP A 181 44.701 51.824 79.440 1.00 36.79 A
ATOM 1212 CB ASP A 181 45.804 51.912 78.389 1.00 39.51 A
ATOM 1213 CG ASP A 181 47.188 51.910 78.999 1.00 47.16 A
ATOM 1214 ODl ASP A 181 47.400 52.609 80.015 1.00 51.67 A
ATOM 1215 OD2 ASP A 181 48.070 51.211 78.453 1.00 62.74 A
ATOM 1216 C ASP A 181 44.614 53.141 80.213 1.00 40.75 A
ATOM 1217 O ASP A 181 44.552 54.217 79.620 1.00 38.55 A
ATOM 1218 N ALA A 182 44.624 53.046 81.539 1.00 40.26 A
ATOM 1219 CA ALA A 182 44.516 54.216 82.406 1.00 36.78 A
ATOM 1220 CB ALA A 182 44.635 53.787 83.866 1.00 38.29 A
ATOM 1221 C ALA A 182 45.501 55.345 82.110 1.00 37.70 A
ATOM 1222 O ALA A 182 45.125 56.520 82.136 1.00 40.24 A
ATOM 1223 N GLU A 183 46.754 55.015 81.825 1.00 38.92 A
ATOM 1224 CA GLU A 183 47.727 56.063 81.540 1.00 42.44 A
ATOM 1225 CB GLU A 183 49.131 55.471 81.380 1.00 51.93 A
ATOM 1226 CG GLU A 183 49.735 55.007 82.699 1.00 59.97 A
ATOM 1227 CD GLU A 183 51.180 54.578 82.568 1.00 68.49 A
ATOM 1228 OEl GLU A 183 51.457 53.643 81.785 1.00 72.59 A
ATOM 1229 OE2 GLU A 183 52.038 55.177 83.253 1.00 71.96 A
ATOM 1230 C GLU A 183 47.350 56.884 80.308 1.00 44.65 A
ATOM 1231 O GLU A 183 47.599 58.094 80.265 1.00 42.99 A
ATOM 1232 N TRP A 184 46.737 56.239 79.319 1.00 39.00 A
ATOM 1233 CA TRP A 184 46.332 56.940 78.106 1.00 38.17 A ATOM 1234 CB TRP A 184 46.327 55.983 76.905 1.00 31.97 A
ATOM 1235 CG TRP A 184 47.717 55.608 76.458 1.00 37.52 A
ATOM 1236 CD2 TRP A 184 48.701 56.482 , 75.877 1.00 40.52 A
ATOM 1237 CE2 TRP A 184 49.864 55.71θ ' 75.647 1.00 39.88 A
ATOM 1238 CE3 TRP A 184 48.711 57.844 75.529 1.00 42.52 A
ATOM 1239 CDl TRP A 184 48.310 54.378 76.554 1.00 36.34 A
ATOM 1240 NEl TRP A 184 49.599 54.433 76.070 1.00 42.75 A
ATOM 1241 CZ2 TRP A 184 51.027 56.252 75.090 1.00 37.39 A
ATOM 1242 CZ3 TRP A 184 49.872 58.386 74.973 1.00 41.22 A
ATOM 1243 CH2 TRP A 184 51.012 57.586 74.758 1.00 41.31 A
ATOM 1244 C TRP A 184 44.965 57.609 78.276 1.00 38.53 A
ATOM 1245 O TRP A 184 44.687 58.658 77.684 1.00 28.76 A
ATOM 1246 N GLU A 185 44.116 57.018 79.105 1.00 34.12 A
ATOM 1247 CA GLU A 185 42.806 57.595 79.343 1.00 32.28 A
ATOM 1248 CB GLU A 185 42.006 56.718 80.298 1.00 29.99 A
ATOM 1249 CG GLU A 185 41.740 55.313 79.775 1.00 36.84 A
ATOM 1250 CD GLU A 185 40.888 54.511 80.730 1.00 44.06 A
ATOM 1251 OEl GLU A 185 41.316 54.340 81.900 1.00 41.63 A
ATOM 1252 OE2 GLU A 185 39.790 54.063 80.315 1.00 33.11 A
ATOM 1253 C GLU A 185 42.987 58.983 79.951 1.00 35.57 A
ATOM 1254 O GLU A 185 42.172 59.884 79.736 1.00 31.21 A
ATOM 1255 N ALA A 186 44.064 59.153 80.710 1.00 30.79 A
ATOM 1256 CA ALA A 186 44.335 60.441 81.334 1.00 35.48 A
ATOM 1257 CB ALA A 186 45.587 60.355 82.199 1.00 29.36 A
ATOM 1258 C ALA A 186 44.494 61.538 80.271 1.00 40.20 A
ATOM 1259 O ALA A 186 44.125 62.698 80.513 1.00 33.33 A
ATOM 1260 N LYS A 187 45.033 61.175 79.101 1.00 35.11 A
ATOM 1261 CA LYS A 187 45.220 62.151 78.019 1.00 30.99 A
ATOM 1262 CB LYS A 187 46.131 61.578 76.939 1.00 26.38 A
ATOM 1263 CG LYS A 187 47.558 61.393 77.444 1.00 41.47 A
ATOM 1264 CD LYS A 187 48.095 62.709 77.983 1.00 46.90 A
ATOM 1265 CE LYS A 187 49.544 62.612 78.405 1.00 56.84 A
ATOM 1266 NZ LYS A 187 50.060 63.958 78.770 1.00 66.15 A
ATOM 1267 C LYS A 187 43.882 62.600 77.435 1.00 27.49 A
ATOM 1268 O LYS A 187 43.708 63.760 77.056 1.00 30.01 A
ATOM 1269 N ILE A 188 42.924 61.686 77.389 1.00 28.42 A
ATOM 1270 CA ILE A 188 41.599 62.025 76.907 1.00 24.93 A
ATOM 1271 CB ILE A 188 40.684 60.781 76.881 1.00 25.78 A
ATOM 1272 CG2 ILE A 188 39.292 61.155 76.415 1.00 26.07 A
ATOM 1273 CGl ILE A 188 41.247 59.751 75.905 1.00 35.23 A
ATOM 1274 CDl ILE A 188 41.320 60.254 74.462 1.00 25.71 A
ATOM 1275 C ILE A 188 41.017 63.082 77.859 1.00 30.96 A
ATOM 1276 O ILE A 188 40.433 64.068 77.409 1.00 32.19 A
ATOM 1277 N LEU A 189 41.193 62.888 79.170 1.00 29.11 A
ATOM 1278 CA LEU A 189 40.669 63.844 80.150 1.00 27.64 A
ATOM 1279 CB LEU A 189 40.836 63.311 81.578 1.00 24.46 A
ATOM 1280 CG LEU A 189 39.994 62.074 81.900 1.00 32.53 A
ATOM 1281 CDl LEU A 189 40.365 61.533 83.280 1.00 29.04 A
ATOM 1282 CD2 LEU A 189 38.510 62.445 81.825 1.00 24.35 A
ATOM 1283 C LEU A 189 41.370 65.190 80.012 1.00 27.29 A
ATOM 1284 O LEU A 189 40.777 66.239 80.246 1.00 28.88 A
ATOM 1285 N GLU A 190 42.639 65.162 79.634 1.00 29.68 A
ATOM 1286 CA GLU A 190 43.369 66.402 79.445 1.00 29.56 A
ATOM 1287 CB GLU A 190 44.833 66.119 79.098 1.00 26.31 A
ATOM 1288 CG GLU A 190 45.720 67.356 79.067 1.00 35.35 A
ATOM 1289 CD GLU A 190 47.143 67.065 78.577 1.00 42.20 A
ATOM 1290 OEl GLU A 190 47.658 65.945 78.806 1.00 51.78 A
ATOM 1291 OE2 GLU A 190 47.754 67.968 77.974 1.00 51.11 A
ATOM 1292 C GLU A 190 42.687 67.106 78.270 1.00 31.59 A ATOM 1293 O GLU A 190 42.371 68.293 78.334 1.00 25.64 A
ATOM 1294 N LEU A 191 42.440 66.361 77.196 1.00 26.82 A
ATOM 1295 CA LEU A 191 41.798 66.956 76.026 1.00 31.70 A
ATOM 1296 CB LEU A 191 41.588 65.906 74.926 1.00 34.40 A
ATOM 1297 CG LEU A 191 40.771 66.361 73.712 1.00 36.62 A
ATOM 1298 CDl LEU A 191 41.528 67.460 72.993 1.00 29.60 A
ATOM 1299 CD2 LEU A 191 40.503 65.186 72.775 1.00 30.84 A
ATOM 1300 C LEU A 191 40.456 67.578 76.412 1.00 33.17 A
ATOM 1301 O LEU A 191 40.163 68.716 76.032 1.00 28.04 A
ATOM 1302 N ALA A 192 39.653 66.835 77.174 1.00 30.72 A
ATOM 1303 CA ALA A 192 38.344 67.326 77.603 1.00 30.59 A
ATOM 1304 CB ALA A 192 37.622 66.274 78.439 1.00 24.01 A
ATOM 1305 C ALA A 192 38.526 68.593 78.421 1.00 33.60 A
ATOM 1306 O ALA A 192 37.699 69.511 78.361 1.00 30.25 A
ATOM 1307 N GLY A 193 39.608 68.634 79.193 1.00 28.40 A
ATOM 1308 CA GLY A 193 39.869 69.799 80.013 1.00 25.80 A
ATOM 1309 C GLY A 193 40.010 71.015 79.117 1.00 31.69 A
ATOM 1310 O GLY A 193 39.467 72.088 79.417 1.00 28.98 A
ATOM 1311 N PHE A 194 40.733 70.851 78.009 1.00 22.77 A
ATOM 1312 CA PHE A 194 40.937 71.954 77.080 1.00 26.92 A
ATOM 1313 CB PHE A 194 42.016 71.609 76.048 1.00 24.72 A
ATOM 1314 CG PHE A 194 43.429 71.751 76.570 1.00 25.01 A
ATOM 1315 CDl PHE A 194 43.873 72.967 77.083 1.00 27.92 A
ATOM 1316 CD2 PHE A 194 44.322 70.684 76.522 1.00 21.13 A
ATOM 1317 CEl PHE A 194 45.186 73.122 77.540 1.00 24.76 A
ATOM 1318 CE2 PHE A 194 45.640 70.826 76.974 1.00 25.19 A
ATOM 1319 CZ PHE A 194 46.071 72.051 77.484 1.00 23.58 A
ATOM 1320 C PHE A 194 39.641 72.356 76.380 1.00 27.68 A
ATOM 1321 O PHE A 194 39.441 73.527 76.079 1.00 29.73 A
ATOM 1322 N LEU A 195 38.757 71.403 76.107 1.00 29.14 A
ATOM 1323 CA LEU A 195 37.495 71.766 75.472 1.00 25.12 A
ATOM 1324 CB LEU A 195 36.619 70.529 75.232 1.00 23.78 A
ATOM 1325 CG LEU A 195 37.079 69.490 74.191 1.00 26.91 A
ATOM 1326 CDl LEU A 195 36.148 68.289 74.218 1.00 22.78 A
ATOM 1327 CD2 LEU A 195 37.095 70.091 72.802 1.00 17.88 A
ATOM 1328 C LEU A 195 36.795 72.742 76.424 1.00 34.53 A
ATOM 1329 O LEU A 195 36.286 73.786 76.004 1.00 37.61 A
ATOM 1330 N ASP A 196 36.807 72.403 77.714 1.00 34.52 A
ATOM 1331 CA ASP A 196 36.193 73.219 78.754 1.00 30.62 A
ATOM 1332 CB ASP A 196 36.239 72.489 80.106 1.00 29.64 A
ATOM 1333 CG ASP A 196 35.261 71.345 80.201 1.00 29.75 A
ATOM 1334 ODl ASP A 196 35.453 70.497 81.099 1.00 34.96 A
ATOM 1335 OD2 ASP A 196 34.302 71.293 79.406 1.00 32.79 A
ATOM 1336 C ASP A 196 36.843 74.590 78.956 1.00 30.38 A
ATOM 1337 O ASP A 196 36.150 75.586 79.122 1.00 32.23 A
ATOM 1338 N SER A 197 38.172 74.638 78.963 1.00 32.57 A
ATOM 1339 CA SER A 197 38.886 75.887 79.231 1.00 33.68 A
ATOM 1340 CB SER A 197 40.160 75.589 80.021 1.00 32.81 A
ATOM 1341 OG SER A 197 41.064 74.826 79.240 1.00 35.32 A
ATOM 1342 C SER A 197 39.266 76.746 78.036 1.00 36.92 A
ATOM 1343 O SER A 197 39.189 77.977 78.094 1.00 32.30 A
ATOM 1344 N TYR A 198 39.693 76.101 76.959 1.00 35.90 A
ATOM 1345 CA TYR A 198 40.117 76.828 75.776 1.00 29.11 A
ATOM 1346 CB TYR A 198 41.006 75.939 74.925 1.00 29.43 A
ATOM 1347 CG TYR A 198 41.712 76.682 73.832 1.00 30.15 A
ATOM 1348 CDl TYR A 198 41.322 76.528 72.507 1.00 35.39 A
ATOM 1349 CEl TYR A 198 41.998 77.176 71.467 1.00 32.96 A
ATOM 1350 CD2 TYR A 198 42.799 77.518 74.116 1.00 23.82 A
ATOM 1351 CE2 TYR A 198 43.483 78.176 73.094 1.00 25.14 A ATOM 1352 CZ TYR A 198 43.076 77.996 71.762 1.00 33.17 A
ATOM 1353 OH TYR A 198 43.754 78.610 70.722 1.00 27.97 A
ATOM 1354 C TYR A 198 38.988 77.407 74.933 1.00 30.67 A
ATOM 1355 O TYR A 198 39.160 78.465 74.336 1.00 34.14 A
ATOM 1356 N ILE A 199 37.844 76.728 74.876 1.00 25.69 A
ATOM 1357 CA ILE A 199 36.698 77.228 74.112 1.00 26.60 A
ATOM 1358 CB ILE A 199 35.879 76.102 73.490 1.00 33.01 A
ATOM 1359 CG2 ILE A 199 34.696 76.685 72.730 1.00 24.30 A
ATOM 1360 CGl ILE A 199 36.738 75.275 72.544 1.00 30.27 A
ATOM 1361 CDl ILE A 199 36.001 74.031 72.055 1.00 33.40 A
ATOM 1362 C ILE A 199 35.760 77.989 75.043 1.00 34.41 A
ATOM 1363 O ILE A 199 35.098 77.406 75.896 1.00 38.26 A
ATOM 1364 N PRO A 200 35.676 79.307 74.876 1.00 36.72 A
ATOM 1365 CD PRO A 200 36.344 80.155 73.874 1.00 38.48 A
ATOM 1366 CA PRO A 200 34.799 80.096 75.741 1.00 39.09 A
ATOM 1367 CB PRO A 200 35.139 81.534 75.347 1.00 37.50 A
ATOM 1368 CG PRO A 200 35.488 81.392 73.886 1.00 43.96 A
ATOM 1369 C PRO A 200 33.316 79.762 75.589 1.00 41.25 A
ATOM 1370 O PRO A 200 32.870 79.327 74.530 1.00 35.79 A
ATOM 1371 N GLU A 201 32.565 79.954 76.672 1.00 48.51 A
ATOM 1372 CA GLU A 201 31.132 79.691 76.680 1.00 52.61 A
ATOM 1373 CB GLU A 201 30.545 80.017 78.059 1.00 59.82 A
ATOM 1374 CG GLU A 201 29.215 79.336 78.366 1.00 69.92 A
ATOM 1375 CD GLU A 201 28.697 79.661 79.762 1.00 78.37 A
ATOM 1376 OEl GLU A 201 29.457 79.492 80.743 1.00 79.77 A
ATOM 1377 OE2 GLU A 201 27.526 80.082 79.877 1.00 82.19 A
ATOM 1378 C GLU A 201 30.513 80.585 75.610 1.00 53.82 A
ATOM 1379 O GLU A 201 30.624 81.807 75.663 1.00 51.94 A
ATOM 1380 N PRO A 202 29.861 79.981 74.614 1.00 53.91 A
ATOM 1381 CD PRO A 202 29.741 78.527 74.433 1.00 57.11 A
ATOM 1382 CA PRO A 202 29.218 80.700 73.507 1.00 56.50 A
ATOM 1383 CB PRO A 202 28.807 79.581 72.550 1.00 53.14 A
ATOM 1384 CG PRO A 202 29.686 78.420 72.942 1.00 55.77 A
ATOM 1385 C PRO A 202 28.013 81.521 73.943 1.00 57.52 A
ATOM 1386 O PRO A 202 27.236 81.084 74.791 1.00 57.75 A
ATOM 1387 N GLU A 203 27.852 82.706 73.361 1.00 55.87 A
ATOM 1388 CA GLU A 203 26.712 83.549 73.704 1.00 61.65 A
ATOM 1389 CB GLU A 203 27.013 85.016 73.426 1.00 67.35 A
ATOM 1390 CG GLU A 203 27.880 85.653 74.491 1.00 75.84 A
ATOM 1391 CD GLU A 203 28.231 87.080 74.164 1.00 81.91 A
ATOM 1392 OEl GLU A 203 28.812 87.307 73.081 1.00 85.03 A
ATOM 1393 OE2 GLU A 203 27.929 87.972 74.986 1.00 88.48 A
ATOM 1394 C GLU A 203 25.510 83.106 72.902 1.00 58.36 A
ATOM 1395 O GLU A 203 25.618 82.816 71.717 1.00 61.82 A
ATOM 1396 N ARG A 204 24.358 83.048 73.551 1.00 55.92 A
ATOM 1397 CA ARG A 204 23.158 82.600 72.871 1.00 57.74 A
ATOM 1398 CB ARG A 204 22.610 81.349 73.566 1.00 63.04 A
ATOM 1399 CG ARG A 204 23.632 80.219 73.677 1.00 67.67 A
ATOM 1400 CD ARG A 204 24.225 79.855 72.308 1.00 67.61 A
ATOM • 1401 NE ARG A 204 25.228 78.798 72.416 1.00 65.05 A
ATOM 1402 CZ ARG A 204 25.965 78.351 71.406 1.00 64.85 A
ATOM 1403 NHl ARG A 204 25.821 78.867 70.190 1.00 67.10 A
ATOM 1404 NH2 ARG A 204 26.850 77.386 71.614 1.00 60.99 A
ATOM 1405 C ARG A 204 22.076 83.662 72.768 1.00 52.47 A
ATOM 1406 O ARG A 204 21.733 84.335 73.740 1.00 49.32 A
ATOM 1407 N ALA A 205 21.539 83.793 71.566 1.00 48.23 A
ATOM 1408 CA ALA A 205 20.496 84.759 71.284 1.00 47.17 A
ATOM 1409 CB ALA A 205 20.453 85.024 69.785 1.00 50.71 A
ATOM 1410 C ALA A 205 19.134 84.276 71.771 1.00 42.13 A ATOM 1411 O ALA A 205 18.216 84.108 70.974 00 40.28 A
ATOM 1412 N ILE A 206 18.996 84.076 73.076 00 42.44 A
ATOM 1413 CA ILE A 206 17.740 83.593 73.637 00 51.62 A
ATOM 1414 CB ILE A 206 17.930 83.102 75.106 00 51.80 A
ATOM 1415 CG2 ILE A 206 16.702 83.424 75.953 00 61.83 A
ATOM 1416 CGl ILE A 206 18.161 81.588 75.112 00 55.88 A
ATOM 1417 CDl ILE A 206 18.384 80.996 76.498 00 65.98 A
ATOM 1418 C ILE A 206 16.575 84.573 73.590 1.00 51.12 A
ATOM 1419 O ILE A 206 15.415 84.150 73.557 1.00 51.92 A
ATOM 1420 N ASP A 207 16.867 85.871 73.574 1.00 48.53 A
ATOM 1421 CA ASP A 207 15.804 86.871 73.554 1.00 48.20 A
ATOM 1422 CB ASP A 207 16.244 88.120 74.321 00 49.76 A
ATOM 1423 CG ASP A 207 16.401 87.861 75.803 1.00 53.78 A
ATOM 1424 ODl ASP A 207 15.519 87.194 76.386 1. 00 53.41 A
ATOM 1425 OD2 ASP A 207 17.398 88.330 76.387 1.00 61.11 A
ATOM 1426 C ASP A 207 15.294 87.278 72.173 1.00 51.53 A
ATOM 1427 O ASP A 207 14.754 88.367 72.005 1.00 58.92 A
ATOM 1428 N LYS A 208 15.460 86.408 71.184 1.00 49.46 A
ATOM 1429 CA LYS A 208 14.987 86.698 69.841 1.00 45.56 A
ATOM 1430 CB LYS A 208 16.140 86.640 68.847 1.00 49.26 A
ATOM 1431 CG LYS A 208 17.149 87.757 69.021 1.00 55.27 A
ATOM 1432 CD LYS A 208 18.123 87.795 67.858 1.00 56.03 A
ATOM 1433 CE LYS A 208 18.936 89.089 67.863 1.00 60.75 A
ATOM 1434 NZ LYS A 208 18.081 90.302 67.652 1.00 60.96 A
ATOM 1435 C LYS A 208 13.913 85.701 69.438 00 48.13 A
ATOM 1436 O LYS A 208 13.730 84.676 70.097 00 50.62 A
ATOM 1437 N PRO A 209 13.173 85.991 68.357 1.00 47.49 A
ATOM 1438 CD PRO A 209 13.240 87.151 67.453 00 43.92 A
ATOM 1439 CA PRO A 209 12.130 85.056 67.933 00 45.07 A
ATOM 1440 CB PRO A 209 11.450 85.799 66.784 1.00 44.06 A
ATOM 1441 CG PRO A 209 12.568 86.625 66.220 1.00 49.48 A
ATOM 1442 C PRO A 209 12.745 83.712 67.520 1.00 45.61 A
ATOM 1443 O PRO A 209 13.798 83.657 66.874 1.00 43.01 A
ATOM 1444 N PHE A 210 12.080 82.631 67.910 1.00 41.65 A
ATOM 1445 CA PHE A 210 12.554 81.283 67.636 00 43.45 A
ATOM 1446 CB PHE A 210 11.544 80.255 68.167 00 43.06 A
ATOM 1447 CG PHE A 210 11.885 78.836 67.808 00 47.93 A
ATOM 1448 CDl PHE A 210 13.070 78.253 68.265 1.00 44.24 A
ATOM 1449 CD2 PHE A 210 11.045 78.093 66.981 1. 00 41.67 A
ATOM 1450 CEl PHE A 210 13.413 76.951 67.901 1.00 46.83 A
ATOM 1451 CE2 PHE A 210 11.379 76.790 66.610 1.00 43.82 A
ATOM 1452 CZ PHE A 210 12.564 76.217 67.070 1.00 44.88 A
ATOM 1453 C PHE A 210 12.876 80.946 66.184 1.00 43.37 A
ATOM 1454 O PHE A 210 12.104 81.247 65.271 1.00 41.69 A
ATOM 1455 N LEU A 211 14.026 80.311 65.983 1.00 40.77 A
ATOM 1456 CA LEU A 211 14.437 79.876 64.654 1.00 44.08 A
ATOM 1457 CB LEU A 211 15.114 81.010 63.870 1.00 39.20 A
ATOM 1458 CG LEU A 211 15.384 80.655 62.397 1.00 40.20 A
ATOM 1459 CDl LEU A 211 15.493 81.911 61.549 1.00 49.18
ATOM 1460 CD2 LEU A 211 16.657 79.835 62.293 1.00 36.49 A
ATOM 1461 C LEU A 211 15.380 78.680 64.764 1.00 43.46 A
ATOM 1462 O LEU A 211 16.305 78.677 65.583 00 42.22 A
ATOM 1463 N LEU A 212 15.123 77.665 63.940 00 41.95 A
ATOM 1464 CA LEU A 212 15.936 76.452 63.911 00 39.92 A
ATOM 1465 CB LEU A 212 15.326 75.376 64.813 1.00 40.38 A
ATOM 1466 CG LEU A 212 15.944 73.975 64.713 1.00 45.25 A
ATOM 1467 CDl LEU A 212 15.880 73.263 66.050 .00 42.11 A
ATOM 1468 CD2 LEU A 212 15.221 73.183 63.640 .00 43.75 A
ATOM 1469 C LEU A 212 16.091 75.894 62.499 1.00 38.12 A ATOM 1470 O LEU A 212 15.119 75.478 61.877 1.00 40.05 A
ATOM 1471 N PRO A 213 17.322 75.891 61.965 1.00 37.99 A
ATOM 1472 CD PRO A 213 18.580 76.450 62.499 1.00 36.52 A
ATOM 1473 CA PRO A 213 17.499 75.352 60.614 1.00 35.39 A
ATOM 1474 CB PRO A 213 18.856 75.916 60.188 1.00 35.43 A
ATOM 1475 CG PRO A 213 19.611 75.994 61.476 1.00 37.18 A
ATOM 1476 C PRO A 213 17.467 73.815 60.670 1.00 43.65 A
ATOM 1477 O PRO A 213 18.186 73.187 61.457 1.00 37.70 A
ATOM 1478 N ILE A 214 16.623 73.224 59.829 1.00 43.87 A
ATOM 1479 CA ILE A 214 16.439 71.778 59.772 1.00 44.28 A
ATOM 1480 CB ILE A 214 15.071 71.450 59.128 1.00 40.74 A
ATOM 1481 CG2 ILE A 214 14.845 69.941 59.107 1.00 40.03 A
ATOM 1482 CGl ILE A 214 13.954 72.139 59.913 1.00 39.29 A
ATOM 1483 CDl ILE A 214 12.597 72.097 59.230 1.00 39.62 A
ATOM 1484 C ILE A 214 17.521 70.992 59.023 1.00 47.16 A
ATOM 1485 O ILE A 214 17.819 71.270 57.860 1.00 47.06 A
ATOM 1486 N GLU A 215 18.094 69.996 59.694 1.00 48.59 A
ATOM 1487 CA GLU A 215 19.115 69.141 59.086 1. 00 50.70 A
ATOM 1488 CB GLU A 215 20.277 68.904 60.043 1 .00 58.09 A
ATOM 1489 CG GLU A 215 20.794 70.152 60.715 1.00 68.46 A
ATOM 1490 CD GLU A 215 22.090 69.908 61.457 1.00 74.50 A
ATOM 1491 OEl GLU A 215 22.479 70.781 62.265 1.00 71.37 A
ATOM 1492 OE2 GLU A 215 22.720 68.848 61.221 1.00 74.71 A
ATOM 1493 C GLU A 215 18.489 67.796 58.754 1.00 50.61 A
ATOM 1494 O GLU A 215 18.272 67.472 57.587 1.00 50.60 A
ATOM 1495 N ASP A 216 18.194 67.020 59.795 1.00 55.10 A
ATOM 1496 CA ASP A 216 17.589 65.698 59.635 1.00 60.61 A
ATOM 1497 CB ASP A 216 18.270 64.691 60.567 1.00 61.26 A
ATOM 1498 CG ASP A 216 19.651 64.288 60.081 1.00 66.60 A
ATOM 1499 ODl ASP A 216 20.524 64.012 60.932 1.00 68.98 A
ATOM 1500 OD2 ASP A 216 19.860 64.237 58.848 , 00 59.98 A
ATOM 1501 C ASP A 216 16.097 65.721 59.921 .00 59.91 A
ATOM 1502 O ASP A 216 15.633 66.491 60.758 .00 58.74 A
ATOM 1503 N VAL A 217 15.359 64.866 59.219 1 00 59.92 A
ATOM 1504 CA VAL A 217 13.912 64.758 59.379 1.00 63.11 A
ATOM 1505 CB VAL A 217 13.168 65.488 58.239 00 64.68 A
ATOM 1506 CGl VAL A 217 11.666 65.247 58.349 00 55.03 A
ATOM 1507 CG2 VAL A 217 13.476 66.971 58.296 00 70.05 A
ATOM 1508 C VAL A 217 13.481 63.291 59.369 00 64.09 A
ATOM 1509 O VAL A 217 13.319 62.700 58.302 00 65.85 A
ATOM 1510 N PHE A 218 13.289 62.707 60.551 00 63.29 A
ATOM 1511 CA PHE A 218 12.874 61.308 60.645 00 63.87 A
ATOM 1512 CB PHE A 218 13.928 60.500 61.418 00 60.87 A
ATOM 1513 CG PHE A 218 14.148 60.960 62.836 00 62.44 A
ATOM 1514 CDl PHE A 218 13.362 60.464 63.878 00 63.19 A
ATOM 1515 CD2 PHE A 218 15.164 61.860 63.140 1.00 60.15 A
ATOM 1516 CEl PHE A 218 13.591 60.853 65.207 1, .00 59.90 A
ATOM 1517 CE2 PHE A 218 15.400 62.257 64.467 1..00 61.89 A
ATOM 1518 CZ PHE A 218 14.611 61.749 65.501 1..00 57.12 A
ATOM 1519 C PHE A 218 11.485 61.101 61.248 1..00 66.25 A
ATOM 1520 O PHE A 218 11.056 61.826 62.149 1..00 66.47 A
ATOM 1521 N SER A 219 10.775 60.105 60.735 1..00 68.43 A
ATOM 1522 CA SER A 219 9.427 59.800 61.199 1..00 72.28 A
ATOM 1523 CB SER A 219 8.599 59.265 60.022 1..00 71.95 A
ATOM 1524 OG SER A 219 7.262 58.989 60.413 1..00 80.93 A
ATOM 1525 C SER A 219 9.440 58.778 62.339 1.00 74.23 A
ATOM 1526 O SER A 219 10.161 57.782 62.282 1.00 77.33 A
ATOM 1527 N ILE A 220 8.652 59.045 63.378 1.00 70.78 A
ATOM 1528 CA ILE A 220 8.545 58.143 64.523 1.00 68.41 A ATOM 1529 CB ILE A 220 8.804 58.875 65.873 1.00 69.51 A
ATOM 1530 CG2 ILE A 220 8.498 57.939 67.047 1.00 69.28 A
ATOM 1531 CGl ILE A 220 10.250 59.353 65.948 1.00 70.17 A
ATOM 1532 CDl ILE A 220 11.262 58.232 65.897 1.00 76.71 A
ATOM 1533 C ILE A 220 7.138 57.544 64.563 1.00 65.37 A
ATOM 1534 O ILE A 220 6.152 58.259 64.747 1.00 64.98 A
ATOM 1535 N SER A 221 7.043 56.233 64.387 1.00 65.08 A
ATOM 1536 CA SER A 221 5.742 55.573 64.390 1.00 68.92 A
ATOM 1537 CB SER A 221 5.931 54.056 64.307 1.00 67.14 A
ATOM 1538 OG SER A 221 4.682 53.386 64.341 1.00 71.16 A
ATOM 1539 C SER A 221 4.914 55.933 65.619 1.00 68.12 A
ATOM 1540 O SER A 221 5.359 55.751 66.755 1.00 67.80 Α
ATOM 1541 N GLY A 222 3.714 56.460 65.378 1.00 67.35 A
ATOM 1542 CA GLY A 222 2.815 56.833 66.464 1.00 73.87 A
ATOM 1543 C GLY A 222 3.082 58.175 67.130 1.00 77.56 A
ATOM 1544 O GLY A 222 2.556 58.441 68.207 1.00 79.49 A
ATOM 1545 N ARG A 223 3.887 59.025 66.496 1.00 81.19 A
ATOM 1546 CA ARG A 223 4.211 60.333 67.061 1.00 81.87 A
ATOM 1547 CB ARG A 223 5.632 60.332 67.628 1.00 83.98 A
ATOM 1548 CG ARG A 223 5.797 59.758 69.021 1.00 87.53 A
ATOM 1549 CD ARG A 223 7.240 59.953 69.465 1.00 89.34 A
ATOM 1550 NE ARG A 223 7.436 59.669 70.881 1.00 94.34 A
ATOM 1551 CZ ARG A 223 8.619 59.695 71.486 1.00 98.33 A
ATOM 1552 NHl ARG A 223 9.712 59.994 70.795 1.00 99.70 A
ATOM 1553 NH2 ARG A 223 8.710 59.420 72.781 1.00100.96 A
ATOM 1554 C ARG A 223 .088 61.514 66.093 1.00 80.25 A
ATOM 1555 O ARG A 223 .708 62.622 66.495 1.00 82.13 A
ATOM 1556 N GLY A 224 .411 61.285 64.825 1.00 76.91 A
ATOM 1557 CA GLY A 224 .385 62.331 63.821 1.00 73.90 A
ATOM 1558 C GLY A 224 .806 62.464 63.310 1.00 70.14 A
ATOM 1559 O GLY A 224 6.592 61.517 63.408 1.00 67.08 A
ATOM 1560 N THR A 225 6.165 63.628 62.781 1.00 63.90 A
ATOM 1561 CA THR A 225 7.509 63.821 62.272 1.00 56.03 A
ATOM 1562 CB THR A 225 7.471 64.510 60.917 1.00 59.41 A
ATOM 1563 OGl THR A 225 6.537 63.823 60.067 1.00 63.97 A
ATOM 1564 CG2 THR A 225 8.855 64.499 60.267 1.00 56.01 A
ATOM 1565 C THR A 225 8.377 64.631 63.232 1.00 55.57 A
ATOM 1566 O THR A 225 7.890 65.504 63.956 1.00 56.39 A
ATOM 1567 N VAL A 226 9.670 64.324 63.248 1.00 54.87 A
ATOM 1568 CA VAL A 226 10.624 65.031 64.099 1.00 55.30 A
ATOM 1569 CB VAL A 226 11.233 64.110 65.162 1.00 55.63 A
ATOM 1570 CGl VAL A 226 12.323 64.855 65.931 1.00 56.03 A
ATOM 1571 CG2 VAL A 226 10.156 63.643 66.109 1.00 63.05 A
ATOM 1572 C VAL A 226 11.776 65.593 63.273 1.00 56.52 A
ATOM 1573 O VAL A 226 12.427 64.861 62.529 1.00 57.39 A
ATOM 1574 N VAL A 227 12.027 66.890 63.410 1.00 51.60 A
ATOM 1575 CA VAL A 227 13.107 67.532 62.679 1.00 45.22 A
ATOM 1576 CB VAL A 227 12.629 68.827 61.980 1.00 46.65 A
ATOM 1577 CGl VAL A 227 11.551 68.491 60.961 1.00 41.80 A
ATOM 1578 CG2 VAL A 227 12.099 69.817 63.012 1.00 39.28 A
ATOM 1579 C VAL A 227 14.182 67.870 63.691 1.00 44.36 A
ATOM 1580 O VAL A 227 13.875 68.209 64.830 1.00 48.20 A
ATOM 1581 N THR A 228 15.441 67.769 63.287 1.00 43.70 A
ATOM 1582 CA THR A 228 16.536 68.069 64.197 1.00 43.50 A
ATOM 1583 CB THR A 228 17.454 66.834 64.434 1.00 47.67 A
ATOM 1584 OGl THR A 228 18.188 66.534 63.240 1.00 43.00 A
ATOM 1585 CG2 THR A 228 16.628 65.621 64.835 1.00 46.41 A
ATOM 1586 C THR A 228 17.403 69.205 63.674 1.00 42.89 A
ATOM 1587 O THR A 228 17.305 69.604 62.506 1.00 36.90 A ATOM 1588 N GLY A 229 18.253 69.714 64.560 1.00 37.17 A
ATOM 1589 CA GLY A 229 19.150 70.796 64.217 1.00 38.16 A
ATOM 1590 C GLY A 229 19.514 71.544 65.478 1.00 43.00 A
ATOM 1591 O GLY A 229 19.092 71.150 66.574 1.00 41.82 A
ATOM 1592 N ARG A 230 20.304 72.606 65.339 1.00 40.63 A
ATOM 1593 CA ARG A 230 20.692 73.409 66.490 1.00 45.06 A
ATOM 1594 CB ARG A 230 22.166 73.813 66.392 1.00 46.01 A
ATOM 1595 CG ARG A 230 22.738 74.302 67.705 1.00 47.57 A
ATOM 1596 CD ARG A 230 24.173 74.786 67.583 1.00 56.49 A
ATOM 1597 NE ARG A 230 24.802 74.873 68.906 1.00 61.38 A
ATOM 1598 CZ ARG A 230 26.017 75.367 69.150 1.00 56.14 A
ATOM 1599 NHl ARG A 230 26.767 75.839 68.163 1.00 47.73 A
ATOM 1600 NH2 ARG A 230 26.489 75.376 70.392 1.00 51.23 A
ATOM 1601 C ARG A 230 19.808 74.654 66.493 1.00 44.28 A
ATOM 1602 O ARG A 230 19.601 75.267 65.443 1.00 46.43 A
ATOM 1603 N VAL A 231 19.265 75.011 67.655 1.00 42.56 A
ATOM 1604 CA VAL A 231 18.407 76.197 67.755 1.00 42.06 A
ATOM 1605 CB VAL A 231 17.706 76.288 69.130 1.00 42.50 A
ATOM 1606 CGl VAL A 231 16.817 77.530 69.180 1.00 45.12 A
ATOM 1607 CG2 VAL A 231 16.893 75.044 69.386 1.00 37.78 A
ATOM 1608 C VAL A 231 19.275 77.440 67.584 1.00 41.15 A
ATOM 1609 O VAL A 231 20.077 11.111 68.461 1.00 44.97 A
ATOM 1610 N GLU A 232 19.116 78.131 66.465 1.00 37.33 A
ATOM 1611 CA GLU A 232 19.921 79.312 66.205 1.00 42.83 A
ATOM 1612 CB GLU A 232 19.639 79.838 64.793 1.00 47.55 A
ATOM 1613 CG GLU A 232 20.676 80.834 64.299 1.00 49.69 A
ATOM 1614 CD GLU A 232 20.395 81.323 62.894 1.00 51.86 A
ATOM 1615 OEl GLU A 232 19.947 82.481 62.740 1.00 56.62 A
ATOM 1616 OE2 GLU A 232 20.617 80.545 61.945 1.00 53.51 A
ATOM 1617 C GLU A 232 19.655 80.410 67.231 1.00 43.31 A
ATOM 1618 O GLU A 232 20.584 81.048 67.741 1.00 41.57 A
ATOM 1619 N ARG A 233 18.381 80.627 67.535 1.00 41.66 A
ATOM 1620 CA ARG A 233 18.005 81.656 68.492 1.00 43.68 A
ATOM 1621 CB ARG A 233 18.064 83.030 67.823 1.00 42.52 A
ATOM 1622 CG ARG A 233 17.305 83.115 66.506 1.00 43.12 A
ATOM 1623 CD ARG A 233 17.164 84.562 66.088 1.00 49.62 A
ATOM 1624 NE ARG A 233 17.276 84.766 64.648 1.00 48.28 A
ATOM 1625 CZ ARG A 233 16.245 84.859 63.813 1.00 52.02 A
ATOM 1626 NHl ARG A 233 16.467 85.044 62.519 1.00 39.35 A
ATOM 1627 NH2 ARG A 233 14.997 84.778 64.265 1.00 52.11 A
ATOM 1628 C ARG A 233 16.606 81.433 69.041 1.00 42.43 A
ATOM 1629 O ARG A 233 15.800 80.729 68.441 1.00 46.06 A
ATOM 1630 N GLY A 234 16.327 82.039 70.188 1.00 40.67 A
ATOM 1631 CA GLY A 234 15.011 81.916 70.786 1.00 45.94 A
ATOM 1632 C GLY A 234 14.730 80.653 71.580 1.00 43.81 A
ATOM 1633 O GLY A 234 15.637 79.962 72.043 1.00 39.55 A
ATOM 1634 N ILE A 235 13.447 80.365 71.746 1.00 42.32 A
ATOM 1635 CA ILE A 235 13.017 79.195 72.484 1.00 39.76 A
ATOM 1636 CB ILE A 235 12.726 79.536 73.954 1.00 41.56 A
ATOM 1637 CG2 ILE A 235 12.228 78.299 74.679 1.00 44.89 A
ATOM 1638 CGl ILE A 235 13.988 80.075 74.633 1.00 42.02 A
ATOM 1639 CDl ILE A 235 13.745 80.537 76.051 1.00 40.54 A
ATOM 1640 C ILE A 235 11.741 78.643 71.880 1.00 42.03 A
ATOM 1641 O ILE A 235 10.827 79.390 71.544 1.00 44.04 A
ATOM 1642 N ILE A 236 11.693 77.328 71.728 1.00 43.12 A
ATOM 1643 CA ILE A 236 10.514 76.672 71.202 1.00 46.24 A
ATOM 1644 CB ILE A 236 10.856 75.778 69.994 1.00 46.64 A
ATOM 1645 CG2 ILE A 236 11.936 74.767 70.366 1.00 45.11 A
ATOM 1646 CGl ILE A 236 9.592 75.075 69.498 1.00 51.05 A ATOM 1647 CDl ILE A 236 8.506 76.027 69.031 1.00 53.60 A
ATOM 1648 C ILE A 236 9.984 75.824 72.356 1.00 51.63 A
ATOM 1649 O ILE A 236 10.704 74.992 72.911 1.00 51.32 A
ATOM 1650 N LYS A 237 8.734 76.059 72.739 1.00 54.77 A
ATOM 1651 CA LYS A 237 8.136 75.324 73.843 1.00 56.52 A
ATOM 1652 CB LYS A 237 7.604 76.300 74.898 1.00 55.37 A
ATOM 1653 CG LYS A 237 8.671 77.252 75.433 1.00 59.68 A
ATOM 1654 CD LYS A 237 8.193 78.043 76.640 1.00 66.50 A
ATOM 1655 CE LYS A 237 7.004 78.927 76.303 1.00 75.01 A
ATOM 1656 NZ LYS A 237 6.570 79.755 77.469 1.00 79.57 A
ATOM 1657 C LYS A 237 7.020 74.425 73.351 1.00 60.74 A
ATOM 1658 O LYS A 237 6.355 74.731 72.362 1.00 63.79 A
ATOM 1659 N VAL A 238 6.830 73.302 74.035 1.00 62.37 A
ATOM 1660 CA VAL A 238 5.783 72.359 73.666 1.00 60.79 A
ATOM 1661 CB VAL A 238 5.734 71.167 74.659 1.00 62.57 A
ATOM 1662 CGl VAL A 238 4.566 70.238 74.321 1.00 58.67 A
ATOM 1663 CG2 VAL A 238 7.050 70.398 74.607 1.00 62.17 A
ATOM 1664 C VAL A 238 4.441 73.085 73.673 1.00 57.76 A
ATOM 1665 O VAL A 238 4.124 73.803 74.620 1.00 57.95 A
ATOM 1666 N GLY A 239 3.664 72.905 72.611 1.00 56.58 A
ATOM 1667 CA GLY A 239 2.373 73.561 72.529 1.00 60.29 A
ATOM 1668 C GLY A 239 2.361 74.774 71.611 1.00 61.25 A
ATOM 1669 O GLY A 239 1.313 75.138 71.072 1.00 63.13 A
ATOM 1670 N GLU A 240 3.519 75.405 71.432 1.00 58.72 A
ATOM 1671 CA GLU A 240 3.628 76.579 70.572 1.00 56.76 A
ATOM 1672 CB GLU A 240 4.937 77.321 70.841 1.00 55.39 A
ATOM 1673 CG GLU A 240 4.964 78.082 72.155 1.00 59.56 A
ATOM 1674 CD GLU A 240 6.281 78.802 72.381 1.00 62.80 A
ATOM 1675 OEl GLU A 240 6.355 79.627 73.317 1.00 65.22 A
ATOM 1676 OE2 GLU A 240 7.241 78.538 71.627 1.00 59.02 A
ATOM 1677 C GLU A 240 3.565 76.196 69.104 1.00 59.37 A
ATOM 1678 O GLU A 240 4.007 75.112 68.714 1.00 57.50 A
ATOM 1679 N GLU A 241 3.015 77.088 68.287 1.00 57.45 A
ATOM 1680 CA GLU A 241 2.920 76.816 66.864 1.00 57.77 A
ATOM 1681 CB GLU A 241 1.649 77.440 66.273 1.00 64.55 A
ATOM 1682 CG GLU A 241 1.598 78.956 66.324 1.00 78.03 A
ATOM 1683 CD GLU A 241 0.333 79.519 65.696 1.00 83.36 A
ATOM 1684 OEl GLU A 241 0.203 80.762 65.637 1.00 85.80 A
ATOM 1685 OE2 GLU A 241 -0.528 78.719 65.265 1.00 85.41 A
ATOM 1686 C GLU A 241 4.157 77.369 66.173 1.00 52.86 A
ATOM 1687 O GLU A 241 4.836 78.246 66.706 1.00 47.29 A
ATOM 1688 N VAL A 242 4.451 76.841 64.991 1.00 50.94 A
ATOM 1689 CA VAL A 242 5.614 77.271 64.229 1.00 52.16 A
ATOM 1690 CB VAL A 242 6.831 76.340 64.481 1.00 53.32 A
ATOM 1691 CGl VAL A 242 7.218 76.357 65.949 1.00 53.88 A
ATOM 1692 CG2 VAL A 242 6.501 74.922 64.044 1.00 49.05 A
ATOM 1693 C VAL A 242 5.333 77.246 62.740 1.00 52.97 A
ATOM 1694 O VAL A 242 4.318 76.716 62.296 1.00 54.41 A
ATOM 1695 N GLU A 243 6.241 77.833 61.972 1.00 52.84 A
ATOM 1696 CA GLU A 243 6.121 77.831 60.525 1.00 51.45 A
ATOM 1697 CB GLU A 243 6.087 79.258 59.965 1.00 57.03 A
ATOM 1698 CG GLU A 243 4.858 80.069 60.332 1.00 64.74 A
ATOM 1699 CD GLU A 243 4.804 81.399 59.602 1.00 62.05 A
ATOM 1700 OEl GLU A 243 5.810 82.141 59.636 1.00 63.35 A
ATOM 1701 OE2 GLU A 243 3.753 81.701 59.001 1.00 61.63 A
ATOM 1702 C GLU A 243 7.354 77.104 59.981 1.00 52.68 A
ATOM 1703 O GLU A 243 8.410 77.073 60.634 1.00 43.78 A
ATOM 1704 N ILE A 244 7.199 76.490 58.809 1.00 48.04 A
ATOM 1705 CA ILE A 244 8.292 75.798 58.137 1.00 47.47 A ATOM 1706 CB ILE A 244 7.905 74.366 57.682 .00 47.00 A
ATOM 1707 CG2 ILE A 244 9.066 73.729 56.935 .00 44.09 A
ATOM 1708 CGl ILE A 244 7.548 73.489 58.885 .00 49.20 A
ATOM 1709 CDl ILE A 244 6.173 73.749 59.461 1.00 54.26 A
ATOM 1710 C ILE A 244 8.495 76.668 56.909 .00 47.96 A
ATOM 1711 O ILE A 244 7.691 76.621 55.981 .00 52.33 A
ATOM 1712 N VAL A 245 9.562 77.462 56.909 , 00 48.33 A
ATOM 1713 CA VAL A 245 9.825 78.391 55.813 , 00 46.59 A
ATOM 1714 CB VAL A 245 10.015 79.808 56.375 1.00 48.65 A
ATOM 1715 CGl VAL A 245 10.200 80.815 55.246 00 42.41 A
ATOM 1716 CG2 VAL A 245 8.824 80.165 57.249 00 44.60 A
ATOM 1717 C VAL A 245 11.022 78.061 54.929 00 51.05 A
ATOM 1718 O VAL A 245 12.087 77.666 55.420 00 49.51 A
ATOM 1719 N GLY A 246 10.831 78.240 53.621 00 49.43 A
ATOM 1720 CA GLY A 246 11.885 77.988 52.657 1.00 47.95 A
ATOM 1721 C GLY A 246 11.683 76.803 51.725 1 .00 51.81 A
ATOM 1722 O GLY A 246 11.076 75.801 52.099 1.00 46.90 A
ATOM 1723 N ILE A 247 12.204 76.936 50.505 1.00 55.55 A
ATOM 1724 CA ILE A 247 12.142 75.903 49.472 1.00 58.40 A
ATOM 1725 CB ILE A 247 12.753 74.587 49.974 1.00 58.07 A
ATOM 1726 CG2 ILE A 247 12.865 73.599 48.820 1.00 64.65 A
ATOM 1727 CGl ILE A 247 14.140 74.858 50.564 1.00 57.47 A
ATOM 1728 CDl ILE A 247 14.804 73.642 51.162 1.00 52.29 A
ATOM 1729 C ILE A 247 10.733 75.630 48.959 00 60.37 A
ATOM 1730 O ILE A 247 10.418 75.927 47.807 00 60.16 A
ATOM 1731 N LYS A 248 9.898 75.044 49.809 00 63.23 A
ATOM 1732 CA LYS A 248 8.513 74.759 49.454 00 63.08 A
ATOM 1733 CB LYS A 248 8.037 73.474 50.132 00 63.90 A
ATOM 1734 CG LYS A 248 8.695 72.214 49.615 00 73.03 A
ATOM 1735 CD LYS A 248 8.469 71.045 50.567 00 77.03 A
ATOM 1736 CE LYS A 248 9.178 69.787 50.073 00 81.91 A
ATOM 1737 NZ LYS A 248 9.252 68.715 51.113 00 79.53 A
ATOM 1738 C LYS A 248 7.663 75.924 49.945 00 64.57 A
ATOM 1739 O LYS A 248 8.188 76.901 50.484 00 61.93 A
ATOM 1740 N GLU A 249 6.351 75.814 49.765 00 65.36 A
ATOM 1741 CA GLU A 249 5.436 76.856 50.210 00 65.74 A
ATOM 1742 CB GLU A 249 4.064 76.653 49.572 1.00 71.25 A
ATOM 1743 CG GLU A 249 3.081 77.772 49.842 00 83.75 A
ATOM 1744 CD GLU A 249 1.745 77.537 49.166 00 90.69 A
ATOM 1745 OEl GLU A 249 1.737 77.319 47.933 1.00 94.88 A
ATOM 1746 OE2 GLU A 249 0.707 77.571 49.864 1.00 92.75 A
ATOM 1747 C GLU A 249 5.333 76.775 51.732 1.00 62.58 A
ATOM 1748 O GLU A 249 5.221 75.687 52.300 1.00 58.75 A
ATOM 1749 N THR A 250 5.375 77.932 52.386 1.00 61.37 A
ATOM 1750 CA THR A 250 5.313 77.993 53.841 00 56.51 A
ATOM 1751 CB THR A 250 5.232 79.451 54.328 00 53.00 A
ATOM 1752 OGl THR A 250 6.411 80.150 53.915 1.00 57.56 A
ATOM 1753 CG2 THR A 250 5.143 79.509 55.842 00 51.59 A
ATOM 1754 C THR A 250 4.147 77.211 54.426 00 56.37 A
ATOM 1755 O THR A 250 3.006 77.364 53.994 00 57.26 A
ATOM 1756 N GLN A 251 4.453 76.365 55.406 1.00 55.76 A
ATOM 1757 CA GLN A 251 3.445 75.558 56.084 00 54.30 A
ATOM 1758 CB GLN A 251 3.780 74.073 56.004 00 56.86 A
ATOM 1759 CG GLN A 251 3.935 73.501 54.614 00 61.65 A
ATOM 1760 CD GLN A 251 4.210 72.007 54.662 00 71.23 A
ATOM 1761 OEl GLN A 251 3.329 71.212 55.001 00 73.45 A
ATOM 1762 NE2 GLN A 251 5.441 71.619 54.345 00 72.16 A
ATOM 1763 C GLN A 251 3.414 75.958 57.549 00 53.33 A
ATOM 1764 O GLN A 251 4.317 76.638 58.036 1.00 57.94 A K2006/000077
52
ATOM 1765 N LYS A 252 2.381 75.521 58.256 1.00 53.02 A
ATOM 1766 CA LYS A 252 2.248 75.846 59.666 1.00 55.36 A
ATOM 1767 CB LYS A 252 1.070 76.808 59.870 1.00 59.91 A
ATOM 1768 CG LYS A 252 1.141 77.636 61.149 1.00 69.32 A
ATOM 1769 CD LYS A 252 0.118 78.767 61.136 1.00 75.67 A
ATOM 1770 CE LYS A 252 0.312 79.711 62.321 1.00 81.48 A
ATOM 1771 NZ LYS A 252 -0.623 80.877 62.284 1.00 81.93 A
ATOM 1772 C LYS A 252 2.024 74.555 60.440 1.00 53.77 A
ATOM 1773 O LYS A 252 1.441 73.604 59.921 1.00 54.02 A
ATOM 1774 N SER A 253 2.508 74.513 61.675 1.00 52.49 A
ATOM 1775 CA SER A 253 2.343 73.333 62.510 1.00 49.95 A
ATOM 1776 CB SER A 253 3.380 72.265 62.151 1.00 53.54 A
ATOM 1777 OG SER A 253 3.193 71.084 62.924 1.00 54.11 A
ATOM 1778 C SER A 253 2.469 73.697 63.980 1.00 49.01 A
ATOM 1779 O SER A 253 2.627 74.867 64.331 1.00 51.98 A
ATOM 1780 N THR A 254 2.407 72.686 64.836 1.00 47.01 A
ATOM 1781 CA THR A 254 2.496 72.892 66.276 1.00 51.93 A
ATOM 1782 CB THR A 254 1.139 72.615 66.963 1.00 46.97 A
ATOM 1783 OGl THR A 254 0.163 73.555 66.499 1.00 56.48 A
ATOM 1784 CG2 THR A 254 1.270 72.729 68.467 1.00 51.84 A
ATOM 1785 C THR A 254 3.528 71.961 66.891 1.00 53.15 A
ATOM 1786 O THR A 254 3.585 70.779 66.546 1.00 56.22 A
ATOM 1787 N CYS A 255 4.336 72.490 67.806 1.00 53.55 A
ATOM 1788 CA CYS A 255 5.351 71.682 68.475 1.00 54.24 A
ATOM 1789 CB CYS A 255 6.394 72.572 69.156 1.00 53.84 A
ATOM 1790 SG CYS A 255 7.582 71.649 70.185 1.00 56.87 A
ATOM 1791 C CYS A 255 4.705 70.776 69.518 1.00 53.81 A
ATOM 1792 O CYS A 255 4.155 71.243 70.518 1.00 56.81 A
ATOM 1793 N THR A 256 4.787 69.474 69.282 1.00 54.05 A
ATOM 1794 CA THR A 256 4.208 68.494 70.184 1.00 55.78 A
ATOM 1795 CB THR A 256 3.551 67.363 69.375 1.00 57.93 A
ATOM 1796 OGl THR A 256 2.382 67.878 68.724 1.00 56.03 A
ATOM 1797 CG2 THR A 256 3.158 66.205 70.271 1.00 61.31 A
ATOM 1798 C THR A 256 5.239 67.918 71.150 1.00 58.69 A
ATOM 1799 O THR A 256 4.895 67.183 72.082 1.00 60.16 A
ATOM 1800 N GLY A 257 6.505 68.261 70.939 1.00 55.35 A
ATOM 1801 CA GLY A 257 7.539 67.762 71.822 1.00 54.66 A
ATOM 1802 C GLY A 257 8.953 68.135 71.422 1.00 57.28 A
ATOM 1803 O GLY A 257 9.225 68.474 70.269 1.00 56.74 A
ATOM 1804 N VAL A 258 9.860 68.055 72.389 1.00 57.31 A
ATOM 1805 CA VAL A 258 11.262 68.380 72.168 1.00 54.76 A
ATOM 1806 CB VAL A 258 11.604 69.769 72.763 1.00 52.10 A
ATOM 1807 CGl VAL A 258 13.063 70.095 72.540 1.00 51.30 A
ATOM 1808 CG2 VAL A 258 10.729 70.830 72.129 1.00 54.32 A
ATOM 1809 C VAL A 258 12.103 67.318 72.859 1.00 53.27 A
ATOM 1810 O VAL A 258 11.817 66.944 73.989 1.00 54.78 A
ATOM 1811 N GLU A 259 13.134 66.829 72.176 1.00 54.87 A
ATOM 1812 CA GLU A 259 14.009 65.810 72.743 1.00 53.75 A
ATOM 1813 CB GLU A 259 13.712 64.441 72.134 1.00 55.42 A
ATOM 1814 CG GLU A 259 13.888 64.398 70.626 1.00 71.04 A
ATOM 1815 CD GLU A 259 13.854 62.988 70.061 1.00 74.74 A
ATOM 1816 OEl GLU A 259 14.815 62.227 70.309 1.00 72.90 A
ATOM 1817 OE2 GLU A 259 12.868 62.642 69.372 1.00 81.09 A
ATOM 1818 C GLU A 259 15.488 66.112 72.546 1.00 56.68 A
ATOM 1819 O GLU A 259 15.879 66.985 71.765 1.00 54.94 A
ATOM 1820 N MET A 260 16.306 65.355 73.260 1.00 59.00 A
ATOM 1821 CA MET A 260 17.751 65.496 73.204 1.00 63.43 A
ATOM 1822 CB MET A 260 18.190 66.448 74.315 1.00 67.18 A
