Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase

FIELD OF THE INVENTION

[0001] The present invention relates to isoprenoid biosynthesis and notably to 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthases involved in that pathway and inhibitors of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthases, that may be used as antibiotics against pathogenic eubacteria and the protozoon Plasmodium falciparum. More specifically, the present invention relates to the crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase of E. coli in complex with substrate, substrate analogs and products and to methods of designing and identifying inhibitors of this enzyme. Moreover, the present invention relates to novel inhibitors detectable by said methods as well as compositions and processes for inhibiting the synthesis of isoprenoids and for controlling the growth of organisms based on said inhibitors. The

BACKGROUND OF THE INVENTION

[0002] By the classical research of Bloch, Cornforth, Lynen and co-workers, isopentenyl pyrophosphate (IPP) and dimethylallyl pyrophosphate (DMAPP) have become established as key intermediates in the biosynthesis of isoprenoids via mevalonate. Bacterial, plants and the protozoon Plasmodium falciparum synthesize isoprenoids by an alternative pathway via 1-deoxy-D-xylulose 5-phosphate. This non-mevalonate pathway has so far only been partially explored (FIG. 1). For a better understanding of these aspects of the invention, the pathway shall be briefly explained. It can be conceptualized to consist of three segments:

[0003] In a first pathway segment shown in FIG. 1 pyruvate (1) is condensed with glyceraldehyde 3-phosphate (2) to 1-deoxy-D-xylulose 5-phosphate (DXP) (3). Subsequently, DXP is converted into 2C-methyl-D-erythritol 4-phosphate (MEP) (4) by a two-step reaction comprising a rearrangement and a reduction. This established the 5-carbon isoprenoid skeleton.

[0004] In the subsequent segment of the non-mevalonate pathway (FIG. 1), MEP (4) is first condensed with CTP to 4-diphosphocytidyl-2C-methyl-D-erythritol (CDP-ME) (5) by 4-diphosphocytidyl-2C-methyl-D-erythritol synthase (PCT/EP00/07548). CDP-ME (5) is subsequently ATP-dependent phosphorylated by 4-diphosphocytidyl-2C-methyl-D-erythritol kinase yielding 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate (CDP-MEP) (6). The intermediate is subsequently converted into 2C-methyl-D-erythritol 2,4-cyclodiphosphate (cMEPP) (7) by 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. These three enzymatic steps form a biosynthetic unit which activates the isoprenoid C5-skeleton for the third pathway segment (Rohdich et al., 1999; Lüttgen et al., 2000; Herz et al., 2000).

[0005] For numerous pathogenic eubacteria as well as for the malaria parasite P. falciparum, the enzymes involved in the non-mevalonate pathway are essential. The intermediates of the non-mevalonate pathway can not be assimilated from the environment by pathogenic eubacteria and P. falciparum. The enzymes of the alternative isoprenoid pathway do not occur in mammalia which synthesize their isoprenoids and terpenoids exclusively via the mevalonate pathway. Moreover, the idiosyncratic nature of the reactions in this pathway reduces the risk of cross-inhibitions with other, notably mammalian enzymes. Therefore, the enzymes of the alternative pathway seemed to be specially suited as targets for novel agents against pathogenic bacteria and protozoa. Among the enzymes of the non-mevalonate pathway, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase seems to be especially suited for the development of new inhibitors, because its reaction mechanism and reaction product are unique in animal and plant kingdoms and numerous possibilities for the design of transition state and intermediate analogues are opened. To aid in finding inhibitors of the non-mevalonate pathway, a crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase is highly desired.

[0006] Therefore, it is an object of this invention to provide crystals comprising 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase suitable for three-dimensional structure elucidation by crystallographic means and methods for obtaining such crystals.

[0007] Further, it is an object of this invention to provide methods for identifying inhibitors of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase based on the 3D structure of said synthase.

[0008] It is another object of this invention to provide compounds which are inhibitors of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase.

SUMMARY OF THE INVENTION

[0009] These Objects are Achieved by:

[0010] A crystal which comprises the protein 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with or without zinc. The crystal preferably has the cubic space group I 2(1)3 and a unit cell with a=144.5±2 Å. This crystal preferably diffracts x-rays effectively for the determination of the atomic coordinates of the protein to a resolution better than 5 Å, more preferably better than 3.5 Å. The crystal may comprise an organic compound selected from the group of 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate.

[0011] A method of growing a crystal comprising the protein 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase and zinc by vapor diffusion uses a reservoir solution containing 0.1 M HEPES pH 7.5 and 2 M ammonium formate.

[0012] Use of a crystal as described above for the determination of the three-dimensional structure of the protein 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase or the three-dimensional structure of said synthase in complex with a compound selected from the group of 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate; with or without zinc.

[0013] A data storage device having stored thereon atomic coordinates of the three-dimensional structure of the protein 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase or of the three-dimensional structure of said protein in complex with a compound selected from the group of 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate; with or without zinc.

[0014] A method of using 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase and atomic coordinates of the three-dimensional structure of said synthase or of a complex of said synthase with a compound selected from the following group: 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate, with or without zinc, derived from a crystal structure determination in an inhibitor-screening assay, comprising:

[0015] (a) selecting a potential inhibitor by performing rational drug design using said atomic coordinates in conjunction with computer modelling;

[0016] (b) contacting the potential inhibitor with said synthase with or without zinc; and

[0017] (c) detecting binding of the potential inhibitor to said synthase or detecting inhibition of enzymatic activity of said synthase by the potential inhibitor.

[0018] Binding may be detected by soaking the crystal with the potential inhibitor or by growing the crystal in the presence of the potential inhibitor and determining the three-dimensional structure of the complex comprising the synthase and the potential inhibitor with or without zinc.

[0019] A method of identifying a potential inhibitor of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase by determining binding interactions between the potential inhibitor and a set of binding interaction sites in a binding cavity of said synthase complexed with a compound selected from the group consisting of 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate, with or without zinc, comprising

[0020] (a) generating the binding cavity on a computer screen,

[0021] (b) generating potential inhibitors with their spatial structure on the computer screen, and

[0022] (c) selecting potential inhibitors that can bind to at least 3 amino acid residues without steric interference.

[0023] A computer-assisted method for identifying potential inhibitors of the protein 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase using a programmed computer comprising a processor, a data storage system, a data input device, and a data output device, comprising the following steps:

[0024] (a) inputting into the programmed computer through said input device data comprising: atomic coordinates of a subset of the atoms of a complex of said protein with a compound selected from the following group: 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate, with or without zinc, thereby generating a criteria data set;

[0025] (b) comparing, using said processor, the criteria data set to a computer data base of low-molecular weight organic chemical structures stored in the data storage system; and

[0026] (c) selecting from said data base, using computer methods, a chemical structure having a portion that is structurally complementary to the criteria data set pertaining to the protein and/or structurally similar to the criteria data set pertaining to a compound of said group and being free of steric interference with the protein.

[0027] A computer-assisted method for identifying potential inhibitors of the protein 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase using a programmed computer comprising a processor, a data storage system, a data input device, and a data output device, comprising the following steps:

[0028] (a) inputting into the programmed computer through said input device data comprising: atomic coordinates of a subset of the atoms of a complex of said protein with a compound selected from the following group: 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate with or without zinc, thereby generating a criteria data set; and

[0029] (b) constructing, using computer methods, a model of a chemical structure having a portion that is structurally complementary to the criteria data set pertaining to the protein and/or structurally similar to the criteria data set pertaining to a compound of said group and being free of steric interference with the protein.

[0030] A method of identifying a candidate inhibitor capable of binding to and inhibiting the enzymatic activity of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, said method comprising the following steps:

[0031] (a) introducing into a computer information derived from atomic coordinates defining a conformation of the active site of said synthase or a complex of said synthase with a compound selected from the following group: 4-diphosphocytidyl-2C-methyl-D-erythritol, 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, cytidine, cytidine monophosphate, cytidine diphosphate, 2C-methyl-D-erythritol or a combination of cytidine monophosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate; with or without zinc, based on three-dimensional structure determination, whereby said program utilizes or displays on the computer screen the structures of said conformation;

[0032] (b) generating a three-dimensional representation of at least one of the three pockets of the active site of said synthase and/or a compound of said group by said computer program on a computer screen;

[0033] (c) superimposing a model of a candidate inhibitor on the representation of at least one pocket of the active site and/or a compound of said group;

[0034] (d) assessing the possibility of bonding and the absence of steric interference of the candidate inhibitor with the active site of the protein;

[0035] (e) incorporating said candidate compound in an activity assay of said synthase; and

[0036] (f) determining whether said candidate compound inhibits enzymatic activity of said synthase.

[0037] In the above methods, the atomic coordinates are preferably determined to a resolution of at least 4 Å, more preferably better than 3 Å, and potential inhibitors are selected that can bind to at least 5 binding sites of the synthase.

[0038] Finally, a compound is provided having a chemical structure obtained or obtainable by the above methods, said compound being an inhibitor of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase.

[0039] It has been surprisingly found that protein crystals of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from E. coli can be obtained using the procedures disclosed herein. These crystals are of high quality and are suitable for crystallographic structure determination. According to methods known in the art, the three-dimensional structure of said synthase has been determined (see examples) from a crystal containing zinc and designated “nat2”.

[0040] It has been surprisingly found that 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase tightly binds one zinc ion per monomer of the synthase. This fact provides invaluable information for the understanding of the reaction mechanism of the synthase which in turn is helpful for the rational design of potential inhibitors. Moreover, said synthase forms trimers and the regions on the surface of the monomers involved in interaction with other monomers have been identified.

[0041] Furthermore, the 3D structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase has been determined from crystals soaked with

[0042] (a) cytidine diphosphate (CDP) and magnesium ions giving a crystal named “mgcdp2”;

[0043] (b) 4-diphosphocytidyl-2C-methyl-D-erythritol giving a crystal named “msubop”;

[0044] (c) 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate and EDTA giving a crystal named “subs”;

[0045] (d) 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate in the presence of zinc, which is converted by the synthase to cytidine monophosphate (CMP) and 2C-methyl-D-erythritol 2,4-cyclodiphosphate. This crystal is named “sub2”.