ATOM 1823 CG MET A 260 19.405 67.295 74.014 1.00 63.31 A ATOM 1824 SD MET A 260 19.449 68.687 75.156 1.00 67.26 A
ATOM 1825 CE MET A 260 19.913 67.875 76.673 1.00 62.66 A
ATOM 1826 C MET A 260 18.302 64.087 73.434 1.00 66.89 A
ATOM 1827 O MET A 260 17.551 63.182 73.795 00 64.41 A
ATOM 1828 N PHE A 261 19.596 63.886 73.219 00 72.40 A
ATOM 1829 CA PHE A 261 20.172 62.562 73.432 00 77.92 A
ATOM 1830 CB PHE A 261 21.680 62.570 73.158 00 80.44 A
ATOM 1831 CG PHE A 261 22.364 61.257 73.457 00 82.28 A
ATOM 1832 CDl PHE A 261 21.991 60.091 72.788 1.00 82.69 A
ATOM 1833 CD2 PHE A 261 23.378 61.186 74.412 1.00 83.15 A
ATOM 1834 CEl PHE A 261 22.614 58. -875 73.064 1.00 78.98 A
ATOM 1835 CE2 PHE A 261 24.007 59.976 74.696 1.00 80.43 A
ATOM 1836 CZ PHE A 261 23.623 58.818 74.020 1.00 81.71 A
ATOM 1837 C PHE A 261 19.928 62.081 74.862 1.00 79.86 A
ATOM 1838 O PHE A 261 20.442 62.665 75.820 1.00 78.42 A
ATOM 1839 N ARG A 262 19.130 61.024 74.994 1.00 82.66 A
ATOM 1840 CA ARG A 262 18.830 60.431 76.295 1.00 83.78 A
ATOM 1841 CB ARG A 262 20.144 60.028 76.978 1.00 88.58 A
ATOM 1842 CG ARG A 262 20.983 59.031 76.179 1.00 93.24 A
ATOM 1843 CD ARG A 262 20.622 57.596 76.524 1.00 99.18 A
ATOM 1844 NE ARG A 262 20.927 57.299 77.924 00105.00 A
ATOM 1845 CZ ARG A 262 20.665 56.141 78.527 00105.17 A
ATOM 1846 NHl ARG A 262 20.085 55.153 77.856 00105.06 A
ATOM 1847 NH2 ARG A 262 20.984 55.973 79.805 00102.25 A
ATOM 1848 C ARG A 262 17.998 61.299 77.251 1.00 81.74 A
ATOM 1849 O ARG A 262 18.288 61.348 78.450 1.00 78.85 A
ATOM 1850 N LYS A 263 16.974 61.979 76.725 1.00 79.54 A
ATOM 1851 CA LYS A 263 16.093 62.812 77.552 1.00 77.67 A
ATOM 1852 CB LYS A 263 16.912 63.784 78.417 1.00 77.76 A
ATOM 1853 CG LYS A 263 17.616 64.887 77.658 1.00 80.68 A
ATOM 1854 CD LYS A 263 18.312 65.846 78.611 1.00 83.52 A
ATOM 1855 CE LYS A 263 19.494 65.191 79.309 1.00 86.26 A
ATOM 1856 NZ LYS A 263 20.229 66.146 80.189 1.00 84.21 A
ATOM 1857 C LYS A 263 15.018 63.599 76.787 1.00 75.55 A
ATOM 1858 O LYS A 263 15.199 63.970 75.624 1.00 75.00 A
ATOM 1859 N LEU A 264 13.891 63.833 77.458 1.00 70.22 A
ATOM 1860 CA LEU A 264 12.774 64.577 76.893 1.00 67.88 A
ATOM 1861 CB LEU A 264 11.462 63.816 77.082 1.00 70.85 A
ATOM 1862 CG LEU A 264 11.267 62.528 76.278 1.00 75.48 A
ATOM 1863 CDl LEU A 264 12.300 61.493 76.684 1.00 77.67 A
ATOM 1864 CD2 LEU A 264 9.864 61.994 76.521 1.00 81.24 A
ATOM 1865 C LEU A 264 12.694 65.911 77.612 1.00 64.20 A
ATOM 1866 O LEU A 264 12.933 65.985 78.815 1.00 58.25 A
ATOM 1867 N LEU A 265 12.354 66.960 76.872 1.00 61.12 A
ATOM 1868 CA LEU A 265 12.265 68.296 77.444 1.00 59.53 A
ATOM 1869 CB LEU A 265 13.408 69.148 76.898 1.00 60.77 A
ATOM 1870 CG LEU A 265 14.804 68.565 77.135 1.00 60.72 A
ATOM 1871 CDl LEU A 265 15.831 69.257 76.252 1.00 64.44 A
ATOM 1872 CD2 LEU A 265 15.153 68.706 78.609 1.00 61.44 A
ATOM 1873 C LEU A 265 10.936 68.962 77.126 1.00 59.66 A
ATOM 1874 O LEU A 265 10.093 68.394 76.431 1.00 56.62 A
ATOM 1875 N ASP A 266 10.754 70.170 77.646 1.00 61.56 A
ATOM 1876 CA ASP A 266 9.537 70.935 77.402 1.00 63.85 A
ATOM 1877 CB ASP A 266 8.927 71.407 78.723 1.00 67.08 A
ATOM 1878 CG ASP A 266 8.513 70.254 79.617 1.00 77.59 A
ATOM 1879 ODl ASP A 266 7.607 69.484 79.221 1.00 81.45 A
ATOM 1880 OD2 ASP A 266 9.097 70.117 80.716 1.00 82.12 A
ATOM 1881 C ASP A 266 9.881 72.145 76.544 1.00 62.37 A
ATOM 1882 O ASP A 266 8.993 72.847 76.056 1.00 63.39 A ATOM 1883 N GLU A 267 11.180 72.376 76.362 1.00 60.15 A
ATOM 1884 CA GLU A 267 11.664 73.511 75.588 1.00 59.93 A
ATOM 1885 CB GLU A 267 11.976 74.695 76.502 1.00 61.19 A
ATOM 1886 CG GLU A 267 10.856 75.200 77.366 1.00 65.11 A
ATOM 1887 CD GLU A 267 11.331 76.322 78.271 1.00 67.08 A
ATOM 1888 OEl GLU A 267 10.495 76.910 78.994 1.00 66.72 A
ATOM 1889 OE2 GLU A 267 12.550 76.609 78.257 1.00 60.00 A
ATOM 1890 C GLU A 267 12.947 73.221 74.830 1.00 59.63 A
ATOM 1891 O GLU A 267 13.717 72.332 75.189 1.00 58.40 A
ATOM 1892 N GLY A 268 13.172 74.018 73.792 1.00 57.08 A
ATOM 1893 CA GLY A 268 14.380 73.918 72.998 1.00 51.04 A
ATOM 1894 C GLY A 268 14.973 75.311 73.080 1.00 45.66 A
ATOM 1895 O GLY A 268 14.350 76.259 72.607 1.00 48.22 A
ATOM 1896 N ARG A 269 16.151 75.448 73.682 1.00 38.38 A
ATOM 1897 CA ARG A 269 16.781 76.760 73.837 1.00 42.02 A
ATOM 1898 CB ARG A 269 17.268 76.929 75.274 1.00 48.63 A
ATOM 1899 CG ARG A 269 16.228 76.585 76.325 1.00 53.67 A
ATOM 1900 CD ARG A 269 16.844 76.617 77.700 1.00 56.62 A
ATOM 1901 NE ARG A 269 16.895 77.970 78.227 1.00 63.94 A
ATOM 1902 CZ ARG A 269 15.875 78.558 78.840 1.00 74.10 A
ATOM 1903 NHl ARG A 269 14.729 77.900 78.999 1.00 76.90 A
ATOM 1904 NH2 ARG A 269 16.002 79.799 79.294 1.00 71.54 A
ATOM 1905 C ARG A 269 17.945 77.039 72.885 1.00 43.67 A
ATOM 1906 O ARG A 269 18.646 76.121 72.447 1.00 42.41 A
ATOM 1907 N ALA A 270 18.147 78.323 72.588 1.00 38.84 A
ATOM 1908 CA ALA A 270 19.212 78.766 71.691 1.00 41.31 A
ATOM 1909 CB ALA A 270 19.302 80.289 71.693 1.00 39.36 A
ATOM 1910 C ALA A 270 20.553 78.167 72.092 1.00 38.84 A
ATOM 1911 O ALA A 270 20.963 78.267 73.247 1.00 39.31 A
ATOM 1912 N GLY A 271 21.226 77.550 71.125 1.00 37.27 A
ATOM 1913 CA GLY A 271 22.509 76.927 71.378 1.00 37.62 A
ATOM 1914 C GLY A 271 22.397 75.428 71.588 1.00 40.28 A
ATOM 1915 O GLY A 271 23.408 74.733 71.581 1.00 41.33 A
ATOM 1916 N GLU A 272 21.174 74.926 71.759 1.00 41.80 A
ATOM 1917 CA GLU A 272 20.948 73.492 71.983 1.00 43.09 A
ATOM 1918 CB GLU A 272 19.823 73.293 73.010 1.00 33.45 A
ATOM 1919 CG GLU A 272 20.197 73.792 74.389 1.00 36.23 A
ATOM 1920 CD GLU A 272 19.045 73.769 75.390 1.00 41.59 A
ATOM 1921 OEl GLU A 272 19.283 74.110 76.570 1.00 41.99 A
ATOM 1922 OE2 GLU A 272 17.909 73.420 75.010 1.00 37.88 A
ATOM 1923 C GLU A 272 20.623 72.684 70.727 1.00 40.52 A
ATOM 1924 O GLU A 272 19.885 73.147 69.860 1.00 45.43 A
ATOM 1925 N ASN A 273 21.190 71.479 70.644 1.00 41.12 A
ATOM 1926 CA ASN A 273 20.948 70.571 69.526 1.00 39.19 A
ATOM 1927 CB ASN A 273 22.186 69.715 69.263 1.00 43.18 A
ATOM 1928 CG ASN A 273 23.412 70.556 68.944 1.00 45.14 A
ATOM 1929 ODl ASN A 273 24.057 71.099 69.843 1.00 43.65 A
ATOM 1930 ND2 ASN A 273 23.724 70.686 67.657 1.00 40.09 A
ATOM 1931 C ASN A 273 19.771 69.700 69.948 1.00 38.09 A
ATOM 1932 O ASN A 273 19.842 68.987 70.946 1.00 38.42 A
ATOM 1933 N VAL A 274 18.690 69.752 69.182 1.00 41.74 A
ATOM 1934 CA VAL A 274 17.490 69.015 69.545 1.00 38.49 A
ATOM 1935 CB VAL A 274 16.472 69.954 70.224 1.00 35.94 A
ATOM 1936 CGl VAL A 274 17.113 70.700 71.367 1.00 20.42 A
ATOM 1937 CG2 VAL A 274 15.926 70.943 69.195 1.00 32.49 A
ATOM 1938 C VAL A 274 16.748 68.348 68.398 1.00 41.98 A
ATOM 1939 O VAL A 274 17.168 68.377 67.237 1.00 48.56 A
ATOM 1940 N GLY A 275 15.629 67.739 68.772 1.00 42.83 A
ATOM 1941 CA GLY A 275 14.741 67.088 67.836 1.00 43.91 A ATOM 1942 C GLY A 275 13.410 67.703 68.215 1.00 49.44 A
ATOM 1943 O GLY A 275 13.110 67.802 69.406 1.00 49.08 A
ATOM 1944 N VAL A 276 12.629 68.141 67.234 1.00 53.39 A
ATOM 1945 CA VAL A 276 11.340 68.766 67.515 1.00 52.78 A
ATOM 1946 CB VAL A 276 11.327 70.255 67.046 1.00 49.74 A
ATOM 1947 CGl VAL A 276 9.985 70.899 67.356 1.00 39.09 A
ATOM 1948 CG2 VAL A 276 12.445 71.025 67.723 1.00 45.04 A
ATOM 1949 C VAL A 276 10.204 68.017 66.826 1.00 53.93 A
ATOM 1950 O VAL A 276 10.175 67.909 65.598 1.00 54.78 A
ATOM 1951 N LEU A 277 9.269 67.507 67.626 1.00 58.31 A
ATOM 1952 CA LEU A 277 8.111 66.780 67.105 1.00 56.58 A
ATOM 1953 CB LEU A 277 7.526 65.873 68.190 1.00 59.73 A
ATOM 1954 CG LEU A 277 6.326 65.014 67.774 1.00 68.26 A
ATOM 1955 CDl LEU A 277 6.736 64.077 66.646 1.00 66.80 A
ATOM 1956 CD2 LEU A 277 5.819 64.217 68.966 1.00 64.41 A
ATOM 1957 C LEU A 277 7.044 67.759 66.627 1.00 54.40 A
ATOM 1958 O LEU A 277 6.729 68.729 67.315 1.00 54.80 A
ATOM 1959 N LEU A 278 6.497 67.500 65.444 1.00 56.64 A
ATOM 1960 CA LEU A 278 5.473 68.360 64.861 1.00 61.80 A
ATOM 1961 CB LEU A 278 5.986 68.961 63.553 1.00 60.64 A
ATOM 1962 CG LEU A 278 7.274 69.778 63.633 1.00 57.28 A
ATOM 1963 CDl LEU A 278 7.710 70.189 62.236 1.00 53.23 A
ATOM 1964 CD2 LEU A 278 7.040 70.997 64.517 1.00 58.17 A
ATOM 1965 C LEU A 278 4.202 67.562 64.583 1.00 70.50 A
ATOM 1966 O LEU A 278 4.274 66.405 64.158 1.00 72.25 A
ATOM 1967 N ARG A 279 3.042 68.180 64.811 1.00 75.65 A
ATOM 1968 CA ARG A 279 1.772 67.501 64.580 1.00 77.23 A
ATOM 1969 CB ARG A 279 0.746 67.852 65.670 1.00 79.20 A
ATOM 1970 CG ARG A 279 -0.102 69.099 65.390 1.00 79.88 A
ATOM 1971 CD ARG A 279 -1.545 68.923 65.889 1.00 77.14 A
ATOM 1972 NE ARG A 279 -1.636 68.821 67.347 1.00 78.01 A
ATOM 1973 CZ ARG A 279 -1.712 69.862 68.171 1.00 75.36 A
ATOM 1974 NHl ARG A 279 -1.785 69.666 69.481 1.00 73.84 A
ATOM 1975 NH2 ARG A 279 -1.733 71.097 67.688 1.00 75.11 A
ATOM 1976 C ARG A 279 1.175 67.836 63.219 1.00 79.87 A
ATOM 1977 O ARG A 279 1.251 68.978 62.753 1.00 79.47 A
ATOM 1978 N GLY A 280 0.588 66.821 62.591 1.00 79.49 A
ATOM 1979 CA GLY A 280 -0.055 67.005 61.305 1.00 80.33 A
ATOM 1980 C GLY A 280 0.839 67.285 60.117 1.00 79.41 A
ATOM 1981 O GLY A 280 0.406 67.925 59.156 1.00 80.68 A
ATOM 1982 N ILE A 281 2.083 66.828 60.171 1.00 75.88 A
ATOM 1983 CA ILE A 281 2.989 67.035 59.052 1.00 74.70 A
ATOM 1984 CB ILE A 281 4.016 68.156 59.332 1.00 72.76 A
ATOM 1985 CG2 ILE A 281 5.197 68.040 58.389 1.00 73.46 A
ATOM 1986 CGl ILE A 281 . 3.344 69.518 59.140 1.00 75.96 A
ATOM 1987 CDl ILE A 281 4.301 70.696 59.154 1.00 81.52 A
ATOM 1988 C ILE A 281 3.699 65.743 58.701 1.00 74.11 A
ATOM 1989 O ILE A 281 4.343 65.115 59.537 1.00 69.97 A
ATOM 1990 N LYS A 282 3.560 65.353 57.443 1.00 77.95 A
ATOM 1991 CA LYS A 282 4.151 64.127 56.942 1.00 81.29 A
ATOM 1992 CB LYS A 282 3.336 63.640 55.736 1.00 86.58 A
ATOM 1993 CG LYS A 282 1.861 63.402 56.070 1.00 91.69 A
ATOM 1994 CD LYS A 282 1.008 63.130 54.836 1.00 96.94 A
ATOM 1995 CE LYS A 282 -0.457 62.931 55.225 1.00 99.99 A
ATOM 1996 NZ LYS A 282 -1.358 62.769 54.046 1.00 98.71 A
ATOM 1997 C LYS A 282 5.629 64.276 56.582 1.00 79.55 A
ATOM 1998 O LYS A 282 6.068 65.316 56.085 1.00 77.43 A
ATOM 1999 N ARG A 283 6.381 63.213 56.847 1.00 79.11 A
ATOM 2000 CA ARG A 283 7.815 63.144 56.590 1.00 78.21 A ATOM 2001 CB ARG A 283 8.266 61.677 56.684 1.00 80.99 A
ATOM 2002 CG ARG A 283 9.759 61.452 56.918 1.00 85.55 A
ATOM 2003 CD ARG A 283 10.598 61.912 55.738 1.00 93.96 A
ATOM 2004 NE ARG A 283 12.031 61.752 55.975 1.00 99.99 A
ATOM 2005 CZ ARG A 283 12.981 62.267 55.198 1.00102.23 A
ATOM 2006 NHl ARG A 283 12.655 62.983 54.127 1.00101.56 A
ATOM 2007 NH2 ARG A 283 14.259 62.069 55.494 1.00103.91 A
ATOM 2008 C ARG A 283 8.224 63.738 55.237 1.00 77.34 A
ATOM 2009 O ARG A 283 9.240 64.424 55.139 1.00 79.85 A
ATOM 2010 N GLU A 284 7.439 63.484 54.197 1.00 74.85 A
ATOM 2011 CA GLU A 284 7.770 63.997 52.873 1.00 78.57 A
ATOM 2012 CB GLU A 284 7.286 63.020 51.790 1.00 82.85 A
ATOM 2013 CG GLU A 284 5.860 62.503 51.961 1.00 89.93 A
ATOM 2014 CD GLU A 284 5.725 61.532 53.123 1.00 94.17 A
ATOM 2015 OEl GLU A 284 6.540 60.588 53.204 1.00 97.91 A
ATOM 2016 OE2 GLU A 284 4.806 61.704 53.951 1.00 94.44 A
ATOM 2017 C GLU A 284 7.261 65.405 52.563 1.00 76.94 A
ATOM 2018 O GLU A 284 7.057 65.750 51.403 1.00 79.57 A
ATOM 2019 N GLU A 285 7.061 66.219 53.592 1.00 75.99 A
ATOM 2020 CA GLU A 285 6.592 67.587 53.388 1.00 75.35 A
ATOM 2021 CB GLU A 285 5.235 67.797 54.068 1.00 75.20 A
ATOM 2022 CG GLU A 285 4.072 67.070 53.384 1.00 80.09 A
ATOM 2023 CD GLU A 285 2.722 67.352 54.040 1.00 85.00 A
ATOM 2024 OEl GLU A 285 2.525 66.944 55.207 1.00 81.02 A
ATOM 2025 OE2 GLU A 285 1.857 67.984 53.390 1.00 86.47 A
ATOM 2026 C GLU A 285 7.619 68.583 53.926 1.00 73.52 A
ATOM 2027 O GLU A 285 7.551 69.783 53.642 1.00 72.39 A
ATOM 2028 N ILE A 286 8.576 68.065 54.693 1.00 70.14 A
ATOM 2029 CA ILE A 286 9.639 68.876 55.282 1.00 66.85 A
ATOM 2030 CB ILE A 286 9.625 68.809 56.822 1.00 66.86 A
ATOM 2031 CG2 ILE A 286 10.809 69.583 57.383 1.00 66.86 A
ATOM 2032 CGl ILE A 286 8.323 69.386 57.370 1.00 71.46 A
ATOM 2033 CDl ILE A 286 8.267 69.403 58.885 1.00 67.19 A
ATOM 2034 C ILE A 286 11.002 68.372 54.830 1.00 63.32 A
ATOM 2035 O ILE A 286 11.265 67.174 54.872 1.00 58.00 A
ATOM 2036 N GLU A 287 11.873 69.283 54.408 1.00 62.16 A
ATOM 2037 CA GLU A 287 13.202 68.874 53.982 1.00 58.66 A
ATOM 2038 CB GLU A 287 13.285 68.800 52.455 1.00 59.60 A
ATOM 2039 CG GLU A 287 12.920 70.066 51.725 1.00 60.33 A
ATOM 2040 CD GLU A 287 13.006 69.885 50.224 1.00 67.09 A
ATOM 2041 OEl GLU A 287 14.110 69.577 49.725 1.00 68.36 A
ATOM 2042 OE2 GLU A 287 11.974 70.041 49.538 1.00 71.96 A
ATOM 2043 C GLU A 287 14.332 69.737 54.513 1.00 55.91 A
ATOM 2044 O GLU A 287 14.127 70.858 54.980 1.00 56.26 A
ATOM 2045 N ARG A 288 15.532 69.174 54.443 1.00 52.51 A
ATOM 2046 CA ARG A 288 16.754 69.824 54.891 1.00 50.93 A
ATOM 2047 CB ARG A 288 17.946 68.931 54.529 1.00 46.95 A
ATOM 2048 CG ARG A 288 19.270 69.313 55.139 1.00 47.62 A
ATOM 2049 CD ARG A 288 20.231 68.127 55.084 1.00 56.78 A
ATOM 2050 NE ARG A 288 21.349 68.288 56.009 1.00 62.08 A
ATOM 2051 CZ ARG A 288 22.425 69.023 55.757 1.00 67.55 A
ATOM 2052 NHl ARG A 288 22.534 69.656 54.598 1.00 72.89 A
ATOM 2053 NH2 ARG A 288 23.380 69.147 56.671 1.00 71.59 A
ATOM 2054 C ARG A 288 16.886 71.189 54.217 1.00 48.27 A
ATOM 2055 O ARG A 288 16.669 71.315 53.016 1.00 43.89 A
ATOM 2056 N GLY A 289 17.233 72.210 54.994 1.00 47.07 A
ATOM 2057 CA GLY A 289 17.388 73.531 54.416 1.00 51.02 A
ATOM 2058 C GLY A 289 16.293 74.491 54.829 1.00 43.58 A
ATOM 2059 O GLY A 289 16.520 75.694 54.908 1.00 44.53 A ATOM 2060 N GLN A 290 15.098 73.963 55.065 .00 42.01 A
ATOM 2061 CA GLN A 290 13.991 74.792 55.507 .00 41.03 A
ATOM 2062 CB GLN A 290 12.668 74.029 55.426 .00 44.10 A
ATOM 2063 CG GLN A 290 12.157 73.774 54.018 .00 47.04 A
ATOM 2064 CD GLN A 290 10.810 73.068 54.018 , 00 52.01 A
ATOM 2065 OEl GLN A 290 10.689 71.934 54.484 .00 53.89 A
ATOM 2066 NE2 GLN A 290 9.791 73.740 53.500 .00 56.73 A
ATOM 2067 C GLN A 290 14.292 75.120 56.958 .00 40.65 A
ATOM 2068 O GLN A 290 15.152 74.492 57.573 .00 43.10 A
ATOM 2069 N VAL A 291 13.593 76.099 57.511 .00 40.31 A
ATOM 2070 CA VAL A 291 13.817 76.456 58.898 1.00 37.84 A
ATOM 2071 CB VAL A 291 14.385 77.889 59.028 00 35.79 A
ATOM 2072 CGl VAL A 291 15.645 78.026 58.191 00 30.99 A
ATOM 2073 CG2 VAL A 291 13.334 78.909 58.594 00 31.31 A
ATOM 2074 C VAL A 291 12.498 76.396 59.657 00 41.90 A
ATOM 2075 O VAL A 291 11.423 76.508 59.063 00 38.22 A
ATOM 2076 N LEU A 292 12.594 76.191 60.964 00 34.05 A
ATOM 2077 CA LEU A 292 11.426 76.173 61.832 00 38.73 A
ATOM 2078 CB LEU A 292 11.575 75.108 62.911 00 36.66 A
ATOM 2079 CG LEU A 292 10.419 74.127 63.090 00 41.91 A
ATOM 2080 CDl LEU A 292 10.121 73.438 61.764 00 30.55 A
ATOM 2081 CD2 LEU A 292 10.790 73.100 64.173 00 37.65 A
ATOM 2082 C LEU A 292 11.497 77.550 62.466 1.00 37.48 A
ATOM 2083 O LEU A 292 12.577 77.968 62.884 00 34.95 A
ATOM 2084 N ALA A 293 10.378 78.264 62.532 00 37.02 A
ATOM 2085 CA ALA A 293 10.409 79.601 63.111 00 38.43 A
ATOM 2086 CB ALA A 293 10.875 80.605 62.053 00 31.48 A
ATOM 2087 C ALA A 293 9.103 80.078 63.725 00 38.73 A
ATOM 2088 O ALA A 293 8.029 79.542 63.450 00 39.41 A
ATOM 2089 N LYS A 294 9.219 81.087 64.579 00 39.63 A
ATOM 2090 CA LYS A 294 8.057 81.697 65.210 00 47.54 A
ATOM 2091 CB LYS A 294 8.511 82.807 66.169 00 45.73 A
ATOM 2092 CG LYS A 294 7.397 83.563 66.860 00 48.32 A
ATOM 2093 CD LYS A 294 7.974 84.583 67.828 00 53.28 A
ATOM 2094 CE LYS A 294 6.912 85.550 68.320 00 58.93 A
ATOM 2095 NZ LYS A 294 5.755 84.819 68.900 00 62.43 A
ATOM 2096 C LYS A 294 7.239 82.282 64.048 00 46.28 A
ATOM 2097 O LYS A 294 7.772 82.990 63.189 00 44.36 A
ATOM 2098 N PRO A 295 .940 81.977 64.003 00 45.57 A
ATOM 2099 CD PRO A 295 .201 81.163 64.987 1.00 44.87 A
ATOM 2100 CA PRO A 295 .047 82.461 62.948 .00 47.87 A
ATOM 2101 CB PRO A 295 .668 82.144 63.510 .00 49.02 A
ATOM 2102 CG PRO A 295 .918 80.865 64.254 .00 44.07 A
ATOM 2103 C PRO A 295 5.207 83.938 62.569 .00 51.21 A
ATOM 2104 O PRO A 295 5.218 84.815 63.433 , 00 51.87 A
ATOM 2105 N GLY A 296 5.341 84.191 61.268 .00 48.00 A
ATOM 2106 CA GLY A 296 5.476 85.545 60.762 .00 48.45 A
ATOM 2107 C GLY A 296 6.743 86.315 61.100 .00 54.71 A
ATOM 2108 O GLY A 296 6.743 87.547 61.043 1.00 57.98 A
ATOM 2109 N THR A 297 7.828 85.623 61.435 00 52.56 A
ATOM 2110 CA THR A 297 9.063 86.320 61.771 00 45.72 A
ATOM 2111 CB THR A 297 9.645 85.829 63.111 00 47.00 A
ATOM 2112 OGl THR A 297 9.857 84.410 63.061 00 43.12 A
ATOM 2113 CG2 THR A 297 8.686 86.179 64.256 00 37.81 A
ATOM 2114 C THR A 297 10.134 86.219 60.701 00 47.24 A
ATOM 2115 O THR A 297 11.139 86.929 60.758 00 49.40 A
ATOM 2116 N ILE A 298 9.932 85.338 59.728 00 40.66 A
ATOM 2117 CA ILE A 298 10.902 85.205 58.650 00 45.54 A
ATOM 2118 CB ILE A 298 12.031 84.181 58.996 1.00 47.55 A ATOM 2119 CG2 ILE A 298 11.524 82.760 58.866 1.00 44.84 A
ATOM 2120 CGl ILE A 298 13.214 84.368 58.036 1.00 48.56 A
ATOM 2121 CDl ILE A 298 14.492 83.690 58.490 1.00 45.45 A
ATOM 2122 C ILE A 298 10.195 84.800 57.362 1.00 46.56 A
ATOM 2123 O ILE A 298 9.256 83.996 57.382 1.00 40.87 A
ATOM 2124 N LYS A 299 10.643 85.370 56.245 1.00 50.19 A
ATOM 2125 CA LYS A 299 10.038 85.093 54.940 1.00 53.77 A
ATOM 2126 CB LYS A 299 9.516 86.397 54.313 1.00 56.97 A
ATOM 2127 CG LYS A 299 8.490 87.160 55.142 1.00 57.73 A
ATOM 2128 CD LYS A 299 7.180 86.402 55.263 1.00 59.38 A
ATOM 2129 CE LYS A 299 6.166 87.182 56.101 1.00 64.75 A
ATOM 2130 NZ LYS A 299 4.891 86.430 56.297 1.00 65.78 A
ATOM 2131 C LYS A 299 10.992 84.424 53.945 1.00 53.39 A
ATOM 2132 O LYS A 299 12.218 84.527 54.064 1.00 49.25 A
ATOM 2133 N PRO A 300 10.430 83.717 52.947 1.00 52.92 A
ATOM 2134 CD PRO A 300 9.016 83.305 52.862 1.00 47.58 A
ATOM 2135 CA PRO A 300 11.222 83.035 51.924 1.00 49.66 A
ATOM 2136 CB PRO A 300 10.301 81.907 51.488 1.00 46.36 A
ATOM 2137 CG PRO A 300 8.972 82.547 51.547 1.00 45.04 A
ATOM 2138 C PRO A 300 11.533 84.007 50.789 1.00 52.92 A
ATOM 2139 O PRO A 300 10.668 84.779 50.374 1.00 56.00 A
ATOM 2140 N HIS A 301 12.767 83.977 50.297 1.00 52.17 A
ATOM 2141 CA HIS A 301 13.170 84.869 49.216 1.00 50.75 A
ATOM 2142 CB HIS A 301 13.963 86.059 49.768 1.00 53.48 A
ATOM 2143 CG HIS A 301 13.138 87.017 50.573 1.00 61.44 A
ATOM 2144 CD2 HIS A 301 13.140 87.302 51.897 1.00 62.50 A
ATOM 2145 NDl HIS A 301 12.157 87.808 50.014 1.00 62.46 A
ATOM 2146 CEl HIS A 301 11.590 88.539 50.958 1.00 62.78 A
ATOM 2147 NE2 HIS A 301 12.169 88.251 52.110 1.00 66.92 A
ATOM 2148 C HIS A 301 14.008 84.146 48.174 1.00 50.07 A
ATOM 2149 O HIS A 301 14.744 83.213 48.491 1.00 47.73 A
ATOM 2150 N THR A 302 13.897 84.600 46.931 1.00 48.92 A
ATOM 2151 CA THR A 302 14.630 84.015 45.818 1.00 51.24 A
ATOM 2152 CB THR A 302 13.681 83.697 44.657 1.00 53.58 A
ATOM 2153 OGl THR A 302 12.684 82.766 45.096 1.00 64.33 A
ATOM 2154 CG2 THR A 302 14.448 83.109 43.489 1.00 60.88 A
ATOM 2155 C THR A 302 15.708 84.957 45.288 1.00 51.23 A
ATOM 2156 O THR A 302 16.735 84.515 44.770 1.00 50.14 A
ATOM 2157 N LYS A 303 15.468 86.257 45.419 1.00 50.43 A
ATOM 2158 CA LYS A 303 16.398 87.261 44.918 1.00 49.11 A
ATOM 2159 CB LYS A 303 15.706 88.067 43.813 1.00 51.38 A
ATOM 2160 CG LYS A 303 16.608 88.952 42.974 1.00 54.89 A
ATOM 2161 CD LYS A 303 15.831 89.453 41.751 1.00 60.78 A
ATOM 2162 CE LYS A 303 16.725 90.212 40.774 1.00 64.23 A
ATOM 2163 NZ LYS A 303 16.032 90.506 39.480 1.00 63.98 A
ATOM 2164 C LYS A 303 16.844 88.173 46.058 1.00 47.08 A
ATOM 2165 O LYS A 303 16.063 88.475 46.963 1.00 41.74 A
ATOM 2166 N PHE A 304 18.101 88.609 46.015 1.00 39.72 A
ATOM 2167 CA PHE A 304 18.627 89.469 47.063 1.00 41.26 A
ATOM 2168 CB PHE A 304 18.842 88.647 48.348 1.00 39.57 A
ATOM 2169 CG PHE A 304 19.910 87.586 48.224 1.00 41.62 A
ATOM 2170 CDl PHE A 304 21.257 87.906 48.406 1.00 33.66 A
ATOM 2171 CD2 PHE A 304 19.569 86.270 47.906 1.00 37.21 A
ATOM 2172 CEl PHE A 304 22.248 86.933 48.275 1.00 42.93 A
ATOM 2173 CE2 PHE A 304 20.550 85.287 47.770 1.00 36.17 A
ATOM 2174 CZ PHE A 304 21.895 85.618 47.955 1.00 44.08 A
ATOM 2175 C PHE A 304 19.930 90.137 46.647 1.00 42.38 A
ATOM 2176 O PHE A 304 20.601 89.693 45.712 1.00 46.17 A
ATOM 2177 N GLU A 305 20.277 91.214 47.342 1.00 42.50 A ATOM 2178 CA GLU A 305 21.509 91.942 47.063 00 50.35 A
ATOM 2179 CB GLU A 305 21.273 93.455 47.107 00 50.03 A
ATOM 2180 CG GLU A 305 20.275 93.973 46.084 00 59.50 A
ATOM 2181 CD GLU A 305 20.098 95.480 46.163 00 64.04 A
ATOM 2182 OEl GLU A 305 19.256 96.021 45.412 00 67.69 A
ATOM 2183 OE2 GLU A 305 20.804 96.122 46.974 00 61.68 A
ATOM 2184 C GLU A 305 22.510 91.566 48.137 00 46.48 A
ATOM 2185 O GLU A 305 22.129 91.243 49.254 1.00 47.51 A
ATOM 2186 N SER A 306 23.791 91.608 47.821 1.00 44.80 A
ATOM 2187 CA SER A 306 24.756 91.252 48.839 1.00 49.14 A
ATOM 2188 CB SER A 306 24.877 89.726 48.932 1.00 52.56 A
ATOM 2189 OG SER A 306 25.308 89.164 47.702 .00 50.87 A
ATOM 2190 C SER A 306 26.123 91.847 48.607 .00 50.14 A
ATOM 2191 O SER A 306 26.462 92.255 47.495 .00 51.54 A
ATOM 2192 N GLU A 307 26.890 91.912 49.689 .00 53.26 A
ATOM 2193 CA GLU A 307 28.261 92.396 49.657 .00 57.68 A
ATOM 2194 CB GLU A 307 28.559 93.329 50.841 .00 64.46 A
ATOM 2195 CG GLU A 307 28.564 94.834 50.514 .00 76.24 A
ATOM 2196 CD GLU A 307 27.180 95.463 50.565 .00 82.57 A
ATOM 2197 OEl GLU A 307 26.511 95.323 51.613 .00 84.51 A
ATOM 2198 OE2 GLU A 307 26.766 96.102 49.569 .00 83.61 A
ATOM 2199 C GLU A 307 29.041 91.103 49.813 .00 55.95 A
ATOM 2200 O GLU A 307 28.969 90.448 50.856 .00 53.54 A
ATOM 2201 N VAL A 308 29.765 90.716 48.773 .00 53.32 A
ATOM 2202 CA VAL A 308 30.512 89.474 48.833 .00 45.94
ATOM 2203 CB VAL A 308 30.011 88.479 47.753 1.00 45.02 A
ATOM 2204 CGl VAL A 308 30.646 87.115 47.966 1.00 42.57 A
ATOM 2205 CG2 VAL A 308 28.489 88.381 47.799 1.00 39.97 A
ATOM 2206 C VAL A 308 31.999 89.684 48.640 1.00 44.62 A
ATOM 2207 O VAL A 308 32.427 90.547 47.873 1.00 44.38 A
ATOM 2208 N TYR A 309 32.786 88.901 49.364 00 42.51 A
ATOM 2209 CA TYR A 309 34.230 88.963 49.227 00 44.74 A
ATOM 2210 CB TYR A 309 34.918 89.014 50.590 00 39.65 A
ATOM 2211 CG TYR A 309 36.402 88.763 50.502 00 37.00 A
ATOM 2212 CDl TYR A 309 36.951 87.551 50.923 00 34.97 A
ATOM 2213 CEl TYR A 309 38.314 87.294 50.799 00 36.77 A
ATOM 2214 CD2 TYR A 309 37.255 89.717 49.951 00 38.02 A
ATOM 2215 CE2 TYR A 309 38.620 89.470 49.815 00 39.13 A
ATOM 2216 CZ TYR A 309 39.142 88.257 50.243 00 40.42 A
ATOM 2217 OH TYR A 309 40.488 88.010 50.110 00 43.97 A
ATOM 2218 C TYR A 309 34.644 87.700 48.491 00 45.89 A
ATOM 2219 O TYR A 309 34.293 86.590 48.903 00 51.08 A
ATOM 2220 N ILE A 310 35.375 87.871 47.397 00 42.46 A
ATOM 2221 CA ILE A 310 35.833 86.744 46.599 00 42.28 A
ATOM 2222 CB ILE A 310 35.832 87.101 45.089 00 39.72 A
ATOM 2223 CG2 ILE A 310 36.321 85.925 44.262 1.00 35.46 A
ATOM 2224 CGl ILE A 310 34.420 87.508 44.661 1.00 44.17 A
ATOM 2225 CDl ILE A 310 33.345 86.460 44.949 1.00 36.64 A
ATOM 2226 C ILE A 310 37.243 86.359 47.039 1.00 43.37 A
ATOM 2227 O ILE A 310 38.189 87.113 46.842 1.00 43.41 A
ATOM 2228 N LEU A 311 37.374 85.181 47.639 1.00 41.67 A
ATOM 2229 CA LEU A 311 38.668 84.696 48.113 1.00 40.96 A
ATOM 2230 CB LEU A 311 38.586 83.206 48.487 1.00 39.90 A
ATOM 2231 CG LEU A 311 37.563 82.634 49.489 .00 47.89 A
ATOM 2232 CDl LEU A 311 38.324 81.986 50.627 .00 45.98 A
ATOM 2233 CD2 LEU A 311 36.611 83.707 50.014 .00 37.05 A
ATOM 2234 C LEU A 311 39.757 84.856 47.057 00 42.80 A
ATOM 2235 O LEU A 311 39.504 84.711 45.859 00 40.21 A
ATOM 2236 N SER A 312 40.973 85.144 47.505 1.00 39.45 A ATOM 2237 CA SER A 312 42.093 85.262 46.584 00 46.16 A
ATOM 2238 CB SER A 312 43.141 86.226 47.137 00 46.60 A
ATOM 2239 OG SER A 312 43.713 85.717 48.327 1.00 49.72 A
ATOM 2240 C SER A 312 42.698 83.869 46.460 , 00 45.02 A
ATOM 2241 O SER A 312 42.306 82.954 47.182 .00 43.00 A
ATOM 2242 N LYS A 313 43.637 83.700 45.539 .00 44.60 A
ATOM 2243 CA LYS A 313 44.292 82.407 45.372 .00 50.17 A
ATOM 2244 CB LYS A 313 45.275 82.462 44.198 .00 51.89 A
ATOM 2245 CG LYS A 313 46.165 81.235 44.066 1.00 60.02 A
ATOM 2246 CD LYS A 313 46.998 81.304 42.792 .00 65.92 A
ATOM 2247 CE LYS A 313 48.117 80.272 42.790 .00 67.74 A
ATOM 2248 NZ LYS A 313 49.141 80.536 43.845 1.00 65.13 A
ATOM 2249 C LYS A 313 45.046 82.143 46.670 .00 51.12 A
ATOM 2250 O LYS A 313 45.208 81.000 47.099 .00 44.76 A
ATOM 2251 N ASP A 314 45.504 83.238 47.272 .00 55.12 A
ATOM 2252 CA ASP A 314 46.244 83.247 48.529 .00 57.80 A
ATOM 2253 CB ASP A 314 46.438 84.691 48.985 .00 63.85 A
ATOM 2254 CG ASP A 314 47.861 85.151 48.860 .00 74.92 A
ATOM 2255 ODl ASP A 314 48.575 84.623 47.980 .00 79.88 A
ATOM 2256 OD2 ASP A 314 48.257 86.050 49.636 .00 78.09 A
ATOM 2257 C ASP A 314 45.479 82.513 49.614 .00 56.00 A
ATOM 2258 O ASP A 314 46.068 81.892 50.494 1.00 59.35 A
ATOM 2259 N GLU A 315 44.157 82.603 49.531 00 52.92 A
ATOM 2260 CA GLU A 315 43.253 82.011 50.504 00 47.88 A
ATOM 2261 CB GLU A 315 42.251 83.080 50.923 00 47.58 A
ATOM 2262 CG GLU A 315 42.931 84.273 51.574 1.00 45.96 A
ATOM 2263 CD GLU A 315 42.103 85.542 51.521 00 49.58 A
ATOM 2264 OEl GLU A 315 42.397 86.457 52.316 00 54.99 A
ATOM 2265 OE2 GLU A 315 41.176 85.637 50.683 00 46.91 A
ATOM 2266 C GLU A 315 42.514 80.758 50.051 00 44.75 A
ATOM 2267 O GLU A 315 41.558 80.339 50.700 00 49.45 A
ATOM 2268 N GLY A 316 42.950 80.167 48.941 00 43.25 A
ATOM 2269 CA GLY A 316 42.316 78.958 48.442 00 41.18 A
ATOM 2270 C GLY A 316 41.125 79.176 47.527 00 42.08 A
ATOM 2271 O GLY A 316 40.349 78.249 47.293 00 42.01 A
ATOM 2272 N GLY A 317 40.971 80.394 47.016 00 39.60 A
ATOM 2273 CA GLY A 317 39.865 80.683 46.120 1.00 37.75 A
ATOM 2274 C GLY A 317 40.252 80.440 44.671 1.00 39.44 A
ATOM 2275 O GLY A 317 41.290 79.834 44.408 1.00 36.45 A
ATOM 2276 N ARG A 318 39.412 80.896 43.740 00 41.29 A
ATOM 2277 CA ARG A 318 39.664 80.749 42.303 00 42.81 A
ATOM 2278 CB ARG A 318 38.594 81.459 41.474 1.00 47.79 A
ATOM 2279 CG ARG A 318 37.184 80.965 41.608 00 51.31 A
ATOM 2280 CD ARG A 318 36.273 81.878 40.797 00 45.89 A
ATOM 2281 NE ARG A 318 36.654 81.938 39.387 00 43.35 A
ATOM 2282 CZ ARG A 318 36.067 81.235 38.424 1.00 45.16 A
ATOM 2283 NHl ARG A 318 36.484 81.357 37.167 1.00 31.59 A
ATOM 2284 NH2 ARG A 318 35.056 80.421 38.716 1.00 41.78 A
ATOM 2285 C ARG A 318 40.984 81.408 41.933 1.00 46.72 A
ATOM 2286 O ARG A 318 41.496 82.261 42.672 1.00 42.53 A
ATOM 2287 N HIS A 319 41.509 81.033 40.769 00 46.91 A
ATOM 2288 CA HIS A 319 42.753 81.603 40.257 00 49.39 A
ATOM 2289 CB HIS A 319 43.664 80.504 39.698 00 48.98 A
ATOM 2290 CG HIS A 319 44.121 79.507 40.719 00 57.63 A
ATOM 2291 CD2 HIS A 319 43.925 79.445 42.058 00 56.55 A
ATOM 2292 NDl HIS A 319 44.885 78.406 40.394 1.00 59.46 A
ATOM 2293 CEl HIS A 319 45.141 77.710 41.487 00 56.24 A
ATOM 2294 NE2 HIS A 319 44.570 78.320 42.511 00 57.79 A
ATOM 2295 C HIS A 319 42.417 82.594 39.136 1.00 51.26 A ATOM 2296 O HIS A 319 43.255 83.399 38.733 1.00 49.60 A
ATOM 2297 N THR A 320 41.180 82.536 38.652 1.00 46.14 A
ATOM 2298 CA THR A 320 40.748 83.388 37.559 1.00 39.36 A
ATOM 2299 CB THR A 320 40.508 82.551 36.294 1.00 36.89 A
ATOM 2300 OGl THR A 320 39.408 81.661 36.531 1.00 40.87 A
ATOM 2301 CG2 THR A 320 41.759 81.735 35.931 1.00 30.48 A
ATOM 2302 C THR A 320 39.448 84.126 37.873 1.00 41.69 A
ATOM 2303 O THR A 320 38.748 83.803 38.835 1.00 39.11 A
ATOM 2304 N PRO A 321 39.115 85.137 37.055 1.00 39.37 A
ATOM 2305 CD PRO A 321 39.984 85.724 36.008 1.00 41.73 A
ATOM 2306 CA PRO A 321 37.896 85.933 37.224 1.00 36.44 A
ATOM 2307 CB PRO A 321 38.200 87.197 36.416 1.00 39.64 A
ATOM 2308 CG PRO A 321 39.048 86.672 35.286 1.00 38.45 A
ATOM 2309 C PRO A 321 36.675 85.196 36.682 ' 1.00 38.35 A
ATOM 2310 O PRO A 321 36.794 84.341 35.800 1.00 38.07 A
ATOM 2311 N PHE A 322 35.503 85.509 37.213 1.00 32.30 A
ATOM 2312 CA PHE A 322 34.297 84.871 36.720 1.00 40.83 A
ATOM 2313 CB PHE A 322 33.569 84.121 37.845 1.00 39.33 A
ATOM 2314 CG PHE A 322 33.030 85.002 38.936 1.00 35.37 A
ATOM 2315 CDl PHE A 322 31.891 85.779 38.728 1.00 29.43 A
ATOM 2316 CD2 PHE A 322 33.637 85.020 40.197 1.00 39.74 A
ATOM 2317 CEl PHE A 322 31.355 86.559 39.758 1.00 32.91 A
ATOM 2318 CE2 PHE A 322 33.111 85.796 41.236 1.00 36.00 A
ATOM 2319 CZ PHE A 322 31.963 86.568 41.012 1.00 34.73 A
ATOM 2320 C PHE A 322 33.446 85.976 36.120 1.00 43.95 A
ATOM 2321 O PHE A 322 33.657 87.147 36.421 1.00 46.62 A
ATOM 2322 N PHE A 323 32.490 85.619 35.273 1.00 51.92 A
ATOM 2323 CA PHE A 323 31.683 86.635 34.615 1.00 51.96 A
ATOM 2324 CB PHE A 323 31.924 86.568 33.104 1.00 46.94 A
ATOM 2325 CG PHE A 323 33.378 86.448 32.726 1.00 43.79 A
ATOM 2326 CDl PHE A 323 34.018 85.213 32.759 1.00 44.49 A
ATOM 2327 CD2 PHE A 323 34.114 87.574 32.361 1.00 46.70 A
ATOM 2328 CEl PHE A 323 35.373 85.098 32.436 1.00 35.95 A
ATOM 2329 CE2 PHE A 323 35.473 87.473 32.036 1.00 41.29 A
ATOM 2330 CZ PHE A 323 36.102 86.231 32.075 1.00 44.16 A
ATOM 2331 C PHE A 323 30.198 86.535 34.888 1.00 55.14 A
ATOM 2332 O PHE A 323 29.744 85.696 35.659 1.00 60.23 A
ATOM 2333 N LYS A 324 29.447 87.420 34.248 1.00 59.75 A
ATOM 2334 CA LYS A 324 27.999 87.444 34.370 1.00 63.70 A
ATOM 2335 CB LYS A 324 27.422 88.380 33.301 1.00 70.39 A
ATOM 2336 CG LYS A 324 25.947 88.692 33.445 1.00 78.99 A
ATOM 2337 CD LYS A 324 25.712 89.758 34.500 1.00 84.01 A
ATOM 2338 CE LYS A 324 24.235 90.119 34.580 1.00 88.97 A
ATOM 2339 NZ LYS A 324 23.684 90.501 33.243 1.00 86.67 A
ATOM 2340 C LYS A 324 27.511 86.014 34.127 1.00 61.21 A
ATOM 2341 O LYS A 324 28.131 85.258 33.375 1.00 59.43 A
ATOM 2342 N GLY A 325 26.414 85.635 34.769 1.00 61.10 A
ATOM 2343 CA GLY A 325 25.898 84.291 34.571 1.00 64.04 A
ATOM 2344 C GLY A 325 26.694 83.182 35.243 1.00 59.52 A
ATOM 2345 O GLY A 325 26.578 82.011 34.870 1.00 58.27 A
ATOM 2346 N TYR A 326 27.527 83.547 36.213 1.00 55.44 A ATOM 2347 CA TYR A 326 28.303 82.556 36.957 1.00 47.38 A
ATOM 2348 CB TYR A 326 29.292 83.255 37.896 1.00 40.10 A
ATOM 2349 CG TYR A 326 30.251 82.333 38.628 1.00 42.59 A
ATOM 2350 CDl TYR A 326 30.635 82.609 39.937 1.00 42.96 A
ATOM 2351 CEl TYR A 326 31.543 81.794 40.618 1.00 44.41 A
ATOM 2352 CD2 TYR A 326 30.801 81.204 38.007 1.00 37.49 A
ATOM 2353 CE2 TYR A 326 31.711 80.381 38.682 1.00 39.44 A
ATOM 2354 CZ TYR A 326 32.074 80.687 39.991 1.00 43.21 A ATOM 2355 OH TYR A 326 32.958 79.895 40.687 1.00 46.08 A
ATOM 2356 C TYR A 326 27.225 81.843 37.769 1.00 40.03 A
ATOM 2357 O TYR A 326 26.377 82.500 38.371 1.00 42.81 A
ATOM 2358 N ARG A 327 27.236 80.515 37.783 1.00 40.65 A
ATOM 2359 CA ARG A 327 26.207 79.776 38.518 1.00 42.13 A
ATOM 2360 CB ARG A 327 25.368 78.958 37.534 1.00 41.98 A
ATOM 2361 CG ARG A 327 23.865 79.206 37.629 1.00 54.14 A
ATOM 2362 CD ARG A 327 23.123 78.622 36.423 1.00 47.87 A
ATOM 2363 NE ARG A 327 23.227 77.170 36.373 1.00 53.34 A
ATOM 2364 CZ ARG A 327 22.258 76.346 36.751 1.00 56.91 A
ATOM 2365 NHl ARG A 327 21.105 76.829 37.199 1.00 57.71 A
ATOM 2366 NH2 ARG A 327 22.449 75.041 36.699 1.00 53.18 A
ATOM 2367 C ARG A 327 26.774 78.852 39.601 1.00 40.18 A
ATOM 2368 O ARG A 327 26.770 77.637 39.442 1.00 43.24 A
ATOM 2369 N PRO A 328 27.282 79.424 40.713 1.00 38.40 A
ATOM 2370 CD PRO A 328 27.572 80.857 40.933 1.00 32.19 A
ATOM 2371 CA PRO A 328 27.842 78.612 41.799 1.00 31.79 A
ATOM 2372 CB PRO A 328 28.864 79.557 42.423 1.00 35.42 A
ATOM 2373 CG PRO A 328 28.149 80.874 42.350 1.00 32.06 A
ATOM 2374 C PRO A 328 26.773 78.158 42.801 1.00 30.81 A
ATOM 2375 O PRO A 328 25.576 78.375 42.595 1.00 29.24 A
ATOM 2376 N GLN A 329 27.203 77.516 43.883 1.00 33.23 A
ATOM 2377 CA GLN A 329 26.268 77.050 44.906 1.00 32.93 A
ATOM 2378 CB GLN A 329 26.614 75.622 45.344 1.00 33.47 A
ATOM 2379 CG GLN A 329 26.416 74.568 44.268 1.00 29.48 A
ATOM 2380 CD GLN A 329 24.968 74.434 43.863 1.00 34.16 A
ATOM 2381 OEl GLN A 329 24.592 74.782 42.743 1.00 33.44 A
ATOM 2382 NE2 GLN A 329 24.138 73.935 44.781 1.00 32.56 A
ATOM 2383 C GLN A 329 26.327 77.974 46.117 1.00 36.51 A
ATOM 2384 O GLN A 329 27.409 78.287 46.628 1.00 31.01 A
ATOM 2385 N PHE A 330 25.160 78.404 46.578 1.00 37.47 A
ATOM 2386 CA PHE A 330 25.083 79.293 47.731 1.00 38.30 A
ATOM 2387 CB PHE A 330 24.085 80.420 47.439 1.00 35.81 A
ATOM 2388 CG PHE A 330 24.545 81.367 46.361 1.00 39.52 A
ATOM 2389 CDl PHE A 330 25.112 82.602 46.691 1.00 33.29 A
ATOM 2390 CD2 PHE A 330 24.448 81.012 45.015 1.00 39.86 A
ATOM 2391 CEl PHE A 330 25.579 83.473 45.691 1.00 42.01 A
ATOM 2392 CE2 PHE A 330 24.911 81.873 44.006 1.00 42.43 A
ATOM 2393 CZ PHE A 330 25.478 83.108 44.347 1.00 38.82 A
ATOM 2394 C PHE A 330 24.686 78.521 48.989 1.00 37.79 A
ATOM 2395 O PHE A 330 23.629 77.891 49.035 1.00 37.63 A
ATOM 2396 N TYR A 331 25.543 78.576 50.005 1.00 34.44 A
ATOM 2397 CA TYR A 331 25.305 77.870 51.263 1.00 32.70 A
ATOM 2398 CB TYR A 331 26.638 77.357 51.822 1.00 34.17 A
ATOM 2399 CG TYR A 331 27.197 76.166 51.064 1.00 34.43 A
ATOM 2400 CDl TYR A 331 27.291 74.909 51.672 1.00 31.99 A
ATOM 2401 CEl TYR A 331 27.768 73.802 50.975 1.00 34.61 A
ATOM 2402 CD2 TYR A 331 27.597 76.284 49.729 1.00 34.14 A
ATOM 2403 CE2 TYR A 331 28.075 75.179 49.016 1.00 31.93 A
ATOM 2404 CZ TYR A 331 28.159 73.943 49.646 1.00 43.05 A
ATOM 2405 OH TYR A 331 28.634 72.848 48.958 1.00 41.97 A
ATOM 2406 C TYR A 331 24.598 78.707 52.322 1.00 34.18 A
ATOM 2407 O TYR A 331 25.163 79.665 52.848 1.00 35.99 A
ATOM 2408 N PHE A 332 23.355 78.341 52.623 1.00 33.81 A
ATOM 2409 CA PHE A 332 22.563 79.044 53.627 1.00 37.55 A
ATOM 2410 CB PHE A 332 21.255 79.599 53.029 1.00 41.71 A
ATOM 2411 CG PHE A 332 21.454 80.725 52.052 1.00 45.19 A
ATOM 2412 CDl PHE A 332 21.495 80.479 50.681 1.00 49.59 A
ATOM 2413 CD2 PHE A 332 21.642 82.029 52.506 1.00 48.19 A ATOM 2414 CEl PHE A 332 21.725 81.518 49.769 .00 46.08 A
ATOM 2415 CE2 PHE A 332 21.871 83.071 51.611 .00 48.29 A
ATOM 2416 CZ PHE A 332 21.914 82.815 50.239 1.00 49.23 A
ATOM 2417 C PHE A 332 22.229 78.080 54.761 .00 35.63 A
ATOM 2418 O PHE A 332 21.457 77.145 54.585 .00 36.77 A
ATOM 2419 N ARG A 333 22.823 78.309 55.924 .00 33.83 A
ATOM 2420 CA ARG A 333 22.571 77.468 57.082 .00 35.02 A
ATOM 2421 CB ARG A 333 21.141 77.694 57.581 .00 35.68 A
ATOM 2422 CG ARG A 333 20.953 79.054 58.233 .00 38.37 A
ATOM 2423 CD ARG A 333 19.524 79.287 58.693 .00 38.26 A
ATOM 2424 NE ARG A 333 19.432 80.500 59.502 .00 44.42 A
ATOM 2425 CZ ARG A 333 18.876 81.644 59.108 .00 43.94 A
ATOM 2426 NHl ARG A 333 18.338 81.756 57.897 .00 33.70 A
ATOM 2427 NH2 ARG A 333 18.876 82.687 59.929 ,00 43.41 A
ATOM 2428 C ARG A 333 22.828 75.978 56.830 .00 38.60 A
ATOM 2429 O ARG A 333 23.978 75.577 56.617 .00 35.18 A
ATOM 2430 N THR A 334 21.780 75.154 56.843 .00 33.16 A
ATOM 2431 CA THR A 334 21.986 73.719 56.644 .00 32.00 A
ATOM 2432 CB THR A 334 20.992 72.886 57.482 .00 30.54 A
ATOM 2433 OGl THR A 334 19.659 73.344 57.235 .00 34.60 A
ATOM 2434 CG2 THR A 334 21.306 73.006 58.981 .00 23.87 A
ATOM 2435 C THR A 334 21.955 73.182 55.220 .00 32.59 A
ATOM 2436 O THR A 334 22.104 71.987 55.026 .00 38.82 A
ATOM 2437 N THR A 335 21.761 74.035 54.218 .00 40.24 A
ATOM 2438 CA THR A 335 21.731 73.544 52.836 .00 38.00 A
ATOM 2439 CB THR A 335 20.287 73.302 52.345 .00 39.30 Α
ATOM 2440 OGl THR A 335 20.322 72.648 51.071 .00 50.07 Ά
ATOM 2441 CG2 THR A 335 19.539 74.616 52.199 .00 41.56 A
ATOM 2442 C THR A 335 22.415 74.499 51.871 .00 38.72 A
ATOM 2443 O THR A 335 22.885 75.562 52.267 .00 48.37 A
ATOM 2444 N ASP A 336 22.490 74.109 50.606 1.00 33.02 A
ATOM 2445 CA ASP A 336 23.107 74.956 49.594 1.00 35.79 A
ATOM 2446 CB ASP A 336 24.531 74.465 49.277 1.00 35.15 A
ATOM 2447 CG ASP A 336 24.557 73.075 48.649 1.00 37.29 A
ATOM 2448 ODl ASP A 336 24.533 72.976 47.399 1.00 36.74 A
ATOM 2449 OD2 ASP A 336 24.597 72.082 49.407 1.00 38.72 A
ATOM 2450 C ASP A 336 22.203 74.930 48.359 1..00 39.97 A
ATOM 2451 O ASP A 336 21.500 73.944 48.110 1..00 39.19 A
ATOM 2452 N VAL A 337 22.204 76.014 47.594 1..00 36.48 A
ATOM 2453 CA VAL A 337 21.339 76.093 46.432 1..00 39.50 A
ATOM 2454 CB VAL A 337 19.976 76.688 46.828 1, .00 47.59 A
ATOM 2455 CGl VAL A 337 20.191 77.970 47.615 1..00 52.18 A
ATOM 2456 CG2 VAL A 337 19.132 76.948 45.592 1..00 42.80 A
ATOM 2457 C VAL A 337 21.936 76.920 45.317 1..00 38.60 A
ATOM 2458 O VAL A 337 22.588 77.936 45.563 1..00 34.20 A
ATOM 2459 N THR A 338 21.697 76.477 44.085 1..00 37.30 A
ATOM 2460 CA THR A 338 22.216 77.159 42.911 1..00 35.87 A
ATOM 2461 CB THR A 338 21.935 76.347 41.636 1..00 39.33 A
ATOM 2462 OGl THR A 338 22.250 74.966 41.863 1. 00 40.57 A
ATOM 2463 CG2 THR A 338 22.771 76.875 40.485 1.00 29.97 A
ATOM 2464 C THR A 338 21.639 78.565 42.725 00 37.78 A
ATOM 2465 O THR A 338 20.469 78.830 43.017 00 36.83 A
ATOM 2466 N GLY A 339 22.474 79.466 42.228 00 43.12 A
ATOM 2467 CA GLY A 339 22.029 80.822 42.002 1.00 45.41 A
ATOM 2468 C GLY A 339 22.768 81.491 40.862 00 45.05 A
ATOM 2469 O GLY A 339 23.911 81.152 40.556 00 40.96 A
ATOM 2470 N THR A 340 22.100 82.447 40.230 00 49.99 A
ATOM 2471 CA THR A 340 22.685 83.195 39.129 00 51.66 A
ATOM 2472 CB THR A 340 21.691 83.334 37.967 1.00 52.11 A ATOM 2473 OGl THR A 340 21.439 82.037 37.406 1.00 58.41 A
ATOM 2474 CG2 THR A 340 22.254 84.251 36.890 1.00 55.57 A
ATOM 2475 C THR A 340 23.065 84.575 39.645 1.00 53.08 A
ATOM 2476 O THR A 340 22.370 85.152 40.483 1.00 53.22 A
ATOM 2477 N ILE A 341 24.170 85.103 39.141 1.00 55.60 A
ATOM 2478 CA ILE A 341 24.652 86.400 39.576 1.00 59.28 A
ATOM 2479 CB ILE A 341 26.128 86.301 40.000 1.00 59.99 A
ATOM 2480 CG2 ILE A 341 26.685 87.675 40.322 1.00 63.39 A
ATOM 2481 CGl ILE A 341 26.250 85.378 41.210 1.00 63.38 A
ATOM 2482 CDl ILE A 341 27.685 85.013 41.559 1.00 62.48 A
ATOM 2483 C ILE A 341 24.534 87.509 38.540 1.00 60.86 A
ATOM 2484 O ILE A 341 24.852 87.318 37.367 1.00 66.91 A
ATOM 2485 N GLU A 342 24.064 88.665 38.994 1.00 60.48 A
ATOM 2486 CA GLU A 342 23.953 89.854 38.158 1.00 59.06 A
ATOM 2487 CB GLU A 342 22.553 90.462 38.258 1.00 60.90 A
ATOM 2488 CG GLU A 342 21.515 89.745 37.406 1.00 70.82 A
ATOM 2489 CD GLU A 342 20.141 90.402 37.459 1.00 75.66 A
ATOM 2490 OEl GLU A 342 19.431 90.234 38.475 1.00 71.24 A
ATOM 2491 OE2 GLU A 342 19.773 91.094 36.482 1.00 80.79 A
ATOM 2492 C GLU A 342 24.998 90.819 38.719 1.00 56.11 A
ATOM 2493 O GLU A 342 25.045 91.058 39.921 1.00 58.16 A
ATOM 2494 N LEU A 343 25.853 91.353 37.857 1.00 57.85 A
ATOM 2495 CA LEU A 343 26.899 92.260 38.309 1.00 56.66 A
ATOM 2496 CB LEU A 343 28.181 92.010 37.512 1.00 56.30 A
ATOM 2497 CG LEU A 343 28.851 90.644 37.688 1.00 59.36 A
ATOM 2498 CDl LEU A 343 30.139 90.581 36.872 1.00 53.24 A
ATOM 2499 CD2 LEU A 343 29.158 90.423 39.159 1.00 56.39 A
ATOM 2500 C LEU A 343 26.520 93.734 38.210 1.00 61.93 A
ATOM 2501 O LEU A 343 25.530 94.096 37.571 1.00 61.87 A
ATOM 2502 N PRO A 344 27.303 94.606 38.860 1.00 64.90 A
ATOM 2503 CD PRO A 344 28.418 94.317 39.778 1.00 63.48 A
ATOM 2504 CA PRO A 344 27.022 96.043 38.818 1.00 70.13 A
ATOM 2505 CB PRO A 344 28.109 96.636 39.713 1.00 69.07 A
ATOM 2506 CG PRO A 344 28.403 95.525 40.676 1.00 65.97 A
ATOM 2507 C PRO A 344 27.137 96.542 37.382 1.00 72.66 A
ATOM 2508 O PRO A 344 27.902 95.990 36.585 1.00 71.89 A
ATOM 2509 N GLU A 345 26.377 97.584 37.061 1.00 76.79 A
ATOM 2510 CA GLU A 345 26.387 98.164 35.724 1.00 79.43 A
ATOM 2511 CB GLU A 345 25.464 99.385 35.691 1.00 85.81 A
ATOM 2512 CG GLU A 345 25.403 100.109 34.355 1.00 97.18 A
ATOM 2513 CD GLU A 345 24.402 101.256 34.368 1.00103.45 A
ATOM 2514 OEl GLU A 345 23.181 100.984 34.415 1.00103.67 A
ATOM 2515 OE2 GLU A 345 24.838 102.429 34.342 1.00108.01 A
ATOM 2516 C GLU A 345 27.805 98.556 35.305 1.00 77.09 A
ATOM 2517 O GLU A 345 28.502 99.281 • 36.024 1.00 68.82 A
ATOM 2518 N GLY A 346 28.226 98.063 34.142 1.00 77.80 A
ATOM 2519 CA GLY A 346 29.557 98.367 33.646 1.00 76.39 A
ATOM 2520 C GLY A 346 30.594 97.311 33.988 1.00 77.34 A
ATOM 2521 O GLY A 346 31.573 97.145 33.258 1.00 76.56 A
ATOM 2522 ISI VAL A 347 30.390 96.602 35.099 1.00 77.21 A
ATOM 2523 CA VAL A 347 31.319 95.554 35.526 1.00 70.66 A
ATOM 2524 CB VAL A 347 31.088 95.156 36.999 1.00 72.73 A
ATOM 2525 CGl VAL A 347 32.094 94.090 37.414 1.00 71.45 A
ATOM 2526 CG2 VAL A 347 31.212 96.372 37.893 1.00 68.93 A
ATOM 2527 C VAL A 347 31.132 94.314 34.660 1.00 69.72 A
ATOM 2528 O VAL A 347 30.021 93.783 34.552 1.00 65.21 A
ATOM 2529 N GLU A 348 32.222 93.856 34.048 1.00 70.37 A
ATOM 2530 CA GLU A 348 32.175 92.686 33.174 1.00 72.72 A
ATOM 2531 CB GLU A 348 32.970 92.953 31.885 1.00 77.99 A 00077
65
ATOM 2532 CG GLU A 348 32.431 94.096 31.014 .00 83.36 A
ATOM 2533 CD GLU A 348 31.067 93.797 30.400 .00 87.37 A
ATOM 2534 OEl GLU A 348 30.965 92.820 29.625 .00 88.07 A
ATOM 2535 OE2 GLU A 348 30.101 94.541 30.690 .00 86.67 A
ATOM 2536 C GLU A 348 32.708 91.423 33.847 .00 70.43 A
ATOM 2537 O GLU A 348 32.259 90.317 33.543 .00 70.57 A
ATOM 2538 N MET A 349 33.660 91.586 34.762 .00 66.56 A
ATOM 2539 CA MET A 349 34.245 90.442 35.456 .00 64.49 A
ATOM 2540 CB MET A 349 35.510 89.986 34.727 .00 64.74 A
ATOM 2541 CG MET A 349 36.575 91.063 34.645 1.00 65.34 A
ATOM 2542 SD MET A 349 38.190 90.422 34.204 .00 76.24 A
ATOM 2543 CE MET A 349 38.015 90.234 32.413 .00 76.62 A
ATOM 2544 C MET A 349 34.591 90.726 36.922 .00 62.16 A
ATOM 2545 O MET A 349 34.752 91.877 37.326 ,00 62.45 A
ATOM 2546 N VAL A 350 34.702 89.662 37.714 ,00 57.85 A
ATOM 2547 CA VAL A 350 35.044 89.781 39.128 ,00 47.40 A
ATOM 2548 CB VAL A 350 33.968 89.155 40.036 00 50.71 A
ATOM 2549 CGl VAL A 350 34.350 89.359 41.491 .00 45.07 A
ATOM 2550 CG2 VAL A 350 32.601 89.778 39.751 ,00 42.81 A
ATOM 2551 C VAL A 350 36.355 89.043 39.341 ,00 46.48 A
ATOM 2552 O VAL A 350 36.482 87.873 38.980 .00 50.27 A
ATOM 2553 N MET A 351 37.330 89.731 39.926 .00 40.94 A
ATOM 2554 CA MET A 351 38.646 89.146 40.149 .00 42.01 A
ATOM 2555 CB MET A 351 39.729 90.222 40.012 .00 40.87 A
ATOM 2556 CG MET A 351 39.863 90.836 38.625 ,00 44.63 A
ATOM 2557 SD MET A 351 40.498 89.658 37.451 .00 55.16 A
ATOM 2558 CE MET A 351 42.201 89.514 37.991 .00 40.88 A
ATOM 2559 C MET A 351 38.788 88.501 41.520 ,00 44.98 A
ATOM 2560 O MET A 351 38.152 88.928 42.482 .00 43.99 A
ATOM 2561 N PRO A 352 39.612 87.445 41.624 .00 43.78 A
ATOM 2562 CD PRO A 352 40.250 86.630 40.577 .00 45.43 A
ATOM 2563 CA PRO A 352 39.776 86.822 42.936 ,00 44.65 A
ATOM 2564 CB PRO A 352 40.662 85.604 42.642 ,00 44.85 A
ATOM 2565 CG PRO A 352 41.332 85.942 41.346 .00 44.18 A
ATOM 2566 C PRO A 352 40.437 87.831 43.873 .00 48.93 A
ATOM 2567 O PRO A 352 41.498 88.382 43.570 .00 50.68 A
ATOM 2568 N GLY A 353 39.787 88.080 45.003 1.00 51.72 A
ATOM 2569 CA GLY A 353 40.303 89.028 45.972 00 55.36 A
ATOM 2570 C GLY A 353 39.476 90.305 46.006 00 57.57 A
ATOM 2571 O GLY A 353 39.718 91.182 46.836 ,00 60.34 A
ATOM 2572 N ASP A 354 38.494 90.400 45.109 ,00 53.83 A
ATOM 2573 CA ASP A 354 37.625 91.574 45.011 .00 54.22 A
ATOM 2574 CB ASP A 354 37.116 91.768 43.570 00 52.98 A
ATOM 2575 CG ASP A 354 38.201 92.210 42.596 .00 56.60 A
ATOM 2576 ODl ASP A 354 37.883 92.291 41.388 .00 61.76 A
ATOM 2577 OD2 ASP A 354 39.350 92.478 43.018 .00 52.64 A
ATOM 2578 C ASP A 354 36.392 91.502 45.904 00 54.17 A
ATOM 2579 O ASP A 354 35.849 90.429 46.159 .00 52.72 A
ATOM 2580 N ASN A 355 35.952 92.668 46.363 ,00 54.76 A
ATOM 2581 CA ASN A 355 34.745 92.795 47.174 ,00 54.48 A
ATOM 2582 CB ASN A 355 34.949 93.804 48.297 .00 55.29 A
ATOM 2583 CG ASN A 355 35.726 93.232 49.463 .00 60.08 A
ATOM 2584 ODl ASN A 355 35.209 92.415 50.224 1.00 60.46 A
ATOM 2585 ND2 ASN A 355 36.976 93.655 49.610 .00 59.76 A
ATOM 2586 C ASN A 355 33.748 93.351 46.175 .00 56.08 A
ATOM 2587 O ASN A 355 34.070 94.293 45.452 .00 58.55 A
ATOM 2588 N ILE A 356 32.547 92.789 46.123 .00 54.88 A
ATOM 2589 CA ILE A 356 31.579 93.257 45.145 .00 54.00 A
ATOM 2590 CB ILE A 356 31.776 92.496 43.810 1.00 59.49 A ATOM 2591 CG2 ILE A 356 31.512 91.009 44.022 1.00 57.50 A
ATOM 2592 CGl ILE A 356 30.857 93.070 42.725 00 65.56 A
ATOM 2593 CDl ILE A 356 31.076 92.467 41.344 00 69.04 A
ATOM 2594 C ILE A 356 30.127 93.121 45.575 00 54.07 A
ATOM 2595 O ILE A 356 29.780 92.258 46.378 00 55.99 A
ATOM 2596 N LYS A 357 29.283 93.999 45.043 00 57.01 A
ATOM 2597 CA LYS A 357 27.853 93.959 45.324 00 58.05 A
ATOM 2598 CB LYS A 357 27.252 95.364 45.404 00 62.64 A
ATOM 2599 CG LYS A 357 27.807 96.257 46.492 00 71.29 A
ATOM 2600 CD LYS A 357 26.876 97.455 46.692 00 77.48 A
ATOM 2601 CE LYS A 357 27.480 98.519 47.606 00 80.98 A
ATOM 2602 NZ LYS A 357 28.653 99.205 46.983 00 79.57 A
ATOM 2603 C LYS A 357 27.221 93.239 44.142 1.00 56.08 A
ATOM 2604 O LYS A 357 27.413 93.638 42.992 .00 55.84 A
ATOM 2605 N MET A 358 26.475 92.178 44.418 .00 52.71 A
ATOM 2606 CA MET A 358 25.831 91.431 43.348 1.00 53.78 A
ATOM 2607 CB MET A 358 26.651 90.174 43.006 1.00 54.34 A
ATOM 2608 CG MET A 358 27.068 89.348 44.210 1.00 60.39 A
ATOM 2609 SD MET A 358 28.110 87.906 43.805 .00 66.29 A
ATOM 2610 CE MET A 358 27.034 86.574 44.358 .00 50.64 A
ATOM 2611 C MET A 358 24.403 91.045 43.694 .00 46.39 A
ATOM 2612 O MET A 358 24.073 90.797 44.850 1.00 49.28 A
ATOM 2613 N VAL A 359 23.549 91.025 42.683 1.00 44.39 A
ATOM 2614 CA VAL A 359 22.170 90.642 42.889 1.00 43.27 A
ATOM 2615 CB VAL A 359 21.231 91.446 41.976 1.00 48.64 A
ATOM 2616 CGl VAL A 359 19.792 91.102 42.290 1.00 46.86 A
ATOM 2617 CG2 VAL A 359 21.478 92.934 42.166 00 44.17 A
ATOM 2618 C VAL A 359 22.110 89.158 42.543 .00 45.03 A
ATOM 2619 O VAL A 359 22.474 88.742 41.431 00 45.35 A
ATOM 2620 N VAL A 360 21.660 88.358 43.500 .00 37.89 A
ATOM 2621 CA VAL A 360 21.598 86.918 43.303 00 39.28 A
ATOM 2622 CB VAL A 360 22.245 86.176 44.497 .00 39.51 A
ATOM 2623 CGl VAL A 360 22.144 84.671 44.294 00 33.43 A
ATOM 2624 CG2 VAL A 360 23.694 86.606 44.652 00 38.53 A
ATOM 2625 C VAL A 360 20.197 86.357 43.119 .00 40.61 A
ATOM 2626 O VAL A 360 19.259 86.741 43.825 .00 37.37 A
ATOM 2627 N THR A 361 20.060 85.434 42.171 .00 38.80 A
ATOM 2628 CA THR A 361 18.774 84.793 41.952 .00 44.53 A
ATOM 2629 CB THR A 361 18.214 85.089 40.547 .00 44.16 A
ATOM 2630 OGl THR A 361 18.111 86.505 40.362 ,00 43.01 A
ATOM 2631 CG2 THR A 361 16.832 84.480 40.397 1.00 31.18 A
ATOM 2632 C THR A 361 18.918 83.281 42.144 .00 44.75 A
ATOM 2633 O THR A 361 19.599 82.599 41.372 .00 43.64 A
ATOM 2634 N LEU A 362 18.281 82.779 43.196 .00 45.29 A
ATOM 2635 CA LEU A 362 18.296 81.359 43.549 1.00 47.53 A
ATOM 2636 CB LEU A 362 17.957 81.198 45.034 00 39.13 A
ATOM 2637 CG LEU A 362 19.049 81.262 46.107 00 42.38 A
ATOM 2638 CDl LEU A 362 20.272 82.001 45.628 00 37.48 A
ATOM 2639 CD2 LEU A 362 18.460 81.902 47.351 1.00 33.76 A
ATOM 2640 C LEU A 362 17.280 80.573 42.726 1.00 47.92 A
ATOM 2641 O LEU A 362 16.251 81.118 42.328 1.00 49.24 A
ATOM 2642 N ILE A 363 17.559 79.292 42.486 1.00 45.51 A
ATOM 2643 CA ILE A 363 16.630 78.465 41.724 1.00 48.38 A
ATOM 2644 CB ILE A 363 17.264 77.143 41.267 1.00 52.59 A
ATOM 2645 CG2 ILE A 363 17.967 77.340 39.931 1.00 48.07 A
ATOM 2646 CGl ILE A 363 18.212 76.625 42.341 1.00 59.45 A
ATOM 2647 CDl ILE A 363 18.942 75.378 41.935 1.00 67.28 A
ATOM 2648 C ILE A 363 15.371 78.159 42.522 1.00 48.00 A
ATOM 2649 O ILE A 363 14.360 77.758 41.952 1.00 51.01 A ATOM 2650 N HIS A 364 15.446 78.327 43.839 1.00 41.24 A
ATOM 2651 CA HIS A 364 14.291 78.135 44.712 1.00 45.95 A
ATOM 2652 CB HIS A 364 14.069 76.647 45.071 1.00 43.14 A
ATOM 2653 CG HIS A 364 15.031 76.085 46.071 1.00 48.15 A
ATOM 2654 CD2 HIS A 364 15.321 76.455 47.341 1.00 46.53 A
ATOM 2655 NDl HIS A 364 15.777 74.950 45.825 1.00 47.44 A
ATOM 2656 CEl HIS A 364 16.481 74.645 46.900 1.00 46.82 A
ATOM 2657 NE2 HIS A 364 16.222 75.542 47.834 1.00 46.79 A
ATOM 2658 C HIS A 364 14.442 79.011 45.959 1.00 47.27 A
ATOM 2659 O HIS A 364 15.546 79.446 46.301 1.00 46.10 A
ATOM 2660 N PRO A 365 13.327 79.306 46.638 1.00 47.65 A
ATOM 2661 CD PRO A 365 11.936 79.097 46.202 1.00 48.41 A
ATOM 2662 CA PRO A 365 13.368 80.146 47.834 1.00 42.57 A
ATOM 2663 CB PRO A 365 11.888 80.383 48.130 1.00 43.62 A
ATOM 2664 CG PRO A 365 11.254 80.307 46.772 1.00 46.25 A
ATOM 2665 C PRO A 365 14.111 79.574 49.039 1.00 46.71 A
ATOM 2666 O PRO A 365 14.203 78.359 49.221 1.00 47.15 A
ATOM 2667 N ILE A 366 14.627 80.482 49.861 1.00 41.22 A
ATOM 2668 CA ILE A 366 15.345 80.155 51.085 1.00 43.28 A
ATOM 2669 CB ILE A 366 16.890 80.275 50.896 1.00 40.82 A
ATOM 2670 CG2 ILE A 366 17.579 80.482 52.237 1.00 48.44 A
ATOM 2671 CGl ILE A 366 17.444 79.014 50.236 1.00 48.75 A
ATOM 2672 CDl ILE A 366 17.372 77.772 51.109 1.00 46.96 A
ATOM 2673 C ILE A 366 14.892 81.176 52.131 1.00 43.87 A
ATOM 2674 O ILE A 366 14.688 82.351 51.815 1.00 45.02 A
ATOM 2675 N ALA A 367 14.724 80.731 53.369 1.00 39.81 A
ATOM 2676 CA ALA A 367 14.315 81.634 54.441 1.00 42.41 A
ATOM 2677 CB ALA A 367 13.967 80.844 55.696 1.00 33.29 A
ATOM 2678 C ALA A 367 15.487 82.563 54.715 1.00 42.51 A
ATOM 2679 O ALA A 367 16.602 82.096 54.951 1.00 42.66 A
ATOM 2680 N MET A 368 15.247 83.871 54.672 1.00 41.12 A
ATOM 2681 CA MET A 368 16.326 84.818 54.917 1.00 45.42 A
ATOM 2682 CB MET A 368 17.225 84.920 53.687 1.00 41.30 A
ATOM 2683 CG MET A 368 16.527 85.485 52.460 1.00 44.49 A
ATOM 2684 SD MET A 368 17.696 85.772 51.135 1.00 48.86 A
ATOM 2685 CE MET A 368 17.737 84.167 50.362 1.00 51.24 A
ATOM 2686 C MET A 368 15.877 86.221 55.300 1.00 50.29 A
ATOM 2687 O MET A 368 14.700 86.571 55.203 1.00 49.88 A
ATOM 2688 N ASP A 369 16.849 87.019 55.726 1.00 49.54 A
ATOM 2689 CA ASP A 369 16.614 88.396 56.116 1.00 51.60 A
ATOM 2690 CB ASP A 369 16.102 88.454 57.557 1.00 61.43 A
ATOM 2691 CG ASP A 369 14.844 89.286 57.696 1.00 67.21 A
ATOM 2692 ODl ASP A 369 14.852 90.447 57.229 1.00 69.56 A
ATOM 2693 OD2 ASP A 369 13.854 88.779 58.273 1.00 68.26 A
ATOM 2694 C ASP A 369 17.959 89.101 56.010 1.00 49.45 A
ATOM 2695 O ASP A 369 18.999 88.446 55.965 1.00 44.32 A
ATOM 2696 N ASP A 370 17.943 90.429 55.961 1.00 50.98 A
■ ATOM 2697 CA ASP A 370 19.186 91.185 55.873 1.00 49.58 A
ATOM 2698 CB ASP A 370 18.905 92.686 56.018 1.00 57.03 A
ATOM 2699 CG ASP A 370 17.973 93.212 54.939 1.00 66.69 A
ATOM 2700 ODl ASP A 370 18.227 92.927 53.746 1.00 74.81 A
ATOM 2701 OD2 ASP A 370 16.994 93.915 55.282 1.00 72.78 A
ATOM 2702 C ASP A 370 20.144 90.717 56.976 1.00 46.35 A
ATOM 2703 O ASP A 370 19.723 90.401 58.091 1.00 41.99 A
ATOM 2704 N GLY A 371 21.429 90.645 56.655 1.00 47.78 A
ATOM 2705 CA GLY A 371 22.401 90.217 57.646 1.00 43.15 A
ATOM 2706 C GLY A 371 22.787 88.743 57.621 1.00 46.28 A
ATOM 2707 O GLY A 371 23.832 88.366 58.161 1.00 43.79 A
ATOM 2708 N LEU A 372 21.955 87.899 57.015 1.00 40.86 A ATOM 2709 CA LEU A 372 22.258 86.467 56.941 00 38.06 A
ATOM 2710 CB LEU A 372 21.127 85.713 56.248 00 36.86 A
ATOM 2711 CG LEU A 372 21.383 84.223 56.022 00 38.79 A
ATOM 2712 CDl LEU A 372 21.646 83.540 57.353 00 32.81 A
ATOM 2713 CD2 LEU A 372 20.181 83.601 55.326 00 39.91 A
ATOM 2714 C LEU A 372 23.556 86.174 56.195 00 36.51 A
ATOM 2715 O LEU A 372 23.722 86.569 55.041 00 39.49 A
ATOM 2716 N ARG A 373 24.465 85.465 56.858 00 41.74 A
ATOM 2717 CA ARG A 373 25.750 85.106 56.265 00 41.38 A
ATOM 2718 CB ARG A 373 26.767 84.778 57.359 00 40.53 A
ATOM 2719 CG ARG A 373 26.973 85.891 58.366 00 54.72 A
ATOM 2720 CD ARG A 373 28.281 85.723 59.138 00 64.46 A
ATOM 2721 NE ARG A 373 28.284 84.639 60.098 00 73.39 A
ATOM 2722 CZ ARG A 373 29.349 84.065 60.658 00 76.74 A
ATOM 2723 NHl ARG A 373 29.136 83.092 61.530 00 78.93 A
ATOM 2724 NH2 ARG A 373 30.599 84.412 60.361 00 73.11 A
ATOM 2725 C ARG A 373 25.601 83.891 55.343 00 37.98 A
ATOM 2726 O ARG A 373 24.719 83.060 55.540 00 35.10 A
ATOM 2727 N PHE A 374 26.461 83.802 54.333 00 35.96 A
ATOM 2728 CA PHE A 374 26.428 82.684 53.407 00 33.90 A
ATOM 2729 CB PHE A 374 25.346 82.891 52.341 00 31.61 A
ATOM 2730 CG PHE A 374 25.615 84.031 51.399 00 37.05 A
ATOM 2731 CDl PHE A 374 25.112 85.307 51.660 1.00 39.98 A
ATOM 2732 CD2 PHE A 374 26.340 83.823 50.227 1.00 33.96 A
ATOM 2733 CEl PHE A 374 25.320 86.358 50.763 1.00 35.26 A
ATOM 2734 CE2 PHE A 374 26.556 84.875 49.318 .00 40.62 A
ATOM 2735 CZ PHE A 374 26.045 86.138 49.585 ,00 34.68 A
ATOM 2736 C PHE A 374 27.780 82.508 52.740 ,00 32.92 A
ATOM 2737 O PHE A 374 28.571 83.441 52.665 .00 37.28 A
ATOM 2738 N ALA A 375 28.050 81.299 52.270 .00 40.13 A
ATOM 2739 CA ALA A 375 29.307 81.015 51.579 1.00 39.71 A
ATOM 2740 CB ALA A 375 30.037 79.866 52.259 00 36.01 A
ATOM 2741 C ALA A 375 28.991 80.647 50.129 00 35.49 A
ATOM 2742 O ALA A 375 27.883 80.206 49.818 00 33.85 A
ATOM 2743 N ILE A 376 29.960 80.846 49.247 00 33.62 A
ATOM 2744 CA ILE A 376 29.783 80.512 47.839 00 33.36 A
ATOM 2745 CB ILE A 376 30.024 81.728 46.914 00 35.48 A
ATOM 2746 CG2 ILE A 376 29.785 81.319 45.464 00 29.17 A
ATOM 2747 CGl ILE A 376 29.092 82.886 47.292 1.00 34.12 A
ATOM 2748 CDl ILE A 376 29.266 84.132 46.425 1.00 32.92 A
ATOM 2749 C ILE A 376 30.812 79.441 47.491 1.00 37.69 A
ATOM 2750 O ILE A 376 32.034 79.639 47.676 ,00 26.87 A
ATOM 2751 N ARG A 377 30.323 78.300 47.010 ,00 34.18 A
ATOM 2752 CA ARG A 377 31.215 77.212 46.632 ,00 33.59 A
ATOM 2753 CB ARG A 377 31.053 76.034 47.575 .00 35.13 A
ATOM 2754 CG ARG A 377 31.352 76.401 49.011 .00 48.62 A
ATOM 2755 CD ARG A 377 31.794 75.191 49.794 .00 45.23 A
ATOM 2756 NE ARG A 377 33.194 74.855 49.557 1.00 43.20 A
ATOM 2757 CZ ARG A 377 33.611 73.662 49.146 1.00 45.38 A
ATOM 2758 NHl ARG A 377 34.904 73.433 48.967 1.00 40.95 A
ATOM 2759 NH2 ARG A 377 32.729 72.703 48.899 1.00 48.36 A
ATOM 2760 C ARG A 377 30.958 76.768 45.212 .00 33.59 A
ATOM 2761 O ARG A 377 29.812 76.738 44.755 .00 31.01 A
ATOM 2762 N GLU A 378 32.032 76.420 44.516 .00 33.00 A
ATOM 2763 CA GLU A 378 31.909 75.998 43.138 .00 40.06 A
ATOM 2764 CB GLU A 378 31.587 77.219 42.269 .00 37.16 A
ATOM 2765 CG GLU A 378 31.206 76.900 40.848 1.00 42.77 A
ATOM 2766 CD GLU A 378 32.404 76.598 39.978 1.00 50.72 A
ATOM 2767 OEl GLU A 378 32.346 75.596 39.234 1.00 59.43 A ATOM 2768 OE2 GLU A 378 33.396 77.365 40.028 00 49.70 A
ATOM 2769 C GLU A 378 33.173 75.314 42.642 00 42.54 A
ATOM 2770 O GLU A 378 34.284 75.738 42.950 00 37.72 A
ATOM 2771 N GLY A 379 32.987 74.244 41.876 00 46.15 A
ATOM 2772 CA GLY A 379 34.113 73.515 41.328 00 50.50 A
ATOM 2773 C GLY A 379 35.000 72.820 42.342 00 51.83 A
ATOM 2774 O GLY A 379 36.177 72.585 42.068 00 54.36 A
ATOM 2775 N GLY A 380 34.455 72.497 43.511 00 50.99 A
ATOM 2776 CA GLY A 380 35.252 71.814 44.513 00 49.76 A
ATOM 2777 C GLY A 380 35.950 72.691 45.538 00 49.53 A
ATOM 2778 O GLY A 380 36.697 72.181 46.373 00 54.89 A
ATOM 2779 N ARG A 381 35.725 74.001 45.491 1.00 47.46 A
ATOM 2780 CA ARG A 381 36.351 74.885 46.463 1.00 46.57 A
ATOM 2781 CB ARG A 381 37.711 75.346 45.961 1.00 48.18 A
ATOM 2782 CG ARG A 381 37.664 76.388 44.878 .00 49.55 A
ATOM 2783 CD ARG A 381 39.084 76.825 44.588 1.00 52.75 A
ATOM 2784 NE ARG A 381 39.406 76.748 43.171 00 56.73 A
ATOM 2785 CZ ARG A 381 40.628 76.532 42.699 00 57.53 A
ATOM 2786 NHl ARG A 381 40.833 76.482 41.392 00 63.12 A
ATOM 2787 NH2 ARG A 381 41.640 76.349 43.537 00 61.34 A
ATOM 2788 C ARG A 381 35.514 76.101 46.848 1.00 42.90 A
ATOM 2789 O ARG A 381 34.506 76.406 46.219 1.00 44.30 A
ATOM 2790 N THR A 382 35.939 76.788 47.903 1.00 44.34 A
ATOM 2791 CA THR A 382 35.231 77.964 48.383 1.00 42.71 A
ATOM 2792 CB THR A 382 35.543 78.227 49.856 1.00 44.49 A
ATOM 2793 OGl THR A 382 35.163 77.080 50.627 1.00 40.80 A
ATOM 2794 CG2 THR A 382 34.778 79.452 50.358 1.00 39.09 A
ATOM 2795 C THR A 382 35.639 79.168 47.557 1.00 44.55 A
ATOM 2796 O THR A 382 36.822 79.508 47.474 1.00 48.17 A
ATOM 2797 N VAL A 383 34.653 79.815 46.952 1.00 38.45 A
ATOM 2798 CA VAL A 383 34.917 80.962 46.099 1.00 40.02 A
ATOM 2799 CB VAL A 383 34.117 80.844 44.778 1.00 36.45 A
ATOM 2800 CGl VAL A 383 34.218 82.129 43.975 1.00 47.02 A
ATOM 2801 CG2 VAL A 383 34.673 79.698 43.954 1.00 38.13 A
ATOM 2802 C VAL A 383 34.623 82.297 46.763 1.00 40.42 A
ATOM 2803 O VAL A 383 35.293 83.288 46.482 .00 42.03 A
ATOM 2804 N GLY A 384 33.636 82.324 47.650 .00 37.37 A
ATOM 2805 CA GLY A 384 33.304 83.571 48.307 .00 38.77 A
ATOM 2806 C GLY A 384 32.610 83.461 49.653 .00 39.16 A
ATOM 2807 O GLY A 384 32.069 82.424 50.028 00 40.01 A
ATOM 2808 N ALA A 385 32.631 84.563 50.386 .00 37.69 A
ATOM 2809 CA ALA A 385 32.006 84.642 51.697 00 40.99 A
ATOM 2810 CB ALA A 385 33.070 84.612 52.792 00 30.56 A
ATOM 2811 C ALA A 385 31.280 85.972 51.719 00 43.79 A
ATOM 2812 O ALA A 385 31.900 87.022 51.569 00 50.02 A
ATOM 2813 N GLY A 386 29.969 85.940 51.906 00 42.76 A
ATOM 2814 CA GLY A 386 29.243 87.186 51.917 00 38.30 A
ATOM 2815 C GLY A 386 28.149 87.248 52.949 00 45.86 A
ATOM 2816 O GLY A 386 28.055 86.417 53.852 00 42.30 A
ATOM 2817 N VAL A 387 27.309 88.257 52.800 00 47.27 A
ATOM 2818 CA VAL A 387 26.207 88.464 53.706 00 46.71 A
ATOM 2819 CB VAL A 387 26.640 89.377 54.877 00 53.63 A
ATOM 2820 CGl VAL A 387 27.054 90.747 54.355 00 50.03 A
ATOM 2821 CG2 VAL A 387 25.517 89.499 55.876 1.00 57.96 A
ATOM 2822 C VAL A 387 25.088 89.123 52.916 1.00 46.76 A
ATOM 2823 O VAL A 387 25.341 89.925 52.012 1.00 49.33 A
ATOM 2824 N VAL A 388 23.850 88.765 53.230 .00 41.43 A
ATOM 2825 CA VAL A 388 22.722 89.358 52.537 .00 48.15 A
ATOM 2826 CB VAL A 388 21.419 88.617 52.868 1.00 44.03 A ATOM 2827 CGl VAL A 388 20.264 89.239 52.104 00 44.57 A
ATOM 2828 CG2 VAL A 388 21.556 87.150 52.507 00 52.47 A
ATOM 2829 C VAL A 388 22.605 90.822 52.966 00 51.03 A
ATOM 2830 O VAL A 388 22.558 91.125 54.163 00 50.88 A
ATOM 2831 N ALA A 389 22.571 91.723 51.987 00 51.71 A
ATOM 2832 CA ALA A 389 22.473 93.154 52.257 00 53.64 A
ATOM 2833 CB ALA A 389 23.309 93.938 51.249 00 47.93 A
ATOM 2834 C ALA A 389 21.031 93.615 52.194 00 55.81 A
ATOM 2835 O ALA A 389 20.547 94.301 53.094 00 57.44 A
ATOM 2836 N LYS A 390 20.346 93.237 51.122 00 60.39 A
ATOM 2837 CA LYS A 390 18.959 93.625 50.940 00 59.51 A
ATOM 2838 CB LYS A 390 18.880 94.899 50.094 00 62.28 A
ATOM 2839 CG LYS A 390 17.480 95.444 49.900 00 65.91 A
ATOM 2840 CD LYS A 390 17.531 96.897 49.441 00 76.53 A
ATOM 2841 CE LYS A 390 18.211 97.779 50.495 00 81.35 A
ATOM 2842 NZ LYS A 390 18.208 99.238 50.159 00 82.64 A
ATOM 2843 C LYS A 390 18.161 92.512 50.288 00 57.23 A
ATOM 2844 O LYS A 390 18.537 91.981 49.244 00 57.50 A
ATOM 2845 ISl VAL A 391 17.060 92.160 50.933 00 54.77 A
ATOM 2846 CA VAL A 391 16.164 91.126 50.454 00 55.32 A
ATOM 2847 CB VAL A 391 15.354 90.561 51.633 00 54.20 A
ATOM 2848 CGl VAL A 391 13.883 90.555 51.314 00 55.36 A
ATOM 2849 CG2 VAL A 391 15.843 89.165 51.961 00 58.23 A
ATOM 2850 C VAL A 391 15.235 91.742 49.404 1.00 62.54 A
ATOM 2851 O VAL A 391 14.741 92.858 49.586 00 63.58 A
ATOM 2852 N LEU A 392 15.002 91.021 48.310 00 61.40 A
ATOM 2853 CA LEU A 392 14.149 91.518 47.233 1.00 61.49 A
ATOM 2854 CB LEU A 392 14.977 91.700 45.957 .00 57.11 A
ATOM 2855 CG LEU A 392 16.254 92.539 46.035 .00 54.58 A
ATOM 2856 CDl LEU A 392 16.973 92.493 44.697 1.00 54.55 A
' ATOM 2857 CD2 LEU A 392 15.916 93.971 46.405 1.00 56.29 A
ATOM 2858 C LEU A 392 12.978 90.582 46.938 1.00 66.28 A
ATOM 2859 O LEU A 392 11.827 90.889 47.252 1.00 64.99 A
ATOM 2860 N SER A 393 13.296 89.441 46.327 1.00 72.14 A
ATOM 2861 CA SER A 393 12.321 88.417 45.948 1.00 74.42 A
ATOM 2862 CB SER A 393 12.412 87.226 46.896 1.00 66.47 A
ATOM 2863 OG SER A 393 11.516 86.207 46.495 1.00 61.41 A
ATOM 2864 C SER A 393 10.879 88.909 45.890 .00 80.00 A
ATOM 2865 OTl SER A 393 10.047 88.401 46.676 .00 82.50 A
ATOM 2866 OT2 SER A 393 10.599 89.795 45.053 .00 83.66 A
ATOM 2867 PG GNP A 394 38.398 58.497 58.142 .00 41.37 A
ATOM 2868 OGl GNP A 394 37.124 58.899 58.853 .00 26.83 A
ATOM 2869 OG2 GNP A 394 39.063 59.731 57.715 ,00 35.93 A
ATOM 2870 OG3 GNP A 394 37.988 57.492 57.098 .00 51.12 A
ATOM 2871 NB3 GNP A 394 39.355 57.762 59.317 .00 39.57 A
ATOM 2872 PB GNP A 394 39.526 58.179 60.899 .00 39.06 A
ATOM 2873 OBl GNP A 394 40.421 59.383 61.040 .00 32.39 A
ATOM 2874 OB2 GNP A 394 38.171 58.375 61.551 .00 22.79 A
ATOM 2875 OA3 GNP A 394 40.290 56.918 61.528 .00 40.66 A
ATOM 2876 PA GNP A 394 39.777 55.751 62.484 1.00 42.91 A
ATOM 2877 OAl GNP A 394 39.355 56.279 63.818 .00 42.46 A
ATOM 2878 OA2 GNP A 394 38.699 54.999 61.753 .00 35.18 A
ATOM 2879 05* GNP A 394 41.114 54.906 62.653 .00 42.12 A
ATOM 2880 C5* GNP A 394 42.012 54.616 61.571 .00 42.26 A
ATOM 2881 C4* GNP A 394 42.915 53.457 61.937 1.00 41.30 A
ATOM 2882 04* GNP A 394 44.043 53.769 62.823 1.00 41.83 A
ATOM 2883 C3* GNP A 394 42.269 52.229 62.608 1.00 48.55 A
ATOM 2884 03* GNP A 394 42.868 51.006 62.183 1.00 44.78 A
ATOM 2885 C2* GNP A 394 42.470 52.488 64.087 1.00 39.02 A DK2006/000077
71
ATOM 2886 02* GNP A 394 42.395 51.387 64.958 1.00 41.70 A
ATOM 2887 Cl* GNP A 394 43.830 53.165 64.094 1.00 42.37 A
ATOM 2888 N9 GNP A 394 44.036 54.064 65.241 1.00 48.93 A
ATOM 2889 C8 GNP A 394 43.228 55.097 65.694 1.00 45.28 A
ATOM 2890 N7 GNP A 394 43.703 55.699 66.744 1.00 44.42 A
ATOM 2891 C5 GNP A 394 44.891 55.041 67.016 1.00 48.65 A
ATOM 2892 C6 GNP A 394 45.874 55.251 68.064 1.00 46.43 A
ATOM 2893 06 GNP A 394 45.841 56.091 68.961 1.00 49.19 A
ATOM 2894 Nl GNP A 394 46.972 54.348 67.988 1.00 42.92 A
ATOM 2895 C2 GNP A 394 47.110 53.356 67.016 1.00 45.23 A
ATOM 2896 N2 GNP A 394 48.204 52.592 67.087 1.00 44.23 A
ATOM 2897 N3 GNP A 394 46.185 53.153 66.028 1.00 45.73 A
ATOM 2898 C4 GNP A 394 45.116 54.028 66.093 1.00 44.55 A
ATOM 2899 MG+2 MG2 A 395 36.468 58.160 60.524 1.00 35.76 A
ATOM 2900 Cl ENX A 396 26.106 77.876 55.953 1.00 43.46 A
ATOM 2901 C2 ENX A 396 27.439 78.335 55.430 1.00 43.20 A
ATOM 2902 C3 ENX A 396 28.014 79.405 56.279 1.00 46.22 A
ATOM 2903 C4 ENX A 396 29.235 79.927 56.092 1.00 46.59 A
ATOM 2904 C5 ENX A 396 29.807 81.005 56.977 1.00 48.26 A
ATOM 2905 C6 ENX A 396 31.057 81.701 56.361 1.00 41.50 A
ATOM 2906 C7 ENX A 396 31.633 82.773 57.313 1.00 42.38 A
ATOM 2907 C8 ENX A 396 32.863 83.477 56.740 1.00 44.00 A
ATOM 2908 C9 ENX A 396 33.564 84.374 57.729 1.00 49.00 A
ATOM 2909 ClO ENX A 396 34.723 85.248 57.192 1.00 46.50 A
ATOM 2910 CIl ENX A 396 35.699 84.370 56.361 1.00 41.96 A
ATOM 2911 C12 ENX A 396 36.796 85.173 55.617 1.00 39.98 A
ATOM 2912 C13 ENX A 396 37.704 84.224 54.868 1.00 33.14 A
ATOM 2913 C14 ENX A 396 39.008 84.089 55.204 1.00 35.76 A
ATOM 2914 C15 ENX A 396 39.970 83.202 54.582 1.00 34.41 A
ATOM 2915 C16 ENX A 396 41.254 83.143 54.979 1.00 40.36 A
ATOM 2916 C17 ENX A 396 42.193 82.227 54.373 1.00 34.63 A
ATOM 2917 C18 ENX A 396 43.503 82.079 54.671 1.00 33.70 A
ATOM 2918 C19 ENX A 396 44.234 81.030 53.952 1.00 35.51 A
ATOM 2919 C20 ENX A 396 45.554 80.749 54.054 1.00 43.32 A
ATOM 2920 C21 ENX A 396 46.243 79.927 53.086 1.00 47.79 A
ATOM 2921 C22 ENX A 396 47.558 79.620 53.190 1.00 52.53 A
ATOM 2922 C23 ENX A 396 48.214 78.625 52.317 1.00 54.83 A
ATOM 2923 024 ENX A 396 47.322 77.995 51.435 1.00 59.91 A
ATOM 2924 C25 ENX A 396 47.795 76.983 50.493 1.00 59.90 A
ATOM 2925 C26 ENX A 396 48.398 77.718 49.274 1.00 63.54 A
ATOM 2926 C27 ENX A 396 47.316 78.523 48.526 1.00 64.93 A
ATOM 2927 C28 ENX A 396 47.906 79.233 47.332 1.00 66.34 A
ATOM 2928 029 ENX A 396 30.139 80.448 58.282 1.00 56.73 A
ATOM 2929 CL30 ENX A 396 30.635 82.384 54.797 1.00 18.81 A
ATOM 2930 031 ENX A 396 30.615 83.733 57.581 1.00 54.20 A
ATOM 2931 032 ENX A 396 35.432 85.894 58.249 1.00 47.42 A
ATOM 2932 033 ENX A 396 36.259 83.436 57.287 1.00 38.74 A
ATOM 2933 C34 ENX A 396 36.182 86.191 54.635 1.00 42.77 A
ATOM 2934 CL35 ENX A 396 36.989 83.323 53.586 1.00 25.95 A
ATOM 2935 C36 ENX A 396 44.232 82.885 55.705 1.00 35.15 A
ATOM 2936 037 ENX A 396 49.418 78.312 52.291 1.00 54.07 A
ATOM 2937 C38 ENX A 396 46.633 76.067 50.018 1.00 61.31 A
ATOM 2938 C39 ENX A 396 45.538 76.855 49.273 1.00 60.46 A
ATOM 2939 C40 ENX A 396 46.148 77.607 48.079 1.00 62.07 A
ATOM 2940 041 ENX A 396 46.014 75.389 51.104 1.00 66.75 A
ATOM 2941 C42 ENX A 396 29.269 80.608 59.373 1.00 58.88 A
ATOM 2942 N43 ENX A 396 29.792 80.083 60.522 1.00 63.34 A
ATOM 2943 044 ENX A 396 28.146 81.163 59.254 1.00 52.53 A
ATOM 2944 045 ENX A 396 33.242 84.433 58.926 1.00 50.12 A ATOM 2945 046 ENX A 396 48.028 78.846 46.162 1.00 64.53 A
ATOM 2946 047 ENX A 396 48.373 80.492 47.610 1.00 68.40 A
ATOM 2947 CB GLU B 6 17.820 79.256 1.315 1.00118.92 B
ATOM 2948 CG GLU B 6 16.823 80.223 1.977 1.00119.12 B
ATOM 2949 CD GLU B 6 16.027 79.597 3.121 1.00120.63 B
ATOM 2950 OEl GLU B 6 15.268 78.635 2.873 1.00119.71 B
ATOM 2951 OE2 GLU B 6 16.157 80.072 4.271 1.00119.21 B
ATOM 2952 C GLU B 6 20.078 78.161 1.489 1.00117.26 B
ATOM 2953 O GLU B 6 20.449 78.747 0.469 1.00119.63 B
ATOM 2954 N GLU B 6 19.306 79.675 3.252 1.00119.01 B
ATOM 2955 CA GLU B 6 18.855 78.647 2.272 1.00118.20 B
ATOM 2956 N ARG B 7 20.703 77.091 1.975 1.00113.48 B
ATOM 2957 CA ARG B 7 21.893 76.538 1.338 1.00108.01 B
ATOM 2958 CB ARG B 7 23.147 77.008 2.084 1.00108.03 B
ATOM 2959 CG ARG B 7 23.576 78.425 1.752 1.00109.62 B
ATOM 2960 CD ARG B 7 23.979 78.517 0.291 1.00108.41 B
ATOM 2961 NE ARG B 7 24.993 77.520 -0.042 1.00106.21 B
ATOM 2962 CZ ARG B 7 25.403 77.251 -1.277 1.00103.11 B
ATOM 2963 NHl ARG B 7 24.884 77.906 -2.306 1.00103.77 B
ATOM 2964 NH2 ARG B 7 26.333 76.329 -1.484 1.00100.26 B
ATOM 2965 C ARG B 7 21.902 75.016 1.271 1.00105.22 B
ATOM 2966 O ARG B 7 20.910 74.355 1.585 1.00102.74 B
ATOM 2967 N THR B 8 23.042 74.476 0.846 1.00102.66 B
ATOM ' 2968 CA THR B 8 23.248 73.035 0.740 1.00 97.85 B
ATOM 2969 CB THR B 8 23.498 72.595 -0.734 1.00100.78 B
ATOM 2970 OGl THR B 8 22.283 72.714 -1.488 1.00101.61 B
ATOM 2971 CG2 THR B 8 23.983 71.150 -0.795 1.00100.81 B
ATOM 2972 C THR B 8 24.474 72.684 1.579 1.00 91.30 B
ATOM 2973 O THR B 8 24.678 71.525 1.938 1.00 92.96 B
ATOM 2974 N LYS B 9 25.273 73.702 1.899 1.00 82.57 B
ATOM 2975 CA LYS B 9 26.493 73.535 2.689 1.00 72.15 B
ATOM 2976 CB LYS B 9 27.244 74.866 2.801 1.00 69.79 B
ATOM 2977 CG LYS B 9 27.598 75.493 1.468 1.00 67.47 B
ATOM 2978 CD LYS B 9 29.096 75.684 1.291 1.00 63.24 B
ATOM 2979 CE LYS B 9 29.663 76.703 2.257 1.00 54.89 B
ATOM 2980 NZ LYS B 9 30.984 77.197 1.776 1.00 62.41 B
ATOM 2981 C LYS B 9 26.229 73.003 4.094 1.00 66.81 B
ATOM 2982 O LYS B 9 25.771 73.741 4.971 1.00 67.32 B
ATOM 2983 N PRO B 10 26.537 71.717 4.328 1.00 58.29 B
ATOM 2984 CD PRO B 10 27.168 70.823 3.340 1.00 52.17 B
ATOM 2985 CA PRO B 10 26.356 71.031 5.613 1.00 58.37 B
ATOM 2986 CB PRO B 10 27.107 69.711 5.405 1.00 55.14 B
ATOM 2987 CG PRO B 10 26.937 69.455 3.933 1.00 52.63 B
ATOM 2988 C PRO B 10 26.926 71.832 6.790 1.00 55.41 B
ATOM 2989 O PRO B 10 27.976 72.462 6.662 1.00 53.21 B
ATOM 2990 N HIS B 11 26.227 71.813 7.922 1.00 51.19 B
ATOM 2991 CA HIS B 11 26.683 72.504 9.123 1.00 47.40 B
ATOM 2992 CB HIS B 11 25.507 72.983 9.963 1.00 53.41 B
ATOM 2993 CG HIS B 11 25.233 74.444 9.851 1.00 57.65 B
ATOM 2994 CD2 HIS B 11 24.889 75.208 8.787 1.00 60.38 B
ATOM 2995 NDl HIS B 11 25.235 75.283 10.946 1.00 62.32 B
ATOM 2996 CEl HIS B 11 24.897 76.502 10.561 1.00 67.70 B
ATOM 2997 NE2 HIS B 11 24.682 76.483 9.256 1.00 65.67 B
ATOM 2998 C HIS B 11 27.469 71.538 9.978 1.00 42.17 B
ATOM 2999 O HIS B 11 27.028 70.402 10.190 1.00 43.89 B
ATOM 3000 N VAL B 12 28.618 71.989 10.475 1.00 32.31 B
ATOM 3001 CA VAL B 12 29.443 71.166 11.353 1.00 34.37 B
ATOM 3002 CB VAL B 12 30.675 70.594 10.626 1.00 34.60 B
ATOM 3003 CGl VAL B 12 31.484 69.755 11.598 1.00 35.45 B ATOM 3004 CG2 VAL B 12 30.244 69.755 9.407 .00 28.57 B
ATOM 3005 C VAL B 12 29.918 72.013 12.534 .00 35.10 B
ATOM 3006 O VAL B 12 30.413 73.124 12.345 .00 35.31 B
ATOM 3007 N ASN B 13 29.754 71.490 13.746 .00 32.64 B
ATOM 3008 CA ASN B 13 30.158 72.196 14.956 1.00 28.55 B
ATOM 3009 CB ASN B 13 29.133 71.981 16.067 00 32.02 B
ATOM 3010 CG ASN B 13 27.915 72.868 15.925 00 40.36 B
ATOM 3011 ODl ASN B 13 27.587 73.638 16.835 00 50.28 B
ATOM 3012 ND2 ASN B 13 27.233 72.764 14.798 00 20.86 B
ATOM 3013 C ASN B 13 31.507 71.719 15.453 00 29.45 B
ATOM 3014 O ASN B 13 31.687 70.531 15.724 00 28.13 B
ATOM 3015 N VAL B 14 32.449 72.650 15.576 00 23.46 B
ATOM 3016 CA VAL B 14 33.780 72.328 16.062 1.00 23.99 B
ATOM 3017 CB VAL B 14 34.811 72.341 14.926 00 26.77 B
ATOM 3018 CGl VAL B 14 34.489 71.246 13.927 00 19.82 B
ATOM 3019 CG2 VAL B 14 34.826 73.699 14.244 00 22.21 B
ATOM 3020 C VAL B 14 34.193 73.325 17.136 00 30.28 B
ATOM 3021 O VAL B 14 33.361 74.073 17.653 1.00 34.98 B
ATOM 3022 N GLY B 15 35.473 73.330 17.482 00 28.31 B
ATOM 3023 CA GLY B 15 35.937 74.237 18.512 00 25.44 B
ATOM 3024 C GLY B 15 37.384 74.005 18.875 1.00 29.53 B
ATOM 3025 O GLY B 15 38.011 73.069 18.397 .00 35.37 B
ATOM 3026 N THR B 16 37.919 74.860 19.735 .00 31.72 B
ATOM 3027 CA THR B 16 39.307 74.752 20.146 1.00 33.63 B
ATOM 3028 CB THR B 16 40.043 76.086 19.904 00 36.71 B
ATOM 3029 OGl THR B 16 39.085 77.155 19.900 00 34.66 B
ATOM 3030 CG2 THR B 16 40.790 76.058 18.579 00 30.42 B
ATOM 3031 C THR B 16 39.414 74.398 21.622 00 35.67 B
ATOM 3032 O THR B 16 38.619 74.856 22.439 00 36.41 B
ATOM 3033 N ILE B 17 40.404 73.575 21.949 00 32.14 B
ATOM 3034 CA ILE B 17 40.652 73.168 23.318 00 29.78 B
ATOM 3035 CB ILE B 17 39.978 71.819 23.640 00 29.29 B
ATOM 3036 CG2 ILE B 17 38.460 71.961 23.542 00 21.58 B
ATOM 3037 CGl ILE B 17 40.486 70.732 22.690 00 32.84 B
ATOM 3038 CDl ILE B 17 39.886 69.344 22.965 00 20.60 B
ATOM 3039 C ILE B 17 42.163 73.056 23.467 00 32.35 B
ATOM 3040 O ILE B 17 42.890 73.058 22.468 00 28.26 B
ATOM 3041 N GLY B 18 42.637 72.976 24.707 00 29.67 B
ATOM 3042 CA GLY B 18 44.065 72.885 24.936 00 31.73 B
ATOM 3043 C GLY B 18 44.473 73.722 26.128 1.00 29.84 B
ATOM 3044 O GLY B 18 43.684 74.513 26.646 1.00 29.28 B
ATOM 3045 N HIS B 19 45.717 73.553 26.553 00 34.17 B
ATOM 3046 CA HIS B 19 46.256 74.265 27.709 00 39.98 B
ATOM 3047 CB HIS B 19 47.682 73.775 27.984 1.00 39.93
ATOM 3048 CG HIS B 19 48.188 74.123 29.346 , 00 43.36 B
ATOM 3049 CD2 HIS B 19 48.042 73.493 30.535 .00 42.19 B
ATOM 3050 NDl HIS B 19 48.938 75.251 29.599 1.00 47.99 B