[0046] (e) cytidine giving a crystal named “cyt”.

[0047] In all these cases, the indicated compounds were identified in electron densities of the respective structures.

[0048] Surprisingly, the substrate 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate has been found to bind well-ordered to the synthase without conversion to the products under conditions where bivalent metal ions are complexed by EDTA (crystal subs), thereby identifying the active site of the enzyme. Moreover, the substrate analogs, fragments and products CMP, CDP, cytidine and 4-diphosphocytidyl-2C-methyl-D-erythritol were found to bind to the crystallised synthase, allowing a detailed mapping of active site regions and residues which are responsible for binding certain substrate of product moieties. Specific functions could be assigned to specific active site amino acid residues. Even more surprisingly, it has been found that the substrate is coordinated by amino acid residues from two monomers of the trimeric synthase. Magnesium ions are known to be required for the catalytic activity of said synthase. Herein, the location of a magnesium ion has been identified in the complex of the synthase and CDP.

[0049] On the basis of the crystal structure data and the alignment of putative 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthases from various organisms (FIG. 3), site-directed mutants of the E. coli synthase were prepared and the essential function of certain amino acids could be confirmed. This further highlights the usefulness of knowing the three-dimensional structure of a protein for understanding and manipulating the function of a protein in a rational way.

[0050] Taken together, the three-dimensional structure information disclosed herein has allowed to design methods for identifying potential inhibitors of the synthase employing computer methods of rational drug design and computer modeling. Preferably, structural information of active site residues and/or of bound substrate and/or substrate fragments and products are used for the rational design/computer modelling of potential inhibitors. Potential inhibitors may then be synthesized and their inhibitory potential be tested experimentally. This approach allows the direct design or identification of an inhibitor or reduces the number of compounds which have to be synthesized and to be tested for their inhibitory potential experimentally, since only structures found to be promising in silico are further pursued experimentally. Inhibitors obtained by the methods of this invention may be used as antibiotics against bacteria or protozoa, notably the malaria parasite P. falciparum or as herbicides.

[0051] Once a suitable inhibitor of the synthase has been found, inhibitor-resistant mutants of the synthase may be designed using the 3D structures disclosed herein.

[0052] The accuracy of the coordinates of a protein crystal structure depends on the resolution of the diffraction data used in refinement. The resolution should be such that amino acid side chains in well-ordered regions of the protein can be seen in the electron density maps. The resolution should be at least 5 Å, preferably better than 4 Å, and most preferably at least 3.0 Å. The coordinates provided herein contain experimental error and are limited by the resolution of the diffraction data. Crystallisation conditions may be further improved according to known approaches in protein crystallisation, diffraction data to better resolution may be measured and more accurate coordinates may be obtained. This may e.g. be achieved by using synchrotron radiation, optionally in combination with cryo-crystallography. It has been found that the crystals used herein can easily be frozen by liquid nitrogen. Using the atomic coordinates disclosed herein as starting structure, such an improved structure may be easily obtained. This will change the numerical values of the coordinates in table 2 to some extent but the fold of 2C-methyl-D-erythritol 2,4-cydodiphosphate synthase will remain the same. All 3D structures of the synthase with atomic coordinates the numerical values of which differ only within experimental or computational error, due to a different choice of the coordinate system, due to different experimental conditions or due to a different quality of experimental data are also comprised by the present invention. The same applies to 3D structures derived from different crystal forms or to 3D structures determined by experimental approaches different from crystallography such as NMR or electron microscopy.

[0053] Upon binding of a molecule to said synthase, the structure of the synthase may undergo changes. Often, such changes are limited to amino acid side chain conformations but whole groups of amino acids including their peptide back bone may move as well, particularly amino acids in a flexible loop. Such altered conformations are also comprised by this invention as long as the overall fold of the protein remains the same. The six structures disclosed herein provide a framework of conformational states assumable by the synthase in the absence and presence of substrate, substrate analogs and products. When performing rational drug design or computer modelling, at least the conformation of amino acid side chains will also be varied in the process of finding a potential inhibitor. Preferred and less-preferred side chain conformations (torsion angles) are known in the art.

[0054] Herein, the E. coli protein has been used to determine the structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. This invention relates also to said synthases from other organisms. Although orthologous proteins from various organisms may differ considerably in the primary structure (compare sequence alignment of FIG. 3), the fold and active site architecture typically remain essentially the same; Active site residues necessary for the function of a protein are conserved. As a consequence, inhibitors found according to the methods of this invention using the 3D structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from E. coli will also be inhibitors of orthologous synthases from organisms other than E. coli. This invention therefore comprises proteins with root mean square deviations from the E. coli synthase structure over protein backbone atoms or better over all non-hydrogen atoms of not more than 3 Å, preferably not more than 2 Å and most preferably not more than 1 Å. The 3D structures of such related proteins may easily be obtained by homology modeling using the 3D structures of this invention. Practically, other proteins comprised by this invention may be those whose crystal structures can be solved by molecular replacement using the coordinates of the E. coli synthase of this invention.

[0055] The crystals used herein belong to the cubic space group I2(1)3 with unit cell parameter a≈144.5 Å. However, other crystal forms may also be used to determine the 3D structure of the synthase if they are of sufficient quality for diffraction experiments. A structure from another crystal form may preferably be solved using molecular replacement with the atomic coordinates disclosed herein as a starting model. The structure of the synthase as determined from another crystal form may differ to some extent from the structures disclosed herein. Such differences will however be limited essentially to surface amino acid residues involved in crystal packing. The crystals of space group I2(1)3 used herein feature the important advantage that the active site of the synthase is easily accessible to substrate and analogs thereof or inhibitors, which allows soaking experiments and the determination of the synthase in complex with low molecular weigth organic compounds. The synthase used for crystallisation optionally contains zinc in order to be in an active form. Extra zinc may be added during crystallisation.

[0056] Crystallisation may be done by any method known in the art like batch methods or vapour diffusion methods. Hanging- or sitting-drop vapour diffusion methods are preferred. The 3D structure of the synthase in complex with an inhibitor may be solved by preparing a crystal containing the synthase in complex with the inhibitor. This may be achieved by co-crystallizing the synthase with the inhibitor or by soaking a crystal of the synthase not containing an inhibitor in mother liquor containing an excess of the inhibitor of interest for a suitable time. Prior to collection of diffraction data, crystals may be frozen according to known methods of cryo-crystallography, preferably after treatment of the crystal with a suitable cryo protectant.

[0057] After the structure of the synthase has been solved and refined, the atomic coordinates may be stored on a computer-readable-data storage device for further use.

SHORT DESCRIPTION OF THE FIGURES, TABLES, ENCLOSED CD-ROM and ANNEXES

[0058]
FIG. 1:

[0059] Biosynthesis of both isoprenoid precursors isopentenyl pyrophosphate and dimethylallyl pyrophosphate via the alternative pathway.

[0060]
FIG. 2:

[0061] Enzyme activities of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase of E. coli.

[0062]
FIG. 3:

[0063] Alignment of amino acid sequences of putative 2C-Methyl-D-erythritol-2,4-cyclodiphosphate synthases from various organisms. A, Streptomyces sp.; B, Mycobacterium tuberculosis; C, Haemophilus influenzae; D, . coli; E, Vibrio cholerae; F, Pseudomonas aeruginosa; G, B. subtilis; H, Neisseria meningitidis; I, Xylella fastidiosa; J, Synechocystis sp.; K, Buchnera sp.; L, Aquifex aeolicus; M, A. thaliana; N, Thermotoga maritima; O, Deinococcus radiodurans; P, P. falciparum; Q, Chiamydia muridarum.

[0064]
FIG. 4: Overall fold of the monomer

[0065] (A) Stereo ribbon representation of the structure of the 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase monomer. The four-stranded β-sheet is shown in yellow, the smaller two-stranded β-sheet in orange, α-helices are depicted in red. The bound zinc ion is shown as a pink ball including the coordinating side chains of Asp8, His10 and His42. (B) Cα-trace of the 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase monomer. Every tenth amino acid is shown as a black ball.

[0066]
FIG. 5: Overall fold of the trimer

[0067] (A) Stereo side view of the 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase trimer perpendicular to the trimer axis. The view goes onto the CDP binding site. The monomers are shown in blue, green and ochre. CDP is depicted as a stick model in red. (B) View along the threefold axis. The N- and C-termini point away from the viewer.

[0068]
FIG. 6: Active site structure

[0069] The substrate binding site/active site is composed of two subunits (in ochre and green). CDP is shown as a ball and stick model in dark green. A magnesium ion depicted as a gray ball is liganded by Glu 135 and bridges the α- and β-phosphate of CDP. The phosphate of CDP is bound to a zinc ion (pink ball) coordinated by Asp8, His 10 and His42. Two sequence motifs are involve in substrate binding: the KATTTE-motif (residues 130 to 135) at the C-terminal half of β-strand S5 that contributes Ala131, Thr133 and Glu135 to substrate binding and the DIG-motif (residues 56 to 58) at the N-terminus of α-helix H2 where Asp56 and Gly58 contact the ribose. The presumable binding site for the 2C-methyl-D-erythritol 2-phosphate moiety is formed by Ile57, Leu76, Ser35 adjacent main chain atoms and completed by the loop from Pro62 to Ala71 including Asp63 (shown in red).

[0070]
FIG. 7: Electrostatic and surface properties of the active site. The colour scale goes from blue (negative potential) via green to red (positive potential).

[0071] (A) The active site/substrate binding site consists of three subsites designated I, II and III. The central subsite I accommodates the ribosyl 5′-diphosphate of CDP: (B) The potential subsite for the 2C-methyl-D-erythritol 2-phosphate-moiety is flanked by the highly conserved Ile57 and Ser35. (C) The subsite for the cytidyl-moiety is formed by Lys104, Leu106, Ala131 and Thr133.

[0072]

FIG. 8

[0073] Schematic two-dimensional representation of product binding from the model of complex structure sub2. Interactions of protein residues with CMP and 2C-methyl-D-erythritol 2,4-cyclodiphosphate are depicted as dotted lines along with the nomenclature of product atoms as used in the coordinate file of structure sub2. Distances are given in Å.

[0074]
FIG. 9:

[0075] DNA and deduced amino acid sequences of the ispF gene of Escherichia coli. The positions and directions of oligonucleotides used in PCR reactions for the construction of expression vectors for the expression of the site directed 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase mutant proteins D8S, H10S and H42S are indicated by arrows.

[0076] Table 1 shows statistics of data collection and refinement of the six structures disclosed herein.

[0077] Table 2 gives coordinates of atoms within 10 Å of the bound ligands of structure sub2.

[0078] Annexes 1 to 6 are printouts of coordinate files of structures cyt, mgcdp2, nat2, sub2, subop and subs, respectively.

[0079] Structure sub2 was deposited with the protein data bank (PDB) and can be accessed via www.rcsb.org/pdb using entry number 1JY8.

DETAILED DESCRIPTION OF THE INVENTION

[0080] 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase specified by the ispF gene from E. coli catalyzes the cyclization of 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate 6 to 2C-methyl-D-erythritol 2, 4-cyclodiphosphate 7 (FIG. 2). With lower rate, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase also converts 4-diphosphocytidyl-2C-methyl-D-erythritol 5 into 2C-methyl-D-erythritol 3,4-cyclomonophosphate 10 (Herz et al. 2000). Monomeric 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from E. coli has a molecular weight of 17 kDa (corresponding to 159 amino acids) (Herz et al. 2000). Magnesium ions are necessary for the catalytic activity. The KM and vmax values of the E. coli enzyme are 37 μM and 76 μmol mg−1 min−1, respectively, with 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate as substrate.

3D Structure Solution

[0081] 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase was crystallized in the cubic space group I2(1)3 with a=144.2 Å (in structure nat2). The solvent content is about 84%. A native data set was collected on a rotating anode generator equipped with an MARresearch Image Plate detector up to a resolution of 2.85 Å. Details and statistics of data collection are given in Table 1. For structure solution, a native crystal was incubated with 2 mM mercury(II) acetate in mother liquor for one hour yielding an isomorphous derivative crystal With a single heavy atom site in the asymmetric unit. Heavy atom parameters were refined and phases calculated with the program MLPHARE (Collaborative Computational Project No. 4, 1994). The phasing power was 1.0 (25 to 3.6 Å) with a figure of merit of 0.27 in a resolution range from 20 to 3.6 Å. Phases were improved by solvent flattening using the program DM (Collaborative Computational Project No. 4, 1994). An atomic model was built with the program MAIN (Turk, 1992) and refined with the program X-PLOR (Brünger et al., 1998). The model comprises residues Met1 to Ile155. The electron density is continuous throughout the model with the exception of a short break between Phe61 and Pro62 in a loop structure comprising Phe61 to Lys69. The model of structure nat2 has been refined to an R-value of 22.6% and a free R value of 23.7% calculated with 5% of the reflections in the resolution range 20.0 to 2.85 Å (Table 1).

[0082] The following substrate, substrate analoge and product complexes were determined in order to determine binding of these molecules to the synthase:

[0083] subop: a crystal soaked with 10 mM 4-diphosphocytidyl-2C-methyl-D-erythritol. The zinc atom the water or hydroxyl-group at the zinc is replaced by an oxygen of the beta-phosphate of the diphosphocytidyl-moiety.

[0084] subs: a crystal soaked with 10 mM 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate and 10 mM EDTA, that contains no zinc.

[0085] sub2: a crystal soaked with 10 mM 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate, that containes zinc and the products CMP and 2C-methyl-D-erythritol 2,4-cyclodiphosphate.

[0086] mgcdp2: a crystal soaked with 2 mM CDP and 5 mM MgCl2

[0087] cyt: a crystal soaked with 10 mM cytidine

[0088] Statistics on data collection and refinement for these crystals/structures of the invention are given in Table 1. These structures were determined using the nat2 structure as starting model. Initially a rigid body refinement was carried out followed by positional refinement. Then the substrate, substrate analoge or product molecules were build into the electron density of difference electron density maps, again followed by refinement of atom positions and B-factors.

Overall Description of the 3D Structure

[0089] 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase forms bell-shaped homotrimers with overall dimensions of about 40 Å in height and between 40 and 60 Å in diameter. These molecular trimers are generated by the crystallographic threefold axis from monomers of 17 kDa that represent the asymmetric unit of the crystal. The overall appearance of the trimer is compact but the molecule shows pronounced loop structures surrounding a zinc binding site at the wider end of the trimer opposite to the location of the N- and C-termini. The latter are in direct neighbourhood within each monomer. Analysis of the secondary structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with the program STRIDE (Frishman & Argos, 1995) shows a content of regular secondary structure of 26.5% β-strand and 28.4% α-helix. The secondary structural elements are depicted in FIG. 4 along with the used nomenclature. In the Ramachandran plot, 72.2% of the residues were found in the most favourable, 19.0% in the favourable and 4.8% in the generously allowed region as indicated by the program PROCHECK (Laskowski et al., 1993). The general correctness of the model was further attested by the ‘omit’ density which appeared for the zinc ion and the substrate-like CDP molecule.

Detailed Description of the Monomer

[0090] Each monomer consists of a large four-stranded β-sheet comprised of β-strands S1 and S4 to S6, a small two-stranded β-sheet formed by S2 and S3 and four α-helices H1 to H4 (FIG. 4). The four-stranded β-sheet with the topology 1-4-2-3 and strand directions up-down-up-up is located towards the trimer contacts with strands that run parallel to the trimer axis. α-helices H1 and H4 pack onto this β-sheet which in turn serve as support for α-helix H3. The small β-sheet which is inserted between β-strand S1 and α-helix H1 is oriented towards the solvent and packs on one end of the large β-sheet and between α-helices H1 and H4. α-helix H2 constitutes a single α-helical turn within a loop structure connecting α-helices H1 and H3. The coil region between α-helices H2 and H3 caps a pronounces cavity above the zinc binding site and displays considerable flexibility a shown by the relatively weak electron density and elevated temperature factors.

[0091] 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase shares a structural module comprising the four-stranded β-sheet and two α-helices in the same topology with a number of proteins including the YjgF gene product (Volz, 1999)(PDB entry: 1QU9) (rmsd 3.1 Å for 82 Cα-positions), phosphoribosyl-aminoimidazole synthetase (Li et al., 1999)(1CLI) (rmsd 3.1 Å for 94 Cα-positions) or chorismate mutase (Chook et al., 1993)(2CHS) (rmsd 4.0Å for 73 Cα-positions). YjgF shows an extension of 25 amino acids at the N-terminus compared to 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase that form two additional β-strands, whereas chorismate mutase has a C-terminal extension that creates only one additional β-strand. Interestingly, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, YjgF and chorismate mutase form trimers where the monomer orientation displays a significant tilt due to packing of the additional b-strands.

[0092] In addition, glutamine phosphoribosylpyrophosphate amidotransferase (Muchmore et al., 1998)(1ECF), 5-carboxymethyl-2-hydroxymuconate isomerase (Subramanya et al., 1996)(1OTG) or zinc-dependent cytidine deaminase (Xiang et al., 1995)(1CTT) show also a four-stranded β-sheet with two α-helices packed on one side, however with different topologies within the β-sheet, or a three-stranded β-sheet as in the case of the ribosomal protein L22 (Unge et a., 1998)(1BXE).

Detailed Description of the Trimer

[0093] 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase forms trimers that are generated by an exact crystallographic three-fold axis from the monomers (FIG. 5). The main trimer contacts are formed between the backside of the central four-stranded β-sheets, especially the terminal β-strands S1 and S5. They pack edge on against those of the neighbouring molecules in an almost perpendicular fashion so that no continuous β-barrel is formed from the β-sheets. The edge of β-strand S5 is exposed to the solvent where its C-terminal half contributes to binding of the CDP-moiety of the substrate. The contact between the β-sheets involves hydrophobic interactions (Ile3, Phe7, Val9, Ile99, Phe139, Ile146, Val151, Leu153) but also three internal salt bridges formed between Glu149 and His5 are present in the centre of each β-sheet. These contacts are closer at the C- and N-termini of the trimer whereas the contacts on the opposite side are mainly mediated by the loop that connects β-strands S5 and S6.

The Zinc Binding Site

[0094] During structure analysis of the nat2 structure, it became apparent that a metal ion was coordinated in a distorted tetrahedral geometry by Asp8, His10 and His42 which represent highly conserved residues within the protein family (FIG. 3). Asp8 appears as a bidentate ligand, His10 binds via Nε and His42 via Nδ. The fourth ligand, presumably a water molecule (or hydroxyl ion) in the absence of substrate, can be replaced by chloride as observed in crystals grown from NaCl at pH 9.0 or by the β-phosphate of the substrates CDP-moiety. This ion was identified as tightly bound zinc by atomic absorption spectroscopy as described in the example section. About 0.9 mol zinc were found per mol of synthase monomer. The importance of this zinc ion and of its ligands for the catalytic activity of the synthase was demonstrated by the site-directed mutants Asp8Ser, His10Ser and His42Ser which were all enzymatically inactive. It should be noted that no extra zinc was added in any step from bacterial growth, to protein purification to crystallization for the preparation of the native nat2 crystal.

Identification of the Active Site—Complex with Mg-CDP (Structure mgcdp2)

[0095] The active site was first identified in the structure of the complex between the synthase and cytidine diphosphate (CDP) both in the presence and the absence of magnesium ions (FIG. 6). CDP is a substructure of the substrate 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate. In the crystal form used herein, there are no crystal contacts to symmetry related trimers. This renders this crystal forms particularly suitable for soaking in or cocrystallizing the synthase with potential inhibitors, substrates or substrate analogs without disturbing crystal packing. In this respect, the high solvent content is advantageous as well.