ATOM 3051 CEl HIS B 19 49.235 75.300 30.885 1.00 50.65 B
ATOM 3052 NE2 HIS B 19 48.702 74.245 31.475 1.00 49.93 B
ATOM 3053 C HIS B 19 46.237 75.787 27.589 00 40.25 B
ATOM 3054 O HIS B 19 46.222 76.350 26.484 00 38.11 B
ATOM 3055 N VAL B 20 46.232 76.440 28.747 00 38.71 B
ATOM 3056 CA VAL B 20 46.217 77.895 28.842 00 38.71 B
ATOM 3057 CB VAL B 20 46.414 78.356 30.315 00 40.72 B
ATOM 3058 CGl VAL B 20 46.254 79.861 30.420 00 38.08 B
ATOM 3059 CG2 VAL B 20 45.422 77.662 31.210 00 49.85 B
ATOM 3060 C VAL B 20 47.315 78.530 27.989 00 37.39 B
ATOM 3,061 O VAL B 20 48.486 78.137 28.071 00 35.21 B
ATOM 3062 N ASP B 21 46.919 79.510 27.180 1.00 35.32 B ATOM 3063 CA ASP B 21 47.826 80.250 26.297 .00 40.34 B
ATOM 3064 CB ASP B 21 48.830 81.067 27.116 .00 35.03 B
ATOM 3065 CG ASP B 21 48.179 82.232 27.842 .00 44.62 B
ATOM 3066 ODl ASP B 21 47.100 82.697 27.399 .00 42.55 B
ATOM 3067 OD2 ASP B 21 48.758 82.692 28.847 .00 47.32 B
ATOM 3068 C ASP B 21 48.591 79.468 25.230 .00 40.15 B
ATOM 3069 O ASP B 21 49.610 79.952 24.713 .00 34.96 B
ATOM 3070 N HIS B 22 48.123 78.273 24.887 .00 32.76 B
ATOM 3071 CA HIS B 22 48.811 77.518 23.850 .00 34.32 B
ATOM 3072 CB HIS B 22 48.486 76.027 23.972 .00 35.22 B
ATOM 3073 CG HIS B 22 49.482 75.265 24.795 .00 37.53 B
ATOM 3074 CD2 HIS B 22 49.878 73.969 24.747 .00 31.77 B
ATOM 3075 NDl HIS B 22 50.209 75.849 25.812 .00 40.99 B
ATOM 3076 CEl HIS B 22 51.014 74.949 26.351 .00 29.52 B
ATOM 3077 NE2 HIS B 22 50.832 73.800 25.723 .00 36.34 B
ATOM 3078 C HIS B 22 48.459 78.082 22.459 .00 29.92 B
ATOM 3079 O HIS B 22 49.143 77.795 21.476 .00 28.39 B
ATOM 3080 ISl GLY B 23 47.402 78.894 22.394 .00 24.21 B
ATOM 3081 CA GLY B 23 47.026 79.539 21.142 .00 29.62 B
ATOM 3082 C GLY B 23 45.626 79.322 20.596 .00 33.90 B
ATOM 3083 O GLY B 23 45.392 79.560 19.408 .00 26.68 B
ATOM 3084 N LYS B 24 44.695 78.891 21.444 .00 31.82 B
ATOM 3085 CA LYS B 24 43.325 78.627 21.010 1.00 31.16 B
ATOM 3086 CB LYS B 24 42.489 78.146 22.200 00 34.71 B
ATOM 3087 CG LYS B 24 42.913 76.791 22.785 00 26.56 B
ATOM 3088 CD LYS B 24 42.047 76.410 24.006 00 35.74 B
ATOM 3089 CE LYS B 24 42.248 77.394 25.173 00 31.08 B
ATOM 3090 NZ LYS B 24 43.679 77.408 25.606 00 34.86 B
ATOM 3091 C LYS B 24 42.618 79.811 20.339 00 31.10 B
ATOM 3092 O LYS B 24 42.081 79.692 19.233 00 26.96 B
ATOM 3093 N THR B 25 42.616 80.954 21.013 00 34.06 B
ATOM 3094 CA THR B 25 41.949 82.142 20.502 00 29.07 B
ATOM 3095 CB THR B 25 41.867 83.212 21.627 00 36.04 B
ATOM 3096 OGl THR B 25 41.145 82.656 22.737 1.00 28.77 B
ATOM 3097 CG2 THR B 25 41.150 84.483 21.153 1.00 19.69 B
ATOM 3098 C THR B 25 42.623 82.709 19.239 1.00 33.42 B
ATOM 3099 O THR B 25 41.936 83.142 18.304 1.00 33.20 B
ATOM 3100 N THR B 26 43.957 82.689 19.201 1.00 28.79 B
ATOM 3101 CA THR B 26 44.698 83.196 18.052 00 28.23 B
ATOM 3102 CB THR B 26 46.228 83.202 18.311 00 39.41 B
ATOM 3103 OGl THR B 26 46.511 83.892 19.535 00 37.69 B
ATOM 3104 CG2 THR B 26 46.964 83.915 17.180 00 26.42 B
ATOM 3105 C THR B 26 44.422 82.311 16.839 00 37.22 B
ATOM 3106 O THR B 26 44.283 82.806 15.716 00 38.03 B
ATOM 3107 N LEU B 27 44.346 81.000 17.068 00 35.09 B
ATOM 3108 CA LEU B 27 44.073 80.059 15.988 00 35.13 B
ATOM 3109 CB LEU B 27 44.165 78.613 16.473 00 29.69 B
ATOM 3110 CG LEU B 27 43.844 77.589 15.381 1.00 32.07 B
ATOM 3111 CDl LEU B 27 44.867 77.734 14.246 00 23.40 B
ATOM 3112 CD2 LEU B 27 43.871 76.177 15.956 00 26.12 B
ATOM 3113 C LEU B 27 42.677 80.310 15.440 00 34.82 B
ATOM 3114 O LEU B 27 42.471 80.331 14.227 1.00 35.68 B
ATOM 3115 N THR B 28 41.721 80.498 16.338 1.00 30.79
ATOM 3116 CA THR B 28 40.351 80.759 15.932 1.00 32.30 B
ATOM 3117 CB THR B 28 39.464 81.062 17.150 00 35.09 B
ATOM 3118 OGl THR B 28 39.492 79.936 18.047 00 36.16 B
ATOM 3119 CG2 THR B 28 38.040 81.342 16.708 00 23.58 B
ATOM 3120 C THR B 28 40.324 81.962 14.992 00 32.75 B
ATOM 3121 O THR B 28 39.668 81.936 13.948 1.00 29.44 B ATOM 3122 N ALA B 29 41.047 83.013 15.366 1.00 31.41 B
ATOM 3123 CA ALA B 29 41.111 84.223 14.551 1.00 28.56 B
ATOM 3124 CB ALA B 29 41.874 85.318 15.299 1.00 28.76 B
ATOM 3125 C ALA B 29 41.795 83.908 13.212 1.00 29.88 B
ATOM 3126 O ALA B 29 41.316 84.305 12.157 1.00 26.31 B
ATOM 3127 N ALA B 30 42.903 83.174 13.260 1.00 29.73 B
ATOM 3128 CA ALA B 30 43.629 82.801 12.044 1.00 29.66 B
ATOM 3129 CB ALA B 30 44.895 82.027 12.403 1.00 23.68 B
ATOM 3130 C ALA B 30 42.779 81.980 11.070 1.00 27.33 B
ATOM 3131 0 ALA B 30 42.917 82.106 9.856 1.00 30.44 B
ATOM 3132 N ILE B 31 41.896 81.139 11.592 1.00 28.56 B
ATOM 3133 CA ILE B 31 41.052 80.330 10.727 1.00 27.61 B
ATOM 3134 CB ILE B 31 40.320 79.231 11.552 1.00 32.03 B
ATOM 3135 CG2 ILE B 31 39.274 78.525 10.693 1.00 24.19 B
ATOM 3136 CGl ILE B 31 41.358 78.235 12.100 1.00 34.67 B
ATOM 3131 CDl ILE B 31 40.776 77.141 12.995 1.00 30.70 B
ATOM 3138 C ILE B 31 40.050 81.216 9.970 1.00 28.86 B
ATOM 3139 O ILE B 31 39.955 81.147 8.755 1.00 28.16 B
ATOM 3140 N THR B 32 39.314 82.069 10.675 1.00 32.46 B
ATOM 3141 CA THR B 32 38.341 82.932 9.998 1.00 34.37 B
ATOM 3142 CB THR B 32 37.533 83.796 11.002 1.00 33.05 B
ATOM 3143 OGl THR B 32 38.443 84.499 11.857 1.00 31.22 B
ATOM 3144 CG2 THR B 32 36.602 82.920 11.844 1.00 28.32 B
ATOM 3145 C THR B 32 38.962 83.874 8.961 1.00 32.60 B
ATOM 3146 O THR B 32 38.444 84.010 7.854 1.00 32.61 B
ATOM 3147 N THR B 33 40.077 84.516 9.291 1.00 30.82 B
ATOM 3148 CA THR B 33 40.657 85.442 8.335 1.00 31.97 B
ATOM 3149 CB THR B 33 41.599 86.477 9.020 1.00 35.39 B
ATOM 3150 OGl THR B 33 42.946 86.259 8.602 1.00 41.99
ATOM 3151 CG2 THR B 33 41.514 86.387 10.524 1.00 20.91 B
ATOM 3152 C THR B 33 41.371 84.800 7.140 1.00 36.29 B
ATOM 3153 O THR B 33 41.370 85.367 6.048 1.00 36.74 B
ATOM 3154 N VAL B 34 41.980 83.630 7.321 1.00 35.28 B
ATOM 3155 CA VAL B 34 42.644 82.981 6.196 1.00 31.30 B
ATOM 3156 CB VAL B 34 43.631 81.902 6.662 1.00 34.34 B
ATOM 3157 CGl VAL B 34 44.114 81.090 5.471 1.00 31.12 B
ATOM 3158 CG2 VAL B 34 44.816 82.564 7.344 1.00 23.08 B
ATOM 3159 C VAL B 34 41.594 82.371 5.270 1.00 34.52 B
ATOM 3160 O VAL B 34 41.706 82.457 4.046 1.00 37.68 B
ATOM 3161 N LEU B 35 40.561 81.778 5.851 1.00 32.15 B
ATOM 3162 CA LEU B 35 39.498 81.200 5.050 1.00 33.17 B
ATOM 3163 CB LEU B 35 38.520 80.444 5.954 1.00 31.44 B
ATOM 3164 CG LEU B 35 38.580 78.911 5.912 1.00 32.91 B
ATOM 3165 CDl LEU B 35 40.019 78.437 5.889 1.00 25.30 B
ATOM 3166 CD2 LEU B 35 37.827 78.344 7.115 1.00 26.58 B
ATOM 3167 C LEU B 35 38.774 82.300 4.263 1.00 34.73 B
ATOM 3168 O LEU B 35 38.512 82.148 3.064 1.00 36.03 B
ATOM 3169 N ALA B 36 38.464 83.410 4.927 1.00 34.10 B
ATOM 3170 CA ALA B 36 37.772 84.522 4.268 1.00 38.29 B
ATOM 3171 CB ALA B 36 37.407 85.608 5.297 1.00 26.87 B
ATOM 3172 C ALA B 36 38.637 85.123 3.155 1.00 38.70 B
ATOM 3173 O ALA B 36 38.140 85.496 2.090 1.00 37.92 B
ATOM 3174 N LYS B 37 39.936 85.202 3.408 1.00 37.63 B
ATOM 3175 CA LYS B 37 40.880 85.752 2.444 1.00 38.37 B
ATOM 3176 CB LYS B1 37 42.181 86.102 3.173 1.00 34.96 B
ATOM 3177 CG LYS B 37 43.409 86.274 2.286 1.00 39.45 B
ATOM 3178 CD LYS B 37 44.650 86.511 3.146 1.00 42.94 B
ATOM 3179 CE LYS B 37 45.912 86.671 2.307 1.00 43.19 B
ATOM 3180 NZ LYS B 37 47.122 86.958 3.144 1.00 36.18 B ATOM 3181 C LYS B 37 41.174 84.810 1 .261 1.00 43.29 B
ATOM 3182 O LYS B 37 41.441 85.264 0. 141 1.00 48.99 B
ATOM 3183 N THR B 38 41.126 83.504 1 . 501 1.00 41.91 B
ATOM 3184 CA THR B 38 41.400 82.539 0 . 439 1.00 39.15 B
ATOM 3185 CB THR B 38 42.022 81.251 1 . 013 1.00 40.17 B
ATOM 3186 OGl THR B 38 43.244 81.568 1., 697 1.00 29.72 B
ATOM 3187 CG2 THR B 38 42.305 80.261 -0.100 1.00 35.58 B
ATOM 3188 C THR B 38 40.173 82.140 -0.397 1.00 42.50 B
ATOM 3189 O THR B 38 40.252 82.036 -1.618 1.00 42.80 B
ATOM 3190 N TYR B 39 39.037 81.930 0.249 1.00 41.72 B
ATOM 3191 CA TYR B 39 37.862 81.508 -0.487 1.00 48.25 B
ATOM 3192 CB TYR B 39 37.295 80.257 0.180 1.00 42.72 B
ATOM 3193 CG TYR B 39 38.337 79.168 0.336 1.00 37.84 B
ATOM 3194 CDl TYR B 39 38.983 78.633 -0.782 1.00 36.03 B
ATOM 3195 CEl TYR B 39 39.942 77.615 -0.655 1.00 29.66 B
ATOM 3196 CD2 TYR B 39 38.674 78.665 1.597 1.00 32.93 B
ATOM 3197 CE2 TYR B 39 39.632 77.648 1.738 1.00 31.72 B
ATOM 3198 CZ TYR B 39 40.257 77.126 0.604 1.00 35.09 B
ATOM 3199 OH TYR B 39 41.161 76.091 0.720 1.00 33.48 B
ATOM 3200 C TYR B 39 36.794 82.585 -0.659 1.00 56.31 B
ATOM 3201 O TYR B 39 35.663 82.294 -1.056 1.00 57.25 B
ATOM 3202 N GLY B 40 37.170 83.833 -0.390 1.00 61.17 B
ATOM 3203 CA GLY B 40 36.236 84.933 -0.542 1.00 68.14 B
ATOM 3204 C GLY B 40 34.971 84.689 0.250 1.00 74.99 B
ATOM 3205 O GLY B 40 34.975 83.893 1.191 1.00 80.31 B
ATOM 3206 N ALA B 57 21.885 90.427 11.768 1.00 90.66 B
ATOM 3207 CA ALA B 57 21.805 88.969 11.885 1.00 91.30 B
ATOM 3208 CB ALA B 57 21.781 88.337 10.495 1.00 84.91 B
ATOM 3209 C ALA B 57 22.987 88.437 12.689 1.00 93.51 B
ATOM 3210 O ALA B 57 24.140 88.641 12.320 1.00 94.67 B
ATOM 3211 N ARG B 58 22.688 87.740 13.782 1.00 96.38 B
ATOM 3212 CA ARG B 58 23.721 87.186 14.659 1.00 98.30 B
ATOM 3213 CB ARG B 58 23.612 87.870 16.020 1.00 97.47 B
ATOM 3214 CG ARG B 58 23.587 89.390 15.936 1.00 96.02 B
ATOM 3215 CD ARG B 58 23.361 89.968 17.311 1.00 97.87 B
ATOM 3216 NE ARG B 58 23.233 91.418 17.302 1.00 97.62 B
ATOM 3217 CZ ARG B 58 22.978 92.145 18.384 1.00 97.38 B
ATOM 3218 NHl ARG B 58 22.823 91.553 19.562 1.00 95.82 B
ATOM 3219 NH2 ARG B 58 22.877 93.464 18.288 1.00 95.21 B
ATOM 3220 C ARG B 58 23.683 85.648 14.810 1.00 99.41 B
ATOM 3221 O ARG B 58 24.663 84.968 14.491 1.00101.86 B
ATOM 3222 N GLY B 59 22.575 85.105 15.311 1.00 97.81 B
ATOM 3223 CA GLY B 59 22.433 83.662 15.474 1.00 97.72 B
ATOM 3224 C GLY B 59 23.610 82.855 16.008 1.00 98.16 B
ATOM 3225 O GLY B 59 24.346 82.238 15.247 1.00101.96 B
ATOM 3226 N ILE B 60 23.741 82.840 17.329 1.00 97.23 B
ATOM 3227 CA ILE B 60 24.775 82.168 18.136 1.00 96.33 B
ATOM 3228 CB ILE B 60 25.169 80.725 17.664 1.00 95.60 B
ATOM 3229 CG2 ILE B 60 23.936 79.950 17.300 1.00 93.52
ATOM 3230 CGl ILE B 60 26.204 80.771 16.536 1.00 97.51 B
ATOM 3231 CDl ILE B 60 26.873 79.445 16.263 1.00 99.83 B
ATOM 3232 C ILE B 60 26.058 82.958 18.323 1.00 95.36 B
ATOM 3233 O ILE B 60 26.724 82.777 19.338 1.00 97.14 B
ATOM 3234 N THR B 61 26.410 83.825 17.371 1.00 94.26 B
ATOM 3235 CA THR B 61 27.636 84.623 17.501 1.00 92.72 B
ATOM 3236 CB THR B 61 28.110 85.217 16.138 1.00 93.67 B
ATOM 3237 OGl THR B 61 27.056 85.997 15.560 1.00 91.58 B
ATOM 3238 CG2 THR B 61 28.521 84.105 15.169 1.00 93.76
ATOM 3239 C THR B 61 27.475 85.769 18.509 1.00 90.67 ATOM 3240 O THR B 61 28.413 86.542 18.759 .00 87.00 B
ATOM 3241 N ILE B 62 26.278 85.878 19.080 .00 91.23 B
ATOM 3242 CA ILE B 62 26.007 86.897 20.083 .00 94.44 B
ATOM 3243 CB ILE B 62 24.537 86.823 20.580 .00 96.95 B
ATOM 3244 CG2 ILE B 62 24.221 85.416 21.084 .00 95.81 B
ATOM 3245 CGl ILE B 62 24.307 87.845 21.705 .00 96.93 B
ATOM 3246 CDl ILE B 62 24.596 89.292 21.326 .00 95.65 B
ATOM 3247 C ILE B 62 26.963 86.598 21.238 .00 94.31 B
ATOM 3248 O ILE B 62 27.288 87.478 22.037 .00 91.03 B
ATOM 3249 N ASN B 63 27.411 85.344 21.296 .00 93.30 B
ATOM 3250 CA ASN B 63 28.353 84.868 22.302 .00 91.11 B
ATOM 3251 CB ASN B 63 28.126 83.373 22.556 .00 93.20 B
ATOM 3252 CG ASN B 63 29.021 82.822 23.644 .00 94.37 B
ATOM 3253 ODl ASN B 63 30.246 82.935 23.571 , 00 95.40 B
ATOM 3254 ND2 ASN B 63 28.415 82.219 24.661 , 00 95.01 B
ATOM 3255 C ASN B 63 29.749 85.088 21.718 , 00 88.84 B
ATOM 3256 O ASN B 63 30.057 84.581 20.646 .00 89.08 B
ATOM 3257 N THR B 64 30.581 85.845 22.425 .00 87.10 B
ATOM 3258 CA THR B 64 31.937 86.164 21.979 .00 86.34 B
ATOM 3259 CB THR B 64 32.682 86.962 23.064 , 00 89.27 B
ATOM 3260 OGl THR B 64 31.975 88.180 23.321 .00 90.58 B
ATOM 3261 CG2 THR B 64 34.114 87.276 22.623 .00 90.11 B
ATOM 3262 C THR B 64 32.829 84.985 21.559 .00 82.61 B
ATOM 3263 O THR B 64 33.621 85.094 20.615 1.00 81.56 B
ATOM 3264 N SER B 65 32.707 83.862 22.254 .00 78.51 B
ATOM 3265 CA SER B 65 33.516 82.692 21.937 00 72.24 B
ATOM 3266 CB SER B 65 33.770 81.885 23.213 .00 73.90 B
ATOM 3267 OG SER B 65 32.569 81.664 23.931 .00 77.93 B
ATOM 3268 C SER B 65 32.900 81.795 20.854 , 00 65.52 B
ATOM 3269 O SER B 65 33.321 80.653 20.681 , 00 62.80 B
ATOM 3270 N HIS B 66 31.912 82.319 20.127 .00 59.39 B
ATOM 3271 CA HIS B 66 31.246 81.577 19.053 00 59.48 B
ATOM 3272 CB HIS B 66 29.738 81.430 19.322 .00 67.45 B
ATOM 3273 CG HIS B 66 29.374 80.259 20.185 .00 85.27 B
ATOM 3274 CD2 HIS B 66 28.601 79.175 19.935 .00 88.73 B
ATOM 3275 NDl HIS B 66 29.799 80.132 21.492 .00 89.72 B
ATOM 3276 CEl HIS B 66 29.303 79.021 22.009 .00 91.02 B
ATOM 3277 NE2 HIS B 66 28.572 78.422 21.085 .00 94.18
ATOM 3278 C HIS B 66 31.408 82.288 17.713 .00 54.84 B
ATOM 3279 O HIS B 66 30.879 83.380 17.521 1.00 51.15 B
ATOM 3280 N VAL B 67 32.130 81.670 16.785 1 .00 49.78 B
ATOM 3281 CA VAL B 67 32.311 82.252 15.458 1.00 39.53 B
ATOM 3282 CB VAL B 67 33.797 82.596 15.156 1 , 00 40.39 B
ATOM 3283 CGl VAL B 67 34.314 83.604 16.167 1.00 35.68 B
ATOM 3284 CG2 VAL B 67 34.655 81.339 15.190 1.00 34.34 B
ATOM 3285 C VAL B 67 31.824 81.271 14.404 1.00 40.75 B
ATOM 3286 O VAL B 67 31.577 80.099 14.689 1.00 42.71 B
ATOM 3287 N GLU B 68 31.673 81.764 13.186 1.00 38.30 B
ATOM 3288 CA GLU B 68 31.237 80.932 12.081 00 46.41 B
ATOM 3289 CB GLU B 68 29.760 81.206 11.754 00 49.57 B
ATOM 3290 CG GLU B 68 28.830 80.856 12.928 1.00 59.92 B
ATOM 3291 CD GLU B 68 27.353 80.934 12.588 00 65.92 B
ATOM 3292 OEl GLU B 68 26.889 80.160 11.720 00 71.44 B
ATOM 3293 OE2 GLU B 68 26.653 81.768 13.199 00 66.60 B
ATOM 3294 C GLU B 68 32.135 81.215 10.885 00 45.18 B
ATOM 3295 O GLU B 68 32.612 82.336 10.711 00 47.27 B
ATOM 3296 N TYR B 69 32.411 80.182 10.096 1.00 41.73 B
ATOM 3297 CA TYR B 69 33.241 80.330 8.911 1.00 32.50 B
ATOM 3298 CB TYR B 69 34.724 80.343 9.280 1.00 29.41 B ATOM 3299 CG TYR B 69 35.188 79.208 10.171 00 36.63
ATOM 3300 CDl TYR B 69 35.386 77.925 9.661 00 29.96 B
ATOM 3301 CEl TYR B 69 35.866 76.900 10.471 00 34.13 B
ATOM 3302 CD2 TYR B 69 35.475 79.435 11.522 00 28.80 B
ATOM 3303 CE2 TYR B 69 35.948 78.425 12.336 00 31.28 B
ATOM 3304 CZ TYR B 69 36.149 77.155 11.804 00 34.59 B
ATOM 3305 OH TYR B 69 36.671 76.157 12.593 00 30.40 B
ATOM 3306 C TYR B 69 32.939 79.239 7.906 00 34.23 B
ATOM 3307 O TYR B 69 32.281 78.248 8.236 00 41.74 B
ATOM 3308 N ASP B 70 33.413 79.429 6.677 00 32.29 B
ATOM 3309 CA ASP B 70 33.162 78.485 5.597 00 29.92 B
ATOM 3310 CB ASP B 70 32.260 79.141 4.544 00 35.75 B
ATOM 3311 CG ASP B 70 30.867 79.426 5.056 00 41.41 B
ATOM 3312 ODl ASP B 70 29.990 78.555 4.906 00 39.05 B
ATOM 3313 OD2 ASP B 70 30.654 80.522 5.617 00 52.85 B
ATOM 3314 C ASP B 70 34.390 77.964 4.865 00 30.39 B
ATOM 3315 O ASP B 70 35.381 78.668 4.703 00 28.21 B
ATOM 3316 N THR B 71 34.308 76.712 4.431 00 32.98 B
ATOM 3317 CA THR B 71 35.345 76.106 3.609 00 25.37 B
ATOM 3318 CB THR B 71 35.737 74.687 4.078 00 26.40 B
ATOM 3319 OGl THR B 71 34.559 73.903 4.298 00 34.87 B
ATOM 3320 CG2 THR B 71 36.549 74.754 5.355 00 31.22 B
ATOM 3321 C THR B 71 34.567 76.012 2.291 00 29.21 B
ATOM 3322 O THR B 71 33.388 76.378 2.234 00 24.23 B
ATOM ' 3323 N PRO B 72 35.200 75.535 1.216 00 29.33 B
ATOM 3324 CD PRO B 72 36.645 75.331 0.986 00 26.90 B
ATOM 3325 CA PRO B 72 34.446 75.450 -0.034 00 27.88 B
ATOM 3326 CB PRO B 72 35.467 74.868 -1.004 00 31.69 B
ATOM 3327, CG PRO B 72 36.761 75.490 -0.516 00 32.65 B
ATOM 3328 C PRO B 72 33.153 74.632 0.008 00 31.96 B
ATOM 3329 O PRO B 72 32.187 74.970 -0.676 00 35.13 B
ATOM 3330 N THR B 73 33.111 73.579 0.816 00 34.66 B
ATOM 3331 CA THR B 73 31.916 72.735 0.857 00 33.82 B
ATOM 3332 CB THR B 73 32.264 71.321 0.427 00 36.31 B
ATOM 3333 OGl THR B 73 33.242 70.796 1.333 1.00 34.75 B
ATOM 3334 CG2 THR B 73 32.845 71.319 -0.980 .00 40.09 B
ATOM 3335 C THR B 73 31.198 72.622 2.188 .00 29.51 B
ATOM 3336 O THR B 73 30.227 71.874 2.305 .00 33.21 B
ATOM 3337 N ARG B 74 31.664 73.345 3.197 .00 33.15 B
ATOM 3338 CA ARG B 74 31.028 73.258 4.505 , 00 32.61 B
ATOM 3339 CB ARG B 74 31.763 72.249 5.389 .00 28.92 B
ATOM 3340 CG ARG B 74 31.516 70.784 5.096 .00 31.94 B
ATOM 3341 CD ARG B 74 32.286 69.983 6.107 .00 40.53 B
ATOM 3342 NE ARG B 74 32.010 68.559 6.038 .00 54.14 B
ATOM 3343 CZ ARG B 74 32.565 67.661 6.846 .00 51.51 B
ATOM 3344 NHl ARG B 74 33.429 68.048 7.781 , 00 44.18
ATOM 3345 NH2 ARG B 74 32.249 66.381 6.721 .00 51.48
ATOM 3346 C ARG B 74 30.966 74.576 248 1.00 31.73
ATOM 3347 O ARG B 74 31.727 75.500 964 1.00 29.37 B
ATOM 3348 N HIS B 75 30.048 74.635 6.207 1.00 35.13 B
ATOM 3349 CA HIS B 75 29.858 75.786 7.070 1.00 31.20 B
ATOM 3350 CB HIS B 75 28.418 76.280 6.998 00 38.81 B
ATOM 3351 CG HIS B 75 28.137 77.441 7.903 00 44.36 B
ATOM 3352 CD2 HIS B 75 27.500 77.509 9.096 00 43.03 B
ATOM 3353 NDl HIS B 75 28.581 78.718 7.633 00 44.10 B
ATOM 3354 CEl HIS B 75 28.232 79.522 8.622 00 45.32 B
ATOM 3355 NE2 HIS B 75 27.575 78.813 9.523 1.00 47.58 B
ATOM 3356 C HIS B 75 30.148 75.293 8.488 1.00 34.00 B
ATOM 3357 O HIS B 75 29.653 74.239 8.901 1.00 39.23 B ATOM 3358 N TYR B 76 30.945 76.051 9.231 .00 31.53 B
ATOM 3359 CA TYR B 76 31.295 75.665 10.592 .00 37.19 B
ATOM 3360 CB TYR B 76 32.818 75.474 10.721 .00 30.40 B
ATOM 3361 CG TYR B 76 33.371 74.298 9.945 .00 30.23 B
ATOM 3362 CDl TYR B 76 33.692 74.420 8.591 .00 31.75 B
ATOM 3363 CEl TYR B 76 34.158 73.325 7.855 , 00 33.28 B
ATOM 3364 CD2 TYR B 76 33.534 73.045 10.554 .00 37.53 B
ATOM 3365 CE2 TYR B 76 33.999 71.937 9.833 1.00 28.74 B
ATOM 3366 CZ TYR B 76 34.306 72.088 8.480 1.00 37.66 B
ATOM 3367 OH TYR B 76 34.735 71.011 7.733 1.00 39.40 B
ATOM 3368 C TYR B 76 30.837 76.638 11.680 1.00 37.40 B
ATOM 3369 O TYR B 76 30.788 77.854 11.469 1.00 33.93 B
ATOM 3370 N ALA B 77 30.488 76.075 12.837 1.00 40.43 B
ATOM 3371 CA ALA B 77 30.097 76.839 14.019 1.00 36.61 B
ATOM 3372 CB ALA B 77 28.772 76.348 14.576 1.00 36.10
ATOM 3373 C ALA B 77 31.261 76.438 14.918 1 , 00 33.95
ATOM 3374 O ALA B 77 31.496 75.256 15.141 1.00 33.86 B
ATOM 3375 N HIS B 78 31.990 77.427 15.414 1.00 32.14 B
ATOM 3376 CA HIS B 78 33.183 77.188 16.202 1.00 28.42 B
ATOM 3377 CB HIS B 78 34.372 77.713 15.371 1 00 28.26
ATOM 3378 CG HIS B 78 35.720 77.544 16.004 1 00 30.45 B
ATOM 3379 CD2 HIS B 78 36.247 78.059 17.140 1 00 24.96 B
ATOM 3380 NDl HIS B 78 36.731 76.819 15.405 1 00 24.72 B
ATOM 3381 CEl HIS B 78 37.822 76.896 16.147 1.00 31.49 B
ATOM 3382 NE2 HIS B 78 37.556 77.643 17.204 00 35.31 B
ATOM 3383 C HIS B 78 33.141 77.847 17.579 00 34.93 B
ATOM 3384 O HIS B 78 32.919 79.060 17.691 00 31.08 B
ATOM 3385 ISl VAL B 79 33.346 77.042 18.621 00 33.15 B
ATOM 3386 CA VAL B 79 33.378 77.557 19.992 00 32.60 B
ATOM 3387 CB VAL B 79 32.489 76.712 20.970 , 00 32.63 B
ATOM 3388 CGl VAL B 79 32.897 75.244 20.945 , 00 39.03 B
ATOM 3389 CG2 VAL B 79 32.624 77.256 22.395 , 00 32.94 B
ATOM 3390 C VAL B 79 34.832 77.549 20.482 , 00 33.69 B
ATOM 3391 O VAL B 79 35.479 76.501 20.522 , 00 34.78 B
ATOM 3392 N ASP B 80 35.343 78.730 20.823 , 00 34.07 B
ATOM 3393 CA ASP B 80 36.709 78.895 21.319 1.00 34.08 B
ATOM 3394 CB ASP B 80 37.255 80.260 20.854 00 26.71 B
ATOM 3395 CG ASP B 80 38.684 80.538 21.324 00 37.27 B
ATOM 3396 ODl ASP B 80 39.476 79.580 21.485 00 30.47 B
ATOM 3397 OD2 ASP B 80 39.025 81.733 21.507 00 35.95 B
ATOM 3398 C ASP B 80 36.620 78.814 22.849 00 39.04 B
ATOM 3399 O ASP B 80 36.008 79.675 23.483 00 36.34 B
ATOM 3400 N CYS B 81 37.221 77.772 23.431 1.00 40.66 B
ATOM 3401 CA CYS B 81 37.184 77.555 24.886 , 00 45.02 B
ATOM 3402 CB CYS B 81 37.072 76.052 25.206 .00 46.91 B
ATOM 3403 SG CYS B 81 35.744 75.096 24.382 .00 62.52 B
ATOM 3404 C CYS B 81 38.385 78.090 25.671 .00 45.32 B
ATOM 3405 O CYS B 81 39.532 77.975 25.234 1.00 41.99
ATOM 3406 N PRO B 82 38.134 78.688 26.848 1.00 46.77
ATOM 3407 CD PRO B 82 36.827 78.959 27.469 1.00 48.76
ATOM 3408 CA PRO B 82 39.231 79.210 27.673 1.00 42.73
ATOM 3409 CB PRO B 82 38.503 79.997 28.758 00 47.40 B
ATOM 3410 CG PRO B 82 37.216 79.235 28.904 00 53.34 B
ATOM 3411 C PRO B 82 39.938 77.966 28.215 00 38.40 B
ATOM 3412 O PRO B 82 39.284 76.950 28.445 00 39.14 B
ATOM 3413 N GLY B 83 41.252 78.033 28.409 1.00 37.70 B
ATOM 3414 CA GLY B 83 41.978 76.860 28.867 00 36.74 B
ATOM 3415 C GLY B 83 42.233 76.633 30.348 00 38.98 B
ATOM 3416 O GLY B 83 42.753 75.570 30.719 1.00 36.04 B ATOM 3417 N HIS B 84 41.891 77.594 31.202 00 37.60 B
ATOM 3418 CA HIS B 84 42.143 77.415 32.637 00 40.24 B
ATOM 3419 CB HIS B 84 42.109 78.759 33.380 00 43.19
ATOM 3420 CG HIS B 84 42.723 78.700 34.747 00 47.51 B
ATOM 3421 CD2 HIS B 84 43.905 79.172 35.211 00 39.11 B
ATOM 3422 NDl HIS B 84 42.132 78.040 35.805 00 43.76
ATOM 3423 CEl HIS B 84 42.925 78.107 36.860 1.00 49.79
ATOM 3424 NE2 HIS B 84 44.008 78.787 36.526 1.00 45.72
ATOM 3425 C HIS B 84 41.184 76.450 33.314 1.00 34.16 B
ATOM 3426 O HIS B 84 39.987 76.460 33.055 00 34.95 B
ATOM 3427 N ALA B 85 41.729 75.619 34.194 00 42.01 B
ATOM 3428 CA ALA B 85 40.935 74.650 34.937 00 40.72 B
ATOM 3429 CB ALA B 85 41.811 73.962 35.977 00 43.17 B
ATOM 3430 C ALA B 85 39.717 75.285 35.611 00 38.02 B
ATOM 3431 O ALA B 85 38.676 74.646 35.744 00 47.22 B
ATOM 3432 N ASP B 86 39.832 76.542 36.027 00 37.99 B
ATOM 3433 CA ASP B 86 38.704 77.206 36.685 00 39.64 B
ATOM 3434 CB ASP B 86 39.073 78.630 37.101 00 37.62 B
ATOM 3435 CG ASP B 86 39.985 78.672 38.298 00 45.38 B
ATOM 3436 ODl ASP B 86 40.332 77.589 38.833 1.00 35.88 B
ATOM 3437 OD2 ASP B 86 40.353 79.797 38.697 1.00 46.41 B
ATOM 3438 C ASP B 86 37.467 77.287 35.815 1.00 39.75 B
ATOM 3439 O ASP B 86 36.356 77.467 36.319 1 00 44.33 B
ATOM 3440 N TYR B 87 37.659 77.159 34.505 1 00 42.53 B
ATOM 3441 CA TYR B 87 36.557 77.274 33.564 1 00 39.16 B
ATOM 3442 CB TYR B 87 36.931 78.274 32.464 1 00 42.84 B
ATOM 3443 CG TYR B 87 37.280 79.671 32.939 1.00 37.69 B
ATOM 3444 CDl TYR B 87 36.318 80.503 33.517 1.00 36.44 B
ATOM 3445 CEl TYR B 87 36.636 81.800 33.919 1.00 38.69 B
ATOM 3446 CD2 TYR B 87 38.572 80.171 32.781 1.00 41.47 B
ATOM 3447 CE2 TYR B 87 38.904 81.467 33.184 1.00 32.38 B
ATOM 3448 CZ TYR B 87 37.934 82.272 33.748 1.00 35.70 B
ATOM 3449 OH TYR B 87 38.260 83.548 34.142 1.00 33.92 B
ATOM 3450 C TYR B 87 36.087 75.981 32.901 00 45.14 B
ATOM 3451 O TYR B 87 35.348 76.032 31.915 00 43.26 B
ATOM 3452 N VAL B 88 36.489 74.826 33.422 00 44.40 B
ATOM 3453 CA VAL B 88 36.068 73.565 32.809 00 46.44 B
ATOM 3454 CB VAL B 88 36.583 72.338 33.589 00 47.78 B
ATOM 3455 CGl VAL B 88 38.071 72.145 33.309 00 49.02 B
ATOM 3456 CG2 VAL B 88 36.318 72.518 35.082 00 49.29 B
ATOM 3457 C VAL B 88 34.566 73.396 32.598 00 45.75 B
ATOM 3458 O VAL B 88 34.156 72.829 31.588 1.00 45.95 B
ATOM 3459 N LYS B 89 33.742 73.869 33.530 1.00 46.63 B
ATOM 3460 CA LYS B 89 32.294 73.735 33.370 1.00 53.91 B
ATOM 3461 CB LYS B 89 31.529 74.517 34.449 1.00 58.63 B
ATOM 3462 CG LYS B 89 31.487 73.865 35.825 1.00 69.04 B
ATOM 3463 CD LYS B 89 30.194 74.218 36.589 1.00 74.46 B
ATOM 3464 CE LYS B 89 30.080 75.710 36.922 1.00 79.82 B
ATOM 3465 NZ LYS B 89 28.822 76.060 37.666 1.00 67.09 B
ATOM 3466 C LYS B 89 31.863 74.251 32.003 00 58.17 B
ATOM 3467 O LYS B 89 31.313 73.516 31.185 00 59.68 B
ATOM 3468 N ASN B 90 32.138 75.524 31.767 00 62.70 B
ATOM 3469 CA ASN B 90 31.773 76.207 30.538 00 71.11 B
ATOM 3470 CB ASN B 90 32.550 77.521 30.465 1.00 75.15 B
ATOM 3471 CG ASN B 90 32.449 78.314 31.761 00 81.60 B
ATOM 3472 ODl ASN B 90 31.363 78.737 32.165 00 83.94 B
ATOM 3473 ND2 ASN B 90 33.581 78.500 32.429 00 83.37 B
ATOM 3474 C ASN B 90 31.930 75.411 29.244 00 76.33 B
ATOM 3475 O ASN B 90 31.020 75.405 28.410 1.00 80.23 B ATOM 3476 N MET B 91 33.058 74.728 29.069 00 77.03
ATOM 3477 CA MET B 91 33.264 73.964 27.846 00 78.29 B
ATOM 3478 CB MET B 91 34.754 73.728 27.596 00 75.38 B
ATOM 3479 CG MET B 91 35.517 73.098 28.718 00 71.00 B
ATOM 3480 SD MET B 91 37.208 72.869 28.120 00 76.89
ATOM 3481 CE MET B 91 37.127 71.222 27.500 00 64.60
ATOM 3482 C MET B 91 32.510 72.642 27.745 1.00 81,90 B
ATOM 3483 O MET B 91 32.290 72.144 26.640 1.00 84.90 B
ATOM 3484 N ILE B 92 32.100 72.079 28.876 1.00 79.87 B
ATOM 3485 CA ILE B 92 31.367 70.813 28.874 1.00 76.09 B
ATOM 3486 CB ILE B 92 30.984 70.388 30.311 .00 75.63 B
ATOM 3487 CG2 ILE B 92 30.012 69.211 30.280 .00 75.53 B
ATOM 3488 CGl ILE B 92 32.238 69.987 31.075 .00 74.31 B
ATOM 3489 CDl ILE B 92 31.995 69.740 32.544 .00 78.33 B
ATOM 3490 C ILE B 92 30.104 70.838 28.024 .00 74.67 B
ATOM 3491 O ILE B 92 29.937 69.995 27.145 .00 76.07 B
ATOM 3492 N THR B 93 29.206 71.783 28.292 1.00 75.37 B
ATOM 3493 CA THR B 93 27.969 71.860 27.513 1.00 76.47 B
ATOM 3494 CB THR B 93 27.041 72.989 28.028 .00 78.59 B
ATOM 3495 OGl THR B 93 26.326 72.527 29.184 .00 81.28 B
ATOM 3496 CG2 THR B 93 26.045 73.407 26.949 .00 77.70 B
ATOM 3497 C THR B 93 28.295 72.095 26.042 .00 72.95 B
ATOM 3498 O THR B 93 27.475 71.826 25.163 .00 74.94 B
ATOM 3499 N GLY B 94 29.505 72.585 25.785 .00 70.26 B
ATOM 3500 CA GLY B 94 29.932 72.851 24.422 .00 70.24 B
ATOM 3501 C GLY B 94 30.547 71.630 23.764 .00 64.79 B
ATOM 3502 O GLY B 94 30.127 71.220 22.681 .00 64.16 B
ATOM 3503 N ALA B 95 31.546 71.051 24.422 .00 58.36 B
,ATOM 3504 CA ALA B 95 32.213 69.856 23.918 00 52.86 B
ATOM 3505 CB ALA B 95 33.237 69.364 24.928 00 54.65 B
ATOM 3506 C ALA B 95 31.176 68.770 23.656 00 45.60 B
ATOM 3507 O ALA B 95 31.293 68.008 22.701 00 41.34 B
ATOM 3508 N ALA B 96 30.160 68.710 24.509 00 42.00 B
ATOM 3509 CA ALA B 96 29.100 67.727 24.359 00 43.90 B
ATOM 3510 CB ALA B 96 28.136 67.803 25.552 00 46.05 B
ATOM 3511 C ALA B 96 28.348 67.952 23.057 00 40.55 B
ATOM 3512 O ALA B 96 27.715 67.033 22.541 00 42.32 B
ATOM 3513 N GLN B 97 28.421 69.172 22.521 1.00 47.68 B
ATOM 3514 CA GLN B 97 27.737 69.496 21.262 1 .00 48.93 B
ATOM 3515 CB GLN B 97 26.993 70.836 21.375 1.00 59.38 B
ATOM 3516 CG GLN B 97 25.757 70.815 22.275 1.00 70.15 B
ATOM 3517 CD GLN B 97 24.811 71.997 22.022 1.00 79.41 B
ATOM 3518 OEl GLN B 97 25.255 73.132 21.816 1 ,00 83.28 B
ATOM 3519 NE2 GLN B 97 23.504 71.732 22.053 1.00 70.71 B
ATOM 3520 C GLN B 97 28.659 69.537 20.033 1.00 43.77 B
ATOM 3521 O GLN B 97 28.216 69.831 18.922 1.00 42.63 B
ATOM 3522 N MET B 98 29.936 69.229 20.225 1.00 41.30 B
ATOM 3523 CA MET B 98 30.882 69.231 19.116 1.00 35.01 B
ATOM 3524 CB MET B 98 32.312 69.411 19.649 1.00 35.07 B
ATOM 3525 CG MET B 98 32.617 70.799 20.207 1.00 37.45 B
ATOM 3526 SD MET B 98 34.280 70.999 20.919 1.00 44.94 B
ATOM 3527 CE MET B 98 35.203 71.259 19.565 1.00 50.61 B
ATOM 3528 C MET B 98 30.825 67.965 18.246 1.00 36.35 B
ATOM 3529 O MET B 98 30.625 66.852 18.744 1.00 31.56 B
ATOM 3530 N ASP B 99 30.973 68.151 16.937 1.00 30.88 B
ATOM 3531 CA ASP B 99 31.025 67.034 15.997 ,00 26.80 B
ATOM 3532 CB ASP B 99 30.511 67.449 14.623 .00 27.22
ATOM 3533 CG ASP B 99 29.017 67.695 14.610 .00 35.01 B
ATOM 3534 ODl ASP B 99 28.592 68.705 14.014 1.00 29.75 B ATOM 3535 OD2 ASP B 99 28.262 66.880 15.184 .00 34.74 B
ATOM 3536 C ASP B 99 32.501 66.635 15.888 .00 27.42 B
ATOM 3537 O ASP B 99 32.828 65.517 15.491 1.00 31.24 B
ATOM 3538 N GLY B 100 33.377 67.567 16.263 .00 26.83 B
ATOM 3539 CA GLY B 100 34.815 67.346 16.246 , 00 25.17 B
ATOM 3540 C GLY B 100 35.490 68.491 16.996 .00 28.29 B
ATOM 3541 O GLY B 100 34.923 69.573 17.105 .00 32.49
ATOM 3542 N ALA B 101 36.700 68.273 17.499 .00 26.63
ATOM 3543 CA ALA B 101 37.416 69.297 18.246 .00 26.96 B
ATOM 3544 CB ALA B 101 37.450 68.930 19.719 .00 22.60 B
ATOM 3545 C ALA B 101 38.839 69.488 17.749 .00 32.45 B
ATOM 3546 O ALA B 101 39.472 68.547 17.275 .00 36.08 B
ATOM 3547 N ILE B 102 39.347 70.710 17.867 1.00 28.32 B
ATOM 3548 CA ILE B 102 40.710 70.995 17.449 1.00 26.85 B
ATOM 3549 CB ILE B 102 40.827 72.311 16.656 1.00 25.57 B
ATOM 3550 CG2 ILE B 102 42.284 72.524 16.230 00 25.44 B
ATOM 3551 CGl ILE B 102 39.925 72.297 15.426 00 31.13 B
ATOM 3552 CDl ILE B 102 39.866 73.669 14.738 00 23.23 B
ATOM 3553 C ILE B 102 41.555 71.169 18.696 00 28.32 B
ATOM 3554 O ILE B 102 41.400 72.158 19.417 1.00 23.49 B
ATOM 3555 N LEU B 103 42.440 70.213 18.952 1.00 29.23 B
ATOM 3556 CA LEU B 103 43.321 70.283 20.112 1.00 29.03 B
ATOM 3557 CB LEU B 103 43.767 68.883 20.540 1.00 31.11 B
ATOM 3558 CG LEU B 103 44.697 68.926 21.759 1.00 35.63 B
ATOM 3559 CDl LEU B 103 43.886 69.370 22.967 1.00 37.56 B
ATOM 3560 CD2 LEU B 103 45.334 67.566 22.008 1.00 34.44 B
ATOM 3561 C LEU B 103 44.561 71.110 19.791 1.00 25.84 B
ATOM 3562 O LEU B 103 45.371 70.712 18.950 1.00 28.51 B
ATOM 3563 N VAL B 104 44.713 72.251 20.457 1.00 29.87 B
ATOM 3564 CA VAL B 104 45.879 73.111 20.235 1.00 32.90 B
ATOM 3565 CB VAL B 104 45.505 74.605 20.381 1.00 33.15 B
ATOM 3566 CGl VAL B 104 46.713 75.475 20.058 1.00 25.88 B
ATOM 3567 CG2 VAL B 104 44.332 74.944 19.459 1 .00 29.63 B
ATOM 3568 C VAL B 104 46.997 72.780 21.238 1.00 36.72 B
ATOM 3569 O VAL B 104 46.765 72.729 22.447 .00 39.14 B
ATOM 3570 N VAL B 105 48.206 72.548 20.741 .00 33.24 B
ATOM 3571 CA VAL B 105 49.331 72.231 21.615 .00 31.34 B
ATOM 3572 CB VAL B 105 49.659 70.716 21.596 .00 35.45 B
ATOM 3573 CGl VAL B 105 50.842 70.437 22.507 .00 25.04 B
ATOM 3574 CG2 VAL B 105 48.427 69.890 22.039 .00 31.86 B
ATOM 3575 C VAL B 105 50.571 72.987 21.169 1.00 36.87 B
ATOM 3576 O VAL B 105 51.038 72.811 20.047 00 42.27 B
ATOM 3577 N ALA B 106 51.111 73.823 22.050 00 39.60 B
ATOM 3578 CA ALA B 106 52.297 74.604 21.726 00 36.97
ATOM 3579 CB ALA B 106 52.522 75.671 22.794 00 32.72 B
ATOM 3580 C ALA B 106 53.515 73.701 21.614 00 35.44 B
ATOM 3581 O ALA B 106 53.757 72.881 22.481 00 41.64 B
ATOM 3582 N ALA B 107 54.281 73.852 20.542 1.00 40.76 B
ATOM 3583 CA ALA B 107 55.476 73.037 20.330 00 47.36
ATOM 3584 CB ALA B 107 56.024 73.274 18.923 00 43.93
ATOM 3585 C ALA B 107 56.551 73.351 21.371 00 51.35
ATOM 3586 O ALA B 107 57.386 72.511 21.698 00 55.07 B
ATOM 3587 N THR B 108 56.530 74.576 21.879 00 57.52 B
ATOM 3588 CA THR B 108 57.486 75.008 22.890 00 55.19 B
ATOM 3589 CB THR B 108 57.320 76.525 23.174 00 53.65 B
ATOM 3590 OGl THR B 108 55.935 76.822 23.403 1.00 44.34 B
ATOM 3591 CG2 THR B 108 57.816 77.349 21.992 00 49.77 B
ATOM 3592 C THR B 108 57.256 74.197 24.178 00 57.32 B
ATOM 3593 O THR B 108 58.089 73.375 24.558 1.00 50.45 B ATOM 3594 N ASP B 109 56.111 74.423 24.824 00 55.23 B
ATOM 3595 CA ASP B 109 55.735 73.728 26.058 00 54.96 B
ATOM 3596 CB ASP B 109 54.436 74.309 26.619 00 60.79 B
ATOM 3597 CG ASP B 109 54.650 75.569 27.410 1.00 68.61 B
ATOM 3598 ODl ASP B 109 55.464 76.417 26.986 00 75.08 B
ATOM 3599 OD2 ASP B 109 53.984 75.714 28.455 00 75.14 B
ATOM 3600 C ASP B 109 55.520 72.225 25.901 00 50.55 B
ATOM 3601 O ASP B 109 55.965 71.431 26.733 00 45.24 B
ATOM 3602 N GLY B 110 54.820 71.847 24.835 00 44.96 B
ATOM 3603 CA GLY B 110 54.497 70.449 24.619 00 38.54 B
ATOM 3604 C GLY B 110 53.246 70.201 25.451 1.00 39.98 B
ATOM 3605 O GLY B 110 52.693 71.154 26.011 1.00 36.47 B
ATOM 3606 N PRO B 111 52.773 68.952 25.570 1.00 38.76 B
ATOM 3607 CD PRO B 111 53.233 67.722 24.902 , 00 38.20 B
ATOM 3608 CA PRO B 111 51.567 68.698 26.372 , 00 38.88 B
ATOM 3609 CB PRO B 111 51.412 67.180 26.291 .00 41.51 B
ATOM 3610 CG PRO B 111 51.994 66.855 24.945 , 00 41.58
ATOM 3611 C PRO B 111 51.710 69.189 27.816 , 00 41.80 B
ATOM 3612 O PRO B 111 52.753 68.992 28.453 , 00 39.61 B
ATOM 3613 N MET B 112 50.656 69.827 28.318 , 00 40.71 B
ATOM 3614 CA MET B 112 50.627 70.355 29.679 .00 41.28 B
ATOM 3615 CB MET B 112 50.653 71.893 29.651 .00 39.97 B
ATOM 3616 CG MET B 112 51.985 72.491 29.234 1.00 49.10 B
ATOM 3617 SD MET B 112 53.333 72.139 30.398 00 53.79 B
ATOM 3618 CE MET B 112 53.298 73.614 31.390 00 55.38 B
ATOM 3619 C MET B 112 49.374 69.854 30.413 00 45.57 B
ATOM 3620 O MET B 112 48.501 69.216 29.805 00 39.75 B
ATOM 3621 N PRO B 113 49.269 70.132 31.731 00 44.03 B
ATOM 3622 CD PRO B 113 50.249 70.849 32.571 00 47.78 B
ATOM 3623 CA PRO B 113 48.121 69.700 32.540 00 43.17 B
ATOM 3624 CB PRO B 113 48.255 70.543 33.806 00 43.74 B
ATOM 3625 CG PRO B 113 49.742 70.574 33.994 00 44.20 B
ATOM 3626 C PRO B 113 46.759 69.844 31.881 1.00 40.09 B
ATOM 3627 O PRO B 113 46.005 68.878 31.808 1.00 42.27 B
ATOM 3628 N GLN B 114 46.434 71.036 31.397 1.00 38.95 B
ATOM 3629 CA GLN B 114 45.140 71.224 30.762 00 37.93 B
ATOM 3630 CB GLN B 114 44.806 72.707 30.693 00 49.25 B
ATOM 3631 CG GLN B 114 44.509 73.301 32.070 00 60.95 B
ATOM 3632 CD GLN B 114 43.469 72.489 32.829 00 57.55 B
ATOM 3633 OEl GLN B 114 43.796 71.720 33.732 00 50.11 B
ATOM 3634 NE2 GLN B 114 42.206 72.649 32.449 00 65.98 B
ATOM 3635 C GLN B 114 45.009 70.561 29.385 1.00 36.62 B
ATOM 3636 O GLN B 114 43.904 70.438 28.855 1.00 38.93 B
ATOM 3637 N THR B 115 46.122 70.132 28.798 1.00 31.22 B
ATOM 3638 CA THR B 115 46.034 69.435 27.519 1.00 34.81 B
ATOM 3639 CB THR B 115 47.409 69.097 26.916 1.00 26.30 B
ATOM 3640 OGl THR B 115 48.253 70.246 26.939 1.00 33.39 B
ATOM 3641 CG2 THR B 115 47.250 68.653 25.482 1.00 27.89 B
ATOM 3642 C THR B 115 45.373 68.112 27.898 1.00 43.19 B
ATOM 3643 O THR B 115 44.447 67.642 27.231 1.00 41.58 B
ATOM 3644 N ARG B 116 45.864 67.534 28.996 1.00 43.04 B
ATOM 3645 CA ARG B 116 45.368 66.269 29.531 00 41.21 B
ATOM 3646 CB ARG B 116 46.157 65.865 30.780 00 47.50 B
ATOM 3647 CG ARG B 116 47.141 64.732 30.580 00 48.13 B
ATOM 3648 CD ARG B 116 47.762 64.292 31.914 00 42.11 B
ATOM 3649 NE ARG B 116 48.908 63.412 31.693 00 45.52 B
ATOM 3650 CZ ARG B 116 48.824 62.145 31.294 1.00 42.17 B
ATOM 3651 NHl ARG B 116 47.643 61.584 31.074 1.00 40.15 B
ATOM 3652 NH2 ARG B 116 49.930 61.439 31.103 1.00 50.73 ATOM 3653 C ARG B 116 43.902 66.341 29.907 .00 39.37 B
ATOM 3654 O ARG B 116 43.093 65.548 29.419 , 00 42.03 B
ATOM 3655 N GLU B 117 43.567 67.281 30.786 .00 32.81 B
ATOM 3656 CA GLU B 117 42.189 67.436 31.240 .00 38.87 B
ATOM 3657 CB GLU B 117 42.065 68.613 32.214 .00 39.54 B
ATOM 3658 CG GLU B 117 42.640 68.343 33.599 .00 64.50 B
ATOM 3659 CD GLU B 117 41.983 67.147 34.285 .00 73.63 B
ATOM 3660 OEl GLU B 117 40.740 67.162 34.441 .00 70.31 B
ATOM 3661 OE2 GLU B 117 42.712 66.196 34.666 .00 77.06 B
ATOM 3662 C GLU B 117 41.169 67.605 30.114 1.00 37.28 B
ATOM 3663 O GLU B 117 40.103 66.989 30.151 00 34.20 B
ATOM 3664 N HIS B 118 41.489 68.429 29.118 00 36.57 B
ATOM 3665 CA HIS B 118 40.557 68.664 28.023 00 35.67 B
ATOM 3666 CB HIS B 118 41.042 69.814 27.130 00 39.15 B
ATOM 3667 CG HIS B 118 40.952 71.163 27.775 00 44.48 B
ATOM 3668 CD2 HIS B 118 40.455 71.548 28.974 00 47.92 B
ATOM 3669 NDl HIS B 118 41.395 72.314 27.160 00 46.76 B
ATOM 3670 CEl HIS B 118 41.174 73.348 27.951 00 49.56 B
ATOM 3671 NE2 HIS B 118 40.605 72.911 29.059 1.00 48.90 B
ATOM 3672 C HIS B 118 40.372 67.397 27.204 1.00 32.10 B
ATOM 3673 O HIS B 118 39.269 67.097 26.752 1.00 25.45 B
ATOM 3674 N ILE B 119 41.448 66.646 27.014 1.00 28.69 B
ATOM 3675 CA ILE B 119 41.344 65.402 26.256 1.00 36.05 B
ATOM 3676 CB ILE B 119 42.721 64.757 26.038 1.00 34.34 B
ATOM 3677 CG2 ILE B 119 42.558 63.358 25.506 00 40.21 B
ATOM 3678 CGl ILE B 119 43.547 65.608 25.081 00 34.71 B