[0096] The binding site for the elongated substrate molecule extends over two adjacent monomers. A pronounced and richly structured cavity that accommodates the substrate is formed opposite to the location of the N- and C-termini of the synthase. It involved the α-helices H1, H2 and adjacent residues, the N-terminus of H3 and parts of the loop connecting H2 and H3 of one molecule and the C-termini of strands S4 and S5 and the loop connecting S4 and α-helix H4 of another molecule. The active site itself is located in the vicinity of the zinc-ion where the β-phosphate of CDP is bound. This phosphate has replaced the water (or hydroxide) as the fouth ligand to the zinc ion, which renders it more nucleophilic. It follows that in the reaction of the synthase with its natural substrate, it will be the phosphate corresponding to the β-phosphate group of CDP that will be attacked by the terminal phosphate group of the substrate as a nucleophile to form the cyclic diphosphate. Therefore, residues in proximity are expected to directly contribute to the enzymatic reaction. Residues near the zinc-ion include the highly conserved residues Ser35, Asp46 and Ile57. The active site is capped by a rather flexible segment comprising residues Pro62 to Ala71 including Asp63 which points towards the β-phosphate of CDP and to Ser35, suggesting a role in catalysis although it is not strictly conserved. Consequently, this flexible segment is better ordered in the complex than in the apo structure. From the position of the β-phosphate of CDP it can be predicted that the 2-methyl-D-erythritol 2-phosphate-moiety of the substrate will be bound in the vicinity of Ser35 and Ile57 and will be in contact to the above mentioned flexible loop.

The KATTTE-Motif

[0097] The β-phosphate of CDP is anchored to the zinc-ion and completes its co-ordination sphere. The α-phosphate is bound by Thr133# (#denotes from another subunit, generated by threefold symmetry) of the KATTTE sequence motif (residues 130 to 135) located at the C-terminal end of β-strand S6. Lys130# forms an internal salt-bridge to Asp95# of the neighbouring β-strand S5 but has no contact to the substrate. The side-chain of Ala131# points onto the side-face of the cytidyl-moiety and thereby helps to position the substrate. The side chain of Thr133# contacts the α-phosphate of the CDP molecule whereas Thr134# is buried in the interior of the protein. In addition, Thr133# supports the cytidyl-moiety, which is further bound by contacts to the side-chains of Lys104# and Leu106#, the latter being badly defined by electron density. N3 forms an H-bond to the peptide amide between Lys104# and Met105#. Glu135# functions as the protein ligand to the magnesium ion that bridges the α- and β-phosphates of CDP.

The DIG-Motif

[0098] The 2′- and 3′-hydroxyl groups of the CDP-ribose are bound to the carbonyl oxygen of Ala131# and by polar contacts to the carboxylate group Asp56 and van der Waals contacts to Gly58. Residue Ile57 forms one side of the cavity surrounding the zinc-ion where the 2C-methyl-D-erythritol 2-phosphate-moiety of substrate will presumably be located. Together these residues form the conserved DIG-motif (residues 56 to 58). The mutant Asp56Ser shows a decreased activity of 35% as compared to the native enzyme which indicates the importance of that contact to the CD β-ribose for binding but also that Asp56 is not directly involved in the enzymatic mechanism.

[0099] The cytidyl-moiety binds to a pocket formed by the C-terminal ends of the β-strands S4 and S5 and the loop structure that connects β-strand S4 and α-helix H4.

Properties of the Active Site/Substrate Binding Site

[0100] Based on the mgcdp2 structure, the active site/substrate binding site can be subdivided into three distinct pockets (FIG. 7): a central pocket that surrounds the ribosyl 5′-diphosphate of CDP (pocket I), a pocket where the 2C-methyl-D-erythritol 2-phosphate-moiety of substrate will bind presumalby (pocket II), and a pocket for the cytidyl-moiety (pocket III). Pocket II is capped by a relatively flexible loop (Pro62 to Ala71) which suggests an induced fit mechanism for the binding of that substrate part. This pocket shows both hydrophobic (Ile57, Leu76) and hydrophilic (Ser35, Ser73 and Asp63) side chains in addition to polar backbone atoms of the contributing amino-acid chain. In contrast, the central and cytidyl-pocket appear rather static and show only minor changes in side chain orientation upon CDP binding for Glu136 and Leu106. The central pocket (I) is deep with the highly conserved Asp46 at its base which is surrounded by Asp56, Gly58 and Ile57. The front entrance to the central cavity is framed by Lys104, The133, Glu135 and Asp63. The cytidyl-moiety is bound to pocket III formed by Ala131, Thr133, Lys104 and Leu106. It is not stacked between side chains but packs only with one face against Ala131.

[0101] Further, important information is drawn from the other complex structures. The complexes allow the description of interaction sites in pocket II which binds 2C-methyl-D-erythritol 2,4-cyclodiphosphate coordinated to zinc and in pocket III where the cytidyl-moiety is anchored. The central pocket I adjacent to the ribose and the diphosphate moiety of CDP is filled by three water molecules (number 506, 507 and 511 in structure sub2).

[0102] Based on the interactions observed in the product complex sub2 a pharmacophore can be described that mimics parts of the substrate and/or product. In detail, the following interaction sites of a potential inhibitor for substrate-like inhibitor molecules can be deduced. These interaction sites may interact with interaction sites of the active site of the synthase. Some of the interactions involved are schematically depicted in FIG. 8.

[0103] Cytosine (Provides Four Interaction Sites):

[0104] carbonyl oxygen at positions 2,

[0105] nitrogen N3,

[0106] the amino group in position 4 and

[0107] the carbon C5.

[0108] These interaction sites interact in a precise H-bonded network and van der Waals contacts with Leu106, Met105, Pro103, Ala100 and Thr133.

[0109] Ribose (Two Interaction Sites):

[0110] C2 and C3 hydroxyl groups bind to the carboxylate group of Asp56, the C3 hydroxyl group forms a van der Waals contact to Cα of Gly58

[0111] CMP Alpha-Phosphate (One Interaction Site):

[0112] contacts the side-chain of Thr133 and a solvent molecule (507) in subsite I.

[0113] Cyclodiphosphate Product (Six Interaction Sites, See Also FIG. 8).

[0114] hydrophobic sites at C4 and C5 interacting with the side chains of Ile57 and Leu76 (FIG. 8). Ile57 is highly conserved.

[0115] hydrophilic sites at the 1-hydroxyl and 3-hydroxyl-groups interacting with Phe61, Ile57

[0116] a hydrophilic/charged site at the P2 phosphate forming hydrogen bonds to His34 and Ser35. In the absence of substrate this site is occupied by a water molecule.

[0117] the beta-phosphate PB which is a ligand to the zinc ion.

[0118] A potential inhibitor molecule may have moieties corresponding to at least three of these interaction sites, especially the hydrogen-bonding network of the cytidyl-moiety, a zinc ligand like the PB phosphate (or similar ligands like carboxylate or a hydroxamic acid moiety) and hydrophobic sites binding the C5-methyl group.

[0119] In addition to these interactions, subsite I that is not occupied by any of the analysed ligand molecules but filled with three water molecules may be used by an inhibitor molecule for interactions.

[0120] The crystals/structures subs, sub2 and cyt demonstrate that coordination to the zinc ioin is not essential for binding as the substructures cytidine or CMP have considerable affinity for the protein. The bound 2C-methyl-D-erythritol 2,4-cyclodiphosphate in the crystal sub2 shows that coordination of the zinc ion and the interactions described above in subsite II are also sufficient for binding.

Propeties of the Site-Directed Mutants IsPF-D8S, IspF-H10S and IspF-H42S

[0121] For confirmation of the crystal structure data the recombinant His-tagged site-directed mutant proteins IspF-D8S, IspF-H10 and IspF-H42S were prepared as described in the example section. As already described above, the amino acid residues Asp8, His10 and His42 are the coordinating ligands for the zinc-ion in the active site. The three site-directed mutants show less than 1% activitity as compared to the recombinant His-tagged wild-type protein. Moreover, atomic absorption spectroscopy experiments show that these mutants contain less than 0.2 mol Zn per monomer of the synthase. These results clearly demonstrate for the first time that zinc is essential for the catalytic activity of this synthase.

Methods of Selecting or Identifying Potential Inhibitors of 2C-Methyl-D-erythritol 2,4-Cyclodiphosphate Synthase

[0122] The binding mode of CDP and of the other substrate analogs to the synthase indicates that they might be competitive inhibitors of the synthase. Other potential inhibitors may be identified using the structural information and the methods provided herein. Preferably, potential inhibitors are selected by their potential of binding to the active site. The active site comprises the three binding pockets I, II and III described above. Compounds which bind to at least one of these pockets can be expected to compete with binding of the substrate thus functioning as competitive inhibitors of the synthase. When selecting a potential inhibitor by rational drug design or computer modeling, the 3D structure of the synthase is loaded from a data storage device into a computer memory and may be displayed (generated) on a computer screen using a suitable computer program. Preferably, only a subset of interest of the coordinates of the whole structure of the synthase is loaded in the computer memory or displayed on the computer screen. This subset of interest may comprise the coordinates of active site residues and/or those which make up a binding cavity (pocket) of the synthase and the above mentioned zinc ion. This subset may be called a criteria data set; this subset of atoms may be used for designing an inhibitor. It may contain amino acid residues of more than one synthase monomer and may comprise at least some of the following amino acid residues:

[0123] Ala131# contacting the face of the cytidyl moiety;

[0124] Ala131# bonding with its carbonyl oxygen to at least one of the 2′-and 3′-hydroxyl groups of the cytidyl moiety;

[0125] Asp56 making a hydrogen bond with its carboxyl group to at least one of the 2′-and 3′-hydroxyl groups of the cytidyl moiety;

[0126] Gly58 making van der Waals contact with its Cα to at least one of the the 2′-and 3′-hydroxyl groups of the cytidyl moiety;

[0127] peptide group between Lys104# and Met105# hydrogen bonding to N3 of the cytidyl moiety;

[0128] Thr133# supporting the cytidyl moiety and hydrogen bonding with its γ-O or its backbone NH to the α-phosphate;