ATOM 3679 CDl ILE B 119 44.970 65.126 24.917 00 38.19 B
ATOM 3680 C ILE B 119 40.469 64.438 27.059 00 36.03 B
ATOM 3681 O ILE B 119 39.603 63.752 26.506 00 34.48 B
ATOM 3682 N LEU B 120 40.697 64.404 28.367 1.00 32.19 B
ATOM 3683 CA LEU B 120 39.928 63.542 29.256 1.00 35.20 B
ATOM 3684 CB LEU B 120 40.425 63.676 30.709 1.00 38.41 B
ATOM 3685 CG LEU B 120 39.601 62.967 31.806 .00 44.30 B
ATOM 3686 CDl LEU B 120 39.511 61.465 31.504 .00 37.74
ATOM 3687 CD2 LEU B 120 40.231 63.200 33.187 .00 29.79
ATOM 3688 C LEU B 120 38.459 63.916 29.174 .00 35.06
ATOM 3689 O LEU B 120 37.613 63.055 28.935 .00 45.07 B
ATOM 3690 N LEU B 121 38.150 65.197 29.358 , 00 37.38 B
ATOM 3691 CA LEU B 121 36.758 65.653 29.298 .00 36.38 B
ATOM 3692 CB LEU B 121 36.666 67.165 29.536 .00 39.60 B
ATOM 3693 CG LEU B 121 35.313 67.828 29.215 1.00 48.86 B
ATOM 3694 CDl LEU B 121 34.208 67.306 30.135 .00 45.90 B
ATOM 3695 CD2 LEU B 121 35.447 69.335 29.378 .00 57.45
ATOM 3696 C LEU B 121 36.174 65.323 27.933 .00 35.19
ATOM 3697 O LEU B 121 35.008 64.954 27.812 .00 34.41
ATOM 3698 N GLY B 122 36.999 65.465 26.903 .00 35.00
ATOM 3699 CA GLY B 122 36.551 65.173 25.556 .00 38.00
ATOM 3700 C GLY B 122 36.098 63.732 25.465 .00 38.16
ATOM 3701 O GLY B 122 35.021 63.439 24.937 .00 34.35
ATOM 3702 N ARG B 123 36.920 62.830 25.990 .00 33.20
ATOM 3703 CA ARG B 123 36.582 61.419 25.977 .00 32.99 B
ATOM 3704 CB ARG B 123 37.739 60.579 26.535 .00 37.27 B
ATOM 3705 CG ARG B 123 37.453 59.077 26.516 .00 45.82 B
ATOM 3706 CD ARG B 123 37.346 58.558 25.087 .00 47.11 B
ATOM 3707 NE ARG B 123 36.800 57.207 25.021 .00 60.39
ATOM 3708 CZ ARG B 123 35.516 56.888 25.206 .00 63.63
ATOM 3709 NHl ARG B 123 34.618 57.829 25.468 .00 59.99
ATOM 3710 NH2 ARG B 123 35.127 55.618 25.136 .00 54.26 B
ATOM 3711 C ARG B 123 35.318 61.157 26.804 1.00 34.85 B ATOM 3712 O ARG B 123 34.425 60.435 26.363 .00 29.19 B
ATOM 3713 N GLN B 124 35.235 61.751 27.994 .00 29.74 B
ATOM 3714 CA GLN B 124 34.070 61.533 28.855 .00 33.82 B
ATOM 3715 CB GLN B 124 34.230 62.267 30.198 00 29.88 B
ATOM 3716 CG GLN B 124 35.460 61.838 30.972 .00 35.92 B
ATOM 3717 CD GLN B 124 35.607 62.576 32.281 00 40.83 B
ATOM 3718 OEl GLN B 124 35.191 63.724 32.406 .00 41.39 B
ATOM 3719 NE2 GLN B 124 36.217 61.925 33.263 .00 42.09 B
ATOM 3720 C GLN B 124 32.755 61.936 28.218 .00 34.34 B
ATOM 3721 O GLN B 124 31.756 61.240 28.375 , 00 31.65 B
ATOM 3722 N VAL B 125 32.744 63.051 27.491 .00 37.32 B
ATOM 3723 CA VAL B 125 31.505 63.497 26.857 .00 38.65 B
ATOM 3724 CB VAL B 125 31.450 65.034 26.716 , 00 43.15 B
ATOM 3725 CGl VAL B 125 31.555 65.666 28.103 , 00 46.47 B
ATOM 3726 CG2 VAL B 125 32.569 65.529 25.794 , 00 38.45 B
ATOM 3727 C VAL B 125 31.295 62.859 25.494 , 00 39.95 B
ATOM 3728 O VAL B 125 30.232 62.988 24.889 .00 39.41 B
ATOM 3729 N GLY B 126 32.315 62.167 25.008 .00 41.01 B
ATOM 3730 CA GLY B 126 32.186 61.493 23.729 .00 37.27 B
ATOM 3731 C GLY B 126 32.465 62.272 22.456 .00 40.96 B
ATOM 3732 O GLY B 126 31.877 61.966 21.418 .00 35.89 B
ATOM 3733 N VAL B 127 33.336 63.280 22.511 .00 39.54 B
ATOM 3734 CA VAL B 127 33.666 64.029 21.300 .00 32.89 B
ATOM 3735 CB VAL B 127 34.777 65.076 21.569 .00 33.96 B
ATOM 3736 CGl VAL B 127 35.204 65.730 20.283 .00 35.72 B
ATOM 3737 CG2 VAL B 127 34.270 66.134 22.514 .00 32.59 B
ATOM 3738 C VAL B 127 34.176 62.949 20.339 .00 36.05 B
ATOM 3739 O VAL B 127 35.193 62.308 20.591 .00 37.66 B
ATOM 3740 N PRO B 128 33.474 62.738 19.220 .00 35.05 B
ATOM 3741 CD PRO B 128 32.260 63.452 18.788 .00 28.15 B
ATOM 3742 CA PRO B 128 33.871 61.713 18.247 .00 35.94 B
ATOM 3743 CB PRO B 128 32.683 61.666 17.291 .00 38.08 B
ATOM 3744 CG PRO B 128 32.148 63.064 17.343 .00 41.21 B
ATOM 3745 C PRO B 128 35.208 61.833 17.523 .00 36.53 B
ATOM 3746 O PRO B 128 35.828 60.810 17.190 1.00 35.70 B
ATOM 3747 N TYR B 129 35.660 63.058 17.264 .00 32.73 B
ATOM 3748 CA TYR B 129 36.938 63.226 16.577 .00 25.66 B
ATOM 3749 CB TYR B 129 36.714 63.458 15.082 .00 28.67 B
ATOM 3750 CG TYR B 129 35.971 62.337 14.391 .00 35.32 B
ATOM 3751 CDl TYR B 129 34.575 62.367 14.269 .00 33.45 B
ATOM 3752 CEl TYR B 129 33.884 61.325 13.671 .00 31.93 B
ATOM 3753 CD2 TYR B 129 36.654 61.228 13.893 1.00 29.85 B
ATOM 3754 CE2 TYR B 129 35.965 60.169 13.286 00 33.67 B
ATOM 3755 CZ TYR B 129 34.584 60.229 13.178 00 37.85 B
ATOM 3756 OH TYR B 129 33.902 59.204 12.563 00 42.68 B
ATOM 3757 C TYR B 129 37.785 64.359 17.125 00 33.94 B
ATOM 3758 O TYR B 129 37.264 65.381 17.586 1.00 34.09 B
ATOM 3759 N ILE B 130 39.098 64.175 17.072 1.00 28.32 B
ATOM 3760 CA ILE B 130 40.010 65.204 17.534 .00 30.17 B
ATOM 3761 CB ILE B 130 40.648 64.862 18.914 .00 36.31 B
ATOM 3762 CG2 ILE B 130 41.777 65.866 19.239 1.00 28.20 B
ATOM 3763 CGl ILE B 130 39.575 64.888 20.008 00 28.54 B
ATOM 3764 CDl ILE B 130 40.113 64.637 21.409 00 31.11 B
ATOM 3765 C ILE B 130 41.115 65.379 16.517 00 29.55 B
ATOM 3766 O ILE B 130 41.703 64.410 16.051 00 35.49
ATOM 3767 N ILE B 131 41.366 66.630 16.156 1.00 29.61 B
ATOM 3768 CA ILE B 131 42.416 66.978 15.219 .00 31.92 B
ATOM 3769 CB ILE B 131 41.857 67.792 14.034 .00 40.30 B
ATOM 3770 CG2 ILE B 131 42. ' 68.281 13.152 1.00 39.66 ATOM 3771 CGl ILE B 131 40.904 66.923 13.223 1.00 36.39
ATOM 3772 CDl ILE B 131 40.201 67.669 12.126 1.00 39.78
ATOM 3773 C ILE B 131 43.381 67.837 16.020 1.00 28.73 B
ATOM 3774 O ILE B 131 42.960 68.632 16.850 1.00 32.83 B
ATOM 3775 N VAL B 132 44.673 67.679 15.781 1.00 35.25 B
ATOM 3776 CA VAL B 132 45.660 68.454 16.518 .00 29.15 B
ATOM 3777 CB VAL B 132 46.780 67.566 17.072 .00 28.08 B
ATOM 3778 CGl VAL B 132 47.805 68.436 17.814 1.00 29.72 B
ATOM 3779 CG2 VAL B 132 46.201 66.500 17.989 00 26.64 B
ATOM 3780 C VAL B 132 46.337 69.529 15.697 00 29.24 B
ATOM 3781 O VAL B 132 46.714 69.305 14.555 00 34.76 B
ATOM 3782 N PHE B 133 46.480 70.701 16.292 00 32.25 B
ATOM 3783 CA PHE B 133 47.182 71.778 15.644 00 28.87 B
ATOM 3784 CB PHE B 133 46.311 73.029 15.538 00 33.14 B
ATOM 3785 CG PHE B 133 46.921 74.112 14.680 00 34.90 B
ATOM 3786 CDl PHE B 133 47.663 75.140 15.252 00 28.63 B
ATOM 3787 CD2 PHE B 133 46.781 74.078 13.290 00 32.21 B
ATOM 3788 CEl PHE B 133 48.257 76.120 14.460 00 33.39 B
ATOM 3789 CE2 PHE B 133 47.374 75.052 12.488 00 35.10 B
ATOM 3790 CZ PHE B 133 48.116 76.079 13.079 00 35.82 B
ATOM 3791 C PHE B 133 48.407 72.062 16.514 00 33.73 B
ATOM 3792 O PHE B 133 48.288 72.647 17.591 00 30.09 B
ATOM 3793 N LEU B 134 49.577 71.611 16.067 00 35.76 B
ATOM 3794 CA LEU B 134 50.814 71.844 16.814 00 33.63 B
ATOM 3795 CB LEU B 134 51.922 70.907 16.313 00 29.80 B
ATOM 3796 CG LEU B 134 53.202 70.767 17.150 00 36.84 B
ATOM 3797 CDl LEU B 134 52.878 70.185 18.524 00 34.22 B
ATOM 3798 CD2 LEU B 134 54.180 69.858 16.428 00 38.02 B
ATOM 3799 C LEU B 134 51.146 73.305 16.526 00 32.24 B
ATOM 3800 O LEU B 134 51.621 73.645 15.442 00 33.54 B
ATOM 3801 N ASN B 135 50.880 74.158 17.511 00 35.55 B
ATOM 3802 CA ASN B 135 51.065 75.608 17.405 00 30.46 B
ATOM 3803 CB ASN B 135 50.017 76.296 18.284 00 23.82 B
ATOM 3804 CG ASN B 135 49.827 77.761 17.944 00 35.29 B
ATOM 3805 ODl ASN B 135 49.345 78.538 18.775 00 36.36 B
ATOM 3806 ND2 ASN B 135 50.183 78.147 16.720 00 24.30 B
ATOM 3807 C ASN B 135 52.444 76.145 17.774 00 31.74 B
ATOM 3808 O ASN B 135 53.282 75.433 18.324 00 32.11 B
ATOM 3809 N LYS B 136 52.662 77.417 17.450 00 34.06 B
ATOM 3810 CA LYS B 136 53.908 78.118 17.748 00 34.99 B
ATOM 3811 CB LYS B 136 54.078 78.239 19.269 00 34.35 B
ATOM 3812 CG LYS B 136 52.876 78.886 19.944 00 28.74 B
ATOM 3813 CD LYS B 136 53.172 79.278 21.383 00 29.95 B
ATOM 3814 CE LYS B 136 51.956 79.948 22.010 1.00 29.55 B
ATOM 3815 NZ LYS B 136 52.255 80.419 23.381 1.00 28.46 B
ATOM 3816 C LYS B 136 55.166 77.508 17.145 1.00 37.97
ATOM 3817 O LYS B 136 56.259 77.648 17.702 1.00 39.25 B
ATOM 3818 N CYS B 137 55.028 76.844 16.003 1.00 38.85 B
ATOM 3819 CA CYS B 137 56.188 76.241 15.369 1.00 36.88 B
ATOM 3820 CB CYS B 137 55.748 75.246 14.292 1.00 32.35 B
ATOM 3821 SG CYS B 137 54.910 73.765 14.962 1.00 39.05 B
ATOM 3822 C CYS B 137 57.101 77.309 14.792 1.00 38.03 B
ATOM 3823 O CYS B 137 58.213 77.016 14.367 1.00 42.99 B
ATOM 3824 N ASP B 138 56.633 78.554 14.794 1.00 43.24 B
ATOM 3825 CA ASP B 138 57.429 79.675 14.280 00 46.78 B
ATOM 3826 CB ASP B 138 56.577 80.943 14.191 00 47.60 B
ATOM 3827 CG ASP B 138 55.918 81.291 15.514 00 47.07 B
ATOM 3828 ODl ASP B 138 54.994 80.563 15.936 00 48.36 B
ATOM 3829 OD2 ASP B 138 56.330 82.286 16.141 1.00 46.61 B ATOM 3830 C ASP B 138 58.558 79.928 15.256 1.00 48.84 B
ATOM 3831 O ASP B 138 59.554 80.576 14.933 1.00 48.33 B
ATOM 3832 N MET B 139 58.373 79.411 16.465 1.00 52.06 B
ATOM 3833 CA MET B 139 59.335 79.570 17.535 1.00 53.49 B
ATOM 3834 CB MET B 139 58.597 79.760 18.862 1.00 54.17 B
ATOM 3835 CG MET B 139 59.057 80.964 19.654 1.00 63.76 B
ATOM 3836 SD MET B 139 58.519 82.503 18.908 1.00 70.75 B
ATOM 3837 CE MET B 139 57.649 83.253 20.298 1.00 77.72
ATOM 3838 C MET B 139 60.274 78.376 17.646 1.00 54.73
ATOM 3839 O MET B 139 61.212 78.401 18.438 1.00 57.47
ATOM 3840 N VAL B 140 60.030 77.336 16.856 1.00 58.12 B
ATOM 3841 CA VAL B 140 60.863 76.131 16.902 1.00 62.73 B
ATOM 3842 CB VAL B 140 60.043 74.913 17.408 1.00 59.54 B
ATOM 3843 CGl VAL B 140 60.900 73.649 17.405 1.00 54.99 B
ATOM 3844 CG2 VAL B 140 59.521 75.187 18.803 1.00 51.28 B
ATOM 3845 C VAL B 140 61.476 75.777 15.544 1.00 70.88 B
ATOM 3846 O VAL B 140 60.767 75.679 14.539 1.00 73.12 B
ATOM 3847 N ASP B 141 62.791 75.571 15.517 1.00 75.49 B
ATOM 3848 CA ASP B 141 63.466 75.229 14.271 1.00 80.10 B
ATOM 3849 CB ASP B 141 64.632 76.189 14.020 1.00 85.29 B
ATOM 3850 CG ASP B 141 64.974 76.324 12.543 1.00 93.74 B
ATOM 3851 ODl ASP B 141 64.737 75.373 11.771 1.00 99.44 B
ATOM 3852 OD2 ASP B 141 65.495 77.383 12.145 1.00 97.44 B
ATOM 3853 C ASP B 141 63.993 73.793 14.263 1.00 78.99 B
ATOM 3854 O ASP B 141 64.466 73.305 13.238 1.00 82.82 B
ATOM 3855 N ASP B 142 63.905 73.105 15.392 1.00 78.87 B
ATOM 3856 CA ASP B 142 64.406 71.737 15.463 1.00 75.13 B
ATOM 3857 CB ASP B 142 64.874 71.442 16.887 1.00 75.05 B
ATOM 3858 CG ASP B 142 65.792 70.244 16.961 1.00 79.64 B
ATOM 3859 ODl ASP B 142 66.669 70.103 16.079 1.00 83.25 B
ATOM 3860 OD2 ASP B 142 65.643 69.452 17.912 1.00 82.89 B
ATOM 3861 C ASP B 142 63.375 70.703 15.018 1.00 73.38 B
ATOM 3862 O ASP B 142 62.376 70.474 15.698 1.00 73.27 B
ATOM 3863 N GLU B 143 63.631 70.073 13.876 1.00 74.34 B
ATOM 3864 CA GLU B 143 62.716 69.075 13.331 1.00 75.94 B
ATOM 3865 CB GLU B 143 63.192 68.597 11.958 1.00 80.13 B
ATOM 3866 CG GLU B 143 62.069 68.356 10.941 1.00 .37 B
ATOM 3867 CD GLU B 143 61.380 69.646 10.524 1.00 92.42 B
ATOM 3868 OEl GLU B 143 62.091 70.589 10.115 1.00 96.14 B
ATOM 3869 OE2 GLU B 143 60.134 69.718 10.598 1.00 94.28 B
ATOM 3870 C GLU B 143 62.633 67.896 14.282 1.00 72.82 B
ATOM 3871 O GLU B 143 61.623 67.202 14.335 1.00 74.91 B
ATOM 3872 N GLU B 144 63.706 67.678 15.031 1.00 73.20 B
ATOM 3873 CA GLU B 144 63.759 66.587 15.991 1.00 74.14 B
ATOM 3874 CB GLU B 144 65.197 66.362 16.462 1.00 80.87 B
ATOM 3875 CG GLU B 144 66.079 65.654 15.447 1.00 93.22 B
ATOM 3876 CD GLU B 144 67.484 65.405 15.966 .00 99.28 B
ATOM 3877 OEl GLU B 144 68.259 64.720 15.263 ,00103.41 B
ATOM 3878 OE2 GLU B 144 67.814 65.896 17.071 .00100.00 B
ATOM 3879 C GLU B 144 62.874 66.909 17.183 .00 69.79 B
ATOM 3880 O GLU B 144 62.193 66.036 17.721 1.00 67.53 B
ATOM 3881 N LEU B 145 62.890 68.168 17.599 1.00 68.47 B
ATOM 3882 CA LEU B 145 62.078 68.595 18.726 1.00 65.79 B
ATOM 3883 CB LEU B 145 62.346 70.071 19.039 1.00 71.62 B
ATOM 3884 CG LEU B 145 61.595 70.671 20.235 1.00 78.99 B
ATOM 3885 CDl LEU B 145 62.014 69.945 21.502 1.00 83.37 B
ATOM 3886 CD2 LEU B 145 61.894 72.164 20.360 1.00 81.37 B
ATOM 3887 C LEU B 145 60.605 68.391 18.383 1.00 63.37 B
ATOM 3888 O LEU B 145 59.836 67.864 19.186 1.00 60.54 B ATOM 3889 N LEU B 146 60.226 68.795 17.174 1.00 59.91 B
ATOM 3890 CA LED B 146 58.851 68.672 16.716 1.00 57.85 B
ATOM 3891 CB LEU B 146 58.687 69.345 15.348 1.00 57.85 B
ATOM 3892 CG LEU B 146 58.986 70.855 15.305 1.00 57.97 B
ATOM 3893 CDl LEU B 146 58.818 71.382 13.887 1.00 53.11 B
ATOM 3894 CD2 LEU B 146 58.059 71.597 16.255 1.00 56.23 B
ATOM 3895 C LEU B 146 58.403 67.218 16.654 1.00 60.30 B
ATOM 3896 O LEU B 146 57.314 66.883 17.127 1.00 65.02 B
ATOM 3897 N GLU B 147 59.234 66.347 16.087 1.00 60.51 B
ATOM 3898 CA GLU B 147 58.882 64.929 16.000 1.00 60.43 B
ATOM 3899 CB GLU B 147 60.002 64.119 15.347 1.00 70.58 B
ATOM 3900 CG GLU B 147 60.188 64.352 13.859 1.00 83.87 B
ATOM 3901 CD GLU B 147 61.125 63.328 13.238 1.00 91.77 B
ATOM 3902 OEl GLU B 147 62.245 63.150 13.766 1.00 94.56 B
ATOM 3903 OE2 GLU B 147 60.742 62.704 12.224 1.00 95.91 B
ATOM 3904 C GLU B 147 58.611 64.349 17.379 1.00 57.25 B
ATOM 3905 O GLU B 147 57.653 63.603 17.569 1.00 55.74 B
ATOM 3906 N LEU B 148 59.464 64.696 18.335 1.00 52.63 B
ATOM 3907 CA LEU B 148 59.331 64.212 19.699 1.00 55.75 B
ATOM 3908 CB LEU B 148 60.522 64.704 20.538 1.00 64.05 B
ATOM 3909 CG LEU B 148 60.810 64.056 21.902 1.00 76.61 B
ATOM 3910 CDl LEU B 148 62.206 64.470 22.352 1.00 76.06 B
ATOM 3911 CD2 LEU B 148 59.764 64.464 22.943 1.00 78.03 B
ATOM 3912 C LEU B 148 58.005 64.663 20.324 1.00 51.74 B
ATOM 3913 O LEU B 148 57.284 63.851 20.896 1.00 50.35 B
ATOM 3914 N VAL B 149 57.683 65.948 20.204 1.00 46.44 B
ATOM 3915 CA VAL B 149 56.446 66.481 20.770 1.00 46.19 B
ATOM 3916 CB VAL B 149 56.368 68.017 20.600 1.00 52.98 B
ATOM 3917 CGl VAL B 149 55.082 68.552 21.205 1.00 48.17 B
ATOM 3918 CG2 VAL B 149 57.572 68.669 21.260 1.00 58.10 B
ATOM 3919 C VAL B 149 55.211 65.839 20.131 1.00 45.47 B
ATOM 3920 O VAL B 149 54.252 65.490 20.832 1.00 42.01 B
ATOM 3921 N GLU B 150 55.220 65.686 18.810 1.00 40.91 B
ATOM 3922 CA GLU B 150 54.088 65.053 18.135 1.00 45.99 B
ATOM 3923 CB GLU B 150 54.330 64.933 16.629 1.00 45.62 B
ATOM 3924 CG GLU B 150 54.350 66.250 15.878 1.00 57.77 B
ATOM 3925 CD GLU B 150 54.365 66.058 14.374 1.00 60.03 B
ATOM 3926 OEl GLU B 150 54.307 67.068 13.644 1.00 66.39 B
ATOM 3927 OE2 GLU B 150 54.432 64.898 13.920 1.00 64.33 B
ATOM 3928 C GLU B 150 53.909 63.652 18.703 1.00 51.29 B
ATOM 3929 O GLU B 150 52.800 63.217 19.009 1.00 53.14 B
ATOM 3930 N MET B 151 55.027 62.953 18.838 1.00 56.03 B
ATOM 3931 CA MET B 151 55.034 61.601 19.357 1.00 58.27 B
ATOM 3932 CB MET B 151 56.479 61.112 19.488 1.00 67.00 B
ATOM 3933 CG MET B 151 56.639 59.603 19.596 1.00 76.50 B
ATOM 3934 SD MET B 151 58.382 59.116 19.785 1.00 92.95 B
ATOM 3935 CE MET B 151 59.026 59.504 18.120 "1.00 84.26 B
ATOM 3936 C MET B 151 54.327 61.527 20.708 1.00 52.35 B
ATOM 3937 O MET B 151 53.462 60.676 20.910 1.00 49.26 B
ATOM 3938 N GLU B 152 54.666 62.420 21.631 1.00 49.13 B
ATOM 3939 CA GLU B 152 54.021 62.357 22.936 1.00 50.34 B
ATOM 3940 CB GLU B 152 54.846 63.086 24.012 1.00 56.73 B
ATOM 3941 CG GLU B 152 54.872 64.597 23.972 1.00 66.78 B
ATOM 3942 CD GLU B 152 55.671 65.173 25.139 1.00 71.22 B
ATOM 3943 OEl GLU B 152 55.307 64.899 26.305 1.00 71.07 B
ATOM 3944 OE2 GLU B 152 56.663 65.894 24.892 1.00 74.77 B
ATOM 3945 C GLU B 152 52.583 62.853 22.926 1.00 50.05 B
ATOM 3946 O GLU B 152 51.832 62.587 23.861 1.00 50.75 B
ATOM 3947 N VAL B 153 52.188 63.565 21.873 1.00 45.46 B ATOM 3948 CA VAL B 153 50.809 64.037 21.777 00 41.06 B
ATOM 3949 CB VAL B 153 50.657 65.191 20.728 00 45.49 B
ATOM 3950 CGl VAL B 153 49.189 65.418 20.405 00 38.39 B
ATOM 3951 CG2 VAL B 153 51.265 66.483 21.268 00 43.21 B
ATOM 3952 C VAL B 153 49.982 62.819 21.341 00 38.58 B
ATOM 3953 O VAL B 153 48.862 62.589 21.822 00 27.39 B
ATOM 3954 N ARG B 154 50.547 62.032 20.430 00 36.24 B
ATOM 3955 CA ARG B 154 49.877 60.829 19.962 00 41.54 B
ATOM 3956 CB ARG B 154 50.646 60.195 18.805 00 38.52 B
ATOM 3957 CG ARG B 154 50.556 60.976 17.498 00 40.14 B
ATOM 3958 CD ARG B 154 51.190 60.206 16.341 00 36.70 B
ATOM 3959 NE ARG B 154 51.383 61.041 15.153 00 43.04 B
ATOM 3960 CZ ARG B 154 50.396 61.534 14.402 00 47.70 B
ATOM 3961 NHl ARG B 154 50.678 62.286 13.344 00 40.07
ATOM 3962 NH2 ARG B 154 49.127 61.268 14.694 00 37.59 B
ATOM 3963 C ARG B 154 49.706 59.813 21.095 00 45.61 B
ATOM 3964 O ARG B 154 48.659 59.169 21.208 00 44.27 B
ATOM 3965 N GLU B 155 50.724 59.673 21.938 00 44.49 B
ATOM 3966 CA GLU B 155 50.640 58.740 23.054 00 45.43
ATOM 3967 CB GLU B 155 52.010 58.564 23.720 00 54.47
ATOM 3968 CG GLU B 155 53.087 58.072 22.767 00 67.84
ATOM 3969 CD GLU B 155 54.424 57.837 23.447 00 78.81 B
ATOM 3970 OEl GLU B 155 54.929 58.766 24.119 00 82.91 B
ATOM 3971 OE2 GLU B 155 54.973 56.722 23.299 00 80.59 B
ATOM 3972 C GLU B 155 49.627 59.244 24.071 00 43.31 B
ATOM 3973 O GLU B 155 48.869 58.453 24.637 00 41.21 B
ATOM 3974 N LEU B 156 49.611 60.559 24.301 00 42.62 B
ATOM 3975 CA LEU B 156 48.672 61.148 25.256 1.00 38.62 B
ATOM 3976 CB LEU B 156 48.890 62.665 25.373 1.00 34.53 B
ATOM 3977 CG LEU B 156 48.099 63.358 26.489 1.00 38.68 B
ATOM 3978 CDl LEU B 156 48.377 62.664 27.820 1.00 34.05 B
ATOM 3979 CD2 LEU B 156 48.480 64.822 26.572 1.00 34.90 B
ATOM 3980 C LEU B 156 47.251 60.864 24.779 1 .00 41.58 B
ATOM 3981 O LEU B 156 46.376 60.485 25.566 1.00 41.73 B
ATOM 3982 N LEU B 157 47.026 61.046 23.481 1.00 45.16
ATOM 3983 CA LEU B 157 45.713 60.799 22.895 1.00 43.24
ATOM 3984 CB LEU B 157 45.706 61.215 21.419 1.00 41.99
ATOM 3985 CG LEU B 157 45.527 62.708 21.116 1.00 38.69 B
ATOM 3986 CDl LEU B 157 45.744 62.964 19.631 1.00 39.43 B
ATOM 3987 CD2 LEU B 157 44.129 63.155 21.538 1.00 31.88 B
ATOM 3988 C LEU B 157 45.311 59.328 23.025 1.00 44.57 B
ATOM 3989 O LEU B 157 44.166 59.007 23.370 1.00 36.69 B
ATOM 3990 N SER B 158 46.254 58.435 22.744 1.00 45.08 B
ATOM 3991 CA SER B 158 45.988 57.004 22.835 1.00 44.41 B
ATOM 3992 CB SER B 158 47.188 56.199 22.321 1.00 51.67 B
ATOM 3993 OG SER B 158 47.327 56.300 20.910 1.00 50.07 B
ATOM 3994 C SER B 158 45.672 56.596 24.272 1.00 45.84 B
ATOM 3995 O SER B 158 44.819 55.736 24.508 1.00 43.27 B
ATOM 3996 N GLN B 159 46.351 57.212 25.234 1.00 42.49 B
ATOM 3997 CA GLN B 159 46.100 56.882 26.631 1.00 44.45 B
ATOM 3998 CB GLN B 159 47.083 57.623 27.540 1.00 44.47 B
ATOM 3999 CG GLN B 159 46.762 57.500 29.010 1.00 57.87 B
ATOM 4000 CD GLN B 159 48.006 57.453 29.866 1.00 71.02 B
ATOM 4001 OEl GLN B 159 48.975 58.176 29.616 00 73.72 B
ATOM 4002 NE2 GLN B 159 47.985 56.605 30.892 00 76.52 B
ATOM 4003 C GLN B 159 44.663 57.200 27.034 00 41.16 B
ATOM 4004 O GLN B 159 44.142 56.623 27.980 00 45.06 B
ATOM 4005 N TYR B 160 44.018 58.109 26.308 00 40.91 B
ATOM 4006 CA TYR B 160 42.642 58.481 26.617 1.00 37.56 B ATOM 4007 CB TYR B 160 42.512 60.011 26.668 .00 38.58 B
ATOM 4008 CG TYR B 160 43.154 60.580 27.923 .00 37.45 B
ATOM 4009 CDl TYR B 160 42.432 60.682 29.110 .00 31.56 B
ATOM 4010 CEl TYR B 160 43.035 61.105 30.281 .00 39.67 B
ATOM 4011 CD2 TYR B 160 44.508 60.926 27.944 .00 38.78 B
ATOM 4012 CE2 TYR B 160 45.125 61.350 29.121 .00 44.09 B
ATOM 4013 CZ TYR B 160 44.378 61.435 30.287 .00 38.69 B
ATOM 4014 OH TYR B 160 44.972 61.834 31.458 1.00 48.44 B
ATOM 4015 C TYR B 160 41.665 57.854 25.632 00 38.32 B
ATOM 4016 O TYR B 160 40.516 58.280 25.485 00 38.38 B
ATOM 4017 N ASP B 161 42.142 56.821 24.953 00 38.02 B
ATOM 4018 CA ASP B 161 41.317 56.073 24.027 00 45.43 B
ATOM 4019 CB ASP B 161 40.082 55.564 24.786 00 54.51 B
ATOM 4020 CG ASP B 161 39.321 54.494 24.025 00 61.25 B
ATOM 4021 ODl ASP B 161 39.971 53.621 23.409 00 62.67 B
ATOM 4022 OD2 ASP B 161 38.071 54.516 24.056 00 63.75 B
ATOM 4023 C ASP B 161 40.913 56.783 22.720 00 49.97 B
ATOM 4024 O ASP B 161 39.821 56.556 22.186 00 52.52 B
ATOM 4025 N PHE B 162 41.794 57.639 22.208 00 42.41 B
ATOM 4026 CA PHE B 162 41.546 58.312 20.938 00 36.29 B
ATOM 4027 CB PHE B 162 41.742 59.837 21.049 00 34.39 B
ATOM 4028 CG PHE B 162 40.536 60.573 21.583 00 27.39 B
ATOM 4029 CDl PHE B 162 39.417 60.770 20.784 00 29.77 B
ATOM 4030 CD2 PHE B 162 40.507 61.040 22.897 00 26.51 B
ATOM 4031 CEl PHE B 162 38.275 61.422 21.276 00 28.94 B
ATOM 4032 CE2 PHE B 162 39.372 61.691 23.405 00 26.58 B
ATOM 4033 CZ PHE B 162 38.249 61.881 22.590 1.00 25.78 B
ATOM 4034 C PHE B 162 42.585 57.707 19.999 .00 39.71 B
ATOM 4035 O PHE B 162 43.626 57.217 20.448 .00 36.32 B
ATOM 4036 N PRO B 163 42.311 57.718 18.687 .00 37.54 B
ATOM 4037 CD PRO B 163 41.096 58.291 18.087 .00 34.92 B
ATOM 4038 CA PRO B 163 43.200 57.173 17.655 .00 38.46 B
ATOM 4039 CB PRO B 163 42.378 57.297 16.373 .00 39.40 B
ATOM 4040 CG PRO B 163 40.954 57.474 16.850 .00 40.66 B
ATOM 4041 C PRO B 163 44.506 57.950 17.533 .00 45.08 B
ATOM 4042 O PRO B 163 44.751 58.586 16.508 .00 46.79 B
ATOM 4043 N GLY B 164 45.343 57.898 18.563 .00 40.24 B
ATOM 4044 CA GLY B 164 46.602 58.616 18.513 .00 43.73
ATOM 4045 C GLY B 164 47.403 58.468 17.228 .00 47.82 B
ATOM 4046 O GLY B 164 47.971 59.438 16.722 .00 44.06 B
ATOM 4047 N ASP B 165 47.450 57.259 16.681 1.00 48.73 B
ATOM 4048 CA ASP B 165 48.233 57.033 15.474 00 48.81 B
ATOM 4049 CB ASP B 165 48.591 55.547 15.342 00 54.85 B
ATOM 4050 CG ASP B 165 49.384 55.029 16.531 00 62.06 B
ATOM 4051 ODl ASP B 165 50.426 55.639 16.887 00 60.48 B
ATOM 4052 OD2 ASP B 165 48.956 54.004 17.106 1.00 64.90 B
ATOM 4053 C ASP B 165 47.576 57.518 14.190 00 49.02 B
ATOM 4054 O ASP B 165 48.270 57.826 13.217 00 47.19 B
ATOM 4055 N ASP B 166 46.250 57.598 14.179 00 42.87 B
ATOM 4056 CA ASP B 166 45.542 58.045 12.984 00 47.38 B
ATOM 4057 CB ASP B 166 44.278 57.212 12.767 00 51.33 B
ATOM 4058 CG ASP B 166 44.565 55.733 12.667 1.00 59.00 B
ATOM 4059 ODl ASP B 166 45.411 55.348 11.831 00 64.68 B
ATOM 4060 OD2 ASP B 166 43.942 54.952 13.423 00 66.42 B
ATOM 4061 C ASP B 166 45.153 59.520 13.052 00 48.19 B
ATOM 4062 O ASP B 166 44.522 60.052 12.131 00 45.39 B
ATOM 4063 N THR B 167 45.531 60.173 14.144 00 42.33 B
ATOM 4064 CA THR B 167 45.214 61.574 14.346 00 35.36 B
ATOM 4065 CB THR B 167 45.464 61.995 15.803 1.00 33.93 B ATOM 4066 OGl THR B 167 44.672 61.177 16.672 00 32.56 B
ATOM 4067 CG2 THR B 167 45.088 63.465 16.004 00 33.50 B
ATOM 4068 C THR B 167 45.998 62.524 13.458 00 32.36 B
ATOM 4069 O THR B 167 47.229 62.509 13.432 00 29.99 B
ATOM 4070 N PRO B 168 45.287 63.365 12.702 00 31.74 B
ATOM 4071 CD PRO B 168 43.852 63.364 12.381 00 32.05 B
ATOM 4072 CA PRO B 168 46.014 64.302 11.851 00 32.48 B
ATOM 4073 CB PRO B 168 44.938 64.803 10.887 00 31.14 B
ATOM 4074 CG PRO B 168 43.692 64.669 11.663 00 38.50 B
ATOM 4075 C PRO B 168 46.625 65.415 12.699 00 35.82 B
ATOM 4076 O PRO B 168 45.944 66.017 13.545 00 32.24 B
ATOM 4077 N ILE B 169 47.917 65.662 12.494 00 33.25 B
ATOM 4078 CA ILE B 169 48.614 66.709 13.228 00 38.06 B
ATOM 4079 CB ILE B 169 49.752 66.134 14.095 00 36.09 B
ATOM 4080 CG2 ILE B 169 50.444 67.265 14.865 00 33.27 B
ATOM 4081 CGl ILE B 169 49.182 65.111 15.076 00 32.53 B
ATOM 4082 CDl ILE B 169 50.230 64.480 15.980 00 40.82 B
ATOM 4083 C ILE B 169 49.194 67.733 12.258 00 39.88 B
ATOM 4084 O ILE B 169 49.963 67.396 11.358 00 40.69 B
ATOM 4085 N VAL B 170 48.816 68.988 12.444 00 35.27 B
ATOM 4086 CA VAL B 170 49.300 70.048 11.587 00 36.19 B
ATOM 4087 CB VAL B 170 48.139 70.957 11.112 1.00 41.59 B
ATOM 4088 CGl VAL B 170 48.693 72.125 10.277 1.00 33.03 B
ATOM 4089 CG2 VAL B 170 47.142 70.139 10.299 1.00 28.12 B
ATOM 4090 C VAL B 170 50.315 70.898 12.331 .00 37.33 B
ATOM 4091 O VAL B 170 50.069 71.327 13.458 , 00 41.12 B
ATOM 4092 N ARG B 171 51.460 71.134 11.700 1.00 33.33 B
ATOM 4093 CA ARG B 171 52.500 71.962 12.298 1.00 39.71 B
ATOM 4094 CB ARG B 171 53.880 71.461 11.899 1.00 46.03 B
ATOM 4095 CG ARG B 171 54.219 70.105 12.441 1.00 47.05 B
ATOM 4096 CD ARG B 171 55.610 69.746 12.018 1.00 52.58 B
ATOM 4097 NE ARG B 171 56.018 68.455 12.550 1.00 56.62 B
ATOM 4098 CZ ARG B 171 57.171 67.867 12.264 00 51.91 B
ATOM 4099 NHl ARG B 171 57.465 66.688 12.794 00 56.90 B
ATOM 4100 NH2 ARG B 171 58.027 68.462 11.447 00 53.29 B
ATOM 4101 C ARG B 171 52.329 73.382 11.792 00 35.84 B
ATOM 4102 O ARG B 171 52.549 73.656 10.619 00 33.17 B
ATOM 4103 N GLY B 172 51.940 74.295 12.666 00 34.78 B
ATOM 4104 CA GLY B 172 51.751 75.645 12.189 00 36.49 B
ATOM 4105 C GLY B 172 52.066 76.738 13.170 00 32.79 B
ATOM 4106 O GLY B 172 52.685 76.514 14.204 00 30.67 B
ATOM 4107 N SER B 173 51.641 77.939 12.811 1.00 34.59 B
ATOM 4108 CA SER B 173 51.834 79.117 13.632 1.00 33.62 B
ATOM 4109 CB SER B 173 53.044 79.917 13.151 1.00 25.88 B
ATOM 4110 OG SER B 173 53.118 81.150 13.840 1.00 31.69 B
ATOM 4111 C SER B 173 50.568 79.939 13.473 1.00 32.99 B
ATOM 4112 O SER B 173 50.340 80.552 12.431 00 28.66 B
ATOM 4113 N ALA B 174 49.731 79.929 14.499 00 30.28
ATOM 4114 CA ALA B 174 48.495 80.682 14.441 00 30.89 B
ATOM 4115 CB ALA B 174 47.675 80.433 15.699 00 25.22 B
ATOM 4116 C ALA B 174 48.787 82.172 14.280 1.00 30.96 B
ATOM 4117 O ALA B 174 48.142 82.851 13.494 00 35.63 B
ATOM 4118 N LEU B 175 49.786 82.665 15.006 00 32.25 B
ATOM 4119 CA LEU B 175 50.134 84.083 14.969 00 33.69 B
ATOM 4120 CB LEU B 175 51.141 84.410 16.081 00 28.24 B
ATOM 4121 CG LEU B 175 51.500 85.885 16.311 00 39.70 B
ATOM 4122 CDl LEU B 175 50.264 86.670 16.731 00 33.72 B
ATOM 4123 CD2 LEU B 175 52.575 85.993 17.394 00 34.31 B
ATOM 4124 C LEU B 175 50.680 84.572 13.628 1.00 35.53 B ATOM 4125 O LEU B 175 50.232 85.590 13.111 00 30.21 B
ATOM 4126 N LYS B 176 51.648 83.861 13.066 00 34.74 B
ATOM 4127 CA LYS B 176 52.201 84.291 11.797 00 35.87 B
ATOM 4128 CB LYS B 176 53.391 83.423 11.405 00 39.61 B
ATOM 4129 CG LYS B 176 54.530 83.478 12.414 00 49.19 B
ATOM 4130 CD LYS B 176 55.807 84.068 11.834 .00 61.06 B
ATOM 4131 CE LYS B 176 55.674 85.556 11.541 ,00 72.55 B
ATOM 4132 NZ LYS B 176 56.959 86.126 11.028 ,00 75.19 B
ATOM 4133 C LYS B 176 51.129 84.247 10.730 ,00 34.82 B
ATOM 4134 O LYS B 176 51.049 85.145 9.907 ,00 37.68 B
ATOM 4135 N ALA B 177 50.283 83.222 10.764 .00 36.39 B
ATOM 4136 CA ALA B 177 49.208 83.101 9.784 .00 33.55 B
ATOM 4137 CB ALA B 177 48.468 81.778 9.980 .00 31.68 B
ATOM 4138 C ALA B 177 48.229 84.271 9.891 ,00 35.27 B
ATOM 4139 O ALA B 177 47.797 84.822 8.879 ,00 31.07 B
ATOM 4140 N LEU B 178 47.891 84.647 11.122 ,00 36.56 B
ATOM 4141 CA LEU B 178 46.957 85.747 11.381 .00 41.77 B
ATOM 4142 CB LEU B 178 46.715 85.889 12.889 00 37.77 B
ATOM 4143 CG LEU B 178 45.346 86.273 13.458 00 45.42 B
ATOM 4144 CDl LEU B 178 45.580 86.938 14.812 ,00 40.41 B
ATOM 4145 CD2 LEU B 178 44.582 87.200 12.541 ,00 32.10 B
ATOM 4146 C LEU B 178 47.559 87.052 10.864 ,00 41.59 B
ATOM 4147 O LEU B 178 46.851 87.961 10.415 .00 43.57 B
ATOM 4148 N GLU B 179 48.878 87.138 10.937 .00 38.20 B
ATOM 4149 CA GLU B 179 49.571 88.335 10.505 ,00 42.18 B
ATOM 4150 CB GLU B 179 50.860 88.493 11.310 ,00 38.77 B
ATOM 4151 CG GLU B 179 50.580 88.869 12.761 ,00 42.99 B
ATOM 4152 CD GLU B 179 51.808 88.814 13.659 ,00 49.65 B
ATOM 4153 OEl GLU B 179 51.698 89.255 14.829 ,00 45.64 B
ATOM 4154 OE2 GLU B 179 52.869 88.328 13.205 ,00 46.12 B
ATOM 4155 C GLU B 179 49.840 88.398 9.007 .00 43.22 B
ATOM 4156 O GLU B 179 50.462 89.347 8.527 ,00 47.34 B
ATOM 4157 N GLY B 180 49.381 87.389 8.272 .00 37.57 B
ATOM 4158 CA GLY B 180 49.535 87.410 6.826 1.00 38.16 B
ATOM 4159 C GLY B 180 50.687 86.691 6.167 1.00 37.56 B
ATOM 4160 O GLY B 180 50.873 86.834 4.967 1.00 45.44 B
ATOM 4161 N ASP B 181 51.468 85.923 6.914 1.00 40.41 B
ATOM 4162 CA ASP B 181 52.582 85.207 6.300 .00 38.66 B
ATOM 4163 CB ASP B 181 53.537 84.684 7.365 .00 36.62 B
ATOM 4164 CG ASP B 181 54.827 84.139 6.774 .00 41.39 B
ATOM 4165 ODl ASP B 181 54.772 83.418 5.755 .00 47.09 B
ATOM 4166 OD2 ASP B 181 55.905 84.424 7.337 .00 53.19 B
ATOM 4167 C ASP B 181 52.040 84.035 5.481 .00 38.93 B
ATOM 4168 O ASP B 181 51.590 83.028 6.040 .00 37.12 B
ATOM 4169 N ALA B 182 52.103 84.170 4.158 .00 35.67 B
ATOM 4170 CA ALA B 182 51.603 83.153 3.238 .00 36.78 B
ATOM 4171 CB ALA B 182 51.935 83.540 1.801 .00 32.49 B
ATOM 4172 C ALA B 182 52.084 81.732 3.516 1.00 37.60 B
ATOM 4173 O ALA B 182 51.307 80.783 3.411 1.00 40.72 B
ATOM 4174 N GLU B 183 53.352 81.561 3.866 1.00 39.17 B
ATOM 4175 CA GLU B 183 53.834 80.208 4.137 .00 41.12 B
ATOM 4176 CB GLU B 183 55.345 80.204 4.338 .00 46.55 B
ATOM 4177 CG GLU B 183 56.105 80.402 3..038 .00 60.98 B
ATOM 4178 CD GLU B 183 57.602 80.264 3..200 ,00 67.65 B
ATOM 4179 OEl GLU B 183 58.187 81.029 3..994 ,00 69.93 B
ATOM 4180 OE2 GLU B 183 58.194 79.390 2..528 ,00 74.13
ATOM 4181 C GLU B 183 53.145 79.560 5..333 .00 44.63 B
ATOM 4182 O GLU B 183 52.948 78.338 5.357 .00 45.75 B
ATOM 4183 N TRP B 184 52.773 80.370 6.323 1.00 35.96 B ATOM 4184 CA TRP B 184 52.090 79.833 7.488 1.00 38.84 B
ATOM 4185 CB TRP B 184 52.395 80.680 8.727 1.00 33.79 B
ATOM 4186 CG TRP B 184 53.796 80.483 9.232 1.00 33.99 B
ATOM 4187 CD2 TRP B 184 54.346 79.285 9.797 1.00 36.69 B
ATOM 4188 CE2 TRP B 184 55.712 79.541 10.071 1.00 34.77 B
ATOM 4189 CE3 TRP B 184 53.819 78.018 10.097 1.00 33.95 B
ATOM 4190 CDl TRP B 184 54.820 81.390 9.193 1.00 36.55 B
ATOM 4191 NEl TRP B 184 55.971 80.832 9.692 1.00 35.28 B
ATOM 4192 CZ2 TRP B 184 56.560 78.579 10.630 1.00' 30.96 B
ATOM 4193 CZ3 TRP B 184 54.665 77.053 10.657 1.00 35.13 B
ATOM 4194 CH2 TRP B 184 56.023 77.344 10.917 1.00 36.35 B
ATOM 4195 C TRP B 184 50.577 79.738 7.269 1.00 42.00 B
ATOM 4196 O TRP B 184 49.915 78.878 7.860 1.00 41.63
ATOM 4197 N GLU B 185 50.038 80.612 6.419 1.00 35.44 B
ATOM 4198 CA GLU B 185 48.609 80.609 6.132 1.00 34.46 B
ATOM 4199 CB GLU B 185 48.244 81.764 5.186 1.00 26.77 B
ATOM 4200 CG GLU B 185 48.539 83.146 5.770 1.00 37.01 B
ATOM 4201 CD GLU B 185 48.177 84.289 4.835 1.00 46.30 B
ATOM 4202 OEl GLU B 185 48.659 84.295 3.669 1.00 34.23 B
ATOM 4203 OE2 GLU B 185 47.416 85.187 5.274 1.00 41.00 B
ATOM 4204 C GLU B 185 48.261 79.285 5.482 1.00 31.41 B
ATOM 4205 O GLU B 185 47.157 78.774 5.647 1.00 37.79 B
ATOM 4206 N ALA B 186 49.217 78.730 4.746 1.00 27.85 B
ATOM 4207 CA ALA B 186 49.002 77.463 4.062 1.00 34.20 B
ATOM 4208 CB ALA B 186 50.243 77.079 3.266 1.00 28.95 B
ATOM 4209 C ALA B 186 48.658 76.369 5.073 1.00 35.97 B
ATOM 4210 O ALA B 186 47.821 75.501 4.797 1.00 31.44 B
ATOM 4211 N LYS B 187 49.301 76.419 6.242 1.00 28.67 B
ATOM 4212 CA LYS B 187 49.049 75.436 7.292 1.00 32.36
ATOM 4213 CB LYS B 187 50.068 75.601 8.417 1.00 32.81
ATOM 4214 CG LYS B 187 51.475 75.223 7.987 1.00 35.99
ATOM 4215 CD LYS B 187 51.485 73.797 7.448 1.00 44.76
ATOM 4216 CE LYS B 187 52.874 73.331 7.071 1.00 48.04
ATOM 4217 NZ LYS B 187 52.867 71.895 6.660 1.00 46.11 B
ATOM 4218 C LYS B 187 47.621 75.529 7.829 1.00 30.34 B
ATOM 4219 O LYS B 187 47.013 74.520 8.186 1.00 35.51 B
ATOM 4220 N ILE B 188 47.086 76.741 7.881 1.00 28.16 B
ATOM 4221 CA ILE B 188 45.720 76.922 8.321 1.00 25.85 B
ATOM 4222 CB ILE B 188 45.359 78.413 8.391 1.00 25.88 B
ATOM 4223 CG2 ILE B 188 43.878 78.574 8.767 1.00 20.37
ATOM 4224 CGl ILE B 188 46.271 79.109 9.408 1.00 21.32
ATOM 4225 CDl ILE B 188 46.135 78.564 10.852 1.00 21.80
ATOM 4226 C ILE B 188 44.816 76.220 7.302 1.00 29.08
ATOM 4227 O ILE B 188 43.849 75.548 7.672 1.00 30.09
ATOM 4228 N LEU B 189 45.135 76.361 6.016 1.00 26.61 B
ATOM 4229 CA LEU B 189 44.323 75.723 4.978 1.00 31.60 B
ATOM 4230 CB LEU B 189 44.755 76.203 3.592 1.00 23.87 B
ATOM 4231 CG LEU B 189 44.427 77.678 3.353 1.00 28.81 B
ATOM 4232 CDl LEU B 189 45.041 78.128 2.049 1.00 32.38 B
ATOM 4233 CD2 LEU B 189 42.904 77.877 3.350 1.00 25.49 B
ATOM 4234 C LEU B 189 44.417 74.204 5.069 1.00 30.21 B
ATOM 4235 O LEU B 189 43.464 73.488 4.744 1.00 36.26 B
ATOM 4236 N GLU B 190 45.571 73.719 5.509 1.00 28.42 B
ATOM 4237 CA GLU B 190 45.770 72.286 5.680 1.00 31.21 B
ATOM 4238 CB GLU B 190 47.218 71.984 6.077 1.00 31.18 B
ATOM 4239 CG GLU B 190 47.577 70.506 6.013 1.00 38.22 B
ATOM 4240 CD GLU B 190 48.935 70.205 6.625 1.00 46.97 B
ATOM 4241 OEl GLU B 190 49.864 71.023 6.455 1.00 57.03 B
ATOM 4242 OE2 GLU B 190 49.081 69.144 7.268 1.00 55.75 B ATOM 4243 C GLU B 190 44.831 71.850 6.805 .00 32.48 B
ATOM 4244 O GLU B 190 44.119 70.852 6.676 .00 30.50 B
ATOM 4245 N LEU B 191 44.826 72.611 7.902 .00 28.25 B
ATOM 4246 CA LEU B 191 43.949 72.302 9.034 .00 30.21 B
ATOM 4247 CB LEU B 191 44.101 73.343 10.150 .00 35.19 B
ATOM 4248 CG LEU B 191 43.118 73.188 11.319 , 00 34.52 B
ATOM 4249 CDl LEU B 191 43.409 71.864 12.051 .00 28.67 B
ATOM 4250 CD2 LEU B 191 43.239 74.379 12.270 1.00 24.95 B
ATOM 4251 C LEU B 191 42.496 72.269 8.591 00 29.24 B
ATOM 4252 O LEU B 191 41.768 71.333 8.915 00 35.77 B
ATOM 4253 N ALA B 192 42.077 73.291 7.845 00 27.90 B
ATOM 4254 CA ALA B 192 40.697 73.360 7.364 00 25.06 B
ATOM 4255 CB ALA B 192 40.451 74.665 6.586 00 22.85 B
ATOM 4256 C ALA B 192 40.408 72.162 6.480 00 25.78 B
ATOM 4257 O ALA B 192 39.293 71.657 6.467 00 26.58 B
ATOM 4258 N GLY B 193 41.416 71.722 5.730 00 26.08 B
ATOM 4259 CA GLY B 193 41.239 70.559 4.877 00 28.40 B
ATOM 4260 C GLY B 193 40.914 69.332 5.722 00 31.42 B
ATOM 4261 O GLY B 193 40.090 68.502 5.332 00 34.76 B
ATOM 4262 N PHE B 194 41.548 69.221 6.889 00 29.78
ATOM 4263 CA PHE B 194 41.292 68.092 7.775 1.00 33.25
ATOM 4264 CB PHE B 194 42.390 67.983 8.824 1.00 30.99
ATOM 4265 CG PHE B 194 43.635 67.304 8.321 1.00 30.54 B
ATOM 4266 CDl PHE B 194 43.569 66.024 7.759 .00 33.74 B
ATOM 4267 CD2 PHE B 194 44.876 67.927 8.426 .00 31.32 B
ATOM 4268 CEl PHE B 194 44.725 65.372 7.309 .00 30.39 B
ATOM 4269 CE2 PHE B 194 46.049 67.283 7.980 .00 28.59 B
ATOM 4270 CZ PHE B 194 45.969 66.004 7.422 .00 33.74 B
ATOM 4271 C PHE B 194 39.921 68.167 8.437 .00 31.42
ATOM 4272 O PHE B 194 39.304 67.140 8.713 .00 36.13
ATOM 4273 N LEU B 195 39.435 69.375 8.687 .00 30.81 B
ATOM 4274 CA LEU B 195 38.111 69.520 9.277 .00 32.06 B
ATOM 4275 CB LEU B 195 37.791 71.001 9.540 .00 27.60 B
ATOM 4276 CG LEU B 195 38.581 71.698 10.661 .00 28.10 B
ATOM 4277 CDl LEU B 195 38.236 73.182 10.715 1.00 24.06 B
ATOM 4278 CD2 LEU B 195 38.248 71.063 11.997 1.00 23.00 B
ATOM 4279 C LEU B 195 37.104 68.937 8.280 1.00 34.94 B
ATOM 4280 O LEU B 195 36.167 68.223 8.662 1.00 32.86 B
ATOM 4281 N ASP B 196 37.319 69.241 6.998 1.00 28.78 B
ATOM 4282 CA ASP B 196 36.462 68.766 5.908 00 30.54 B
ATOM 4283 CB ASP B 196 36.823 69.482 4.594 00 31.90 B
ATOM 4284 CG ASP B 196 36.344 70.936 4.541 00 40.16 B
ATOM 4285 ODl ASP B 196 36.887 71.692 3.705 00 36.60 B
ATOM 4286 OD2 ASP B 196 35.433 71.330 5.304 00 36.01 B
ATOM 4287 C ASP B 196 36.549 67.256 5.631 1.00 33.11 B
ATOM 4288 O ASP B 196 35.543 66.624 5.306 1.00 33.65
ATOM 4289 N SER B 197 37.751 66.690 5.729 1.00 33.38 B
ATOM 4290 CA SER B 197 37.956 65.274 5.417 1.00 34.43 B
ATOM 4291 CB SER B 197 39.279 65.088 4.667 00 29.62 B
ATOM 4292 OG SER B 197 40.388 65.486 5.457 00 30.09 B
ATOM 4293 C SER B 197 37.921 64.300 6.578 00 32.91 B
ATOM 4294 O SER B 197 37.344 63.228 6.465 00 38.27 B
ATOM 4295 N TYR B 198 38.542 64.676 7.688 00 36.40 B
ATOM 4296 CA TYR B 198 38.599 63.821 8.858 00 32.42 B
ATOM 4297 CB TYR B 198 39.714 64.300 9.777 00 25.88 B
ATOM 4298 CG TYR B 198 40.057 63.314 10.865 00 34.78 B