[0129] Lys104# contacting with its side chain the cytidyl moiety;

[0130] Leu106# contacting with its side chain the cytidyl moiety;

[0131] Leu106# hydrogen bonding with its NH to the-carbonyl oxygen of the cytidyl moiety;

[0132] Asp63 binding to the β-phosphate of cytidine diphosphate;

[0133] His34 hydrogen bonding with its backbone NH group to at least one oxygen atom of the P2 phosphate group of 2C-methyl-D-erythritol 2,4-cyclodiphosphate;

[0134] Ser35 hydrogen bonding with its backbone NH group to one oxygen atom of the P2 phosphate group;

[0135] Ser35 hydrogen bonding with its γ-OH to one of the oxygen atoms of the P2 phosphate group;

[0136] Leu76 making a van der Waals contact with its δ-C to the 2-methyl group;

[0137] Ile57 making a van der Waals contact with δ-C to the 2-methyl group;

[0138] Ile57 making a van der Waals contact with γ-C to the 2-methyl group;

[0139] Phe61 hydrogen bonding with its backbone carbonyl oxygen to the 1-hydroxyl group;

[0140] Phe61 hydrogen bonding with its backbone carbonyl oxygen to the 3-hydroxyl group;

[0141] Ile57 hydrogen bonding with its backbone carbonyl oxygen to the 3-hydroxyl group;

[0142] Ile57 making van der Waals contact with its γ-C to the carbon at the 4-position;

[0143] Pro100# hydrogen bonding with its backbone carbonyl oxygen to the amino group of the cytidyl moiety;

[0144] Ala100# hydrogen bonding with its backbone carbonyl oxygen to the amino group of the cytidyl moiety;

[0145] Ala100# supporting with its backborie carbonyl oxygen the C5 position of the cytidyl moiety.

[0146] Amino acids not denoted by # belong to one subunit and those denoted by # belong to another subunit.

[0147] A potential inhibitor may then be designed de novo by rational drug design in conjunction with computer modelling. Models of chemical structures or molecule fragments may be generated on a computer screen using information derived from known low-molecular weight organic chemical structures stored in a computer data base or are built using the general knowledge of an organic chemist regarding bonding types, conformations etc. Suitable computer programs may aid in this process in order to build chemical structures of realistic geometries. Chemical structures or molecule fragments may be selected and/or used to construct a potential inhibitor such that favorable interactions to said subset or criteria data set become possible. The more favorable interactions become possible, the stronger the potential inhibitor will bind to the synthase. Preferably, favorable interactions to at least three amino acid residues should become possible. Favorable interactions are any non-covalent attractive forces which may exist between chemical structures such as hydrophobic or van-der-Waals interactions and polar interactions such as hydrogen bonding, salt-bridges etc. Unfavorable interactions such as hydrophobic-hydrophilic interactions should be avoided but may be accepted if they are weaker than the sum of the attractive forces. Steric interference such as clashes or overlaps of portions of the inhibitor being selected or constructed with protein moieties will prevent binding unless resolvable by conformational changes. The binding strength of a potential inhibitor thus created may be assessed by comparing favorable and unfavorable interactions on the computer screen or by using computational methods implemented in, commercial computer programs.

[0148] Conformational freedom of the potential inhibitor and amino acid side chains of the synthase should be taken into account. Accessible conformations of a potential inhibitor may be determined using known rules of molecular geometry, notably torsion angles, or computationally using computer programs having implemented procedures of molecular mechanics and/or dynamics or quantum mechanics or combinations thereof.

[0149] A potential inhibitor is at least partially complementary to at least a portion of the active site of the synthase in terms of shape and in terms of hydrophilic or hydrophobic properties.

[0150] Databases of chemical structures (e.g. Cambridge structural database or from Chemical Abstracts Service; for a review see: Rusinko (1993) Chem. Des. Auto. News 8, 44-47) may be used to varying extents. In a totally automatic embodiment, all structures in a data base may be compared to the active site or to the binding pockets of the synthase for complementarity and lack of steric interference computationally using the processor of the computer and a suitable computer program. In this case, computer modeling which comprises manual user interaction at a computer screen may not be necessary. Alternatively, molecular fragments may be selected from a data base and assembled or constructed on a computer screen e.g. manually. Also, the ratio of automation to manual interaction by a person skilled in the art in the process of selecting may vary a lot. As computer programs for drug design and docking of molecules to each other become better, the need for manual interaction decreases.

[0151] A preferred approach of selecting or identifying potential inhibitors of the synthase makes use of the structure of the synthase-CDP complex of this invention. CDP is a fragment of the natural substrate and is a competitive inhibitor of the synthase as it binds to a portion of the active site. A potential inhibitor may be more easily found based on the structure and conformation of CDP bound to the active site of the synthase than based on complementarity to the active site. Thus, CDP may be a determinant of the structure of an inhibitor. Analogously to the principles of drug design and computer modeling outlined above, chemical structures or fragments thereof may be selected or constructed based on similarity to the structure of CDP bound to the synthase. CDP may even be used as a starting inhibitor. Models of chemical structures taken from a data base or constructed by modeling on the computer screen may be added to CDP. Alternatively, fragments of CDP may be exchanged by other fragments or chemical structures in order to improve the inhibitory function and/or in order to improve the suitability of the potential inhibitor thus obtained for pharmaceutical purposes. Putative inhibitors so obtained are 4-diphosphocytidyl-erythritol or 5-diphosphocytidyl-ribitol and derivatives, notably the 2-phosphates from these compounds.

[0152] The binding mode of CDP to the synthase and the information derivable therefrom regarding the mechanism of the reaction catalyzed by the synthase may be used to design inhibitors. Preferably, the zinc ion or the magnesium ion are used in such considerations.

[0153] Potential inhibitors may be selected or designed such that they interfere with said zinc or said magnesium ion. Such inhibitors may e.g. prevent binding of these metal ions or they may chelate them out of the synthase.

[0154] Another preferred approach is the design of mechanism-based inhibitors like suicide inhibitors which modify the synthase when turning over with the inhibitor.

[0155] Possible approaches for rational drug design are described extensively in the literature. See e.g. Meng et al. (1992) J. Comp. Chem. 505-524; Cohen et al. (1990) J. Med. Chem. 33, 883-894; Navia and Murcko (1992) Current Opinion in Structural Biology, 202-210, A. Parrill: rational drug design, ACS symposium series 719, American Chemical Society, 1999, Washington DC; Chemical and structural approaches to rational drug design, eds.: D. Weiner and W. Williams, CRC Press, 1995, Boca Raton.

[0156] Programs usable for computer modelling include Quanta (Molecular Simulations, Inc.) and Sibyl (Tripos Associates). Other useful programs are Autodock (Scripps Research Institute, La Jolla, described in Goodsell and Olsen (1990) Proteins: Structure, Function and Genetics, 8, 195-201), Dock (University of California, San Francisco, described in: Kuntz et al. (1982) J. Mol. Biol. 161, 269-288.

Experimental Assessment of Potential Inhibitors

[0157] Potential inhibitors may be assessed experimentally for binding to the synthase and/or for their inhibitory action on the catalytic activity of the synthase. The potential inhibitors can be synthesized according to the methods or organic chemistry. Preferably, compounds from a database have been selected without remodelling, since their synthesis may already be known. In any event, the synthetic effort needed to find an inhibitor is greatly reduced by the achievements of this invention due to the preselection of promising inhibitors by the above methods. Binding of a potential inhibitor may be determined after contacting the potential inhibitor with the synthase. This may be done crystallographically by soaking a crystal of the synthase with the potential inhibitor or by cocrystallisation and determining the crystal structure of the complex. Preferably, binding may be measured in solution according to methods known in the art. More preferably, inhibition of the catalytic activity of the synthase by the inhibitor is determined e.g. using the assays described in the examples section.

[0158] The activity of the synthase may be measured by determining the consumption of 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate and/or formation of 2C-methyl-D-erythritol 3,4-cyclopyrophosphate. Alternatively, consumption of 4-diphosphocytidyl-2C-methyl-D-erythritol and/or production of 2C-methyl-D-erythritol 3,4-cyclomonophosphate may be determined. The measurement may be carried out either directly with the reaction mixture or after the separation of the reaction mixture by chromatography, such as HPLC. The reaction should preferably be carried out at a pH of 5.5 to 9, preferably 7 to 8.5, in the presence of Mn2+ or Mg2+. Extra zinc may also be added. The temperature is preferably in the range of ±10° C. from the optimum temperature. The start of this reaction can be timed by the addition of the last of the essential components e.g. the synthase or substrate. The reaction can be stopped by methanol, chelating agents, like EDTA or acids like trichloro acetic acid. The activity of the synthase may be expressed as the amount of substrate comsumed or product produced in a specified period of time and under specified conditions. It may be advantageous to label the substrate by 32-phosphorous, 14-carbon, 13-carbon, deuterium or tritium in order to measure substrate consumption or product formation by a radio detector. These labeling types may be used alone or in any combination. Preparation of labeled substrates and their use in activity assays is described in detail in WO 01/11055.

[0159] Inhibition by potential inhibitor may be determined by repeating an activity assay in the presence of a predetermined concentration of a potential inhibitor and comparing the obtained activities of the synthase. An inhibitor may be tested at several different concentrations. Further, the type of inhibition e.g. competitive, non-competitive, un-competitive or irreversible may be determined according to known methods. Assays are known from WO 01/11055.

[0160] The asymmetric unit of the crystal of space group I2(1)3 of this invention contains one monomer of the synsthase. The functional trimer which is also present in solution is generated by the symmetry operations (x,y,z), (y,z,x) and (z,x,y). Therefore three substrate binding sites/active sites are present in the trimer. Two subunits contribute to each substrate binding site.

[0161] The invention will now be described in detail with reference to specific examples.

EXAMPLE 1

Production of an Expression Clone and Construction of an Expression Vector for the Expression of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IsPF)

[0162] The E. coil ORF ispF (accession no. gb AE000358) from bp position 6231 to 6754 is amplified by PCR using chromosomal E. coli DNA as template. Chromosomal DNA from Escherichia coil strain XL1-Blue (Bullock et al. 1987; commercial source: Stratagene, LaJolla, Calif., USA) is isolated according to a method described by Meade et al., 1982.