ATOM 4299 CDl TYR B 198 39.788 63.611 12.201 00 28.39
ATOM 4300 CEl TYR B 198 40.089 62.705 13.221 00 34.10
ATOM 4301 CD2 TYR B 198 40.647 62.073 10.562 1.00 29.77 ATOM 4302 CE2 TYR B 198 40.954 61.153 11.582 1.00 28.31 B
ATOM 4303 CZ TYR B 198 40.668 61.482 12.912 1.00 31.59 B
ATOM 4304 OH TYR B 198 40.948 60.603 13.942 1.00 38.41 B
ATOM 4305 C TYR B 198 37.283 63.703 9.628 1.00 34.09 B
ATOM 4306 O TYR B 198 36.972 62.636 10.162 1.00 38.58 B
ATOM 4307 N ILE B 199 36.511 64.782 9.693 1.00 32.32 B
ATOM 4308 CA ILE B 199 35.229 64.740 10.392 1.00 37.91 B
ATOM 4309 CB ILE B 199 34.863 66.080 11.014 1.00 32.49 B
ATOM 4310 CG2 ILE B 199 33.506 65.963 11.706 1.00 31.23 B
ATOM 4311 CGl ILE B 199 35.946 66.513 12.003 1.00 35.30 B
ATOM 4312 CDl ILE B 199 35.730 67.905 12.547 1.00 33.05 B
ATOM 4313 C ILE B 199 34.126 64.400 9.404 1.00 45.01 B
ATOM 4314 O ILE B 199 33.815 65.191 8.522 1.00 43.92 B
ATOM 4315 N PRO B 200 33.514 63.219 9.540 1.00 49.51 B
ATOM 4316 CD PRO B 200 33.736 62.180 10.559 1.00 52.47 B
ATOM 4317 CA PRO B 200 32.444 62.834 8.617 1.00 50.53 B
ATOM 4318 CB PRO B 200 32.169 61.381 9.002 1.00 49.47 B
ATOM 4319 CG PRO B 200 32.452 61.374 10.481 1.00 53.87 B
ATOM 4320 C PRO B 200 31.203 63.718 8.734 1.00 49.60 B
ATOM 4321 O PRO B 200 30.910 64.266 9.802 1.00 49.70 B
ATOM 4322 N GLU B 201 30.484 63.858 7.625 1.00 50.15 B
ATOM 4323 CA GLU B 201 29.263 64.661 7.596 1.00 55.04 B
ATOM 4324 CB GLU B 201 28.653 64.627 6.191 1.00 51.77 B
ATOM 4325 CG GLU B 201 27.682 65.759 5.901 1.00 60.18 B
ATOM 4326 CD GLU B 201 27.104 65.696 4.491 1.00 66.96 B
ATOM 4327 OEl GLU B 201 27.888 65.607 3.521 1.00 66.62 B
ATOM 4328 OE2 GLU B 201 25.862 65.743 4.348 1.00 69.48 B
ATOM 4329 C GLU B 201 28.294 64.060 8.615 1.00 50.75 B
ATOM 4330 O GLU B 201 27.906 62.898 8.504 1.00 53.67 B
ATOM 4331 N PRO B 202 27.892 64.846 9.620 1.00 50.22 B
ATOM 4332 CD PRO B 202 28.291 66.241 9.845 1.00 52.42 B
ATOM 4333 CA PRO B 202 26.972 64.391 10.674 1.00 52.77 B
ATOM 4334 CB PRO B 202 26.980 65.549 11.675 1.00 54.71 B
ATOM 4335 CG PRO B 202 28.245 66.318 11.345 1.00 54.78 B
ATOM 4336 C PRO B 202 25.557 64.094 10.183 1.00 53.49 B
ATOM 4337 O PRO B 202 25.026 64.802 9.325 1.00 45.37 B
ATOM 4338 N GLU B 203 24.945 63.049 10.729 1.00 56.07 B
ATOM 4339 CA GLU B 203 23.582 62.711 10.340 1.00 60.85 B
ATOM 4340 CB GLU B 203 23.290 61.230 10.587 1.00 67.57 B
ATOM 4341 CG GLU B 203 23.878 60.317 9.524 1.00 80.62 B
ATOM 4342 CD GLU B 203 23.631 58.850 9.810 1.00 89.35 B
ATOM 4343 OEl GLU B 203 24.049 58.377 10.889 1.00 95.52 B
ATOM 4344 OE2 GLU B 203 23.023 58.169 8.955 1.00 92.37 B
ATOM 4345 C GLU B 203 22.630 63.575 11.145 1.00 57.18 B
ATOM 4346 O GLU B 203 22.830 63.782 12.339 1.00 56.78 B
ATOM 4347 N ARG B 204 21.598 64.085 10.484 1.00 53.13 B
ATOM 4348 CA ARG B 204 20.640 64.941 11.154 1.00 51.93 B
ATOM 4349 CB ARG B 204 20.629 66.316 10.487 1.00 55.69 B
ATOM 4350 CG ARG B 204 22.005 66.975 10.443 1.00 64.42 B
ATOM 4351 CD ARG B 204 22.630 67.083 11.840 1.00 66.02 B
ATOM 4352 NE ARG B 204 23.978 67.649 11.799 1.00 61.49 B
ATOM 4353 CZ ARG B 204 24.787 67.741 12.850 1.00 67.47 B
ATOM 4354 NHl ARG B 204 24.393 67.309 14.040 1.00 69.37 B
ATOM 4355 NH2 ARG B 204 26.001 68.253 12.708 1.00 72.80 B
ATOM 4356 C ARG B 204 19.230 64.369 11.193 1.00 49.78 B
ATOM 4357 O ARG B 204 18.684 63.929 10.183 1.00 50.20 B
ATOM 4358 N ALA B 205 18.646 64.393 12.381 1.00 45.78 B
ATOM 4359 CA ALA B 205 17.306 63.889 12.592 1.00 47.27 B
ATOM 4360 CB ALA B 205 17.101 63.630 14.079 1.00 46.75 B ATOM 4361 C ALA B 205 16.258 64.878 12.076 .00 47.40 B
ATOM 4362 O ALA B 205 15.460 65.403 12.853 .00 49.55 B
ATOM 4363 N ILE B 206 16.248 65.124 10.771 .00 46.20 B
ATOM 4364 CA ILE B 206 15.288 66.066 10.203 , 00 49.81 B
ATOM 4365 CB ILE B 206 15.702 66.492 8.767 , 00 48.69 B
ATOM 4366 CG2 ILE B 206 14.475 66.710 7.887 .00 51.32 B
ATOM 4367 CGl ILE B 206 16.509 67.787 8.836 .00 43.29 B
ATOM 4368 CDl ILE B 206 16.965 68.284 7.497 .00 55.77 B
ATOM 4369 C ILE B 206 13.833 65.598 10.191 .00 48.75 B
ATOM 4370 O ILE B 206 12.918 66.421 10.214 , 00 47.46 B
ATOM 4371 N ASP B 207 13.611 64.289 10.174 .00 51.08 B
ATOM 4372 CA ASP B 207 12.245 63.772 10.143 .00 58.65 B
ATOM 4373 CB ASP B 207 12.189 62.471 9.337 1.00 61.52 B
ATOM 4374 CG ASP B 207 12.450 62.692 7.854 00 69.67 B
ATOM 4375 ODl ASP B 207 11.902 63.663 7.287 00 67.16 B
ATOM 4376 OD2 ASP B 207 13.196 61.890 7.250 1.00 75.47 B
ATOM 4377 C ASP B 207 11.580 63.553 11.498 00 59.83 B
ATOM 4378 O ASP B 207 10.704 62.697 11.633 00 63.86 B
ATOM 4379 N LYS B 208 11.982 64.328 12.498 00 58.39
ATOM 4380 CA LYS B 208 11.397 64.204 13.823 00 52.13 B
ATOM 4381 CB LYS B 208 12.470 63.799 14.834 00 54.16 B
ATOM 4382 CG LYS B 208 12.980 62.381 14.644 1.00 61.31 B
ATOM 4383 CD LYS B 208 13.835 61.937 15.820 1.00 75.98 B
ATOM 4384 CE LYS B 208 14.084 60.430 15.792 00 84.45 B
ATOM 4385 NZ LYS B 208 12.816 59.647 15.933 00 88.22 B
ATOM 4386 C LYS B 208 10.751 65.518 14.240 00 52.16 B
ATOM 4387 O LXS B 208 10.923 66.550 13.577 00 51.01 B
ATOM 4388 N PRO B 209 9.972 65.499 15.332 00 48.46 B
ATOM 4389 CD PRO B 209 9.574 64.378 16.204 00 40.52 B
ATOM 4390 CA PRO B 209 9.340 66.748 15.764 00 46.20 B
ATOM 4391 CB PRO B 209 8.401 66.290 16.883 00 45.73 B
ATOM 4392 CG PRO B 209 9.124 65.094 17.453 00 42.70 B
ATOM 4393 C PRO B 209 10.404 67.739 16.241 00 43.34 B
ATOM 4394 O PRO B 209 11.347 67.372 16.940 00 42.89 B
ATOM 4395 N PHE B 210 10.245 68.995 15.847 00 40.77 B
ATOM 4396 CA PHE B 210 11.184 70.044 16.200 00 35.44 B
ATOM 4397 CB PHE B 210 10.653 71.396 15.719 00 37.85 B
ATOM 4398 CG PHE B 210 11.491 72.554 16.150 00 38.01 B
ATOM 4399 CDl PHE B 210 12.821 72.659 15.735 00 40.09 B
ATOM 4400 CD2 PHE B 210 10.974 73.523 17.001 00 40.59 B
ATOM 4401 CEl PHE B 210 13.629 73.717 16.168 1.00 35.91
ATOM 4402 CE2 PHE B 210 11.771 74.589 17.442 1.00 42.54
ATOM 4403 CZ PHE B 210 13.104 74.682 17.021 1.00 39.49
ATOM 4404 C PHE B 210 11.529 70.164 17.679 00 35.87
ATOM 4405 O PHE B 210 10.658 70.115 18.548 00 32.61
ATOM 4406 N LEU B 211 12.817 70.332 17.950 00 35.90 B
ATOM 4407 CA LEU B 211 13.307 70.533 19.307 00 35.47 B
ATOM 4408 CB LEU B 211 13.478 69.201 20.044 00 31.88 B
ATOM 4409 CG LEU B 211 13.805 69.371 21.538 00 38.05 B
ATOM 4410 CDl LEU B 211 13.383 68.138 22.305 00 42.88 B
ATOM 4411 CD2 LEU B 211 15.288 69.641 21.734 1.00 38.89 B
ATOM 4412 C LEU B 211 14.642 71.276 19.250 00 37.55 B
ATOM 4413 O LEU B 211 15.505 70.956 18.425 00 31.52 B
ATOM 4414 N LEU B 212 14.791 72.272 20.122 00 40.81 B
ATOM 4415 CA LEU B 212 16.008 73.082 20.209 00 37.41 B
ATOM 4416 CB LEU B 212 15.886 74.346 19.345 00 31.66 B
ATOM 4417 CG LEU B 212 16.972 75.427 19.510 00 38.92 B
ATOM 4418 CDl LEU B 212 17.194 76.183 18.204 1.00 33.65 B
ATOM 4419 CD2 LEU B 212 16.572 76.388 20.623 1.00 36.56 B ATOM 4420 C LEU B 212 16.284 73.491 21.651 00 40.35 B
ATOM 4421 O LED B 212 15.471 74.176 22.281 00 39.75 B
ATOM 4422 N PRO B 213 17.425 73.053 22.204 00 38.13 B
ATOM 4423 CD PRO B 213 18.378 72.055 21.685 00 42.15 B
ATOM 4424 CA PRO B 213 17.741 73.428 23.583 00 41.07 B
ATOM 4425 CB PRO B 213 18.753 72.362 24.008 00 42.99 B
ATOM 4426 CG PRO B 213 19.476 72.062 22.739 00 43.14 B
ATOM 4427 C PRO B 213 18.304 74.855 23.588 1.00 43.04 B
ATOM 4428 O PRO B 213 19.227 75.176 22.841 .00 39.82 B
ATOM 4429 N ILE B 214 17.721 75.702 24.428 .00 44.04 B
ATOM 4430 CA ILE B 214 18.099 77.101 24.533 .00 45.23 B
ATOM 4431 CB ILE B 214 16.942 77.905 25.165 .00 47.64 B
ATOM 4432 CG2 ILE B 214 17.311 79.380 25.244 .00 48.10 B
ATOM 4433 CGl ILE B 214 15.665 77.702 24.343 .00 42.80 B
ATOM 4434 CDl ILE B 214 14.414 78.224 25.005 .00 44.57 B
ATOM 4435 C ILE B 214 19.372 77.387 25.332 1.00 45.04 B
ATOM 4436 ■ O ILE B 214 19.508 76.954 26.478 1.00 41.16 B
ATOM 4437 N GLU B 215 20.292 78.127 24.719 1.00 43.41 B
ATOM 4438 CA GLU B 215 21.534 78.515 25.381 1.00 49.59 B
ATOM 4439 CB GLU B 215 22.739 78.314 24.462 1.00 50.72 B
ATOM 4440 CG GLU B 215 22.753 76.996 23.722 1.00 56.45 B
ATOM 4441 CD GLU B 215 24.049 76.768 22.983 1.00 54.56 B
ATOM 4442 OEl GLU B 215 24.086 75.854 22.132 1.00 56.46 B
ATOM 4443 OE2 GLU B 215 25.031 77.495 23.263 1.00 58.36 B
ATOM 4444 C GLU B 215 21.433 79.998 25.736 00 53.58 B
ATOM 4445 O GLU B 215 21.244 80.366 26.895 00 53.23 B
ATOM 4446 N ASP B 216 21.552 80.848 24.722 00 61.97 B
ATOM 4447 CA ASP B 216 21.486 82.295 24.912 00 65.41 B
ATOM 4448 CB ASP B 216 22.521 82.987 24.020 00 70.54 B
ATOM 4449 CG ASP B 216 23.936 82.848 24.549 00 75.23 B
ATOM 4450 ODl ASP B 216 24.873 82.803 23.723 00 80.26 B
ATOM 4451 OD2 ASP B 216 24.111 82.799 25.788 00 76.31 B
ATOM 4452 C ASP B 216 20.108 82.856 24.613 00 63.86 B
ATOM 4453 O ASP B 216 19.402 82.362 23.737 00 65.55 B
ATOM 4454 N VAL B 217 19.739 83.903 25.341 00 65.65 B
ATOM 4455 CA VAL B 217 18.449 84.552 25.163 00 68.36
ATOM 4456 CB VAL B 217 17.453 84.110 26.251 00 68.07 B
ATOM 4457 CGl VAL B 217 16.151 84.908 26.139 00 66.83 B
ATOM 4458 CG2 VAL B 217 17.184 82.625 26.124 00 71.04 B
ATOM 4459 C VAL B 217 18.555 86.071 25.222 00 73.03 B
ATOM 4460 O VAL B 217 18.586 86.649 26.309 1.00 73.74 B
ATOM 4461 N PHE B 218 18.618 86.725 24.066 1.00 75.64 B
ATOM 4462 CA PHE B 218 18.678 88.177 24.064 00 77.09 B
ATOM 4463 CB PHE B 218 19.823 88.688 23.163 00 79.48 B
ATOM 4464 CG PHE B 218 19.735 88.269 21.711 00 86.38 B
ATOM 4465 CDl PHE B 218 18.811 88.858 20.848 1.00 88.03 B
ATOM 4466 CD2 PHE B 218 20.639 87.344 21.187 1.00 87.33 B
ATOM 4467 CEl PHE B 218 18.796 88.537 19.482 1.00 86.59 B
ATOM 4468 CE2 PHE B 218 20.630 87.018 19.825 00 88.67 B
ATOM 4469 CZ PHE B 218 19.707 87.618 18.973 00 85.86 B
ATOM 4470 C PHE B 218 17.315 88.766 23.683 00 76.04 B
ATOM 4471 O PHE B 218 16.370 88.026 23.399 00 74.50 B
ATOM 4472 N SER B 219 17.199 90.090 23.702 00 75.29 B
ATOM 4473 CA SER B 219 15.926 90.735 23.393 00 70.71 B
ATOM 4474 CB SER B 219 15.425 91.467 24.636 00 63.60 B
ATOM 4475 OG SER B 219 14.128 91.970 24.428 00 64.33 B
ATOM 4476 C SER B 219 15.983 91.703 22.208 00 67.65 B
ATOM 4477 O SER B 219 17.018 92.311 21.944 00 69.18 B
ATOM 4478 N ILE B 220 14.865 91.829 21.495 1.00 63.44 B ATOM 4479 CA ILE B 220 14.762 92.723 20.334 00 58.67 B
ATOM 4480 CB ILE B 220 14.596 91.938 19.022 00 55.63 B
ATOM 4481 CG2 ILE B 220 14.281 92.900 17.882 .00 56.19 B
ATOM 4482 CGl ILE B 220 15.870 91.144 18.726 00 58.00 B
ATOM 4483 CDl ILE B 220 15.893 90.475 17.356 00 56.66 B
ATOM 4484 C ILE B 220 13.573 93.672 20.478 00 53.04 B
ATOM 4485 O ILE B 220 12.421 93.261 20.388 00 52.76 B
ATOM 4486 N SER B 221 13.869 94.945 20.697 00 49.43 B
ATOM 4487 CA SER B 221 12.846 95.967 20.884 00 45.57 B
ATOM 4488 CB SER B 221 13.524 97.321 21.057 00 44.34 B
ATOM 4489 OG SER B 221 14.431 97.271 22.144 , 00 52.67 B
ATOM 4490 C SER B 221 11.824 96.048 19.759 00 43.53 B
ATOM 4491 O SER B 221 12.193 96.107 18.587 1.00 42.13 B
ATOM 4492 N GLY B 222 10.542 96.056 20.125 .00 43.55 B
ATOM 4493 CA GLY B 222 9.483 96.141 19.134 .00 48.16 B
ATOM 4494 C GLY B 222 9.146 94.815 18.473 1.00 54.82 B
ATOM 4495 O GLY B 222 7.984 94.546 18.157 .00 48.11
ATOM 4496 N ARG B 223 10.161 93.985 18.253 .00 59.99 B
ATOM 4497 CA ARG B 223 9.963 92.681 17.629 .00 66.26 B
ATOM 4498 CB ARG B 223 11.161 92.324 16.747 .00 70.83 B
ATOM 4499 CG ARG B 223 10.908 92.404 15.241 .00 81.92 B
ATOM 4500 CD ARG B 223 10.989 93.822 14.700 .00 83.20 B
ATOM 4501 NE ARG B 223 9.900 94.673 15.168 .00 92.80 B
ATOM 4502 CZ ARG B 223 8.612 94.469 14.902 1.00 96.01 B
ATOM 4503 NHl ARG B 223 8.231 93.430 14.166 00 97.11 B
ATOM 4504 NH2 ARG B 223 7.702 95.318 15.363 00 95.54 B
ATOM , 4505 C ARG B 223 9.779 91.611 18.703 00 67.68 B
ATOM 4506 O ARG B 223 8.774 90.897 18.714 00 63.64 B
ATOM 4507 N GLY B 224 10.757 91.491 19.600 00 73.67 B
ATOM 4508 CA GLY B 224 10.626 90.505 20.657 00 71.66 B
ATOM 4509 C GLY B 224 11.904 89.863 21.148 00 71.27 B
ATOM 4510 O GLY B 224 12.980 90.463 21.107 00 72.24 B
ATOM 4511 N THR B 225 11.784 88.623 21.611 00 66.72 B
ATOM 4512 CA THR B 225 12.937 87.902 22.137 00 65.81 B
ATOM 4513 CB THR B 225 12.592 87.231 23.477 00 67.73 B
ATOM 4514 OGl THR B 225 11.920 88.173 24.321 00 66.66 B
ATOM 4515 CG2 THR B 225 13.861 86.754 24.176 1.00 69.11 B
ATOM 4516 C THR B 225 13.472 86.831 21.195 00 59.93 B
ATOM ' 4517 O THR B 225 12.710 86.160 20.502 00 58.97 B
ATOM 4518 N VAL B 226 14.791 86.675 21.179 00 56.33 B
ATOM 4519 CA VAL B 226 15.435 85.675 20.342 00 49.61 B
ATOM 4520 CB VAL B 226 16.391 86.315 19.336 1.00 50.40 B
ATOM 4521 CGl VAL B 226 17.144 85.231 18.571 .00 50.52 B
ATOM 4522 CG2 VAL B 226 15.616 87.199 18.380 .00 53.67 B
ATOM 4523 C VAL B 226 16.247 84.705 21.191 .00 55.30 B
ATOM 4524 O VAL B 226 17.095 85.119 21.980 .00 60.48 B
ATOM 4525 N VAL B 227 15.978 83.412 21.038 .00 53.16 B
ATOM 4526 CA VAL B 227 16.717 82.391 21.768 .00 43.34 B
ATOM 4527 CB VAL B 227 15.773 81.361 22.387 .00 45.57 B
ATOM 4528 CGl VAL B 227 14.851 82.041 23.370 .00 43.24 B
ATOM 4529 CG2 VAL B 227 14.968 80.669 21.299 1.00 38.99 B
ATOM 4530 C VAL B 227 17.630 81.698 20.764 00 46.75 B
ATOM 4531 O VAL B 227 17.256 81.524 19.601 00 48.24 B
ATOM 4532 N THR B 228 18.831 81.323 21.191 00 44.29 B
ATOM 4533 CA THR B 228 19.749 80.648 20.284 00 45.82 B
ATOM 4534 CB THR B 228 21.078 81.428 20.126 00 49.10 B
ATOM 4535 OGl THR B 228 21.802 81.417 21.363 00 51.58 B
ATOM 4536 CG2 THR B 228 20.797 82.870 19.719 00 48.77 B
ATOM 4537 C THR B 228 20.056 79.238 20.769 1.00 48.04 B ATOM 4538 O THR B 228 19.753 78.875 21.909 1.00 45.26 B
ATOM 4539 N GLY B 229 20.657 78.452 19.883 1.00 49.86 B
ATOM 4540 CA GLY B 229 21.018 77.089 20.202 1.00 45.29 B
ATOM 4541 C GLY B 229 21.155 76.312 18.915 1.00 49.15 B
ATOM 4542 O GLY B 229 20.986 76.876 17.831 1.00 46.51 B
ATOM 4543 N ARG B 230 21.478 75.026 19.024 1.00 47.20 B
ATOM 4544 CA ARG B 230 21.598 74.185 17.850 1.00 48.62 B
ATOM 4545 CB ARG B 230 22.797 73.233 17.977 1.00 49.75 B
ATOM 4546 CG ARG B 230 23.230 72.639 16.641 1.00 52.33 B
ATOM 4547 CD ARG B 230 24.360 71.628 16.761 1.00 59.13 B
ATOM 4548 NE ARG B 230 24.983 71.377 15.457 1.00 65.30 B
ATOM 4549 CZ ARG B 230 25.898 70.439 15.208 1.00 65.34 B
ATOM 4550 NHl ARG B 230 26.325 69.623 16.170 1.00 61.98 B
ATOM 4551 NH2 ARG B 230 26.401 70.326 13.986 1.00 65.20 B
ATOM 4552 C ARG B 230 20.293 73.391 17.791 1.00 50.21 B
ATOM 4553 O ARG B 230 19.795 72.934 18.823 1.00 55.79 B
ATOM 4554 N VAL B 231 19.722 73.254 16.598 1.00 44.79 B
ATOM 4555 CA VAL B 231 18.483 72.497 16.445 1.00 39.17 B
ATOM 4556 CB VAL B 231 17.831 72.724 15.054 1.00 40.01 B
ATOM 4557 CGl VAL B 231 16.542 71.946 14.963 1.00 33.75 B
ATOM 4558 CG2 VAL B 231 17.568 74.205 14.819 1.00 38.80 B
ATOM 4559 C VAL B 231 18.830 71.021 16.581 1.00 36.77 B
ATOM 4560 O VAL B 231 19.488 70.444 15.712 1.00 35.19 B
ATOM 4561 N GLU B 232 18.390 70.405 17.669 1.00 36.67 B
ATOM 4562 CA GLU B 232 18.686 68.998 17.895 1.00 36.57 B
ATOM 4563 CB GLU B 232 18.183 68.580 19.273 1.00 42.70 B
ATOM 4564 CG GLU B 232 18.726 67.250 19.754 1.00 44.47 B
ATOM 4565 CD GLU B 232 18.208 66.885 21.123 1.00 45.37 B
ATOM 4566 OEl GLU B 232 17.332 66.004 21.195 1.00 52.02 B
ATOM 4567 OE2 GLU B 232 18.660 67.487 22.127 1.00 47.16 B
ATOM 4568 C GLU B 232 18.051 68.120 16.825 1.00 39.95 B
ATOM 4569 O GLU B 232 18.677 67.185 16.320 1.00 43.05 B
ATOM 4570 N ARG B 233 16.807 68.430 16.470 1.00 43.11 B
ATOM 4571 CA ARG B 233 16.087 67.655 15.465 1.00 41.77 B
ATOM 4572 CB ARG B 233 15.573 66.346 16.080 1.00 39.55 B
ATOM 4573 CG ARG B 233 14.777 66.524 17.380 1.00 43.98 B
ATOM 4574 CD ARG B 233 14.016 65.255 17.705 1.00 42.12 B
ATOM 4575 NE ARG B 233 13.983 64.925 19.126 1.00 49.75 B
ATOM 4576 CZ ARG B 233 12.978 65.212 19.944 1.00 41.15 B
ATOM 4577 NHl ARG B 233 13.041 64.866 21.218 1.00 45.43 B
ATOM 4578 NH2 ARG B 233 11.914 65.848 19.490 1.00 50.72 B
ATOM 4579 ' C ARG B 233 14.909 68.420 14.880 1.00 39.44 B
ATOM 4580 O ARG B 233 14.431 69.388 15.469 1.00 43.92 B
ATOM 4581 N GLY B 234 14.447 67.976 13.718 1.00 36.23 B
ATOM 4582 CA GLY B 234 13.308 68.605 13.076 1.00 40.20 B
ATOM 4583 C GLY B 234 13.562 69.909 12.339 1.00 41.57 B
ATOM 4584 O GLY B 234 14.685 70.228 11.944 1.00 38.69 B
ATOM 4585 N ILE B 235 12.493 70.674 12.159 1.00 43.04 B
ATOM 4586 CA ILE B 235 12.567 71.944 11.462 1.00 43.51 B
ATOM 4587 CB ILE B 235 12.223 71.780 9.961 1.00 48.11 B
ATOM 4588 CG2 ILE B 235 12.229 73.148 9.274 1.00 50.72 B
ATOM 4589 CGl ILE B 235 13.219 70.834 9.286 1.00 41.31 B
ATOM 4590 CDl ILE B 235 12.887 70.546 7.817 1.00 38.16 B
ATOM 4591 C ILE B 235 11.582 72.933 12.057 1.00 44.88 B
ATOM 4592 O ILE B 235 10.434 72.592 12.342 1.00 48.32 B
ATOM 4593 N ILE B 236 12.039 74.160 12.253 1.00 44.66 B
ATOM 4594 CA ILE B 236 11.175 75.199 12.780 1.00 42.98 B
ATOM 4595 CB ILE B 236 11.781 75.863 14.041 1.00 43.04 B
ATOM 4596 CG2 ILE B 236 13.192 76.372 13.753 1.00 41.61 B ATOM 4597 CGl ILE B 236 10.868 76.990 14.519 .00 40.15 B
ATOM 4598 CDl ILE B 236 9.480 76.519 14.912 00 41.58 B
ATOM 4599 C ILE B 236 11.048 76.219 11.660 00 45.68 B
ATOM 4600 O ILE B 236 12.054 76.763 11.198 00 47.03 B
ATOM 4601 N LYS B 237 9.819 76.456 11.208 .00 46.27 B
ATOM 4602 CA LYS B 237 9.575 77.406 10.129 00 45.76 B
ATOM 4603 CB LYS B 237 8.745 76.751 9.025 00 47.35 B
ATOM 4604 CG LYS B 237 9.377 75.488 8.465 00 54.06 B
ATOM 4605 CD LYS B 237 8.659 74.978 7.229 00 56.88 B
ATOM 4606 CE LYS B 237 7.224 74.594 7.528 00 64.35 B
ATOM 4607 NZ LYS B 237 6.543 74.020 6.330 .00 72.16
ATOM 4608 C LYS B 237 8.860 78.642 10.633 .00 45.95
ATOM 4609 O LYS B 237 8.059 78.564 11.567 .00 46.38
ATOM 4610 N VAL B 238 9.162 79.784 10.018 .00 47.91 B
ATOM 4611 CA VAL B 238 8.537 81.050 10.395 .00 50.05 B
ATOM 4612 CB VAL B 238 8.994 82.205 9.465 00 50.55 B
ATOM 4613 CGl VAL B 238 8.228 83.472 9.794 .00 48.41 B
ATOM 4614 CG2 VAL B 238 10.494 82.443 9.621 .00 39.86 B
ATOM 4615 C VAL B 238 7.018 80.899 10.304 .00 53.41 B
ATOM 4616 O VAL B 238 6.492 80.399 9.310 00 54.86 B
ATOM 4617 N GLY B 239 6.320 81.316 11.355 .00 54.59 B
ATOM 4618 CA GLY B 239 4.872 81.206 11.373 .00 53.14 B
ATOM 4619 C GLY B 239 4.367 80.059 12.231 .00 54.51 B
ATOM 4620 O GLY B 239 3.234 80.092 12.700 .00 55.18 B
ATOM 4621 N GLU B 240 5.198 79.037 12.428 , 00 56.29 B
ATOM 4622 CA GLU B 240 4.818 77.886 13.247 .00 56.17 B
ATOM 4623 CB GLU B 240 5.752 76.708 12.984 , 00 53.47 B
ATOM 4624 CG GLU B 240 5.550 76.039 11.646 1.00 56.85 B
ATOM 4625 CD GLU B 240 6.478 74.859 11.457 00 61.95 B
ATOM 4626 OEl GLU B 240 6.260 74.061 10.517 00 60.84 B
ATOM 4627 OE2 GLU B 240 432 74.736 12.252 00 58.81
ATOM 4628 C GLU B 240 853 78.215 14.734 00 57.25 B
ATOM 4629 O GLU B 240 658 79.036 15.186 00 59.87 B
ATOM 4630 N GLU B 241 981 77.574 15.498 00 55.04 B
ATOM 4631 CA GLU B 241 948 77.822 16.928 00 56.16 B
ATOM 4632 CB GLU B 241 2.514 77.737 17.458 00 62.21 B
ATOM 4633 CG GLU B 241 1.883 76.360 17.362 1.00 70.73 B
ATOM 4634 CD GLU B 241 0.466 76.323 17.924 1.00 76.89 B
ATOM 4635 OEl GLU B 241 -0.131 75.223 17.957 1.00 77.83 B
ATOM 4636 OE2 GLU B 241 -0.049 77.391 18.328 00 76.62 B
ATOM 4637 C GLU B 241 4.837 76.809 17.638 00 56.42 B
ATOM 4638 O GLU B 241 5.112 75.727 17.108 00 55.21 B
ATOM 4639 N VAL B 242 5.291 77.166 18.834 00 50.85 B
ATOM 4640 CA VAL B 242 6.160 76.297 19.612 00 49.89 B
ATOM 4641 CB VAL B 242 7.653 76.685 19.441 00 45.93 B
ATOM 4642 CGl VAL B 242 8.078 76.543 17.991 00 43.42 B
ATOM 4643 CG2 VAL B 242 7.867 78.114 19.904 00 50.26 B
ATOM 4644 C VAL B 242 5.842 76.389 21.095 00 50.03 B
ATOM 4645 O VAL B 242 5.081 77.256 21.530 00 50.37 B
ATOM 4646 N GLU B 243 6.427 75.476 21.864 00 49.83 B
ATOM 4647 CA GLU B 243 6.267 75.469 23.312 00 48.84 B
ATOM 4648 CB GLU B 243 5.669 74.152 23.798 00 48.91 B
ATOM 4649 CG GLU B 243 4.229 73.908 23.391 00 53.13 B
ATOM 4650 CD GLU B 243 3.638 72.672 24.065 1.00 59.10 B
ATOM 4651 OEl GLU B 243 4.275 71.593 24.032 1.00 57.07 B
ATOM 4652 OE2 GLU B 243 2.530 72.776 24.629 1.00 58.74 B
ATOM 4653 C GLU B 243 7.647 75.632 23.930 1.00 46.17 B
ATOM 4654 O GLU B 243 8.639 75.190 23.356 1.00 49.73 B
ATOM 4655 N ILE B 244 7.706 76.291 25.082 1.00 45.60 B ATOM 4656 CA ILE B 244 8.954 76.479 25.810 .00 44.77 B
ATOM 4657 CB ILE B 244 9.136 77.941 26.313 .00 44.54 B
ATOM 4658 CG2 ILE B 244 10.439 78.066 27.097 .00 36.98 B
ATOM 4659 CGl ILE B 244 9.161 78.919 25.136 .00 44.72 B
ATOM 4660 CDl ILE B 244 7.807 79.194 24.537 .00 45.37 B
ATOM 4661 C ILE B 244 8.757 75.552 27.004 .00 45.98 B
ATOM 4662 O ILE B 244 8.001 75.868 27.922 .00 46.27 B
ATOM 4663 N VAL B 245 9.431 74.406 26.988 .00 46.78 B
ATOM 4664 CA VAL B 245 9.275 73.414 28.051 .00 41.20 B
ATOM 4665 CB VAL B 245 8.951 72.039 27.431 .00 37.65 B
ATOM 4666 CGl VAL B 245 8.680 71.011 28.517 1.00 37.82 B
ATOM 4667 CG2 VAL B 245 7.764 72.169 26.508 00 37.71 B
ATOM 4668 C VAL B 245 10.471 73.252 28.988 00 40.84 B
ATOM 4669 O VAL B 245 11.621 73.230 28.540 00 38.39 B
ATOM 4670 N GLY B 246 10.180 73.130 30.286 00 41.54 B
ATOM 4671 CA GLY B 246 11.227 72.947 31.278 00 46.65 B
ATOM 4672 C GLY B 246 11.471 74.085 32.257 00 53.07 B
ATOM 4673 O GLY B 246 11.317 75.262 31.917 00 52.47 B
ATOM 4674 N ILE B 247 11.863 73.714 33.479 00 55.00 B
ATOM 4675 CA ILE B 247 12.168 74.654 34.559 00 53.98 B
ATOM 4676 CB ILE B 247 13.270 75.657 34.138 00 55.36 B
ATOM 4677 CG2 ILE B 247 13.721 76.467 35.353 00 53.21 B
ATOM 4678 CGl ILE B 247 14.455 74.901 33.523 00 48.88 B
ATOM 4679 CDl ILE B 247 15.574 75.789 33.021 00 45.36 B
ATOM 4680 C ILE B 247 10.946 75.430 35.036 1.00 55.52 B
ATOM 4681 O ILE B 247 10.478 75.230 36.156 1. 00 54.12 B
ATOM 4682 N LYS B 248 10.442 76.325 34.193 1.00 57.48 B
ATOM 4683 CA LYS B 248 9.263 77.115 34.536 1.00 61.98 B
ATOM 4684 CB LYS B 248 9.346 78.514 33.906 1.00 61.37 B
ATOM 4685 CG LYS B 248 10.414 79.421 34.496 1.00 67.25 B
ATOM 4686 CD LYS B 248 10.678 80.625 33.593 1.00 70.35 B
ATOM 4687 CE LYS B 248 11.818 81.480 34.138 00 74.50 B
ATOM 4688 NZ LYS B 248 12.370 82.439 33.137 00 72.58 B
ATOM 4689 C LYS B 248 8.041 76.387 33.988 00 62.68 B
ATOM 4690 O LYS B 248 8.157 75.300 33.431 1.00 59.14 B
ATOM 4691 N GLU B 249 6.871 76.991 34.144 00 66.21 B
ATOM 4692 CA GLU B 249 5.643 76.396 33.635 00 67.81 B
ATOM 4693 CB GLU B 249 4.433 77.103 34.239 00 74.15 B
ATOM 4694 CG GLU B 249 3.102 76.472 33.893 1.00 81.70 B
ATOM 4695 CD GLU B 249 1.942 77.187 34.558 00 87.53 B
ATOM 4696 OEl GLU B 249 1.975 77.344 35.801 00 91.40 B
ATOM 4697 OE2 GLU B 249 1.000 77.590 33.842 00 85.72 B
ATOM 4698 C GLU B 249 5.631 76.542 32.113 00 65.49 B
ATOM 4699 O GLU B 249 5.982 77.594 31.579 00 67.46 B
ATOM 4700 N THR B 250 5.227 75.485 31.421 00 61.38 B
ATOM 4701 CA THR B 250 5.191 75.485 29.962 00 59.17 B
ATOM 4702 CB THR B 250 4.567 74.172 29.430 00 56.52 B
ATOM 4703 OGl THR B 250 5.360 73.058 29.859 00 58.18 B
ATOM 4704 CG2 THR B 250 4.502 74.185 27.912 00 55.13 B
ATOM 4705 C THR B 250 4.433 76.669 29.361 00 57.56 B
ATOM 4706 O THR B 250 3.287 76.941 29.724 00 54.60 B
ATOM 4707 N GLN B 251 5.087 77.369 28.439 1.00 56.18 B
ATOM 4708 CA GLN B 251 4.485 78.515 27.766 1.00 55.46 B
ATOM 4709 CB GLN B 251 5.362 79.760 27.895 1.00 60.14 B
ATOM 4710 CG GLN B 251 5.684 80.206 29.308 1.00 71.70
ATOM 4711 CD GLN B 251 6.528 81.470 29.315 1.00 78.69 B
ATOM 4712 OEl GLN B 251 6.046 82.552 28.967 .00 85.95 B
ATOM 4713 NE2 GLN B 251 7.797 81.337 29.692 .00 81.25 B
ATOM 4714 C GLN B 251 4.343 78.186 26.287 1.00 55.95 B ATOM 4715 O GLN B 251 4.906 77.209 25.793 1.00 53.83 B
ATOM 4716 ISl LYS B 252 3.600 79.017 25.573 1.00 55.22 B
ATOM 4717 CA LYS B 252 3.406 78.797 24.156 1.00 56.23 B
ATOM 4718 CB LYS B 252 1.965 78.352 23.903 1.00 57.90 B
ATOM 4719 CG LYS B 252 1.777 77.586 22.609 1.00 71.79 B
ATOM 4720 CD LYS B 252 0.396 76.962 22.545 1.00 78.16 B
ATOM 4721 CE LYS B 252 0.252 76.052 21.333 1.00 84.50 B
ATOM 4722 NZ LYS B 252 -1.080 75.365 21.305 1.00 86.37 B
ATOM 4723 C LYS B 252 3.718 80.099 23.429 1.00 53.48 B
ATOM 4724 O LYS B 252 3.521 81.184 23.982 1.00 54.95 B
ATOM 4725 N SER B 253 4.224 79.993 22.202 1.00 51.68 B
ATOM 4726 CA SER B 253 4.562 81.173 21.415 1.00 50.47 B
ATOM 4727 CB SER B 253 5.933 81.720 21.828 1.00 49.04 B
ATOM 4728 OG SER B 253 6.256 82.904 21.117 1.00 55.08 B
ATOM 4729 C SER B 253 4.570 80.825 19.938 1.00 50.11 B
ATOM 4730 O SER B 253 4.254 79.698 19.563 1.00 48.52 B
ATOM 4731 N THR B 254 4.934 81.800 19.109 1.00 52.92 B
ATOM 4732 CA THR B 254 4.985 81.613 17.664 1.00 53.72 B
ATOM 4733 CB THR B 254 3.863 82.406 16.964 1.00 57.40 B
ATOM 4734 OGl THR B 254 2.587 81.908 17.395 1.00 61.14 B
ATOM 4735 CG2 THR B 254 3.980 82.282 15.441 1.00 50.63 B
ATOM 4736 C THR B 254 6.315 82.098 17.116 1.00 51.56 B
ATOM 4737 O THR B 254 6.796 83.158 17.501 1.00 54.99 B
ATOM 4738 N CYS B 255 6.904 81.324 16.211 1.00 49.89 B
ATOM 4739 CA CYS B 255 8.176 81.709 15.621 1.00 51.40 B
ATOM 4740 CB CYS B 255 8.854 80.508 14.971 1.00 38.66 B
ATOM 4741 SG CYS B 255 10.208 81.011 13.930 1.00 43.77 B
ATOM 4742 C CYS B 255 7.960 82.801 14.581 1.00 52.70 B
ATOM 4743 O CYS B 255 7.298 82.587 13.571 1.00 49.90 B
ATOM 4744 N THR B 256 8.532 83.970 14.840 1.00 54.14 B
ATOM 4745 CA THR B 256 8.405 85.117 13.952 1.00 54.71 B
ATOM 4746 CB THR B 256 8.198 86.396 14.787 1.00 50.46 B
ATOM 4747 OGl THR B 256 6.901 86.351 15.379 1.00 53.45 B
ATOM 4748 CG2 THR B 256 8.316 87.642 13.941 1.00 62.67 B
ATOM 4749 C THR B 256 9.615 85.284 13.033 1.00 55.40 B
ATOM 4750 O THR B 256 9.608 86.132 12.140 1.00 55.95 B
ATOM 4751 N GLY B 257 10.649 84.475 13.245 1.00 53.19 B
ATOM 4752 CA GLY B 257 11.831 84.580 12.408 1.00 46.98 B
ATOM 4753 C GLY B 257 12.968 83.682 12.833 1.00 47.22 B
ATOM 4754 O GLY B 257 13.018 83.228 13.970 1.00 52.59 B
ATOM 4755 N VAL B 258 13.887 83.434 11.907 1.00 50.07 B
ATOM 4756 CA VAL B 258 15.045 82.590 12.160 1.00 51.29 B
ATOM 4757 CB VAL B 258 14.854 81.195 11.530 1.00 52.08 B
ATOM 4758 CGl VAL B 258 16.074 80.337 11.776 1.00 45.37 B
ATOM 4759 CG2 VAL B 258 13.610 80.539 12.101 1.00 50.82 B
ATOM 4760 C VAL B 258 16.268 83.248 11.537 1.00 56.80 B
ATOM 4761 O VAL B 258 16.211 83.710 10.398 1.00 59.15 B
ATOM 4762 N GLU B 259 17.372 83.287 12.280 1.00 61.95 B
ATOM 4763 CA GLU B 259 18.606 83.898 11.785 1.00 66.01 B
ATOM 4764 CB GLU B 259 18.820 85.265 12.434 1.00 63.38 B
ATOM 4765 CG GLU B 259 18.913 85.201 13.943 1.00 69.45 B
ATOM 4766 CD GLU B 259 19.385 86.502 14.557 1.00 74.09 B
ATOM 4767 OEl GLU B 259 20.576 86.834 14.401 1.00 81.71 B
ATOM 4768 OE2 GLU B 259 18.565 87.195 15.195 1.00 75.81 B
ATOM 4769 C GLU B 259 19.859 83.055 12.018 1.00 65.40 B
ATOM 4770 O GLU B 259 19.855 82.086 12.777 1.00 66.47 B
ATOM 4771 N MET B 260 20.935 83.459 11.358 1.00 69.48 B
ATOM 4772 CA MET B 260 22.224 82.796 11.453 1.00 69.48 B
ATOM 4773 CB MET B 260 22.360 81.803 10.299 1.00 73.24 B ATOM 4774 CG MET B 260 23.110 80.523 10.635 1.00 77.67 B
ATOM 4775 SD MET B 260 22.578 79.145 9.576 1.00 85.41 B
ATOM 4776 CE MET B 260 23.449 79.508 8.041 1.00 79.37 B
ATOM 4777 C MET B 260 23.226 83.943 11.329 1.00 69.90 B
ATOM 4778 O MET B 260 22.830 85.065 11.016 1.00 67.45 B
ATOM 4779 N PHE B 261 24.506 83.691 11.582 1.00 72.88 B
ATOM 4780 CA PHE B 261 25.491 84.765 11.486 1.00 76.70 B
ATOM 4781 CB PHE B 261 26.919 84.239 11.663 1.00 79.59 B
ATOM 4782 CG PHE B 261 27.973 85.308 11.517 1.00 84.71 B
ATOM 4783 CDl PHE B 261 27.933 86.456 12.310 1.00 86.21 B
ATOM 4784 CD2 PHE B 261 28.990 85.185 10.572 1.00 88.19 B
ATOM 4785 CEl PHE B 261 28.889 87.466 12.162 1.00 87.09 B
ATOM 4786 CE2 PHE B 261 29.953 86.191 10.415 1.00 86.94 B
ATOM 4787 CZ PHE B 261 29.901 87.332 11.212 1.00 86.90 B
ATOM 4788 C PHE B 261 25.401 85.527 10.165 1.00 80.80 B
ATOM 4789 O PHE B 261 25.694 84.993 9.087 1.00 75.84 B
ATOM 4790 N ARG B 262 24.995 86.788 10.274 1.00 83.91 B
ATOM 4791 CA ARG B 262 24.847 87.686 9.132 1.00 86.59 B
ATOM 4792 CB ARG B 262 26.221 88.033 8.536 1.00 92.70 B
ATOM 4793 CG ARG B 262 27.184 88.735 9.501 1.00100.06 B
ATOM 4794 CD ARG B 262 26.496 89.811 10.354 1.00105.96 B
ATOM 4795 NE ARG B 262 25.727 90.770 9.559 1.00112.37 B
ATOM 4796 CZ ARG B 262 25.009 91.769 10.072 1.00112.76 B
ATOM . 4797 NHl ARG B 262 24.958 91.951 11.387 1.00111.99 B
ATOM 4798 NH2 ARG B 262 24.334 92.584 9.270 1.00111.00 B
ATOM 4799 C ARG B 262 23.918 87.189 8.022 1.00 83.33 B
ATOM 4800 O ARG B 262 24.249 87.284 6.840 1.00 81.48 B
ATOM 4801 N LYS B 263 22.761 86.651 8.404 1.00 77.86 B
ATOM 4802 CA LYS B 263 21.782 86.201 7.427 1.00 73.37 B
ATOM 4803 CB LYS B 263 22.316 85.035 6.589 1.00 75.06 B
ATOM 4804 CG LYS B 263 22.450 83.718 7.300 1.00 79.38 B
ATOM 4805 CD LYS B 263 22.427 82.577 6.283 1.00 87.88 B
ATOM 4806 CE LYS B 263 23.487 82.739 5.191 1.00 91.02 B
ATOM 4807 NZ LYS B 263 23.394 81.672 4.145 1.00 90.23 B
ATOM 4808 C LYS B 263 20.436 85.831 8.033 1.00 70.53 B
ATOM 4809 O LYS B 263 20.335 85.478 9.209 1.00 66.54 B
ATOM 4810 N LEU B 264 19.398 85.938 7.209 1.00 67.11 B
ATOM 4811 CA LEU B 264 18.042 85.636 7.632 1.00 65.24 B
ATOM 4812 CB LEU B 264 17.135 86.847 7.417 1.00 65.45 B
ATOM 4813 CG LEU B 264 17.430 88.094 8.253 1.00 69.68 B
ATOM 4814 CDl LEU B 264 18.805 88.662 7.911 1.00 74.07 B
ATOM 4815 CD2 LEU B 264 16.349 89.129 7.978 1.00 73.24 B
ATOM 4816 C LEU B 264 17.506 84.448 6.855 1.00 64.12 B
ATOM 4817 O LEU B 264 17.761 84.303 5.660 1.00 61.72 B
ATOM 4818 N LEU B 265 16.754 83.602 7.545 1.00 62.84 B
ATOM 4819 CA LEU B 265 16.201 82.409 6.931 1.00 62.38 B
ATOM 4820 CB LEU B 265 16.922 81.180 484 1.00 64.63 B
ATOM 4821 CG LEU B 265 18.440 81.177 7.296 1.00 66.39 B
ATOM 4822 CDl LEU B 265 19.076 80.103 8.164 1.00 70.18 B
ATOM 4823 CD2 LEU B 265 18.760 80.953 5.833 1.00 64.28 B
ATOM 4824 C LEU B 265 14.712 82.295 7.204 1.00 59.00 B
ATOM 4825 O LEU B 265 14.143 83.095 7.946 1.00 57.49 B
ATOM 4826 N ASP B 266 14.087 81.294 6.596 1.00 56.50 B
ATOM 4827 CA ASP B 266 12.668 81.048 6. .780 1.00 57.83 B
ATOM 4828 CB ASP B 266 11.985 80.865 5.424 1.00 63.07 B
ATOM 4829 CG ASP B 266 12.070 82.109 4.555 1.00 73.34 B
ATOM 4830 ODl ASP B 266 11.493 83.148 4.948 1.00 77.58 B
ATOM 4831 OD2 ASP B 266 12.713 82.050 3.483 1.00 72.44 B
ATOM 4832 C ASP B 266 12.489 79.783 7.613 1.00 59.34 B ATOM 4833 O ASP B 266 11.383 79.482 8.067 1.00 60.59
ATOM 4834 N GLU B 267 13.588 79.052 7.809 1.00 58.45
ATOM 4835 CA GLU B 267 13.578 77.798 8.562 1.00 54.04
ATOM 4836 CB GLU B 267 13.438 76.600 7.623 1.00 54.68
ATOM 4837 CG GLU B 267 12.270 76.610 6.677 1.00 61.27 B
ATOM 4838 CD GLU B 267 12.304 75.417 5.740 1.00 60.43 B
ATOM 4839 OEl GLU B 267 11.338 75.240 4.968 1.00 60.24 B
ATOM 4840 OE2 GLU B 267 13.304 74.662 5.776 1.00 55.14 B
ATOM 4841 C GLU B 267 14.852 77.560 9.354 1.00 52.65 B
ATOM 4842 O GLU B 267 15.913 78.102 9.037 1.00 51.38 B
ATOM 4843 N GLY B 268 14.724 76.705 10.366 1.00 53.24 B
ATOM 4844 CA GLY B 268 15.845 76.299 11.197 1.00 50.80 B
ATOM 4845 C GLY B 268 15.884 74.781 11.082 1.00 47.26 B
ATOM 4846 O GLY B 268 14.958 74.108 11.533 1.00 46.96 B
ATOM 4847 N ARG B 269 16.936 74.234 10.475 1.00 46.61 B
ATOM 4848 CA ARG B 269 17.031 72.784 10.281 1.00 47.14 B
ATOM 4849 CB ARG B 269 17.460 72.481 8.852 1.00 40.38 B
ATOM 4850 CG ARG B 269 16.657 73.225 7.804 1.00 46.89 B
ATOM 4851 CD ARG B 269 17.246 73.004 6.422 1.00 54.77 B
ATOM 4852 NE ARG B 269 16.804 71.748 5.836 1.00 63.15 B
ATOM 4853 CZ ARG B 269 15.661 71.607 5.174 1.00 72.32 B
ATOM 4854 NHl ARG B 269 14.856 72.653 5.017 1.00 75.64 B
ATOM 4855 NH2 ARG B 269 15.323 70.425 4.672 1.00 70.83 B
ATOM 4856 C ARG B 269 17.962 72.059 11.240 1.00 48.59 B
ATOM 4857 O ARG B 269 18.939 72.626 11.731 1.00 50.24 B
ATOM 4858 N ALA B 270 17.645 70.792 11.494 1.00 51.25 B
ATOM 4859 CA ALA B 270 18.426 69.955 12.397 1.00 44.08 B
ATOM 4860 CB ALA B 270 17.932 68.517 12.319 1.00 42.01 B
ATOM 4861 C ALA B 270 19.916 70.029 12.060 1.00 44.21 B
ATOM 4862 O ALA B 270 20.319 69.854 10.907 1.00 40.02 B
ATOM 4863 N GLY B 271 20.726 70.297 13.078 1.00 47.43 B
ATOM 4864 CA GLY B 271 22.160 70.404 12.881 1.00 54.30 B
ATOM 4865 C GLY B 271 22.644 71.837 12.716 1.00 56.58 B
ATOM 4866 O GLY B 271 23.847 72.092 12.727 1.00 52.81 B
ATOM 4867 N GLU B 272 21.708 12.111 12.576 1.00 58.22 B
ATOM 4868 CA GLU B 272 22.045 74.190 12.391 1.00 49.15 B
ATOM 4869 CB GLU B 272 21.126 74.809 11.334 1.00 43.71 B
ATOM 4870 CG GLU B 272 21.336 74.233 9.938 1.00 50.85 B
ATOM 4871 CD GLU B 272 20.342 74.742 8.910 1.00 51.65 B
ATOM 4872 OEl GLU B 272 20.457 74.339 7.730 1.00 54.86 B
ATOM 4873 OE2 GLU B 272 19.446 75.534 9.277 1.00 55.69 B
ATOM 4874 C GLU B 272 21.999 75.035 13.660 1.00 47.06 B
ATOM 4875 O GLU B 272 21.105 74.894 14.498 1.00 46.16 B
ATOM 4876 N ASN B 273 22.987 75.910 13.799 1.00 47.24 B
ATOM 4877 CA ASN B 273 23.064 76.804 14.944 1.00 51.77 B
ATOM 4878 CB ASN B 273 24.522 77.098 15.276 1.00 55.55 B
ATOM 4879 CG ASN B 273 25.300 75.839 15.583 1.00 57.35 B
ATOM 4880 ODl ASN B 273 25.719 75.109 14.679 1.00 54.14
ATOM 4881 ND2 ASN B 273 25.479 75.561 16.870 1.00 61.37 B
ATOM 4882 C ASN B 273 22.335 78.073 14.540 1.00 51.69 B
ATOM 4883 O ASN B 273 22.727 78.752 13.593 1.00 52.23 B
ATOM 4884 N VAL B 274 21.276 78.400 15.266 1.00 50.39 B
ATOM 4885 CA VAL B 274 20.469 79.547 14.901 1.00 46.34 B
ATOM 4886 CB VAL B 274 19.204 79.092 14.134 1.00 43.20 B
ATOM 4887 CGl VAL B 274 19.577 78.210 12.955 1.00 36.59 B
ATOM 4888 CG2 VAL B 274 18.293 78.339 15.074 1.00 37.09 B
ATOM 4889 C VAL B 274 19.980 80.408 16.047 1.00 48.55 B
ATOM 4890 O VAL B 274 20.306 80.189 17.213 1.00 47.19 B
ATOM 4891 N GLY B 275 19.185 81.403 15.666 1.00 47.52 B ATOM 4892 CA GLY B 275 18.571 82.311 16.608 1.00 44.16 B
ATOM 4893 C GLY B 275 17.118 82.253 16.189 1.00 45.26 B
ATOM 4894 O GLY B 275 16.828 82.302 14.996 1.00 49.44 B
ATOM 4895 N VAL B 276 16.204 82.128 17.144 1.00 45.37 B
ATOM 4896 CA VAL B 276 14.782 82.038 16.820 1.00 44.44 B
ATOM 4897 CB VAL B 276 14.204 80.660 17.250 1.00 45.43 B
ATOM 4898 CGl VAL B 276 12.721 80.573 16.908 1.00 42.83 B
ATOM 4899 CG2 VAL B 276 14.965 79.542 16.564 1.00 42.39 B
ATOM 4900 C VAL B 276 13.968 83.135 17.491 1.00 42.36
ATOM 4901 O VAL B 276 13.893 83.188 18.715 1.00 47.51 B
ATOM 4902 N LEU B 277 13.355 84.002 16.687 1.00 46.90 B
ATOM 4903 CA LEU B 277 12.539 85.103 17.207 1.00 47.44 B
ATOM 4904 CB LEU B 277 12.383 86.209 16.152 1.00 45.33 B
ATOM 4905 CG LEU B 277 11.594 87.463 16.565 1.00 49.28 B
ATOM 4906 CDl LEU B 277 12.282 88.132 17.752 1.00 46.88 B
ATOM 4907 CD2 LEU B 277 11.492 88.444 15.386 1.00 44.53 B
ATOM 4908 C LEU B 277 11.160 84.600 17.615 1.00 44.10 B
ATOM 4909 O LEU B 277 10.514 83.867 16.878 1.00 40.41 B
ATOM 4910 N LEU B 278 10.716 85.010 18.795 1.00 50.71 B
ATOM 4911 CA LEU B 278 9.417 84.604 19.328 1.00 52.70 B
ATOM 4912 CB LEU B 278 9.608 83.813 20.632 1.00 48.82 B
ATOM 4913 CG LEU B 278 10.501 82.570 20.563 1.00 48.36 B
ATOM 4914 CDl LEU B 278 10.656 81.983 21.947 1.00 49.40 B
ATOM 4915 CD2 LEU B 278 9.892 81.547 19.620 1.00 44.85 B
ATOM 4916 C LEU B 278 8.555 85.828 19.610 1.00 57.26 B
ATOM 4917 O LEU B 278 9.055 86.845 20.095 1.00 60.64 B
ATOM 4918 N ARG B 279 7.259 85.725 19.327 1.00 62.46 B
ATOM 4919 CA ARG B 279 6.354 86.844 19.558 1.00 69.35 B
ATOM 4920 CB ARG B 279 5.316 86.961 18.433 1.00 74.50 B
ATOM 4921 CG ARG B 279 4.051 86.117 18.646 1.00 78.38
ATOM 4922 CD ARG B 279 2.802 86.835 18.119 1.00 80.30
ATOM 4923 NE ARG B 279 2.812 87.007 16.665 1.00 82.82
ATOM 4924 CZ ARG B 279 2.367 86.101 15.798 1.00 81.26
ATOM 4925 NHl ARG B 279 2.422 86.341 14.495 1.00 76.16
ATOM 4926 NH2 ARG B 279 1.849 84.960 16.234 1.00 85.55
ATOM 4927 C ARG B 279 5.613 86.731 20.882 1.00 70.57
ATOM 4928 O ARG B 279 5.190 85.646 21.283 1.00 70.11 B
ATOM 4929 N GLY B 280 5.458 87.867 21.553 1.00 70.96 B
ATOM 4930 CA GLY B 280 4.734 87.897 22.807 1.00 69.48 B
ATOM 4931 C GLY B 280 5.400 87.258 24.007 1.00 71.24 B
ATOM 4932 O GLY B 280 4.708 86.799 24.923 1.00 68.43 B
ATOM 4933 N ILE B 281 6.729 87.220 24.015 1.00 70.18 B
ATOM 4934 CA ILE B 281 7.452 86.642 25.140 1.00 70.40 B
ATOM 4935 CB ILE B 281 7.974 85.221 24.820 1.00 72.50 B
ATOM 4936 CG2 ILE B 281 9.093 84.838 25.780 1.00 79.26 B
ATOM 4937 CGl ILE B 281 6.820 84.221 24.937 1.00 72.60 B
ATOM 4938 CDl ILE B 281 7.242 82.774 24.882 1.00 74.08 B
ATOM 4939 C ILE B 281 8.603 87.535 25.566 1.00 69.18 B
ATOM 4940 O ILE B 281 9.498 87.847 24.779 1.00 69.86 B
ATOM "4941 N LYS B 282 8.567 87.935 26.830 1.00 68.38 B
ATOM 4942 CA LYS B 282 9.574 88.818 27.394 1.00 74.70 B
ATOM 4943 CB LYS B 282 8.971 89.555 28.597 1.00 79.36 B
ATOM 4944 CG LYS B 282 7.721 90.366 28.227 1.00 87.05 B
ATOM 4945 CD LYS B 282 6.971 90.911 29.442 1.00 89.45 B
ATOM 4946 CE LYS B 282 5.725 91.691 29.009 1.00 88.97 B
ATOM 4947 NZ LYS B 282 4.858 92.111 30.152 1.00 82.77 B
ATOM 4948 C LYS B 282 10.871 88.105 27.780 1.00 71.93 B
ATOM 4949 O LYS B 282 10.856 86.966 28.242 1.00 65.22 B
ATOM 4950 N ARG B 283 11.984 88.806 27.574 1.00 74.52 B ATOM 4951 CA ARG B 283 13.331 88.316 27.856 1.00 74.88 B
ATOM 4952 CB ARG B 283 14.311 89.499 27.840 1.00 80.38 B
ATOM 4953 CG ARG B 283 15.786 89.145 27.641 1.00 85.94 B
ATOM 4954 CD ARG B 283 16.347 88.343 28.801 1.00 91.85 B
ATOM 4955 NE ARG B 283 17.738 87.951 28.589 1.00 95.90 B
ATOM 4956 CZ ARG B 283 18.401 87.101 29.368 1.00 98.43 B
ATOM 4957 NHl ARG B 283 17.800 86.549 30.414 1.00100.54 B
ATOM 4958 NH2 ARG B 283 19.667 86.801 29.105 1.00100.64 B
ATOM 4959 C ARG B 283 13.435 87.574 29.187 1.00 77.59 B
ATOM 4960 O ARG B 283 14.118 86.554 29.281 1.00 74.98 B
ATOM 4961 N GLU B 284 12.757 88.078 30.213 1.00 79.63 B
ATOM 4962 CA GLU B 284 12.808 87.451 31.529 1.00 80.33 B
ATOM 4963 CB GLU B 284 12.699 88.517 32.628 1.00 84.72 B
ATOM 4964 CG GLU B 284 11.592 89.548 32.436 1.00 89.26 B
ATOM 4965 CD GLU B 284 11.883 90.521 31.304 1.00 92.67 B
ATOM 4966 OEl GLU B 284 13.000 91.084 31.269 1.00 91.74 B
ATOM 4967 OE2 GLU B 284 10.992 90.727 30.452 1.00 93.13 B
ATOM 4968 C GLU B 284 11.783 86.345 31.784 1.00 79.79 B
ATOM 4969 O GLU B 284 11.405 86.097 32.928 1.00 78.90 B
ATOM 4970 N GLU B 285 11.338 85.675 30.728 1.00 78.92 B
ATOM 4971 CA GLU B 285 10.377 84.582 30.880 1.00 79.21 B
ATOM 4972 CB GLU B 285 9.058 84.913 30.167 1.00 83.59 B
ATOM 4973 CG GLU B 285 8.240 86.022 30.826 1.00 87.44 B
ATOM 4974 CD GLU B 285 6.920 86.290 30.108 1.00 90.67 B
ATOM 4975 OEl GLU B 285 6.945 86.749 28.944 1.00 90.86 B
ATOM 4976 OE2 GLU B 285 5.854 86.037 30.710 1.00 91.52 B
ATOM 4977 C GLU B 285 10.966 83.287 30.315 1.00 75.29 B
ATOM 4978 O GLU B 285 10.432 82.202 30.535 1.00 70.64 B
ATOM 4979 N ILE B 286 12.075 83.422 29.591 1.00 72.88 B
ATOM 4980 CA ILE B 286 12.766 82.289 28.984 1.00 70.97 B
ATOM 4981 CB ILE B 286 12.820 82.406 27.445 1.00 67.29 B
ATOM 4982 CG2 ILE B 286 13.640 81.266 26.866 1.00 67.40 B
ATOM 4983 CGl ILE B 286 11.410 82.382 26.862 1.00 68.36 B
ATOM 4984 CDl ILE B 286 11.389 82.404 25.352 1.00 71.33 B
ATOM 4985 C ILE B 286 14.206 82.223 29.482 1.00 71.01 B
ATOM 4986 O ILE B 286 14.913 83.234 29.500 1.00 72.83 B
ATOM 4987 N GLU B 287 14.645 81.033 29.876 1.00 67.48 B
ATOM 4988 CA GLU B 287 16.008 80.876 30.353 1.00 64.05 B
ATOM 4989 CB GLU B 287 16.041 80.876 31.877 1.00 66.64 B
ATOM 4990 CG GLU B 287 15.189 79.820 32.529 1.00 66.31 B
ATOM 4991 CD GLU B 287 15.286 79.887 34.040 1.00 76.03 B
ATOM 4992 OEl GLU B 287 16.411 79.731 34.566 1.00 77.53 B
ATOM 4993 OE2 GLU B 287 14.246 80.103 34.701 1.00 77.96 B
ATOM 4994 C GLU B 287 16.726 79.641 29.828 1.00 60.13 B
ATOM 4995 O GLU B 287 16.105 78.689 29.344 1.00 52.96 B
ATOM 4996 N ARG B 288 18.052 79.694 29.933 1.00 56.92 B
ATOM 4997 CA ARG B 288 18.955 78.634 29.496 1.00 52.69 B
ATOM 4998 CB ARG B 288 20.383 78.985 29.936 1.00 54.47 B
ATOM 4999 CG ARG B 288 21.483 78.164 29.309 1.00 56.19 B
ATOM 5000 CD ARG B 288 22.817 78.907 29.404 1.00 62.85 B
ATOM 5001 NE ARG B 288 23.807 78.346 28.488 1.00 69.43 B
ATOM 5002 CZ ARG B 288 24.520 77.251 28.735 1.00 77.04 B
ATOM 5003 NHl ARG B 288 24.364 76.601 29.881 1.00 80.62 B
ATOM 5004 NH2 ARG B 288 25.374 76.792 27.827 1.00 80.41 B
ATOM 5005 C ARG B 288 18.526 77.312 30.112 1.00 46.38 B
ATOM 5006 O ARG B 288 18.223 77.243 31.296 1.00 43.84 B
ATOM 5007 N GLY B 289 18.484 76.262 29.307 1.00 46.95 B
ATOM 5008 CA GLY B 289 18.089 74.980 29.850 1.00 50.69 B
ATOM 5009 C GLY B 289 16.737 74.516 29.374 1.00 49.69 B ATOM 5010 O GLY B 289 16.503 73.315 29.248 00 52.75 B
ATOM 5011 N GLN B 290 15.832 75.459 29.132 00 49.63 B
ATOM 5012 CA GLN B 290 14.507 75.113 28.632 00 43.15 B
ATOM 5013 CB GLN B 290 13.559 76.313 28.701 00 46.03 B
ATOM 5014 CG GLN B 290 13.150 76.728 30.103 00 49.50 B
ATOM 5015 CD GLN B 290 12.207 77.912 30.094 00 46.50 B
ATOM 5016 OEl GLN B 290 12.567 78.999 29.650 00 50.31 B
ATOM 5017 NE2 GLN B 290 10.989 77.706 30.577 00 51.11 B
ATOM 5018 C GLN B 290 14.719 74.739 27.181 00 41.91 B
ATOM 5019 O GLN B 290 15.783 75.012 26.619 00 45.07 B
ATOM 5020 N VAL B 291 13.717 74.119 26.570 00 41.18 B
ATOM 5021 CA VAL B 291 13.819 73.738 25.163 00 38.63 B
ATOM 5022 CB VAL B 291 13.807 72.191 24.979 00 40.02 B
ATOM 5023 CGl VAL B 291 14.855 71.543 25.868 00 32.91 B
ATOM 5024 CG2 VAL B 291 12.420 71.638 25.299 1.00 39.91 B
ATOM 5025 C VAL B 291 12.651 74.306 24.359 1.00 40.45 B
ATOM 5026 O VAL B 291 11.563 74.544 24.899 1.00 34.65 B
ATOM 5027 N LEU B 292 12.890 74.530 23.071 1.00 38.37 B
ATOM 5028 CA LEU B 292 11.856 75.017 22.168 .00 39.19 B
ATOM 5029 CB LEU B 292 12.440 75.983 21.133 00 36.76 B
ATOM 5030 CG LEU B 292 11.725 77.320 20.975 00 39.37 B
ATOM 5031 CDl LEU B 292 11.680 78.041 22.322 00 45.25 B
ATOM 5032 CD2 LEU B 292 12.449 78.165 19.928 00 42.94 B
ATOM 5033 C LEU B 292 11.418 73.730 21.483 00 38.23 B
ATOM 5034 O LEU B 292 12.262 72.924 21.086 00 40.16 B
ATOM 5035 N ALA B 293 10.116 73.521 21.343 00 34.42 B
ATOM 5036 CA ALA B 293 9.652 72.291 20.722 00 36.96 B
ATOM 5037 CB ALA B 293 9.670 71.165 21.755 00 30.36 B
ATOM 5038 C ALA B 293 8.273 72.368 20.085 00 40.09 B
ATOM 5039 O ALA B 293 7.463 73.253 20.391 1.00 38.28 B
ATOM 5040 N LYS B 294 8.023 71.420 19.189 .00 40.98 B
ATOM 5041 CA LYS B 294 6.745 71.315 18.513 .00 40.60 B
ATOM 5042 CB LYS B 294 6.780 70.141 17.539 , 00 42.93 B
ATOM 5043 CG LYS B 294 5.482 69.884 16.805 , 00 45.17 B
ATOM 5044 CD LYS B 294 5.665 68.773 15.784 .00 50.74 B
ATOM 5045 CE LYS B 294 4.335 68.306 15.220 , 00 56.47
ATOM 5046 NZ LYS B 294 3.591 69.426 14.590 .00 64.05 B
ATOM 5047 C LYS B 294 5.723 71.063 19.614 1.00 41.08 B
ATOM 5048 O LYS B 294 5.899 70.167 20.445 1.00 39.80 B
ATOM 5049 N PRO B 295 4.645 71.855 19.644 1.00 41.68 B
ATOM 5050 CD PRO B 295 4.296 72.900 18.667 00 42.30 B
ATOM 5051 CA PRO B 295 3.592 71.720 20.656 , 00 46.01
ATOM 5052 CB PRO B 295 2.459 72.561 20.073 .00 46.28
ATOM 5053 CG PRO B 295 3.200 73.657 19.392 .00 40.10
ATOM 5054 C PRO B 295 3.154 70.282 20.977 .00 46.74
ATOM 5055 O PRO B 295 2.867 69.486 20.082 .00 48.14
ATOM 5056 N GLY B 296 3.118 69.962 22.266 .00 46.55 B
ATOM 5057 CA GLY B 296 2.705 68.641 22.710 .00 42.54 B
ATOM 5058 C GLY B 296 3.618 67.461 22.413 .00 47.32 B
ATOM 5059 O GLY B 296 3.171 66.319 22.491 .00 53.98 B
ATOM 5060 N THR B 297 4.887 67.694 22.087 1.00 43.90 B
ATOM 5061 CA THR B 297 5.773 66.571 21.781 1.00 40.68 B
ATOM 5062 CB THR B 297 6.531 66.808 20.468 1.00 38.90 B
ATOM 5063 OGl THR B 297 7.322 68.002 20.571 1.00 45.06 B
ATOM 5064 CG2 THR B 297 5.540 66.953 19.320 1.00 39.12 B
ATOM 5065 C THR B 297 6.778 66.215 22.874 00 44.76 B
ATOM 5066 O THR B 297 7.454 65.182 22.785 00 39.16 B
ATOM 5067 N ILE B 298 6.893 67.063 23.896 00 39.99 B
ATOM 5068 CA ILE B 298 7.805 66.777 24.997 1.00 39.00 B ATOM 5069 CB ILE B 298 .9.244 67.304 24.720 1.00 34.22 B
ATOM 5070 CG2 ILE B 298 9.302 68.819 24.898 1.00 32.48 B
ATOM 5071 CGl ILE B 298 10.228 66.634 25.686 1.00 39.62 B
ATOM 5072 CDl ILE B 298 11.689 66.799 25.301 1.00 36.01 B
ATOM 5073 C ILE B 298 7.254 67.387 26.274 1.00 41.42 B
ATOM 5074 O ILE B 298 6.686 '68.480 26.249 1.00 42.75 B
ATOM 5075 N LYS B 299 7.415 66.669 27.387 1.00 42.61 B
ATOM 5076 CA LYS B 299 6.915 67.124 28.681 1.00 38 : 73 B
ATOM 5077 CB LYS B 299 5.908 66.111 29.231 1.00 46.43 B
ATOM 5078 CG LYS B 299 4.699 65.847 28.350 1.00 49.76 B
ATOM 5079 CD LYS B 299 3.786 67.061 28.269 1.00 62.16 B
ATOM 5080 CE LYS B 299 2.569 66.783 27.393 1.00 66.02 B
ATOM 5081 NZ LYS B 299 1.710 67.992 27.232 1.00 67.75 B
ATOM 5082 C LYS B 299 8.006 67.352 29.737 1.00 40.80 B
ATOM 5083 O LYS B 299 9.102 66.782 29.667 1.00 33.70 B
ATOM 5084 N PRO B 300 7.709 68.201 30.737 1.00 44.73 B
ATOM 5085 CD PRO B 300 6.523 69.077 30.825 1.00 36.95 B
ATOM 5086 CA PRO B 300 8.659 68.500 31.813 1.00 42.34 B
ATOM 5087 CB PRO B 300 8.199 69.867 32.305 1.00 43.06 B
ATOM 5088 CG PRO B 300 6.724 69.771 32.170 1.00 39.01 B
ATOM 5089 C PRO B 300 8.537 67.438 32.889 1.00 42.66 B
ATOM 5090 O PRO B 300 7.432 67.000 33.205 1.00 39.95 B
ATOM 5091 N HIS B 301 9.671 67.016 33.438 1.00 45.54 B
ATOM 5092 CA HIS B 301 9.681 66.000 34.486 1.00 43.41 B
ATOM 5093 CB HIS B 301 10.007 64.620 33.900 1.00 47.28 B
ATOM 5094 CG HIS B 301 8.918 64.056 33.040 1.00 54.33 B
ATOM 5095 CD2 HIS B 301 8.853 63.850 31.703 1.00 51.24 B
ATOM 5096 NDl HIS B 301 7.701 63.655 33.550 1.00 54.43 B
ATOM 5097 CEl HIS B 301 6.933 63.227 32.563 1.00 54.71 B
ATOM 5098 NE2 HIS B 301 7.609 63.334 31.432 1.00 50.56 B
ATOM 5099 C HIS B 301 10.688 66.331 35.575 1.00 42.95 B
ATOM 5100 O HIS B 301 11.734 66.928 35.315 1.00 42.44 B
ATOM 5101 N THR B 302 10.364 65.920 36.794 1.00 42.53 B
ATOM 5102 CA THR B 302 11.220 66.149 37.946 1.00 46.32 B
ATOM 5103 CB THR B 302 10.429 66.770 39.095 1.00 44.90 B
ATOM 5104 OGl THR B 302 9.883 68.026 38.675 1.00 57.24 B
ATOM 5105 CG2 THR B 302 11.331 66.986 40.293 1.00 55.28 B
ATOM 5106 C THR B 302 11.821 64.849 38.452 1.00 46.55 B
ATOM 5107 O THR B 302 12.926 64.834 38.987 1.00 50.35 B
ATOM 5108 N LYS B 303 11.087 63.757 38.275 1.00 45.94 B
ATOM 5109 CA LYS B 303 11.535 62.454 38.751 1.00 48.63 B
ATOM 5110 CB LYS B 303 10.552 61.951 39.816 1.00 49.79 B
ATOM 5111 CG LYS B 303 11.041 60.796 40.665 1.00 51.52 B
ATOM 5112 CD LYS B 303 10.122 60.609 41.865 1.00 55.89 B
ATOM 5113 CE LYS B 303 10.591 59.489 42.776 1.00 55.80 B
ATOM 5114 NZ LYS B 303 9.787 59.432 44.029 1.00 55.21 B
ATOM 5115 C LYS B 303 11.647 61.445 37.611 1.00 46.00 B
ATOM 5116 O LYS B 303 10.812 61.421 36.701 1.00 43.12 B
ATOM 5117 N PHE B 304 12.682 60.614 37.661 1.00 42.80 B
ATOM 5118 CA PHE B 304 12.885 59.618 36.619 1.00 44.13 B
ATOM 5119 CB PHE B 304 13.458 60.297 35.370 1.00 38.60 B
ATOM 5120 CG PHE B 304 14.839 60.859 35.566 1.00 40.84 B
ATOM 5121 CDl PHE B 304 15.965 60.051 35.403 1.00 31.55 B
ATOM 5122 CD2 PHE B 304 15.019 62.200 35.932 1.00 44.12 B
ATOM 5123 CEl PHE B 304 17.259 60.570 35.604 1.00 35.89 B
ATOM 5124 CE2 PHE B 304 16.311 62.733 36.135 1.00 36.03 B
ATOM 5125 CZ PHE B 304 17.430 61.912 35.970 1.00 33.50 B
ATOM 5126 C PHE B 304 13.812 58.487 37.063 1.00 43.64 B
ATOM 5127 O PHE B 304 14.556 58.620 38.039 1.00 41.24 B ATOM 5128 N GLU B 305 13.753 57.372 36.340 00 42.49
ATOM 5129 CA GLU B 305 14.605 56.221 36.616 00 46.33 B
ATOM 5130 CB GLU B 305 13.813 54.917 36.508 00 50.44 B
ATOM 5131 CG GLU B 305 12.640 54.806 37.454 00 60.11 B
ATOM 5132 CD GLU B 305 11.922 53.471 37.324 00 71.07 B
ATOM 5133 OEl GLU B 305 10.904 53.274 38.026 00 70.21 B
ATOM 5134 OE2 GLU B 305 12.378 52.621 36.523 00 72.67 B
ATOM 5135 C GLU B 305 15.699 56.213 35.558 00 49.85 B
ATOM 5136 O GLU B 305 15.480 56.643 34.423 00 51.25 B
ATOM 5137 N SER B 306 16.873 55.711 35.906 00 49.23 B
ATOM 5138 CA SER B 306 17.941 55.684 34.924 00 54.31 B
ATOM 5139 CB SER B 306 18.651 57.030 34.899 00 55.71 B
ATOM 5140 OG SER B 306 19.127 57.349 36.195 00 53.52 B
ATOM 5141 C SER B 306 18.958 54.599 35.179 00 54.57 B
ATOM 5142 O SER B 306 19.060 54.069 36.282 00 54.72 B
ATOM 5143 N GLU B 307 19.690 54.263 34.127 00 59.33 B
ATOM 5144 CA GLU B 307 20.759 53.278 34.183 00 61.78 B
ATOM 5145 CB GLU B 307 20.713 52.336 32.971 00 74.06 B
ATOM 5146 CG GLU B 307 20.104 50.955 33.233 00 85.43 B
ATOM 5147 CD GLU B 307 18.587 50.934 33.128 1.00 91.07 B
ATOM 5148 OEl GLU B 307 18.055 51.319 32.063 1.00 97.69 B
ATOM 5149 OE2 GLU B 307 17.926 50.522 34.105 1.00 90.39 B
ATOM 5150 C GLU B 307 21.989 54.167 34.092 00 55.79 B
ATOM 5151 O GLU B 307 22.237 54.795 33.061 00 56.76 B
ATOM 5152 N VAL B 308 22.754 54.238 35.170 00 49.79 B
ATOM 5153 CA VAL B 308 23.927 55.095 35.171 00 43.01 B
ATOM 5154 CB VAL B 308 23.819 56.175 36.272 1.00 41.73 B
ATOM 5155 CGl VAL B 308 24.937 57.177 36.116 00 40.70 B
ATOM 5156 CG2 VAL B 308 22.451 56.864 36.212 00 34.50 B
ATOM 5157 C VAL B 308 25.228 54.345 35.384 00 41.60 B
ATOM 5158 O VAL B 308 25.296 53.402 36.160 00 41.94 B
ATOM 5159 N TYR B 309 26.267 54.771 34.679 00 42.34 B
ATOM 5160 CA TYR B 309 27.572 54.162 34.840 1.00 41.07 B
ATOM 5161 CB TYR B 309 28.240 53.904 33.490 00 31.67 B
ATOM 5162 CG TYR B 309 29.703 53.565 33.640 00 38.66 B
ATOM 5163 CDl TYR B 309 30.689 54.475 33.270 00 42.08 B
ATOM 5164 CEl TYR B 309 32.041 54.196 33.471 00 42.64 B
ATOM 5165 CD2 TYR B 309 30.102 52.354 34.215 00 40.82 B
ATOM 5166 CE2 TYR B 309 31.446 52.063 34.421 00 41.86 B
ATOM 5167 CZ TYR B 309 32.413 52.990 34.047 00 49.13 B
ATOM 5168 OH TYR B 309 33.748 52.713 34.259 00 46.16 B
ATOM 5169 C TYR B 309 28.408 55.150 35.634 1.00 41.37
ATOM 5170 O TYR B 309 28.540 56.307 35.237 00 48.30
ATOM 5171 N ILE B 310 28.956 54.699 36.756 00 36.20
ATOM 5172 CA ILE B 310 29.776 55.553 37.607 1.00 33.06 B
ATOM 5173 CB ILE B 310 29.601 55.181 39.103 1.00 34.86 B
ATOM 5174 CG2 ILE B 310 30.484 56.063 39.975 1.00 31.28 B
ATOM 5175 CGl ILE B 310 28.130 55.321 39.503 1.00 35.21 B
ATOM 5176 CDl ILE B 310 27.531 56.693 39.218 1.00 29.05 B
ATOM 5177 C ILE B 310 31.239 55.390 37.223 1.00 32.97 B
ATOM 5178 O ILE B 310 31.815 54.323 37.412 1.00 32.23 B
ATOM 5179 N LEU B 311 31.837 56.451 36.691 00 33.84 B
ATOM 5180 CA LEU B 311 33.232 56.404 36.261 00 35.11 B
ATOM 5181 CB LEU B 311 33.734 57.809 35.893 00 32.22 B
ATOM 5182 CG LEU B 311 33.055 58.723 34.857 00 38.54 B
ATOM 5183 CDl LEU B 311 34.043 59.028 33.753 1.00 30.67 B
ATOM 5184 CD2 LEU B 311 31.790 58.099 34.289 00 38.45 B
ATOM 5185 C LEU B 311 34.153 55.822 37.333 00 38.39 B
ATOM 5186 O LEU B 311 33.969 56.070 38.525 1.00 39.02 B ATOM 5187 N SER B 312 35.140 55.043 36.905 00 38.60 B
ATOM 5188 CA SER B 312 36.110 54.470 37.828 00 45.02 B
ATOM 5189 CB SER B 312 36.693 53.180 37.253 00 46.57 B
ATOM 5190 OG SER B 312 37.422 53.445 36.065 00 49.76 B
ATOM 5191 C SER B 312 37.222 55.513 37.974 00 50.97 B
ATOM 5192 O SER B 312 37.267 56.492 37.218 00 48.51 B
ATOM 5193 N LYS B 313 38.108 55.319 38.944 00 53.40 B
ATOM 5194 CA LYS B 313 39.214 56.250 39.150 00 54.38 B
ATOM 5195 CB LYS B 313 40.052 55.816 40.357 00 55.25 B
ATOM 5196 CG LYS B 313 41.336 56.606 40.550 1.00 59.61
ATOM 5197 CD LYS B 313 42.048 56.193 41.834 .00 69.40
ATOM 5198 CE LYS B 313 43.476 56.721 41.878 .00 70.68 B
ATOM 5199 NZ LYS B 313 44.333 56.089 40.827 .00 73.98 B
ATOM 5200 C LYS B 313 40.062 56.230 37.880 .00 55.26 B
ATOM 5201 O LYS B 313 40.652 57.238 37.487 .00 51.53 B
ATOM 5202 N ASP B 314 40.097 55.054 37.257 .00 57.45 B
ATOM 5203 CA ASP B 314 40.820 54.797 36.013 .00 58.58 B
ATOM 5204 CB ASP B 314 40.451 53.399 35.501 .00 63.83 B
ATOM 5205 CG ASP B 314 41.572 52.400 35.655 .00 74.71 B
ATOM 5206 ODl ASP B 314 42.366 52.544 36.606 .00 80.51 B
ATOM 5207 OD2 ASP B 314 41.649 51.459 34.830 .00 79.39 B
ATOM 5208 C ASP B 314 40.433 55.810 34.940 .00 57.64 B
ATOM 5209 O ASP B 314 41.252 56.189 34.097 .00 55.78 B
ATOM 5210 N GLU B 315 39.170 56.229 34.993 .00 49.17 B
ATOM 5211 CA GLU B 315 38.577 57.148 34.030 .00 45.18 B
ATOM 5212 CB GLU B 315 37.262 56.536 33.551 1.00 41.18 B
ATOM 5213 CG GLU B 315 37.468 55.193 32.864 00 43.15 B
ATOM 5214 CD GLU B 315 36.229 54.328 32.869 00 47.94 B
ATOM 5215 OEl GLU B 315 36.158 53.387 32.047 00 55.69 B
ATOM 5216 OE2 GLU B 315 35.332 54.578 33.700 00 49.65 B
ATOM 5217 C GLU B 315 38.349 58.587 34.504 00 42.02
ATOM 5218 O GLU B 315 37.630 59.349 33.862 00 31.68 B
ATOM 5219 N GLY B 316 38.964 58.954 35.623 00 39.33 B
ATOM 5220 CA GLY B 316 38.811 60.303 36.133 00 40.54 B
ATOM 5221 C GLY B 316 37.602 60.540 37.026 00 39.49 B
ATOM 5222 O GLY B 316 37.242 61.688 37.273 00 41.47 B
ATOM 5223 N GLY B 317 36.976 59.471 37.509 00 38.26 B
ATOM 5224 CA GLY B 317 35.821 59.624 38.377 00 37.28 B
ATOM 5225 C GLY B 317 36.210 59.654 39.843 00 40.85 B
ATOM 5226 O GLY B 317 37.390 59.806 40.166 00 39.96 B
ATOM 5227 N ARG B 318 35.223 59.516 40.728 00 40.86 B
ATOM 5228 CA ARG B 318 35.453 59.512 42.179 00 43.16 B
ATOM 5229 CB ARG B 318 34.161 59.253 42.944 00 42.69 B
ATOM 5230 CG ARG B 318 33.070 60.256 42.798 00 47.04 B
ATOM 5231 CD ARG B 318 31.854 59.763 43.575 00 44.28 B
ATOM 5232 NE ARG B 318 32.174 59.521 44.983 00 45.79 B
ATOM 5233 CZ ARG B 318 31.881 60.351 45.979 00 41.03 B
ATOM 5234 NHl ARG B 318 32.216 60.038 47.222 00 44.69 B
ATOM 5235 NH2 ARG B 318 31.237 61.485 45.741 00 38.08 B
ATOM 5236 C ARG B 318 36.414 58.398 42.583 00 43.80 B
ATOM 5237 O ARG B 318 36.602 57.432 41.845 00 49.57 B
ATOM 5238 N HIS B 319 36.980 58.530 43.780 1.00 42.43 B
ATOM 5239 CA HIS B 319 37.909 57.544 44.328 00 48.01 B
ATOM 5240 CB HIS B 319 39.122 58.238 44.946 00 44.80 B
ATOM 5241 CG HIS B 319 39.963 58.979 43.957 00 54.41 B
ATOM 5242 CD2 HIS B 319 39.839 59.137 42.618 00 54.17 B
ATOM 5243 NDl HIS B 319 41.090 59.681 44.323 00 54.17 B
ATOM 5244 CEl HIS B 319 41.623 60.243 43.254 00 51.17 B
ATOM 5245 NE2 HIS B 319 40.883 59.929 42.206 1.00 56.76 B ill
ATOM 5246 C HIS B 319 37.228 56.720 45.413 00 46.55 B
ATOM 5247 O HIS B 319 37.740 55.676 45.832 00 46.34 B
ATOM 5248 N THR B 320 36.072 57.205 45.857 00 44.84 B
ATOM 5249 CA THR B 320 35.306 56.560 46.919 00 40.56 B
ATOM 5250 CB THR B 320 35.355 57.401 48.213 00 43.73 B
ATOM 5251 OGl THR B 320 34.672 58.647 48.001 00 34.72 B
ATOM 5252 CG2 THR B 320 36.801 57.691 48.614 00 39.78 B
ATOM 5253 C THR B 320 33.833 56.377 46.560 00 41.04 B
ATOM 5254 O THR B 320 33.330 56.987 45.614 00 38.70 B
ATOM 5255 N PRO B 321 33.123 55.532 47.323 00 37.85 B
ATOM 5256 CD PRO B 321 33.645 54.639 48.375 00 35.25 B
ATOM 5257 CA PRO B 321 31.701 55.275 47.088 00 41.65 B
ATOM 5258 CB PRO B 321 31.453 53.992 47.874 00 37.69 B
ATOM 5259 CG PRO B 321 32.370 54.161 49.042 1.00 39.72 B
ATOM 5260 C PRO B 321 30.838 56.426 47.593 00 40.24 B
ATOM 5261 O PRO B 321 31.267 57.205 48.443 00 41.21 B
ATOM 5262 N PHE B 322 29.631 56.554 47.057 00 42.06 B
ATOM 5263 CA PHE B 322 28.741 57.608 47.524 00 44.67
ATOM 5264 CB PHE B 322 28.394 58.610 46.396 00 40.76
ATOM 5265 CG PHE B 322 27.589 58.032 45.254 00 36.89
ATOM 5266 CDl PHE B 322 26.231 57.767 45.400 00 33.39
ATOM 5267 CD2 PHE B 322 28.181 57.818 44.012 00 37.10
ATOM 5268 CEl PHE B 322 25.476 57.303 44.324 00 36.24 B
ATOM 5269 CE2 PHE B 322 27.436 57.356 42.932 00 39.19 B
ATOM 5270 CZ PHE B 322 26.077 57.098 43.089 00 41.58 B
ATOM 5271 C PHE B 322 27.513 56.912 48.069 00 46.67 B
ATOM 5272 O PHE B 322 27.254 55.759 47.727 1.00 52.03 B
ATOM 5273 N PHE B 323 26.754 57.590 48.919 00 49.52 B
ATOM 5274 CA PHE B 323 25.588 56.946 49.508 00 51.53 B
ATOM 5275 CB PHE B 323 25.754 56.865 51.026 00 51.62 B
ATOM 5276 CG PHE B 323 27.121 56.418 51.462 00 53.62 B
ATOM 5277 CDl PHE B 323 28.180 57.318 51.501 00 49.29 B
ATOM 5278 CD2 PHE B 323 27.360 55.088 51.794 00 53.04 B
ATOM 5279 CEl PHE B 323 29.465 56.898 51.864 00 53.89 B
ATOM 5280 CE2 PHE B 323 28.638 54.658 52.157 00 52.98 B
ATOM 5281 CZ PHE B 323 29.692 55.564 52.192 00 51.98 B
ATOM 5282 C PHE B 323 24.268 57.610 49.196 00 53.77 B
ATOM 5283 O PHE B 323 24.207 58.587 48.456 00 53.89 B
ATOM 5284 N LYS B 324 23.208 57.053 49.770 1.00 58.81
ATOM 5285 CA LYS B 324 21.866 57.582 49.594 00 63.51 B
ATOM 5286 CB LYS B 324 20.920 56.919 50.598 00 69.22 B
ATOM 5287 CG LYS B 324 19.439 57.193 50.372 00 75.65 B
ATOM 5288 CD LYS B 324 18.865 56.297 49.286 00 79.91 B
ATOM 5289 CE LYS B 324 17.370 56.526 49.127 00 85.49 B
ATOM 5290 NZ LYS B 324 16.636 56.330 50.409 00 90.23 B
ATOM 5291 C LYS B 324 21.961 59.082 49.876 00 64.19 B
ATOM 5292 O LYS B 324 22.821 59.525 50.641 00 61.15 B
ATOM 5293 N GLY B 325 21.094 59.867 49.248 00 65.93 B
ATOM 5294 CA GLY B 325 21.127 61.301 49.472 00 66.80
ATOM 5295 C GLY B 325 22.311 62.034 48.857 00 64.11
ATOM 5296 O GLY B 325 22.635 63.150 49.275 00 61.02
ATOM 5297 N TYR B 326 22.977 61.407 47.889 00 58.51 B
ATOM 5298 CA TYR B 326 24.100 62.046 47.203 00 48.76 B
ATOM 5299 CB TYR B 326 24.784 61.053 46.256 00 46.42 B
ATOM 5300 CG TYR B 326 26.041 61.557 45.579 1.00 45.91 B
ATOM 5301 CDl TYR B 326 26.352 61.158 44.274 1.00 45.46 B
ATOM 5302 CEl TYR B 326 27.517 61.586 43.644 1.00 40.36 B
ATOM 5303 CD2 TYR B 326 26.936 62.402 46.241 1.00 41.51 B
ATOM 5304 CE2 TYR B 326 28.113 62.837 45.615 1.00 39.54 B ATOM 5305 CZ TYR B 326 28.390 62.424 44.314 1.00 43.65 B
ATOM 5306 OH TYR B 326 29.527 62.857 43.667 1.00 43.53 B
ATOM 5307 C TYR B 326 23.389 63.133 46.403 .00 44.84 B
ATOM 5308 O TYR B 326 22.331 62.878 45.815 .00 40.00 B
ATOM 5309 N ARG B 327 23.944 64.340 46.392 .00 43.47 B
ATOM 5310 CA ARG B 327 23.306 65.443 45.674 .00 46.56 B
ATOM 5311 CB ARG B 327 22.802 66.484 46.681 .00 45.49 B
ATOM 5312 CG ARG B 327 21.317 66.778 46.590 00 48.21 B
ATOM 5313 CD ARG B 327 20.851 67.620 47.777 00 55.87 B
ATOM 5314 NE ARG B 327 21.506 68.925 47.812 , 00 58.59 B
ATOM 5315 CZ ARG B 327 20.926 70.070 47.464 .00 58.11
ATOM 5316 NHl ARG B 327 19.661 70.086 47.057 .00 53.26 B
ATOM 5317 NH2 ARG B 327 21.623 71.198 47.504 .00 53.03 B
ATOM 5318 C ARG B 327 24.219 66.111 44.650 .00 40.22 B
ATOM 5319 O ARG B 327 24.667 67.233 44.852 .00 37.48 B
ATOM 5320 N PRO B 328 24.507 65.423 43.530 .00 43.43 B
ATOM 5321 CD PRO B 328 24.202 64.006 43.240 .00 35.62 B
ATOM 5322 CA PRO B 328 25.377 65.992 42.495 .00 37.97 B
ATOM 5323 CB PRO B 328 25.981 64.750 41.850 .00 36.66 B
ATOM 5324 CG PRO B 328 24.809 63.804 41.863 .00 37.56 B
ATOM 5325 C PRO B 328 24.594 66.844 41.492 .00 36.02 B
ATOM 5326 O PRO B 328 23.399 67.086 41.663 .00 34.50 B
ATOM 5327 N GLN B 329 25.276 67.300 40.447 .00 35.96 B
ATOM 5328 CA GLN B 329 24.634 68.102 39.418 .00 34.04 B
ATOM 5329 CB GLN B 329 25.519 69.288 39.041 .00 35.90 B
ATOM 5330 CG GLN B 329 25.676 70.313 40.142 .00 36.49 B
ATOM 5331 CD GLN B 329 24.356 70.966 40.525 .00 42.89
ATOM 5332 OEl GLN B 329 23.839 70.759 41.628 .00 37.93
ATOM 5333 NE2 GLN B 329 23.801 71.755 39.610 .00 37.23
ATOM 5334 C GLN B 329 24.388 67.228 38.191 .00 36.95
ATOM 5335 O GLN B 329 25.285 66.492 37.742 .00 26.42
ATOM 5336 N PHE B 330 23.171 67.312 37.660 .00 30.48
ATOM 5337 CA PHE B 330 22.783 66.535 36.486 .00 33.64
ATOM 5338 CB PHE B 330 21.412 65.897 36.737 .00 27.85 B
ATOM 5339 CG PHE B 330 21.430 64.813 37.789 .00 30.08 B
ATOM 5340 CDl PHE B 330 21.475 63.467 37.422 .00 34.99 B
ATOM 5341 CD2 PHE B 330 21.430 65.136 39.144 1.00 27.94 B
ATOM 5342 CEl PHE B 330 21.522 62.456 38.388 1.00 41.44 B
ATOM 5343 CE2 PHE B 330 21.478 64.137 40.122 00 36.83 B
ATOM 5344 CZ PHE B 330 21.526 62.791 39.745 00 31.97 B
ATOM 5345 C PHE B 330 22.741 67.414 35.228 00 31.19
ATOM 5346 O PHE B 330 21.973 68.371 35.158 00 40.06
ATOM 5347 N TYR B 331 23.562 67.085 34.238 00 33.82
ATOM 5348 CA TYR B 331 23.619 67.858 32.994 00 27.01 B
ATOM 5349 CB TYR B 331 25.048 67.856 32.455 00 30.22 B
ATOM 5350 CG TYR B 331 26.015 68.698 33.279 1.00 34.81 B
ATOM 5351 CDl TYR B 331 26.675 69.789 32.710 .00 32.99 B
ATOM 5352 CEl TYR B 331 27.551 70.579 33.460 .00 35.04 B
ATOM 5353 CD2 TYR B 331 26.260 68.412 34.628 .00 32.09
ATOM 5354 CE2 TYR B 331 27.136 69.195 35.386 .00 33.97
ATOM 5355 CZ TYR B 331 27.776 70.278 34.794 .00 37.34
ATOM 5356 OH TYR B 331 28.630 71.068 35.532 .00 46.45 B
ATOM 5357 C TYR B 331 22.655 67.373 31.906 .00 33.09 B
ATOM 5358 O TYR B 331 22.797 66.270 31.371 .00 33.14 B
ATOM 5359 N PHE B 332 21.663 68.200 31.596 1.00 28.40 B
ATOM 5360 CA PHE B 332 20.689 67.884 30.556 1.00 37.58 B
ATOM 5361 CB PHE B 332 19.270 67.861 31.119 1.00 41.53 B
ATOM 5362 CG PHE B 332 19.010 66.716 32.049 1.00 45.80 B
ATOM 5363 CDl PHE B 332 19.091 66.887 33.427 1.00 48.28 B ATOM 5364 CD2 PHE B 332 18.692 65.457 31.545 00 46.59 B
ATOM 5365 CEl PHE B 332 18.858 65.822 34.295 00 35.42 B
ATOM 5366 CE2 PHE B 332 18.457 64.384 32.401 00 42.33 B
ATOM 5367 CZ PHE B 332 18.540 64.568 33.779 00 45.96 B
ATOM 5368 C PHE B 332 20.764 68.939 29.468 1.00 40.60 B
ATOM 5369 O PHE B 332 20.357 70.085 29.673 00 44.04 B
ATOM 5370 N ARG B 333 21.286 68.548 28.314 00 37.71 B
ATOM 5371 CA ARG B 333 21.435 69.458 27.190 00 41.59 B
ATOM 5372 CB ARG B 333 20.065 69.811 26.600 00 39.19 B
ATOM 5373 CG ARG B 333 19.425 68.630 25.866 00 34.94 B
ATOM 5374 CD ARG B 333 18.019 68.938 25.380 00 38.83 B
ATOM 5375 NE ARG B 333 17.507 67.871 24.521 , 00 37.30 B
ATOM 5376 CZ ARG B 333 16.533 67.025 24.857 1.00 36.69 B
ATOM 5377 NHl ARG B 333 15.936 67.107 26.043 00 30.99 B
ATOM 5378 NH2 ARG B 333 16.168 66.072 24.009 00 31.33 B
ATOM 5379 C ARG B 333 22.218 70.718 27.538 00 38.48 B
ATOM 5380 O ARG B 333 23.398 70.634 27.870 00 43.76 B
ATOM 5381 N THR B 334 21.577 71.878 27.487 00 33.91 B
ATOM 5382 CA THR B 334 22.300 73.121 27.739 00 38.25 B
ATOM 5383 CB THR B 334 21.744 74.289 26.885 00 35.70 B
ATOM 5384 OGl THR B 334 20.338 74.441 27.131 00 34.43 B
ATOM 5385 CG2 THR B 334 21.994 74.030 25.402 00 27.60 B
ATOM 5386 C THR B 334 22.406 73.618 29.165 00 42.28 B
ATOM 5387 O THR B 334 22.932 74.702 29.392 00 50.35 B
ATOM 5388 N THR B 335 21.910 72.859 30.130 00 41.52 B
ATOM 5389 CA THR B 335 22.020 73.293 31.519 00 34.25 B
ATOM 5390 CB THR B 335 20.756 74.069 31.978 00 33.01 B
ATOM 5391 OGl THR B 335 20.984 74.631 33.279 1.00 35.71 B
ATOM 5392 CG2 THR B 335 19.560 73.140 32.072 1.00 36.18 B
ATOM 5393 C THR B 335 22.245 72.103 32.453 1.00 35.06 B
ATOM 5394 O THR B 335 22.250 70.958 32.021 1.00 38.37 B
ATOM 5395 N ASP B 336 22.441 72.383 33.735 00 37.77 B
ATOM 5396 CA ASP B 336 22.657 71.339 34.716 00 35.69 B
ATOM 5397 CB ASP B 336 24.147 71.254 35.079 00 38.86 B
ATOM 5398 CG ASP B 336 24.657 72.504 35.761 1.00 39.48 B
ATOM 5399 ODl ASP B 336 24.537 72.588 37.004 1.00 39.86 B
ATOM 5400 OD2 ASP B 336 25.173 73.402 35.057 1.00 35.44 B
ATOM 5401 C ASP B 336 21.802 71.688 35.922 1.00 37.49 B
ATOM 5402 O ASP B 336 21.551 72.853 36.188 .00 39.78 B
ATOM 5403 N VAL B 337 21.340 70.677 36.643 00 39.02 B
ATOM 5404 CA VAL B 337 20.467 70.901 37.786 .00 39.74 B
ATOM 5405 CB VAL B 337 18.990 70.898 37.317 .00 42.50 B
ATOM 5406 CGl VAL B 337 18.730 69.673 36.476 .00 47.31
ATOM 5407 CG2 VAL B 337 18.049 70.937 38.504 .00 39.59 B
ATOM 5408 C VAL B 337 20.668 69.868 38.896 .00 35.95 B
ATOM 5409 O VAL B 337 20.882 68.682 38.633 .00 34.23 B
ATOM 5410 N THR B 338 20.594 70.336 40.138 .00 32.12 B
ATOM 5411 CA THR B 338 20.788 69.489 41.303 .00 33.66 B
ATOM 5412 CB THR B 338 20.782 70.321 42.596 ,00 35.36 B
ATOM 5413 OGl THR B 338 21.631 71.465 42.441 .00 42.88 B
ATOM 5414 CG2 THR B 338 21.279 69.492 43.756 .00 28.69 B
ATOM 5415 C THR B 338 19.716 68.419 41.426 .00 36.57 B
ATOM 5416 O THR B 338 18.544 68.646 41.109 .00 43.04 B
ATOM 5417 N GLY B 339 20.124 67.251 41.898 .00 38.82 B
ATOM 5418 CA GLY B 339 19.182 66.164 42.069 1.00 43.40 B
ATOM 5419 C GLY B 339 19.543 65.231 43.211 1.00 41.67 B
ATOM 5420 O GLY B 339 20.713 65.102 43.588 1.00 39.43 B
ATOM 5421 N THR B 340 18.525 64.582 43.765 1.00 41.89 B
ATOM 5422 CA THR B 340 18.718 63.639 44.855 1.00 48.66 B ATOM 5423 CB THR B 340 17.714 63.873 45.988 1.00 54.29 B
ATOM 5424 OGl THR B 340 17.949 65.161 46.573 1.00 60.96 B
ATOM 5425 CG2 THR B 340 17.876 62.807 47.061 1.00 65.44 B
ATOM 5426 C THR B 340 18.544 62.231 44.321 1.00 46.04 B
ATOM 5427 O THR B 340 17.666 61.971 43.501 1.00 48.43 B
ATOM 5428 N ILE B 341 19.381 61.321 44.797 1.00 49.66 B
ATOM 5429 CA ILE B 341 19.337 59.944 44.338 1.00 54.35 B
ATOM 5430 CB ILE B 341 20.746 59.479 43.936 1.00 54.80 B
ATOM 5431 CG2 ILE B 341 20.723 58.008 43.549 1.00 60.26 B
ATOM 5432 CGl ILE B 341 21.262 60.341 42.784 1.00 48.82 B
ATOM 5433 CDl ILE B 341 22.743 60.162 42.510 1.00 46.83 B
ATOM 5434 C ILE B 341 18.774 58.938 45.336 1.00 54.66 B
ATOM 5435 O ILE B 341 19.090 58.968 46.521 1.00 58.49 B
ATOM 5436 N GLU B 342 17.921 58.054 44.832 1.00 57.83 B
ATOM 5437 CA GLU B 342 17.336 56.979 45.624 1.00 55.17 B
ATOM 5438 CB GLU B 342 15.814 56.951 45.471 1.00 52.67 B
ATOM 5439 CG GLU B 342 15.098 57.993 46.317 1.00 63.23 B
ATOM 5440 CD GLU B 342 13.579 57.919 46.201 1.00 66.41 B
ATOM 5441 OEl GLU B 342 13.024 58.384 45.183 1.00 64.73 ' B
ATOM 5442 OE2 GLU B 342 12.940 57.387 47.134 1.00 73.65 B
ATOM 5443 C GLU B 342 17.950 55.700 45.061 1.00 51.90 B
ATOM 5444 O GLU B 342 17.938 55.478 43.849 1.00 53.21 B
ATOM 5445 N LEU B 343 18.510 54.871 45.933 1.00 50.67 B
ATOM 5446 CA LEU B 343 19.149 53.636 45.494 1.00 51.74 B
ATOM 5447 CB LEU B 343 20.373 53.357 46.358 1.00 44.91 B
ATOM 5448 CG LEU B 343 21.507 54.369 46.217 1.00 47.21 B
ATOM 5449 CDl LEU B 343 22.672 53.948 47.102 1.00 49.22 B
ATOM 5450 CD2 LEU B 343 21.947 54.448 44.755 1.00 46.95 B
ATOM 5451 C LEU B 343 18.232 52.421 45.509 1.00 54.84 B
ATOM 5452 O LEU B 343 17.154 52.455 46.105 1.00 54.49 B
ATOM 5453 N PRO B 344 18.646 51.329 44.833 1.00 57.19 B
ATOM 5454 CD PRO B 344 19.834 51.167 43.976 1.00 56.46 B
ATOM 5455 CA PRO B 344 17.823 50.118 44.802 1.00 58.85 B
ATOM 5456 CB PRO B 344 18.632 49.167 43.920 1.00 60.08 B
ATOM 5457 CG PRO B 344 19.384 50.094 43.014 1.00 60.60 B
ATOM 5458 C PRO B 344 17.678 49.588 46.220 1.00 60.94 B
ATOM 5459 O PRO B 344 18.554 49.799 47.058 1.00 58.03 B
ATOM 5460 N GLU B 345 16.569 48.910 46.483 1.00 66.14 B
ATOM 5461 CA GLU B 345 16.305 48.342 47.799 1.00 65.69 B
ATOM 5462 CB GLU B 345 14.992 47.560 47.753 1.00 70.31 B
ATOM 5463 CG GLU B 345 14.615 46.848 49.039 1.00 79.70 B
ATOM 5464 CD GLU B 345 13.257 46.166 48.930 1.00 83.61 B
ATOM 5465 OEl GLU B 345 12.229 46.883 48.898 1.00 82.56 B
ATOM 5466 OE2 GLU B 345 13.220 44.915 48.862 1.00 79.03 B
ATOM 5467 C GLU B 345 17.454 47.431 48.233 1.00 62.92 B
ATOM 5468 O GLU B 345 17.855 46.527 47.497 1.00 61.80 B
ATOM 5469 N GLY B 346 17.990 47.685 49.424 1.00 60.23 B
ATOM 5470 CA GLY B 346 19.086 46.879 49.929 1.00 64.04 B
ATOM 5471 C GLY B 346 20.466 47.444 49.641 1.00 67.30 B
ATOM 5472 O GLY B 346 21.417 47.169 50.375 1.00 65.94 B
ATOM 5473 N VAL B 347 20.585 48.227 48.571 1.00 65.86 B
ATOM 5474 CA VAL B 347 21.865 48.828 48.204 1.00 62.66 B
ATOM 5475 CB VAL B 347 21.855 49.333 46.740 1.00 63.48 B
ATOM 5476 CGl VAL B 347 23.197 49.953 46.400 1.00 57.20 B
ATOM 5477 CG2 VAL B 347 21.546 48.181 45.788 1.00 59.28 B
ATOM 5478 C VAL B 347 22.149 50.004 49.128 1.00 62.86 B
ATOM 5479 O VAL B 347 21.313 50.896 49.280 1.00 65.57 B
ATOM 5480 N GLU B 348 23.327 50.011 49.743 1.00 58.39 B
ATOM 5481 CA GLU B 348 23.683 51.085 50.665 1.00 61.36 B ATOM 5482 CB GLU B 348 24.248 50.503 51.968 1.00 68.62 B
ATOM 5483 CG GLU B 348 23.271 49.630 52.763 1.00 82.65 B
ATOM 5484 CD GLU B 348 22.106 50.417 53.360 1.00 89.20 B
ATOM 5485 OEl GLU B 348 22.360 51.344 54.162 1.00 88.27 B
ATOM 5486 OE2 GLU B 348 20.937 50.103 53.033 1.00 91.62 B
ATOM 5487 C GLU B 348 24.689 52.066 50.077 1.00 59.81 B
ATOM 5488 O GLU B 348 24.720 53.237 50.456 1.00 60.26 B
ATOM 5489 N MET B 349 25.513 51.590 49.152 1.00 58.69 B
ATOM 5490 CA MET B 349 26.513 52.449 48.533 1.00 54.61 B
ATOM 5491 CB MET B 349 27.825 52.365 49.309 1.00 56.43 B
ATOM 5492 CG MET B 349 28.406 50.966 49.373 1.00 59.18 B
ATOM 5493 SD MET B 349 30.130 50.990 49.889 1.00 73.74 B
ATOM 5494 CE MET B 349 29.953 51.101 51.667 1.00 71.78 B
ATOM 5495 C MET B 349 26.781 52.092 47.077 1.00 50.16 B
ATOM 5496 O MET B 349 26.517 50.969 46.637 1.00 54.44 B
ATOM 5497 N VAL B 350 27.308 53.061 46.338 1.00 41.26 B
ATOM 5498 CA VAL B 350 27.649 52.868 44.937 1.00 40.59 B
ATOM 5499 CB VAL B 350 26.932 53.882 44.038 1.00 45.14 B
ATOM 5500 CGl VAL B 350 27.251 53.586 42.577 1.00 49.03 B
ATOM 5501 CG2 VAL B 350 25.419 53.823 44.288 1.00 45.10 B
ATOM 5502 C VAL B 350 29.155 53.059 44.802 1.00 40.64 B
ATOM 5503 O VAL B 350 29.703 54.082 45.214 1.00 34.22 B
ATOM 5504 N MET B 351 29.820 52.064 44.235 1.00 38.59 B
ATOM 5505 CA MET B 351 31.263 52.116 44.064 1.00 40.00 B
ATOM 5506 CB MET B 351 31.860 50.710 44.205 1.00 46.14 B
ATOM 5507 CG MET B 351 31.716 50.064 45.578 1.00 45.82 B
ATOM 5508 SD MET B 351 32.746 50.893 46.813 1.00 52.29 B
ATOM 5509 CE MET B 351 34.383 50.375 46.311 1.00 42.04 B
ATOM 5510 C MET B 351 31.665 52.666 42.704 1.00 41.87 B
ATOM 5511 O MET B 351 30.932 52.516 41.718 1.00 39.41 B
ATOM 5512 N PRO B 352 32.832 53.324 42.637 1.00 38.68 B
ATOM 5513 CD PRO B 352 33.652 53.875 43.729 1.00 31.77 B
ATOM 5514 CA PRO B 352 33.259 53.850 41.341 1.00 41.85 B
ATOM 5515 CB PRO B 352 34.539 54.629 41.673 1.00 42.87 B
ATOM 5516 CG PRO B 352 34.957 54.107 43.037 1.00 41.37 B
ATOM 5517 C PRO B 352 33.505 52.672 40.407 1.00 44.39 B
ATOM 5518 O PRO B 352 34.213 51.734 40.761 1.00 46.05 B
ATOM 5519 N GLY B 353 32.893 52.719 39.227 1.00 42.31 B
ATOM 5520 CA GLY B 353 33.055 51.651 38.261 1.00 41.64 B
ATOM 5521 C GLY B 353 31.803 50.809 38.161 1.00 38.70 B
ATOM 5522 O GLY B 353 31.725 49.922 37.316 1.00 42.59 B
ATOM 5523 N ASP B 354 30.822 51.102 39.013 1.00 34.96 B
ATOM 5524 CA ASP B 354 29.562 50.360 39.045 1.00 41.63 B
ATOM 5525 CB ASP B 354 28.984 50.332 40.464 1.00 45.51 B
ATOM 5526 CG ASP B 354 29.793 49.473 41.426 1.00 56.78 B
ATOM 5527 ODl ASP B 354 29.490 49.526 42.640 1.00 50.76 B
ATOM 5528 OD2 ASP B 354 30.717 48.751 40.980 1.00 57.61 B
ATOM 5529 C ASP B 354 28.477 50.917 38.145 1.00 40.90 B
ATOM 5530 O ASP B 354 28.388 52.123 37.943 1.00 37.33 B
ATOM 5531 N ASN B 355 27.649 50.018 37.625 1.00 44.05 B
ATOM 5532 CA ASN B 355 26.512 50.383 36.789 1.00 52.09 B
ATOM 5533 CB ASN B 355 26.342 49.395 35.637 1.00 49.70 B
ATOM 5534 CG ASN B 355 27.313 49.652 34.507 1.00 55.01 B
ATOM 5535 ODl ASN B 355 27.157 50.611 33.751 1.00 61.51 B