[0163] The reaction mixture contains 10 pmol of the primer 5′-GAGAAGGATCCATGCGAATTGGACACGGTTTTGACG-3′, 10 pmol of the primer 5′-TATTATCTGCAGCCTTGCGGTTTACCGTGGAGG-3′, 20 ng of chromosomal DNA, 2 U of Taq DNA polymerase (Eurogentec, Seraing, Belgium) and 20 nmol of dNTPs in a total volume of 100 μl containing 1.5 mM MgCl2, 50 mM KCl, 10 mM Tris-hydrochloride, pH 8.8 and 0.1% (w/w) Triton X-100.

[0164] The mixture is denaturated for 5 min at 94° C. Then 30 PCR cycles for 30 sec at 94° C., 45 sec at 50° C. and 45 sec at 72° C. followed. After further incubation for 7 min at 72° C., the mixture is cooled to 4° C. An aliquot of 2 μl is subjected to agarose gel electrophoresis.

[0165] The PCR amplificate is purified with the PCR purification kit from Qiagen (Hilden, Germany).

[0166] 1.0 μg of the vector pQE30 (Qiagen) and 0.5 μg of the purified PCR product are digested in order to produce DNA fragments with overlapping ends. Each restriction mixture contains 10 μl of NEB3 buffer from New England Biolabs (NEB), 100 U of BamHI (NEB), 100 U of Pstl (NEB) in a total volume of 100 μl and is incubated for 3 h at 37° C. Digested vector DNA and PCR product are purified using the PCR purification kit from Qiagen.

[0167] 20 ng of the vector DNA and 13 ng of the purified PCR product are ligated together with 1 U of T4-Ligase (Gibco), 2 μl of T4-Ligase buffer (Gibco) in a total volume of 10 μl, yielding the plasmid pQEispF. The ligation mixture is incubated for 2 h at 25° C. 1 μl of the ligation mixture is transformed into electrocompetent E. coli XL1-Blue cells according to a method described by Dower et al., 1988. The plasmid pQEispF is isolated with the plasmid isolation kit from Qiagen.

[0168] The DNA insert of the plasmid pQEispF is sequenced by the automated dideoxynucleotide method (Sanger et al., 1992) using an ABI Prism 377™ DNA sequencer from Perkin Elmer (Norwalk, USA) with the ABI Prism™ Sequencing Analysis Software from Applied Biosystems Divisions (Foster city, USA). It is identical with the DNA sequence of the database entry (gb AE000358). The 5′-end of the DNA insert carries the coding region for 6 histidine residues.

[0169] The DNA sequence and corresponding amino acid sequence of the ispF gene of E. coli are shown in FIG. 9.

EXAMPLE 2

Production of an Expression Clone and Construction of an Expression Vector for the Expression of the Site Directed 2C-methyl-D-erythritol 2,4-cycloditohosphate synthase mutant Asp8Ser

[0170] A DNA fragment containing the ispF gene carrying the D8S mutation is generated by PCR using the plasmid pQEispF as template (FIG. 9).

[0171] The reaction mixture contains 10 pmol of primer ispFD8S 5′-CCTGACGGATCCATGCGAATTGGACACGGTTTTTCAGTAC-3′, 10 pmol of the primer ispFhi 5′-TATCAACTGCAGTCATTTTGTTGCCTTAATGAG-3′, 2 ng of pQEispF DNA, 2 U of Taq DNA polymerase (Eurogentec, Seraing, Belgium) and 20 nmol of dNTPs in a total volume of 100 μl containing 1.5 mM MgCl2, 50 mM KCl, 10 mM Tris-hydrochloride, pH 8.8 and 0.1% (w/w) Triton X-100.

[0172] The mixture is denaturated for 5 min at 94° C. Then 30 PCR cycles for 30 sec at 94° C., 45 sec at 50° C. and 45 sec at 72° C. follow. After further incubation for 7 min at 72° C., mixture is cooled to 4° C. An aliquot of 2 μl is subjected to agarose gel electrophoresis.

[0173] The PCR amplificate is purified with the PCR purification kit from Qiagen (Hilden, Germany). 1.0 μg of the vector pQE30 (Qiagen) and 0.5 μg of the purified PCR product are digested in order to produce DNA fragments with overlapping ends. Each restriction mixture contains 10 μl of NEB3 buffer from New England Biolabs (NEB), 100 U of BamHI (NEB), 100 U of Pstl (NEB) in a total volume of 100 μl and is incubated for 3 h at 37° C. Digested vector DNA and PCR product are purified using the PCR purification kit from Qiagen.

[0174] 20 ng of the vector DNA and 12 ng of the purified PCR product are ligated together with 1 U of T4-Ligase (Gibco), 2 μl of T4-Ligase buffer (Gibco) in a total volume of 10 μl, yielding the plasmid pQEispFD8S. The ligation mixture is incubated for 2 h at 25° C. 1 μl of the ligation mixture is transformed into electrocompetent E. coli XL1-Blue cells. The plasmid pQEispFD8S is isolated with the plasmid isolation kit from Qiagen.

[0175] The DNA insert of the plasmid pQEispFDBS is sequenced and is found to be as expected (FIG. 9). The 5′-end of the DNA insert carries the coding region for 6 histidine residues.

EXAMPLE 3

EXAMPLE 4

Production of an Expression Clone and Construction of an Expression Vector for the Expression of the Site Directed 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase mutant His42Ser

[0183] A DNA fragment containing the ispF gene carrying the H42S mutation is generated by PCR using the plasmid pQEispF as template (FIG. 9).

[0184] The reaction mixture contains 10 pmol of primer ispFH42S 5′-CGCATTCCTTACGAAAAAGGATTGCTGGCGCATTCTGATGGCGACGTGGCGCTCTCTGCGTTG-3′, 10 pmol of the primer ispFhi 5′-TATCAACTGCAGTCATTTTGTTGCCTTAATGAG-3′, 2 ng of pQEispF DNA, 2 U of Taq DNA polymerase (Eurogentec, Seraing, Belgium) and 20 nmol of dNTPs in a total volume of 100 μl containing 1.5 mM MgCl2, 50 mM KCl, 10 mM Tris-hydrochloride, pH 8.8 and 0.1% (w/w) Triton X-100.

[0185] The mixture is denaturated for 5 min at 94° C. Then 30 PCR cycles for 30 sec at 94° C., 45 see at 50° C. and 45 sec at 72° C. follow. After further incubation for 7 min at 72° C., the mixture is cooled to 4° C. An aliquot of 2 μl is subjected to agarose gel electrophoresis.

[0186] The PCR amplificate is purified with the PCR purification kit from Qiagen.

[0187] The PCR amplificate is used as template for a second PCR reaction. The reaction mixture contained 25 pmol of primer is pFuni2 5′-GCCTTTGGCGGTGAAGGCCCAATTATCATTGGTGGCGTACGCATTCCTTACGAAAAAGG-3′, 25 pmol of primer ispFhi 5′-TATCAACTGCAGTCATTTTGTTGCCTTAATGAG-3′, 2 μl, of the first PCR amplification, 2U of Taq DNA polymerase (Eurogentec, Seraing, Belgium) and 20 nmol of dNTPs in a total volume of 100 μl containing 1.5 mM MgCl2, 50 mM KCl, 10 mM Tris-hydrochloride, pH 8.8 and 0.1% (w/w) Triton X-100.

[0188] The mixture is denaturated for 3 min at 95° C. Then 40 PCR cycles for 45 sec at 94° C., 45 sec at 50° C. and 60 sec at 72° C. follow. After further incubation for 20 min at 72° C., the mixture cooled to 4° C. An aliquot of 2 μl is subjected to agarose gel electrophoresis. An aliquot of 2 μl is subjected to agarose gel electrophoresis.

[0189] The PCR amplificate is purified with the PCR purification kit from Qiagen.

[0190] The PCR amplificate is used as template for a second PCR reaction. The reaction mixture contained 25 pmol of primer is pFuni1 5′-CCTGACGGATCCATGCGAATTGGACACGGTTTTGACGTACATGCCTTTGGCGGTGAA-3′, 25 pmol of primer ispFhi 5′-TATCAACTGCAGTCATTTTGTTGCCTTAATGAG-3′, 2 μl of the second PCR amplification, 2U of Taq DNA polymerase (Eurogentec, Seraing, Belgium) and 20 nmol of dNTPs in a total volume of 100 μl containing 1.5 mM MgCl2, 50 mM KCl, 10 mM Tris-hydrochloride, pH 8.8 and 0.1% (w/w) Triton X-100.

[0191] The mixture is denaturated for 3 min at 95° C. Then 40 PCR cycles for 45 sec at 94° C., 45 sec at 50° C. and 60 sec at 72° C. follow. After further incubation for 20 min at 72° C., the mixture is cooled to 4° C. An aliquot of 2 μl is subjected to agarose gel electrophoresis. An aliquot of 2 μl is subjected to agarose gel electrophoresis.

[0192] The PCR amplificate is purified with the PCR purification kit from Qiagen.

[0193] 1.0 μg of the vector pQE30 (Qiagen) and 0.5 μg of the purified PCR product are digested in order to produce DNA fragments with overlapping ends. Each restriction mixture contains 10 μl of NEB3 buffer from New England Biolabs (NEB), 100 U of BamHI (NEB), 100 U of Pstl (NEB) in a total volume of 100 μl and is incubated for 3 h at 37° C. Digested vector DNA and PCR product are purified using the PCR purification kit from Qiagen.

[0194] 20 ng of the vector DNA and 12 ng of the purified PCR product are ligated together with 1 U of T4-Ligase (Gibco), 2 μl of T4-Ligase buffer (Gibco) in a total volume of 10 μl, yielding the plasmid pQEispFH42S. The ligation mixture is incubated for 2 h at 25° C. 1 μl of the ligation mixture is transformed into electrocompetent E. coli XL1-Blue cells. The plasmid pQEispFH42S is isolated with the plasmid isolation kit from Qiagen.