ATOM 5536 ND2 ASN B 355 28.330 48.802 34.390 1.00 57.21 B
ATOM 5537 C ASN B 355 25.356 50.246 37.759 1.00 55.09 B
ATOM 5538 O ASN B 355 25.278 49.258 38.483 1.00 60.73 B
ATOM 5539 N ILE B 356 24.460 51.220 37.793 1.00 56.54 B
ATOM 5540 CA ILE B 356 23.355 51.135 38.733 1.00 57.27 B ATOM 5541 CB ILE B 356 23.776 51.728 40.085 1.00 59.32 B
ATOM 5542 CG2 ILE B 356 24.096 53.204 39.922 1.00 57.13 B
ATOM 5543 CGl ILE B 356 22.661 51.534 41.108 1.00 63.67 B
ATOM 5544 CDl ILE B 356 23.034 51.966 42.497 1.00 59.35 B
ATOM 5545 C ILE B 356 22.077 51.826 38.276 1.00 55.89 B
ATOM 5546 O ILE B 356 22.124 52.789 37.511 1.00 60.00 B
ATOM 5547 N LYS B 357 20.940 51.311 38.738 1.00 55.03 B
ATOM 5548 CA LYS B 357 19.640 51.890 38.414 1.00 59.02 B
ATOM 5549 CB LYS B 357 18.555 50.818 38.268 1.00 62.79 B
ATOM 5550 CG LYS B 357 18.744 49.831 37.126 1.00 71.86 B
ATOM 5551 CD LYS B 357 17.436 49.076 36.872 1.00 76.96 B
ATOM 5552 CE LYS B 357 17.623 47.896 35.926 1.00 78.69 B
ATOM 5553 NZ LYS B 357 18.470 46.825 36.528 1.00 75.37 B
ATOM 5554 C LYS B 357 19.295 52.761 39.601 1.00 56.15 B
ATOM 5555 O LYS B 357 19.323 52.291 40.734 1.00 59.92 B
ATOM 5556 N MET B 358 18.986 54.028 39.355 1.00 52.69 B
ATOM 5557 CA MET B 358 18.641 54.932 40.440 1.00 50.18 B
ATOM 5558 CB MET B 358 19.855 55.765 40.859 1.00 53.98 B
ATOM 5559 CG MET B 358 20.593 56.438 39.726 1.00 63.04 B
ATOM 5560 SD MET B 358 22.052 57.349 40.318 1.00 65.87 B
ATOM 5561 CE MET B 358 21.671 58.988 39.681 1.00 64.95 B
ATOM 5562 C MET B 358 17.497 55.850 40.086 1.00 47.68 B
ATOM 5563 O MET B 358 17.329 56.237 38.934 1.00 52.08 B
ATOM 5564 N VAL B 359 16.688 56.182 41.083 1.00 42.56 B
ATOM 5565 CA VAL B 359 15.571 57.078 40.856 1.00 42.29 B
ATOM 5566 CB VAL B 359 14.365 56.668 41.689 1.00 40.68 B
ATOM 5567 CGl VAL B 359 13.178 57.554 41.351 1.00 35.97 B
ATOM 5568 CG2 VAL B 359 14.043 55.203 41.418 1.00 41.34 B
ATOM 5569 C VAL B 359 16.052 58.466 41.251 1.00 44.62 B
ATOM 5570 O VAL B 359 16.488 58.692 42.382 1.00 45.80 B
ATOM 5571 N VAL B 360 15.989 59.394 40.307 1.00 44.62 B
ATOM 5572 CA VAL B 360 16.468 60.740 40.551 1.00 44.24 B
ATOM 5573 CB VAL B 360 17.398 61.192 39.401 1.00 46.86 B
ATOM 5574 CGl VAL B 360 17.891 62.609 39.649 1.00 45.00 B
ATOM 5575 CG2 VAL B 360 18.565 60.228 39.274 1.00 42.36 B
ATOM 5576 C VAL B 360 15.367 61.771 40.712 1.00 48.63 B
ATOM 5577 O VAL B 360 14.352 61.740 40.005 1.00 49.75 B
ATOM 5578 N THR B 361 15.576 62.689 41.650 1.00 45.73 B
ATOM 5579 CA THR B 361 14.616 63.752 41.879 1.00 44.68 B
ATOM 5580 CB THR B 361 13.969 63.647 43.266 1.00 47.82 B
ATOM 5581 OGl THR B 361 13.345 62.364 43.414 1.00 50.01 B
ATOM 5582 CG2 THR B 361 12.914 64.725 43.426 1.00 42.92 B
ATOM 5583 C THR B 361 15.329 65.092 41.755 1.00 48.37 B
ATOM 5584 O THR B 361 16.166 65.447 42.591 1.00 50.81 B
ATOM 5585 N LEU B 362 14.996 65.822 40.695 1.00 43.20 B
ATOM 5586 CA LEU B 362 15.577 67.130 40.407 1.00 43.62 B
ATOM 5587 CB LEU B 362 15.393 67.453 38.923 1.00 42.61 B
ATOM 5588 CG LEU B 362 16.386 66.975 37.862 1.00 42.84 B
ATOM 5589 CDl LEU B 362 17.223 65.819 38.352 1.00 36.02 B
ATOM 5590 CD2 LEU B 362 15.600 66.614 36.608 1.00 36.04 B
ATOM 5591 C LEU B 362 14.908 68.216 41.235 1.00 42.09 B
ATOM 5592 O LEU B 362 13.744 68.082 41.599 1.00 45.91 B
ATOM 5593 N ILE B 363 15.634 69.295 41.524 1.00 44.85 B
ATOM 5594 CA ILE B 363 15.060 70.392 42.303 1.00 45.49 B
ATOM 5595 CB ILE B 363 16.131 71.357 42.820 1.00 49.96 B
ATOM 5596 CG2 ILE B 363 16.662 70.868 44.149 1.00 47.64 B
ATOM 5597 CGl ILE B 363 17.244 71.497 41.788 1.00 61.45 B
ATOM 5598 CDl ILE B 363 18.386 72.359 42.255 1.00 72.04 B
ATOM 5599 C ILE B 363 14.041 71.168 41.492 1.00 44.47 B 00077
117
ATOM 5600 O ILE B 363 13.214 71.880 42.056 .00 50.34 B
ATOM 5601 N HIS B 364 14.114 71.044 40.170 .00 41.28 B
ATOM 5602 CA HIS B 364 13.139 71.686 39.288 .00 44.46 B
ATOM 5603 CB HIS B 364 13.518 73.153 38.978 .00 40.46 B
ATOM 5604 CG HIS B 364 14.648 73.329 38.009 , 00 42.80 B
ATOM 5605 CD2 HIS B 364 14.813 72.898 36.736 .00 36.95 B
ATOM 5606 NDl HIS B 364 15.745 74.119 38.289 1.00 43.74 B
ATOM 5607 CEl HIS B 364 16.533 74.168 37.231 00 42.93 B
ATOM 5608 NE2 HIS B 364 15.991 73.436 36.274 00 40.71 B
ATOM 5609 C HIS B 364 12.994 70.851 38.015 00 46.83 B
ATOM 5610 O HIS B 364 13.878 70.052 37.688 00 48.12 B
ATOM 5611 N PRO B 365 11.864 71.001 37.300 00 43.28 B
ATOM 5612 CD PRO B 365 10.650 71.709 37.742 00 47.64 B
ATOM 5613 CA PRO B 365 11.602 70.255 36.066 00 44.92 B
ATOM 5614 CB PRO B 365 10.153 70.622 35.737 1.00 49.32 B
ATOM 5615 CG PRO B 365 9.558 70.900 37.085 00 50.52 B
ATOM 5616 C PRO B 365 12.531 70.550 34.900 00 41.77 B
ATOM 5617 O PRO B 365 13.033 71.661 34.757 00 44.82 B
ATOM 5618 N ILE B 366 12.735 69.526 34.072 00 42.31 B
ATOM 5619 CA ILE B 366 13.564 69.585 32.865 1.00 40.14 B
ATOM 5620 CB ILE B 366 14.928 68.875 33.075 00 33.33 B
ATOM 5621 CG2 ILE B 366 15.504 68.421 31.747 00 38.11 B
ATOM 5622 CGl ILE B 366 15.901 69.818 33.793 00 46.83 B
ATOM 5623 CDl ILE B 366 16.360 71.003 32.959 00 36.81 B
ATOM 5624 C ILE B 366 12.774 68.847 31.781 00 41.82 B
ATOM 5625 O ILE B 366 12.086 67.868 32.069 00 39.37 B
ATOM 5626 N ALA B 367 12.854 69.325 30.545 00 40.12 B
ATOM 5627 CA ALA B 367 12.140 68.685 29.446 00 40.97 B
ATOM 5628 CB ALA B 367 12.137 69.602 28.210 00 31.93 B
ATOM 5629 C ALA B 367 12.869 67.384 29.151 00 39.94 B
ATOM 5630 O ALA B 367 14.081 67.381 28.960 00 47.73 B
ATOM 5631 Kl MET B 368 12.147 66.271 29.130 00 40.73 B
ATOM 5632 CA MET B 368 12.804 64.992 28.872 00 42.03 B
ATOM 5633 CB MET B 368 13.582 64.533 30.108 00 36.33 B
ATOM 5634 CG MET B 368 12.703 64.200 31.293 00 40.62 B
ATOM 5635 SD MET B 368 13.624 63.391 32.612 00 45.91 B
ATOM 5636 CE MET B 368 14.281 64.836 33.481 00 54.04 B
ATOM 5637 C MET B 368 11.864 63.874 28.451 00 41.10 B
ATOM 5638 O MET B 368 10.641 63.982 28.561 00 41.27 B
ATOM 5639 N ASP B 369 12.470 62.795 27.973 00 37.75 B
ATOM 5640 CA ASP B 369 11.757 61.619 27.521 00 42.31 B
ATOM 5641 CB ASP B 369 11.334 61.793 26.061 00 47.85 B
ATOM 5642 CG ASP B 369 9.848 61.530 25.851 00 64.71 B
ATOM 5643 ODl ASP B 369 9.379 60.433 26.242 00 69.77 B
ATOM 5644 OD2 ASP B 369 9.151 62.416 25.298 00 62.62 B
ATOM 5645 C ASP B 369 12.715 60.436 27.656 00 44.76 B
ATOM 5646 O ASP B 369 13.925 60.626 27.785 00 43.59 B
ATOM 5647 N ASP B 370 12.184 59.217 27.633 00 47.00 B
ATOM 5648 CA ASP B 370 13.030 58.030 27.754 00 44.96 B
ATOM 5649 CB ASP B 370 12.198 56.756 27.574 1.00 50.41 B
ATOM 5650 CG ASP B 370 11.094 56.625 28.619 1.00 57.81 B
ATOM 5651 ODl ASP B 370 11.388 56.784 29.820 1.00 59.59 B
ATOM 5652 OD2 ASP B 370 9.931 56.357 28.248 1.00 63.93 B
ATOM 5653 C ASP B 370 14.129 58.085 26.706 00 38.84 B
ATOM 5654 O ASP B 370 13.889 58.502 25.576 1.00 42.18
ATOM 5655 N GLY B 371 15.336 57.682 27.093 00 33.78 B
ATOM 5656 CA GLY B 371 16.455 57.702 26.169 00 32.89 B
ATOM 5657 C GLY B 371 17.375 58.909 26.257 00 35.42 B
ATOM 5658 O GLY B 371 18.506 58.846 25.780 1.00 40.62 B f) L
ATOM 5659 N LEU B 372 16.915 60.000 26.863 00 30.97 B
ATOM 5660 CA LEU B 372 17.733 61.204 26.969 00 32.30 B
ATOM 5661 CB LEU B 372 16.935 62.342 27.625 00 28.41 B
ATOM 5662 CG LEU B 372 17.745 63.618 27.895 00 32.07 B
ATOM 5663 CDl LEU B 372 18.300 64.147 26.579 00 30.94 B
ATOM 5664 CD2 LEU B 372 16.873 64.671 28.552 00 33.95 B
ATOM 5665 C LEU B 372 19.021 60.957 27.759 00 35.33 B
ATOM 5666 O LEU B 372 18.986 60.475 28.897 00 37.05 B
ATOM 5667 N ARG B 373 20.154 61.288 27.146 00 37.26 B 0 ATOM 5668 CA ARG B 373 21.459 61.125 27.779 00 42.50 B
ATOM 5669 CB ARG B 373 22.561 61.105 26.718 00 51.33 B
ATOM 5670 CG ARG B 373 22.378 60.055 25.638 1.00 66.97 B
ATOM 5671 CD ARG B 373 23.101 60.475 24.356 00 76.53 B
ATOM 5672 NE ARG B 373 24.509 60.144 24.313 00 85.09 B 5 ATOM 5673 CZ ARG B 373 25.444 60.728 23.567 00 87.12 B
ATOM 5674 NHl ARG B 373 25.178 61.742 22.748 00 87.68 B
ATOM 5675 NH2 ARG B 373 26.675 60.247 23.631 00 85.34 B
ATOM 5676 C ARG B 373 21.726 62.285 28.746 00 41.24 B
ATOM 5677 O ARG B 373 21.202 63.393 28.583 1.00 38.66 B 0 ATOM 5678 N PHE B 374 22.533 62.020 29.764 1.00 38.86 B
ATOM 5679 CA PHE B 374 22.885 63.047 30.731 1.00 38.61 B
ATOM 5680 CB PHE B 374 21.774 63.236 31.762 .00 31.48 B
ATOM 5681 CG PHE B 374 21.558 62.045 32.660 .00 40.82 B
ATOM 5682 CDl PHE B 374 20.604 61.076 32.341 .00 38.95 B 5 ATOM 5683 CD2 PHE B 374 22.281 61.912 33.850 .00 38.09
ATOM 5684 CEl PHE B 374 20.366 59.995 33.199 .00 42.62 B
ATOM 5685 CE2 PHE B 374 22.054 60.835 34.718 .00 35.91 B
ATOM 5686 CZ PHE B 374 21.092 59.874 34.393 .00 38.82 B
ATOM 5687 C PHE B 374 24.165 62.663 31.435 .00 37.53 B 0 ATOM 5688 O PHE B 374 24.523 61.490 31.486 .00 44.87 B
ATOM 5689 N ALA B 375 24.854 63.659 31.975 .00 36.37 B
ATOM 5690 CA ALA B 375 26.097 63.421 32.692 .00 34.22 B
ATOM 5691 CB ALA B 375 27.233 64.215 32.057 .00 24.48 B
ATOM 5692 C ALA B 375 25.907 63.846 34.147 .00 37.49 B 5 ATOM 5693 O ALA B 375 25.042 64.669 34.454 1.00 37.27 B
ATOM 5694 N ILE B 376 26.705 63.269 35.042 1.00 34.43 B
ATOM 5695 CA ILE B 376 26.634 63.608 36.458 1.00 31.13 B
ATOM 5696 CB ILE B 376 26.361 62.366 37.320 00 35.81 B
ATOM 5697 CG2 ILE B 376 26.239 62.762 38.791 00 32.35 B 0 ATOM 5698 CGl ILE B 376 25.073 61.688 36.861 00 35.82 B
ATOM 5699 CDl ILE B 376 24.702 60.469 37.704 00 44.59 B
ATOM 5700 C ILE B 376 27.976 64.201 36.873 00 32.27
ATOM 5701 O ILE B 376 29.030 63.563 36.732 00 28.63
ATOM 5702 N ARG B 377 27.942 65.426 37.378 00 29.13 B 5 ATOM 5703 CA ARG B 377 29.167 66.086 37.796 00 32.97 B
ATOM 5704 CB ARG B 377 29.494 67.259 36.874 00 28.33 B
ATOM 5705 CG ARG B 377 29.654 66.848 35.428 00 42.33 B
ATOM 5706 CD ARG B 377 30.563 67.808 34.683 00 43.34 B
ATOM 5707 NE ARG B 377 31.981 67.586 34.964 00 41.37 B 0 ATOM 5708 CZ ARG B 377 32.791 68.518 35.449 00 46.64 B
ATOM 5709 NHl ARG B 377 34.071 68.241 35.666 00 48.82 B
ATOM 5710 NH2 ARG B 377 32.313 69.728 35.726 1.00 48.93 B
ATOM 5711 C ARG B 377 29.057 66.572 39.221 00 33.71 B
ATOM 5712 O ARG B 377 27.998 67.014 39.672 00 36.05 B 5 ATOM 5713 N GLU B 378 30.169 66.504 39.931 00 36.14 B
ATOM 5714 CA GLU B 378 30.160 66.916 41.314 00 42.45 B
ATOM 5715 CB GLU B 378 29.382 65.873 42.132 00 42.62 B
ATOM 5716 CG GLU B 378 29.081 66.269 43.568 00 53.28 B
ATOM 5717 CD GLU B 378 30.258 66.048 44.489 1.00 57.07 B ATOM 5718 OEl GLU B 378 30.530 66.947 45.308 00 61.76 B
ATOM 5719 OE2 GLU B 378 30.903 64.976 44.399 00 58.57 B
ATOM 5720 C GLU B 378 31.583 67.070 41.831 00 41.99 B
ATOM 5721 O GLU B 378 32.481 66.326 41.439 00 43.48 B
ATOM 5722 N GLY B 379 31.781 68.056 42.700 00 47.34 B
ATOM 5723 CA GLY B 379 33.087 68.283 43.289 00 48.29 B
ATOM 5724 C GLY B 379 34.207 68.610 42.324 00 53.53 B
ATOM 5725 O GLY B 379 35.377 68.387 42.643 1.00 55.83 B
ATOM 5726 N GLY B 380 33.860 69.131 41.150 1.00 50.30 B
ATOM 5727 CA GLY B 380 34.880 69.487 40.178 1.00 49.94 B
ATOM 5728 C GLY B 380 35.235 68.439 39.135 .00 47.70 B
ATOM 5729 O GLY B 380 36.155 68.645 38.343 .00 52.20 B
ATOM 5730 N ARG B 381 34.529 67.314 39.123 .00 45.87 B
ATOM 5731 CA ARG B 381 34.813 66.285 38.132 .00 44.67 B
ATOM 5732 CB ARG B 381 35.875 65.320 38.647 .00 48.98 B
ATOM 5733 CG ARG B 381 35.398 64.341 39.699 .00 53.33 B
ATOM 5734 CD ARG B 381 36.533 63.391 40.009 .00 59.65 B
ATOM 5735 NE ARG B 381 36.796 63.288 41.437 .00 65.23 B
ATOM 5736 CZ ARG B 381 37.995 63.036 41.951 .00 65.79 B
ATOM 5737 NHl ARG B 381 38.146 62.952 43.265 .00 53.17 B
ATOM 5738 NH2 ARG B 381 39.046 62.888 41.149 .00 66.73 B
ATOM 5739 C ARG B 381 33.584 65.498 37.694 .00 39.94 B
ATOM 5740 O ARG B 381 32.513 65.604 38.291 .00 42.67 B
ATOM 5741 N THR B 382 33.748 64.720 36.629 1.00 37.72 B
ATOM 5742 CA THR B 382 32.663 63.909 36.103 , 00 38.80 B
ATOM 5743 CB THR B 382 32.905 63.555 34.628 .00 35.76 B
ATOM 5744 OGl THR B 382 33.010 64.763 33.862 , 00 37.78 B
ATOM 5745 CG2 THR B 382 31.758 62.727 34.089 , 00 35.09 B
ATOM 5746 C THR B 382 32.560 62.627 36.922 .00 39.73 B
ATOM 5747 O THR B 382 33.535 61.899 37.079 .00 37.65 B
ATOM 5748 N VAL B 383 31.370 62.362 37.444 , 00 39.72 B
ATOM 5749 CA VAL B 383 31.144 61.182 38.263 .00 38.73 B
ATOM 5750 CB VAL B 383 30.410 61.563 39.562 .00 41.44 B
ATOM 5751 CGl VAL B 383 29.927 60.307 40.271 1.00 35.38 B
ATOM 5752 CG2 VAL B 383 31.351 62.367 40.462 1.00 28.79 B
ATOM 5753 C VAL B 383 30.355 60.091 37.554 1.00 39.58 B
ATOM 5754 O VAL B 383 30.556 58.905 37.810 1.00 38.23 B
ATOM 5755 N GLY B 384 29.458 60.484 36.659 1.00 37.33 B
ATOM 5756 CA GLY B 384 28.676 59.482 35.967 1.00 37.93 B
ATOM 5757 C GLY B 384 28.154 59.886 34.611 1.00 32.27 B
ATOM 5758 O GLY B 384 28.099 61.060 34.272 1.00 36.44 B
ATOM 5759 N ALA B 385 27.775 58.883 33.835 1.00 35.99 B
ATOM 5760 CA ALA B 385 27.229 59.079 32.502 1.00 37.13 B
ATOM 5761 CB ALA B 385 28.272 58.729 31.436 1.00 27.30 B
ATOM 5762 C ALA B 385 26.062 58.116 32.428 1.00 38.62 B
ATOM 5763 O ALA B 385 26.244 56.911 32.562 1.00 47.35 B
ATOM 5764 N GLY B 386 24.861 58.643 32.239 1.00 39.12 B
ATOM 5765 CA GLY B 386 23.714 57.771 32.160 1.00 35.96
ATOM 5766 C GLY B 386 22.737 58.174 31.084 1.00 38.88 B
ATOM 5767 O GLY B 386 23.011 59.042 30.249 1.00 40.30 B
ATOM 5768 N VAL B 387 21.580 57.533 31.117 1.00 38.63 B
ATOM 5769 CA VAL B 387 20.529 57.803 30.164 1.00 44.72 B
ATOM 5770 CB VAL B 387 20.620 56.827 28.972 1.00 48.40 B
ATOM 5771 CGl VAL B 387 20.455 55.400 29.461 1.00 47.74 B
ATOM 5772 CG2 VAL B 387 19.566 57.170 27.930 00 54.26 B
ATOM 5773 C VAL B 387 19.216 57.606 30.905 00 42.13 B
ATOM 5774 O VAL B 387 19.129 56.759 31.791 1.00 43.13 B
ATOM 5775 N VAL B 388 18.206 58.399 30.566 1.00 39.53 B
ATOM 5776 CA VAL B 388 16.910 58.267 31.225 1.00 41.21 B ATOM 5777 CB VAL B 388 16.006 59.484 30.912 1.00 36.90 B
ATOM 5778 CGl VAL B 388 14.661 59.333 31.591 1.00 35.93 B
ATOM 5779 CG2 VAL B 388 16.691 60.754 31.390 , 00 30.70 B
ATOM 5780 C VAL B 388 16.256 56.963 30.756 .00 42.87 B
ATOM 5781 O VAL B 388 16.169 56.688 29.557 .00 39.40 B
ATOM 5782 N ALA B 389 15.821 56.147 31.709 .00 40.98 B
ATOM 5783 CA ALA B 389 15.197 54.869 31.380 .00 48.61 B
ATOM 5784 CB ALA B 389 15.666 53.788 32.347 .00 50.21 B
ATOM 5785 C ALA B 389 13.685 54.966 31.414 1.00 47.27 B
ATOM 5786 O ALA B 389 13.003 54.488 30.509 00 51.07 B
ATOM 5787 N LYS B 390 13.163 55.588 32.462 00 47.81 B
ATOM 5788 CA LYS B 390 11.726 55.741 32.607 00 49.53 B
ATOM 5789 CB LYS B 390 11.154 54.572 33.406 1.00 51.65 B
ATOM 5790 CG LYS B 390 9.644 54.606 33.560 00 63.08 B
ATOM 5791 CD LYS B 390 9.109 53.232 33.932 00 71.80 B
ATOM 5792 CE LYS B 390 9.433 52.211 32.832 00 81.46 B
ATOM 5793 NZ LYS B 390 8.874 50.847 33.098 00 85.79 B
ATOM 5794 C LYS B 390 11.366 57.057 33.276 1.00 47.76 B
ATOM 5795 O LYS B 390 11.828 57.371 34.371 00 50.79 B
ATOM 5796 N VAL B 391 10.532 57.826 32.597 00 44.00 B
ATOM 5797 CA VAL B 391 10.092 59.116 33.092 00 46.47 B
ATOM 5798 CB VAL B 391 9.608 59.982 31.908 00 47.64 B
ATOM 5799 CGl VAL B 391 8.240 60.537 32.181 00 48.07 B
ATOM 5800 CG2 VAL B 391 10.615 61.079 31.627 00 45.62 B
ATOM 5801 C VAL B 391 8.973 58.885 34.096 00 49.38 B
ATOM 5802 O VAL B 391 8.098 58.052 33.870 00 52.53 B
ATOM 5803 N LEU B 392 9.005 59.613 35.208 00 56.19 B
ATOM 5804 CA LEU B 392 7.993 59.462 36.251 00 60.67 B
ATOM 5805 CB LEU B 392 8.640 58.953 37.545 00 50.98 B
ATOM 5806 CG LEU B 392 9.467 57.667 37.488 00 47.03 B
ATOM 5807 CDl LEU B 392 10.097 57.406 38.839 00 38.64 B
ATOM 5808 CD2 LEU B 392 8.592 56.505 37.087 00 45.67 B
ATOM 5809 C LEU B 392 7.263 60.772 36.541 00 67.51 B
ATOM 5810 O LEU B 392 6..104 60.946 36.166 00 69.88 B
ATOM 5811 N SER B 393 7.962 61.683 37.214 00 75.97 B
ATOM 5812 CA SER B 393 7.429 62.991 37.598 00 79.77 B
ATOM 5813 CB SER B 393 8.003 64.086 36.704 1.00 76.67 B
ATOM 5814 OG SER B 393 7.559 65.361 37.135 .00 77.80 B
ATOM 5815 C SER B 393 5.905 63.070 37.580 .00 83.47 B
ATOM 5816 OTl SER B 393 5.357 63.880 36.798 1.00 85.97 B
ATOM 5817 OT2 SER B 393 5.278 62.319 38.358 1.00 85.72 B
ATOM 5818 PG GNP B 394 43.451 80.816 27.118 1.00 40.07 B
ATOM 5819 OGl GNP B 394 42.165 80.934 26.348 1.00 32.33 B
ATOM 5820 OG2 GNP B 394 43.582 79.404 27.484 1.00 40.84 B
ATOM 5821 OG3 GNP B 394 43.395 81.859 28.224 1.00 49.63 B
ATOM 5822 NB3 GNP B 394 44.629 81.200 26.004 1.00 35.96
ATOM 5823 PB GNP B 394 44.697 80.799 24.412 1.00 34.86 B
ATOM 5824 OBl GNP B 394 45.046 79.348 24.240 00 25.69 B
ATOM 5825 OB2 GNP B 394 43.412 81.171 23.704 00 30.74 B
ATOM 5826 OA3 GNP B 394 45.921 81.675 23.862 00 37.31 B
ATOM 5827 PA GNP B 394 45.941 82.981 22.926 1.00 36.19 B
ATOM 5828 OAl GNP B 394 45.394 82.695 21.572 00 38.25 B
ATOM 5829 OA2 GNP B 394 45.225 84.083 23.665 00 35.51 B
ATOM 5830 05* GNP B 394 47.498 83.207 22.839 1.00 31.98 B
ATOM 5831 C5* GNP B 394 48.346 83.188 23.991 1.00 33.65 B
ATOM 5832 C4* GNP B 394 49.643 83.894 23.682 1.00 35.86 B
ATOM 5833 04* GNP B 394 50.569 83.161 22.825 1.00 33.95 B
ATOM 5834 C3* GNP B 394 49.549 85.300 23.028 1.00 42.87 B
ATOM 5835 03* GNP B 394 50.512 86.223 23.531 1.00 37.85 B ATOM 5836 C2 * GNP B 394 49.742 85.033 21.560 00 40.98 B ATOM 5837 02 * GNP B 394 50.221 86.114 20.768 00 50.68 B ATOM 5838 Cl* GNP B 394 50.691 83.831 21.583 00 34.21 B ATOM 5839 N9 GNP B 394 50.571 82.968 20.406 00 32.88 B ATOM 5840 C8 GNP B 394 49.447 82.355 19.885 00 28.63 B ATOM 5841 N7 GNP B 394 49.691 81.658 18.808 00 30.78 B ATOM 5842 C5 GNP B 394 51.044 81.811 18.595 00 26.11 B ATOM 5843 C6 GNP B 394 51.895 81.283 17.559 1.00 34.10 B ATOM 5844 06 GNP B 394 51.564 80.557 16.617 .00 45.59 B ATOM 5845 Nl GNP B 394 53.259 81.683 17.699 .00 31.64 B ATOM 5846 C2 GNP B 394 53.739 82.503 18.728 .00 37.31 B ATOM 5847 N2 GNP B 394 55.049 82.792 18.718 .00 37.22 B ATOM 5848 N3 GNP B 394 52.931 83.003 19.709 .00 33.61 B ATOM 5849 C4 GNP B 394 51.609 82.617 19.574 .00 33.81 B ATOM 5850 MG+2 MG2 B 395 41.738 81.953 24.568 .00 33.53 B ATOM 5851 Cl ENX B 396 24.578 67.723 28.369 .00 65.76 B ATOM 5852 C2 ENX B 396 25.637 66.775 28.877 .00 69.80 B ATOM 5853 C3 ENX B 396 25.785 65.595 27.990 .00 65.35 B ATOM 5854 C4 ENX B 396 26.666 64.613 28.200 .00 55.04 B ATOM 5855 C5 ENX B 396 26.803 63.433 27.279 1.00 47.21 B ATOM 5856 C6 ENX B 396 27.637 62.267 27.905 , 00 42.34 B ATOM 5857 C7 ENX B 396 27.794 61.079 26.916 , 00 43.31 B ATOM 5858 C8 ENX B 396 28.634 59.931 27.500 .00 51.58 B ATOM 5859 C9 ENX B 396 28.977 58.846 26.497 , 00 52.68 B ATOM 5860 ClO ENX B 396 29.699 57.599 27.022 , 00 49.21 B ATOM 5861 CIl ENX B 396 30.901 58.011 27.924 1.00 43.27 B ATOM 5862 C12 ENX B 396 31.589 56.810 28.644 , 00 39.74 B ATOM 5863 C13 ENX B 396 32.785 57.285 29.450 , 00 33.33 B ATOM 5864 C14 ENX B 396 34.042 56.913 29.129 , 00 27.55 B ATOM 5865 C15 ENX B 396 35.253 57.324 29.810 00 35.33 B ATOM 5866 C16 ENX B 396 36.477 56.906 29.438 .00 32.81 B ATOM 5867 C17 ENX B 396 37.660 57.352 30.120 .00 26.26 B ATOM 5868 C18 ENX B 396 38.936 56.999 29.855 1.00 40.03 B ATOM 5869 C19 ENX B 396 39.991 57.626 30.667 1.00 32.92 B ATOM 5870 C20 ENX B 396 41.330 57.444 30.555 1.00 38.31 B ATOM 5871 C21 ENX B 396 42.252 57.903 31.577 1.00 43.22 B ATOM 5872 C22 ENX B 396 43.590 57.749 31.480 1.00 43.33 B ATOM 5873 C23 ENX B 396 44.535 58.412 32.405 00 49.56 B ATOM 5874 024 ENX B 396 43.915 59.290 33.301 00 45.18 B ATOM 5875 C25 ENX B 396 44.720 60.015 34.284 00 54.33 B ATOM 5876 C26 ENX B 396 44.944 59.074 35.491 1.00 53.19 B ATOM 5877 C27 ENX B 396 43.602 58.727 36.172 00 59.78 B ATOM 5878 C28 ENX B 396 43.815 57.811 37.366 00 64.36 B ATOM 5879 029 ENX B 396 27.391 63.873 26.023 1.00 56.45 B ATOM 5880 CL30 ENX B 396 26.864 61.757 29.426 1.00 42 B ATOM 5881 031 ENX B 396 26.489 60.591 26.594 1.00 44.44 ATOM 5882 032 ENX B 396 30.145 56.794 25.942 00 51.08 B ATOM 5883 033 ENX B 396 31.805 58.709 27.062 00 47.35 B ATOM 5884 C34 ENX B 396 30.599 56.073 29.557 00 37.18 B ATOM 5885 CL35 ENX B 396 32.460 58.338 30.773 00 27.56 B ATOM 5886 C36 ENX B 396 39.341 56.033 28.776 00 32.93 B ATOM 5887 037 ENX B 396 45.770 58.266 32.460 00 59.96 B ATOM 5888 C38 ENX B 396 43.992 61.298 34.759 00 54.85 B ATOM 5889 C39 ENX B 396 42.641 60.971 35.431 00 58.66 B ATOM 5890 C40 ENX B 396 42.858 60.013 36.614 00 57.48 B ATOM 5891 041 ENX B 396 43.738 62.187 33.683 00 49.43 B ATOM 5892 C42 ENX B 396 26.583 64.060 24.888 00 59.70 B ATOM 5893 N43 ENX B 396 27.312 64.410 23.787 00 56.76 B ATOM 5894 044 ENX B 396 25.338 63.911 24.932 1.00 61.54 B 6000077
122
ATOM 5895 045 ENX B 396 28.696 58.918 25.292 1.00 64.22 B
ATOM 5896 046 ENX B 396 44.026 58.094 38.557 1.00 68.01 B
ATOM 5897 047 ENX B 396 43.763 56.475 37.063 00 62.32 B
ATOM 5898 OH2 WAT S 1 17.979 85.175 58.399 00 21.79 S
ATOM 5899 OH2 WAT S 2 32.180 82.691 34.696 00 26.02 S
ATOM 5900 OH2 WAT S 3 31.864 72.573 45.111 00 36.45 S
ATOM 5901 OH2 WAT S 4 14.372 63.879 25.478 1.00 21.29 S
ATOM 5902 OH2 WAT S 5 18.683 77.275. 55.059 00 26.46 S
ATOM 5903 OH2 WAT S 6 35.950 60.017 61.389 00 33.52 S
ATOM 5904 OH2 WAT S 7 33.787 70.992 83.142 00 30.40 S
ATOM 5905 OH2 WAT S 8 41.424 62.914 6.573 00 22.55 S
ATOM 5906 OH2 WAT S 9 29.474 61.979 79.184 00 27.10 S
ATOM 5907 OH2 WAT S 10 42.846 76.745 77.924 00 28.48 S
ATOM 5908 OH2 WAT S 11 27.579 60.718 49.785 00 29.99 S
ATOM 5909 OH2 WAT S 12 40.568 80.345 23.869 00 28.98 S
ATOM 5910 OH2 WAT S 13 45.511 64.934 60.218 00 28.20 S
ATOM 5911 OH2 WAT S 14 50.121 65.890 76.336 00 38.83 S
ATOM 5912 OH2 WAT S 15 37.750 82.900 44.932 00 33.81 S
ATOM 5913 OH2 WAT S 16 47.342 72.269 25.087 00 30.74 S
ATOM 5914 OH2 WAT S 17 39.983 61.214 16.257 00 28.27 S
ATOM 5915 OH2 WAT S 18 8.112 69.895 14.044 00 37.24 S
ATOM 5916 OH2 WAT S 19 49.961 78.509 10.558 00 29.62 S
ATOM 5917 OH2 WAT S 20 44.817 58.871 74.924 1.00 31.88 S
ATOM 5918 OH2 WAT S 21 40.880 74.306 3.059 1.00 31.06 S
ATOM 5919 OH2 WAT S 22 41.614 80.578 67.522 1.00 32.44 S
ATOM 5920 OH2 WAT S 23 42.142 61.958 17.204 00 33.00 S
ATOM 5921 OH2 WAT S 24 41.764 62.659 50.159 00 40.23 S
ATOM 5922 OH2 WAT S 25 42.251 80.479 30.368 00 28.59 S
ATOM 5923 OH2 WAT S 26 33.025 58.433 39.812 00 35.65 S
ATOM 5924 OH2 WAT S 27 34.207 80.678 36.039 00 38.19 S
ATOM 5925 OH2 WAT S 28 42.658 83.677 24.729 1.00 30.02 S
ATOM 5926 OH2 WAT S 29 8.254 63.676 27.611 1.00 40.23 S
ATOM 5927 OH2 WAT S 30 48.522 89.580 15.637 .00 41.09 S
ATOM 5928 OH2 WAT S 31 39.839 82.827 25.301 .00 31.02 S
ATOM 5929 OH2 WAT S 32 38.117 59.610 17.228 1.00 34.36 S
ATOM 5930 OH2 WAT S 33 48.228 60.318 56.499 00 76.19 S
ATOM 5931 OH2 WAT S 34 28.646 71.313 64.154 00 41.40 S
ATOM 5932 OH2 WAT S 35 50.994 66.028 31.001 00 50.96 S
ATOM 5933 OH2 WAT S 36 16.295 86.432 60.449 00 37.13 S
ATOM 5934 OH2 WAT S 37 44.519 75.236 34.924 00 49.12 S
ATOM 5935 OH2 WAT S 38 17.748 70.739 29.306 00 26.75 S
ATOM 5936 OH2 WAT S 39 45.832 86.147 7.111 00 31.16 S
ATOM 5937 OH2 WAT S 40 34.521 58.126 59.870 00 31.24 S
ATOM 5938 OH2 WAT S 41 33.794 52.637 30.292 00 51.18 S
ATOM 5939 OH2 WAT S 42 30.808 65.858 21.169 1.00 31.30 S
ATOM 5940 OH2 WAT S 43 30.221 62.272 48.776 .00 43.51 S
ATOM 5941 OH2 WAT S 44 41.253 52.241 83.782 .00 41.17 S
ATOM 5942 OH2 WAT S 45 31.124 72.791 40.672 .00 48.37 S
ATOM 5943 OH2 WAT S 46 18.216 79.925 55.996 , 00 33.44 S
ATOM 5944 OH2 WAT S 47 16.409 68.515 28.215 1.00 27.58 S
ATOM 5945 OH2 WAT S 48 32.730 88.978 53.778 1.00 43.58 S
ATOM 5946 OH2 WAT S 49 32.409 77.559 63.092 1.00 30.58 S
ATOM 5947 OH2 WAT S 50 45.697 89.153 7.146 00 35.65 S
ATOM 5948 OH2 WAT S 51 37.118 68.684 81.976 00 37.77 S
ATOM 5949 OH2 WAT S 52 44.522 50.570 83.185 00 40.77 S
ATOM 5950 OH2 WAT S 53 8.401 78.789 52.484 1.00 41.29 S
ATOM 5951 OH2 WAT S 54 17.922 76.614 5.847 1.00 45.61 S
ATOM 5952 OH2 WAT S 55 41.002 80.678 74.482 1.00 31.14 S
ATOM 5953 OH2 WAT S 56 14.856 77.716 54.149 1.00 34.89 S ATOM 5954 OH2 WAT S 57 31.467 70.061 39.754 1.00 28.34 S
ATOM 5955 OH2 WAT S 58 35.790 83.550 7.498 00 38.00 S
ATOM 5956 OH2 WAT S 59 41.459 91.702 44.012 00 48.70 S
ATOM 5957 OH2 WAT S 60 52.004 75.960 74.209 00 56.07 S
ATOM 5958 OH2 WAT S 61 39.464 85.010 17.884 00 34.93 S
ATOM 5959 OH2 WAT S 62 34.109 58.636 16.721 00 44.43 S
ATOM 5960 OH2 WAT S 63 31.922 80.182 62.023 00 47.06 S
ATOM 5961 OH2 WAT S 64 31.962 84.980 12.997 00 41.30 S
ATOM 5962 OH2 WAT S 65 40.890 74.666 38.920 00 49.51 S
ATOM 5963 OH2 WAT S 66 23.858 84.792 60.119 1.00 36.29 S
ATOM 5964 OH2 WAT S 67 29.765 59.953 77.459 , 00 39.49 S
ATOM 5965 OH2 WAT S 68 43.603 78.378 45.600 .00 45.26 S
ATOM 5966 OH2 WAT S 69 42.522 78.148 67.987 1.00 34.53 S
ATOM 5967 OH2 WAT S 70 43.408 70.209 80.071 00 29.04 S
ATOM 5968 OH2 WAT S 71 16.064 72.754 76.750 00 52.50 S
ATOM 5969 OH2 WAT S 72 21.077 73.646 44.233 1.00 34.67 S
ATOM 5970 OH2 WAT S 73 30.310 96.576 44.304 00 59.50 S
ATOM 5971 OH2 WAT S 74 44.449 76.559 67.201 00 41.67 S
ATOM 5972 OH2 WAT S 75 34.783 81.970 5.495 1.00 44.48 S
ATOM 5973 OH2 WAT S 76 30.965 63.989 14.128 00 38.70 S
ATOM 5974 OH2 WAT S 77 0.386 71.043 59.742 00 51.14 S
ATOM 5975 OH2 WAT S 78 27.933 71.746 37.958 00 49.77 S
ATOM 5976 OH2 WAT S 79 25.182 58.699 28.681 00 37.41 S
ATOM 5977 OH2 WAT S 80 9.004 66.555 75.049 00 48.24 S
ATOM 5978 OH2 WAT S 81 48.453 73.948 34.677 00 42.74 S
ATOM 5979 OH2 WAT S 82 47.671 53.115 62.811 00 36.06 S
ATOM 5980 OH2 WAT S 83 10.116 68.959 12.251 00 43.32 S
ATOM 5981 OH2 WAT S 84 41.610 82.263 63.144 00 41.65 S
ATOM 5982 OH2 WAT S 85 53.176 78.259 25.240 00 44.02 S
ATOM 5983 OH2 WAT S 86 30.125 85.845 55.396 00 39.46 S
ATOM 5984 OH2 WAT S 87 44.510 81.036 71.272 00 32.75 S
ATOM 5985 OH2 WAT S 88 51.242 51.959 76.148 00 47.43 S
ATOM 5986 OH2 WAT S 89 12.438 83.589 63.738 00 51.29 S
ATOM 5987 OH2 WAT S 90 8.229 72.942 14.070 00 34.58 S
ATOM 5988 OH2 WAT S 91 26.632 78.767 75.969 00 38.81 S
ATOM 5989 OH2 WAT S 92 20.225 87.914 40.003 00 38.68 S
ATOM 5990 OH2 WAT S 93 45.680 54.944 16.930 1.00 44.44 S
ATOM 5991 OH2 WAT S 94 8.205 78.045 29.964 .00 47.53 S
ATOM 5992 OH2 WAT S 95 35.762 71.770 1.421 .00 46.98 S
ATOM 5993 OH2 WAT S 96 47.195 87.220 19.829 .00 49.51 S
ATOM 5994 OH2 WAT S 97 44.616 86.645 44.157 .00 47.13 S
ATOM 5995 OH2 WAT S 98 3.344 70.652 29.609 .00 58.63 S
ATOM 5996 OH2 WAT S 99 45.485 83.251 0.983 .00 32.94 S
ATOM 5997 OH2 WAT S 100 22.101 84.364 26.938 1.00 43.44 S
ATOM 5998 OH2 WAT S 101 42.488 73.035 80.790 1.00 37.96 S
ATOM 5999 OH2 WAT S 102 38.739 83.514 67.417 1.00 41.37 S
ATOM 6000 OH2 WAT S 103 27.252 65.958 19.042 ,00 60.57 S
ATOM 6001 OH2 WAT S 104 57.842 67.137 27.836 ,00 66.62 S
ATOM 6002 OH2 WAT S 105 49.834 86.467 2.093 .00 38.18 S
ATOM 6003 OH2 WAT S 106 30.424 80.384 65.215 .00 45.17 S
ATOM 6004 OH2 WAT S 107 29.266 73.128 20.619 ,00 35.85 S
ATOM 6005 OH2 WAT S 108 45.766 83.721 70.427 1.00 36.20 S
ATOM 6006 OH2 WAT S 109 15.061 61.409 11.121 1.00 46.21 S
ATOM 6007 OH2 WAT S 110 30.576 74.072 18.174 .00 33.68 S
ATOM 6008 OH2 WAT S 111 36.840 58.375 22.416 .00 47.06 S
ATOM 6009 OH2 WAT S 112 36.757 69.024 84.411 1.00 60.96 S
ATOM 6010 OH2 WAT S 113 38.313 56.721 84.410 1.00 37.54 S
ATOM 6011 OH2 WAT S 114 38.895 82.021 62.595 1.00 46.77 S
ATOM 6012 OH2 WAT S 115 9.824 67.920 20.001 1.00 35.90 S 2006/000077
124
ATOM 6013 OH2 WAT S 116 28.555 64.316 15.385 1.00 44.52 S
ATOM 6014 OH2 WAT S 117 41.160 56.145 84.025 1.00 30.55 S
ATOM 6015 OH2 WAT S 118 51.024 68.603 53.619 1.00 50.74 S
ATOM 6016 OH2 WAT S 119 25.989 65.508 48.071 1.00 45.43 S
ATOM 6017 OH2 WAT S 120 29.033 78.977 36.231 1.00 39.33 S
ATOM 6018 OH2 WAT S 121 19.634 82.247 30.459 1.00 38.19 S
ATOM 6019 OH2 WAT S 122 20.533 73.047 62.784 1.00 47.20 S
ATOM 6020 OH2 WAT S 123 39.036 76.375 48.832 1.00 34.81 S
ATOM 6021 OH2 WAT S 124 42.908 66.729 3.936 1.00 39.47 S
ATOM 6022 OH2 WAT S 125 28.880 69.953 66.429 1.00 28.04 S
ATOM 6023 OH2 WAT S 126 9.964 63.827 23.052 1.00 48.04 S
ATOM 6024 OH2 WAT S 127 33.113 71.449 37.421 1.00 51.62 S
ATOM 6025 OH2 WAT S 128 25.184 69.867 43.709 1.00 44.35 S
ATOM 6026 OH2 WAT S 129 34.534 50.047 35.184 1.00 42.62 S
ATOM 6027 OH2 WAT S 130 48.120 82.907 1.454 1.00 36.40 S
ATOM 6028 OH2 WAT S 131 43.055 57.987 83.629 1.00 38.21 S
ATOM 6029 OH2 WAT S 132 2.616 74.886 14.257 1.00 50.17 S
ATOM 6030 OH2 WAT S 133 52.379 66.439 11.138 1.00 38.76 S
ATOM 6031 OH2 WAT S 134 56.907 72.144 29.376 1.00 49.08 S
ATOM 6032 OH2 WAT S 135 31.814 75.816 82.707 1.00 43.76 S
ATOM 6033 OH2 WAT S 136 31.261 56.280 43.627 1.00 45.28 S
ATOM 6034 OH2 WAT S 137 11.738 83.047 71.628 1.00 40.45 S
ATOM 6035 OH2 WAT S 138 53.450 78.771 65.015 1.00 46.97 S
ATOM 6036 OH2 WAT S 139 53.205 61.234 30.886 1.00 62.34 S
ATOM 6037 OH2 WAT S 140 29.945 58.151 22.685 1.00 56.70 S
ATOM 6038 OH2 WAT S 141 12.318 87.439 56.302 1.00 44.68 S
ATOM 6039 OH2 WAT S 142 27.323 55.316 25.359 1.00 51.97 S
ATOM 6040 OH2 WAT S 143 8.693 80.018 69.698 1.00 46.48 S
ATOM 6041 OH2 WAT S 144 44.550 68.580 4.967 1.00 34.71 S
ATOM 6042 OH2 WAT S 145 6.359 70.178 23.321 1.00 42.77 S
ATOM 6043 OH2 WAT S 146 15.960 73.649 78.860 1.00 48.36 S
ATOM 6044 OH2 WAT S 147 37.303 59.697 9.925 1.00 38.17 S
ATOM 6045 OH2 WAT S 148 35.779 78.562 79.479 1.00 42.94 S
ATOM 6046 OH2 WAT S 149 37.949 87.317 9.233 1.00 62.70 S
ATOM 6047 OH2 WAT S 150 46.332 48.935 72.042 1.00 56.19 S
ATOM 6048 OH2 WAT S 151 25.943 70.793 18.695 1.00 63.96 S
ATOM 6049 OH2 WAT S 152 49.126 80.571 1.768 1.00 31.83 S
ATOM 6050 OH2 WAT S 153 9.973 86.248 70.764 1.00 44.29 S
ATOM 6051 OH2 WAT S 154 40.239 83.566 27.800 1.00 39.62 S
ATOM 6052 OH2 WAT S 155 39.921 73.856 48.360 1.00 48.04 S
ATOM 6053 OH2 WAT S 156 50.555 58.979 31.973 1.00 45.30 S
ATOM 6054 OH2 WAT S 157 39.136 75.240 30.688 1.00 47.43 S
ATOM 6055 OH2 WAT S 158 24.530 57.069 25.710 1.00 50.55 S
ATOM 6056 OH2 WAT S 159 21.588 48.558 40.142 1.00 43.54 S
ATOM 6057 OH2 WAT S 160 28.620 70.106 42.827 1.00 48.96 S
ATOM 6058 OH2 WAT S 161 49.505 77.824 42.636 1.00 56.31 S
ATOM 6059 OH2 WAT S 162 20.063 62.041 24.188 1.00 46.07 S
ATOM 6060 OH2 WAT S 163 37.404 57.961 19.499 1.00 42.89 S
ATOM 6061 OH2 WAT S 164 25.264 77.088 74.465 1.00 44.08 S
ATOM 6062 OH2 WAT S 165 9.565 53.768 40.665 1.00 52.10 S
ATOM 6063 OH2 WAT S 166 54.848 72.080 71.936 1.00 49.89 S
ATOM 6064 OH2 WAT S 167 42.845 82.619 32.504 1.00 61.30 S
ATOM 6065 OH2 WAT S 168 57.681 82.424 6.961 1.00 45.25 S
ATOM 6066 OH2 WAT S 169 59.416 81.528 10.772 1.00 50.66 S
ATOM 6067 OH2 WAT S 170 25.376 73.442 32.255 1.00 50.55 S
ATOM 6068 OH2 WAT S 171 56.651 83.130 3.352 1.00 59.69 S
ATOM 6069 OH2 WAT S 172 20.689 73.423 40.020 1.00 40.04 S
ATOM 6070 OH2 WAT S 173 40.150 52.777 39.054 1.00 39.70 S
ATOM 6071 OH2 WAT S 174 32.192 97.007 46.856 1.00 59.52 S ATOM 6072 OH2 WAT S 175 54.995 77.896 57.540 1.00 54.06 S
ATOM 6073 OH2 WAT S 176 43.169 89.547 6.003 1.00 40.26 S
ATOM 6074 OH2 WAT S 177 36.341 55.276 57.688 1.00 37.14 S
ATOM 6075 OH2 WAT S 178 34.505 74.233 37.677 1.00 47.66 S
ATOM 6076 OH2 WAT S 179 4.056 69.861 26.335 1.00 44.32 S
ATOM 6077 OH2 WAT S 180 4.398 66.271 32.934 1.00 52.30 S
ATOM 6078 OH2 WAT S 181 1.034 72.544 54.967 1.00 55.72 S
References
Berchtold, H., Reshetnikova, L Reiser, C, Schirmer, N., Sprinzl, M. and Hilgenfeld, R., (1993) Crystal structure of active elongation factor Tu reveals major domain rearrangements. Nature, 365, 126-132; Fischer, E., Wolf, Hantke, K., Parmeggiani, A. (1977) Kirromycin-Resistant elongation Factor Tu in an E. coli Mutant Altered in Both tuf Genes, Proc. Natl. Acad,
Sci. U.S.A . 74, 4341-4345;
Kjeldgaard, M. and Nyborg, 3., (1992) Refined structure of elongation factor EF-Tu from Escherichia coli, J. MoI. Biol. 223, 721-742. Kjeldgaard, M., Nissen, P., Thirup, S. and Nyborg, J., (1993) The crystal structure of elongation factor EF-Tu from Thermus aquaticus in the GTP conformation, Structure
1, 35-50;
Kristensen, O., Reshetnikova, L., Nissen, P., Siboska, G., Thirup, S. and Nyborg J., (1996) Isolation, crystallization and X-ray analysis of the quaternary complex of Phe-tRNA(Phe), EF-Tu, a GTP analog and kirromycin, FEBS Lett. 399, 59-62. Navaza J. (2001) Implementation of molecular replacement in AMoRe, Acta
Crystallog. 57,1367-1372;
Vogeley, L., Palm, GJ., Mesters, G. R. and Hilgenfeld, R., (2001) Conformational change of elongation factor Tu (EF-Tu) induced by antibiotic binding. Crystal structure of the complex between EF-Tu»GDP and aurodox. J. Biol. Chem. 276,149- 155;
Zuurmond, A. -M., Olsthoom-Tieleman, L. N., Martien de Graaf, J., Parmeggiani, A., and Kraal, B. (1999) Mutant EF-Tu species reval novel features of the enacyloxin II a inhibition mechanism on the ribosome, J. MoI. Biol. 294, 627-637

Claims

1. A method for rational drug design by evaluating the potential of a chemical entity to associate with: a) a molecule or molecular complex comprising a binding pocket defined by structure coordinates of EF-Tu domain 1 and 3 amino acids Argl23, Glnl24, and Tyrl60; or b) a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Angstroms comprising the steps of:
(i) employing computational means to perform a fitting operation between the chemical entity and the binding pocket of the molecule or molecular complex; and (ii) analysing the results of said fitting operation to quantify the association between the chemical entity and the binding pocket.
2. A method for rational drug design by evaluating the potential of a chemical entity to associate with: a) a molecule or molecular complex comprising a binding pocket defined by structure coordinates of EF-Tu domain 1 and 3 amino acids Argl23, Glnl24, Vall25, Tyrl60, Arg333, Arg373, Phe374, and Ala375; or b) a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Angstroms comprising the steps of:
(i) employing computational means to perform a fitting operation between the chemical entity and the binding pocket of the molecule or molecular complex; and (ii) analysing the results of said fitting operation to quantify the association between the chemical entity and the binding pocket.
3. A method according to claim 2, wherein said chemical entity can associate with said binding pocket such that the binding distances with amino acids Argl23, Glnl24, and TyrlδO are less than 3.75 Angstroms and binding distances with amino acids Vall25, Arg333, Arg373, Phe374, and Ala375 are 2 to 3.8 Angstroms.
4. A method according to claim 3, wherein said chemical entity can associate with said binding pocket such that the binding distances with amino acids Argl23, Glnl24, and Tyrl60 are 2.0 to 3.5 Angstroms and binding distances with amino acids Vall25, Arg333, Arg373, Phe374, and Ala375 are 3.5 to 3.8 Angstroms.
PCT/DK2006/000077 2005-02-09 2006-02-09 Method of rational drug design based on binding ability with elongation factor tu WO2006084471A2 (en)

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WO2021155459A1 (en) * 2020-02-03 2021-08-12 Her Majesty The Queen In Right Of Canada, As Represented By The Minister Of Agriculture And Agri-Food Improved processes for rationally-designing and producing biomolecules

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