[0195] The DNA insert of the plasmid pQEispFH42S is sequenced and is found to be as expected (FIG. 9). The 5′-end of the DNA insert carries the coding region for 6 histidine residues.

EXAMPLE 5

Determination of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity

[0196] Assay mixtures contain 50 mM potassium phosphate, pH 7.0, 2 mM DTT, 2 mM MgCl2, 1 mM 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate and protein in a total volume of 100 μl. The mixtures are incubated at 37° C. for 20 min. The reactions are terminated by adding EDTA at a final concentration of 4 mM. The samples are centrifuged and the supernatant is analyzed by HPLC using a column of Multospher 120 RP 18-AQ-5 (4.6×250 mm, CS-Chromatographic Service Gmbh) that has been equilibrated and run with Gradient No. 3 at a flow rate 1 ml min−1 (see below). The effluent is monitored photometrically (270 nm).

[0197] One unit of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity is defined as the amount of protein which produced 1 μmol min−1 of CMP.

[0198] Column: Multospher 120 RP 18-5 AQ, 250×4.6 mm, particle size 5 μm (CS: Chromatographic Service GmbH, Langerwehe, Germany)

1Mobile phase:Eluent A10 mM TBAS in distilled H2OEluent B10 mM TBAS in 70% (v/v) Methanol

[0199] Gradient No.3

2Time (min)A[%]B[%]01000204060250100261000301000

EXAMPLE 6

Purification of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase and Site-directed Mutants Thereof

[0200] The procedure described herein is used for the purification of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase and the site directed mutant proteins DBS, H10S and H42S.

[0201] Cells of the recombinant E. coli strain XL1-pQEispF (7.3 g) are suspended in 35 ml of standard buffer (20 mM potassium phosphate pH 7.0, 0.5 M NaCl) containing 20 mM imidazole. Cell extract is performed by ultrasonication. The suspension is centrifuged at 16,000 rpm for 30 min. The supernatant was collected. The cell extract (806 mg) was loaded on top of a Ni2+-Chelating Sepharose column (1.6×6.0 cm, Amersham Pharmacia Biotech) which has been equilibrated with 20 mM imidazole in standard buffer at a flow rate of 3 ml min−1. The column is washed with 100 ml of 20 mM imidazole in standard buffer. The enzyme is eluted by a linear gradient of 20-500 mM imidazole in buffer D (total volume 300 ml). The enzyme is eluted at 100-200 mM imidazole. Fractions are combined according to SDS-PAGE. The 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase protein migrates as a single band at a molecular mass of about 17 kDa. The pooled fractions are desalted on HiPrep desalting column (size 2.6×10 cm, Amersham Pharmacia Biotech) at a flow rate of 5 ml min−1. The protein is eluted at a volume of 15 ml. Protein fractions are pooled.

EXAMPLE 7

Flame Atomic Absorption Spectrometry (Flame-AAS) of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase and Site-directed Mutants Thereof

[0202] The protein mixture is diluted with water and 6 M HCl to a final concentration of 200 nM and a final concentration of 2 M. The aqueous solution is then incubated at 90° C. for 5 hours. 2 ml of this solution per measurement are then taken up by an Unicam 91.9 Flame-AAS. For the acquiration of one datapoint usually 3 measurments are averaged. To determine the background emission of amino acids, a peptone solution has been prepared and measured using similar procedures.

EXAMPLE 8

[0203] Crystallization of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

[0204] The protein solution contains 20 mM potassium phosphate pH 7.0 and 10 mg ml−1 of purified recombinant 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from recombinant E. coli. This solution is then applied onto a crystallization plate (CCLEAR-D/1, Douglas instruments, UK) and mixed 1:1 with a crystallization buffer containing 0.1 M HEPES pH 7.5 and 2 M ammonium formate. This mixture is then supported with ten times of volume of a base buffer, similar to the precipitation buffer. The crystallization plate is then sealed with Crystal-Clear® tape and stored in a climate regulated room.

[0205] Micro and macro seeding techniques were then employed in order to produce more crystals.

EXAMPLE 9

Cryo-protection and Freezing of Crystals and Data Collection

[0206] Crystals containing the synthase and zinc were incubated for one hour with about 5 mM of a ligand in mother liquor containing 2M ammonium formate, 0.1M HEPES/NaOH at pH 7.0 and 20% D-(−)-2,3-butanediole (purchased from FLUKA) as a cryo-protectant. Crystals were mounted in a nylon-loop and flash frozen in a stream of nitrogen at 100Kelvin with an Oxford cryo stream. The quality of the crystals was not reduced by freezing and the mosaicity was only slightly increased from about 0.3° to 0.5°. Diffraction data were measured at that temperature without any indication of radiation damage.

EXAMPLE 10

Soaking of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase crystals with Mg-CDP

[0207] In order to obtain a crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CDP, the synthase was crystallized according to example 8. A crystal of suitable size was then soaked in crystallization buffer (see example 8) further containing 5 mM CDP and 5 mM MgCl2.

EXAMPLE 11

Structure Solution of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

[0208] 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase was crystallized in the cubic space group I2(1)3 with a=144.15 Å. A native data set was collected on a rotating anode generator equipped with an MARresearch Image Plate detector at room temperature. The overall Rmarge was 7.4% in the resolution range 20.0 to 2.85 Å and 40.1% in the outermost resolution shell. These date were 99.7% complete with a mean redundancy of 4.3 (Table 1). For structure solution a crystal was incubated with 2 mM mercury-(II)-acetate in mother liquor for one hour yielding an isomorphous derivative with a single heavy atom binding site in the asymmetric unit. The isomorphous difference was 25.3% in the resolution range 25.0 to 3.6 Å. This derivative was interpreted with the program SHELXS (Sheldrick et al., 1993). Heavy atom parameters were refined and phases calculated with the program MLPHARE (Collaborative Computational Project No. 4, 1994). The phasing power was 1.0 (25 to 3.6 Å) with a figure of merit of 0.27. Phases were improved by solvent flattening using the program DM (Collaborative Computational Project No. 4, 1994) along with phase extension. An atomic model was built with the program MAIN (Turk, 1992) and refined with the program XPLOR (Brünger et al., 1998). The model comprises residues Met1 to Ile155. The electron density is continuous throughout the model with the exception of a short break between Phe61 and Pro62 in a loop structure comprising Phe61 to Lys69. Refinement data and statistics are given in Table 1.

EXAMPLE 12

Structure Solution of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase in Complex with CDP

[0209] The starting model for the determination of the structure of the complex was the structure of the synthase without a substrate analoge. Initially a rigid body refinement of the starting model using Fobs from a crystal cocrystallized with CDP was carried out followed by several cycles of positional refinement with X-PLOR against the new Fobs. In electron density maps, the elongated structure of CDP was discernible and was modeled into the density. After further refinement cycles, a spherical electron density was found in coordinating distance to the phosphate groups of CDP and was interpreted as a magnesium ion.

EXAMPLE 13

Screening for 2C-methyl-D-erythritol 2,4-cyclodiohosphate synthase activity

[0210] Synthase activity is screened for by a radiochemical method. Assay mixtures contained 100 mM tris hydrochloride pH 8.0, 10 mM MnCl2, 14 nCi of [2-14C]4-diphosphocytidyl-2C-methyl-D-erythritol and 2 μg of the synthase from recombinant E. coli. They are incubated at 37° C. for 30 min. After centrifugation, aliquots are spotted on Sil-NHR thin layer plates which are developed with a mixture of n-propanollethyl acetate/H2O (6:1:3, v/v). The radiochromatogram is monitored and evaluated by Phosphor Imager (Storm 860, Molecular Dynamics,USA). The Rf value of the synthase product is 0.5. This screening method can be carried out in the presence or absence of prospective inhibitors.

Screening of Synthase Activity by NMR

[0211] A solution containing 100 mM Tris HCl pH 8.0, 10 mM MnCl2, 5 mM of 4-diphosphocytidyl-2C-methyl-D-erythritol and 0.1 mg of synthase from recombinant E. coli are incubated at 37° C. for 1 h. The reaction is monitored by 31P-NMR. 31P-NMR spectra are recorded using a AC 250 spectrometer from Bruker at a transmitter frequency of 101.3 MHz. The chemical shifts are referenced to external 85% H3PO4. The screening method is carried out in the presence or absence of prespective inhibitors by measuring the residual starting material and comparing the results.

[0212] The product 2C-methyl-D-erythritol 3,4-cyclomonophosphate displays one 31P singlet at +21.7 (see WO 01/11055 for an NMR characterization of this product). Synthase activity can therefore also be determined by measuring this signal for determining the amount of product.

Literature

[0213] Brünger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J. S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. & Warren, G. L. (1998). Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta Crystallogr. D54, 905-921.

[0214] Bullock, W. O.; Fernandez, J. M., & Short, J. M. (1987). XL1-Blue: a high efficiency plasmid transforming recA Escherichia coli with β-galactosidase selection. BioTechniques 5, 376-379.

[0215] Chook, Y. M., Ke, H. & Lipscomb, W. N. (1993). Crystal structures of the monofunctional chorismate mutase from Bacillus subtilis and its complex with a transition state analog. Proc. Natl. Acad. Sci. USA 90, 8600-8603.

[0216] Collaborative Computational Project No. 4. (1994). The CCP4 suite: programs for protein crystallography. Acta Crystalogr. D50, 760-763.

[0217] Dower, W. J., Miller, J. F., & Ragsdale, C. (1988) High efficiency transformation of E. coli by high voltage, electroporation. Nucleic Acids Res. 16, 6127-6145.

[0218] Frishman, D. & Argos, P. (1995). Knowledge-based protein secondary structure assignment. Proteins 23, 566-579.

[0219] Herz, S., Wungsintaweekul, J., Schuhr, C. A., Hecht, S., Lüttgen, H., Sagner, S., Fellermeier, M., Eisenreich, W., Zenk, M. H., Bacher, A. & Rohdich, F. (2000). Biosynthesis of terpenoids: YgbB protein converts 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate to 2C-methyl-D-erythritol 2,4-cyclodiphosphate. Proc. Natl. Acad. Sci. USA 97, 2486-2490.

[0220] Laskowski, R. A., MacArthur, M. W., Moss, D. S. & Thornton, J. M. (1993). PROCHECK: a program to check the stereochemical quality of protein structures. J. Appl. Crystallogr. 26, 283-291.

[0221] Li, C., Kappock, T. J., Stubbe, J., Weaver, T. M. & Ealick, S. E. (1999). X-ray crystal structure of aminoimidazole ribonucleotide synthetase (Purm), from the Escherichia coli purine biosynthetic pathway at 2.5 A Resolution. Structure 7, 1155-166.

[0222] Lüttgen, H., Rohdich, F., Herz, S., Wungsintaweekul, J., Hecht, S., Schuhr, C. A, Fellermeier, M., Sagner, S., Zenk, M. H., Bacher, A. & Eisenreich, W. (2000). Biosynthesis of terpenoids: YchB protein of Escherichia Coli phosphorylates the 2-hydroxy group of 4-diphosphocytidyl-2C-methyl-D-erythritol. Proc. Natl. Acad. Sci. USA 97, 1062-1067.

[0223] Meade, H. M., Long, S. R., Ruvkun, C. B., Brown, S. E., & Auswald, F. M. (1982). Physical and genetic characterization of symbiotic and auxotrophic mutants of Rhizobium meliloti induced by transposon Tn5 mutagenis. J. Bacteriol. 149, 114-122.

[0224] Muchmore, C. R., Krahn, J. M., Kim, J. H., Zalkin, H. & Smith, J. L. (1998). Crystal structure of glutamine phosphoribosylpyrophosphate amidotransferase from Escherichia coli. Protein Science 7, 39-51.

[0225] Rohdich, F., Wungsintaweekul, J., Fellermeier, M., Sagner, S., Herz, S., Kis, K., Eisenreich, W., Bacher, A & Zenk, M. H. (1999). Cytidine 5′-triphosphate biosynthesis of isoprenoids: YgbP protein of Escherichia coli catalyzes the formation of 4-diphosphocytidyl-2C-methylerythritol. Proc. Natl. Acad. Sci. USA 96, 11758-11763.

[0226] Sanger, F., Nicklen, S., & Coulson, A. R. (1992). DNA sequencing with chain-terminating inhibitors. 1977. Biotechnology 24, 104-8.

[0227] Sheldrick, G. M., Dauter, Z., Wilson, K. S., Hope, H. & Sieker, L. C. (1993). The application of direct methods of patterson interpretation to high-resolution native protein data. Acta Crystallogr. D49, 18-23.

[0228] Subramanya, H. S., Roper, D. I., Dauter, Z., Dodson, E. J., Davies, G. J., Wilson, K. S. & Wigley, D. B. (1996). Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases. Biochemistry 35, 792-802.

[0229] Turk, D. (1992). Weiterentwicklung eines Programms für Molekülgraphik und Elektronendichte-Manipulation und seine Anwendung auf verschiedene Protein-Strukturaufklärungen, TU München.

[0230] Unge, J., Berg, A., Al-Kharadaghi, S., Nikulin, A., Nikonov, S., Davydova, N., Nevskaya, N., Garber, M. & Liljas, A. (1998). The crystal structure of ribosomal protein L22 from Thermus thermophilus: insights into the mechanism of erythromycin resistance. Structure 6, 1577-1586.

[0231] Volz, K. (1999). A test case for structure-based functional assignment: The 1.2 Å crystal structure of the yjgF gene product from Escherichia coli. Protein Science 8, 2428-2437. Xiang, S., Short, S. A., Wolfenden, R. & Carter, R. C. (1995). Transition-state selectivity for a single hydroxyl group during catalysis by cytidine deaminase. Biochemistry 34(34), 4516-4523.

3TABLE 1Statistics for data collection and refinementCrystalnat2mgcdp2subopsubssub2cytData collectionCell constant a (Å)144.15144.66144.81145.01144.63144.70(a = b = c, α = β = γ = 90°)Resolution range (Å)20 to 2.8525 to 2.520 to 2.820 to 3.225 to 2.525 to 2.9Reflections observed491595496546385209296670131246Unique reflections11403170151258681831710610634Rmergea overall (%)7.46.47.510.66.36.7Rmergea outermost shell (%)40.139.442.644.640.937.7Completeness overall (%)97.497.399.896.798.198.8Completeness outermost shell (%)99.797.199.996.499.899.0Temperature factor from Wilson plot (Å2)77.850.873.264.360.384.7RefinementReflections used for refinement10861165311202376721652110075(8.0Å to high resolution limit)R valueb final model (%)22.624.023.320.620.122.1Rfreec value final model23.726.026.425.425.525.9Rms deviationsbond lengths (Å)0.0120.0110.0100.0110.0090.011bond angles (°)1.841.881.851.841.811.91dihedral angles (°)22.623.022.4022.022.421.97improper angles (°)1.231.341.231.241.181.25Ramachandran-plot: residues inmost favoured:93.089.893.786.692.188.2additional allowed:6.310.26.313.47.111.0generously allowed:0.80.00.00.00.80.8disallowed: regions0.00.00.00.00.00.0RMSD for bond B restraints (Å2)2.852.72.82.62.32.9Temperature factors (Å2)protein:protein: 32.7protein: 38.4protein: 43.0protein: 36.1protein: 46.741.5Zn: 36.9Zn: 46.5sub: 59.7Zn: 36.1Zn: 57.7Zn: 51.3Mg: 50.2subs: 52.5subs: 46.7cytidine: 43.2CDP: 32.0solvent: 54.5 (72water molecules)aRmerge = Σ(I − <I>)/ΣI bR= Σ(|Fobs| − |Fcalc|)/Σ|Fobs|cRfree was calculated with 5% of the observed reflections which were omitted from the refinement and F-value calculation

[0232]

4

TABLE 2

Coordinates of atoms within 10 Å of the bound ligands of structure sub2.

ATOM
1360
CE1
PHE
12
17.314
0.147
20.994
1.00
26.02
A

ATOM
1361
CE2
PHE
12
15.489
1.232
19.888
1.00
24.00
A

ATOM
1362
CZ
PHE
12
16.272
1.061
21.014
1.00
25.64
A

ATOM
1397
CG1
ILE
18
20.556
−0.394
25.688
1.00
27.99
A

ATOM
1398
CD1
ILE
18
19.431
0.531
25.327
1.00
30.35
A

ATOM
1411
CB
ILE
20
22.696
3.946
27.295
1.00
28.08
A

ATOM
1412
CG2
ILE
20
22.445
5.441
27.168
1.00
27.99
A

ATOM
1413
CG1
ILE
20
21.954
3.241
26.155
1.00
28.59
A

ATOM
1414
CD1
ILE
20
22.281
3.779
24.767
1.00
27.82
A

ATOM
1445
CB
ILE
25
20.290
−0.580
29.494
1.00
25.24
A

ATOM
1446
CG2
ILE
25
18.791
−0.553
29.629
1.00
24.77
A

ATOM
1447
CG1
ILE
25
20.949
0.529
30.311
1.00
23.49
A

ATOM
1448
CD1
ILE
25
20.596
1.911
29.856
1.00
20.35
A

ATOM
1461
CG
TYR
27
15.844
−2.675
24.571
1.00
33.62
A

ATOM
1462
CD1
TYR
27
14.609
−2.362
25.134
1.00
31.53
A

ATOM
1463
CE1
TYR
27
13.612
−1.753
24.380
1.00
33.64
A

ATOM
1464
CD2
TYR
27
16.057
−2.363
23.227
1.00
34.10
A

ATOM
1465
CE2
TYR
27
15.066
−1.756
22.466
1.00
33.94
A

ATOM
1466
CZ
TYR
27
13.847
−1.455
23.047
1.00
33.03
A

ATOM
1467
OH
TYR
27
12.858
−0.869
22.289
1.00
35.70
A

ATOM
1983
C
VAL
96
21.845
14.549
28.317
1.00
21.82
A

ATOM
1984
O
VAL
96
21.189
14.496
29.359
1.00
23.75
A

ATOM
1985
N
THR
97
21.290
14.431
27.117
1.00
21.11
A

ATOM
1986
CA
THR
97
19.863
14.200
26.948
1.00
22.07
A

ATOM
1987
CB
THR
97
19.179
15.407
26.293
1.00
24.54
A

ATOM
1988
OG1
THR
97
19.487
16.595
27.038
1.00
29.07
A

ATOM
1989
CG2
THR
97
17.668
15.215
26.256
1.00
20.95
A

ATOM
1990
C
THR
97
19.686
13.013
26.021
1.00
24.03
A

ATOM
1991
O
THR
97
20.013
13.111
24.836
1.00
24.95
A

ATOM
1992
N
ILE
98
19.245
11.884
26.575
1.00
24.06
A

ATOM
1993
CA
ILE
98
18.998
10.659
25.809
1.00
25.64
A

ATOM
1994
CB
ILE
98
19.161
9.419
26.687
1.00
26.46
A

ATOM
1995
CG2
ILE
98
18.879
8.155
25.886
1.00
24.22
A

ATOM
1996
CG1
ILE
98
20.574
9.391
27.266
1.00
27.56
A

ATOM
1997
CD1
ILE
98
20.727
8.445
28.417
1.00
27.49
A

ATOM
1998
C
ILE
98
17.566
10.710
25.280
1.00
26.81
A

ATOM
1999
O
ILE
98
16.619
10.966
26.029
1.00
30.64
A

ATOM
2000
N
ILE
99
17.404
10.485
23.990
1.00
25.35
A

ATOM
2001
CA
ILE
99
16.090
10.556
23.381
1.00
24.37
A

ATOM
2002
CB
ILE
99
16.123
11.510
22.165
1.00
23.31
A

ATOM
2003
CG2
ILE
99
14.762
11.632
21.538
1.00
23.17
A

ATOM
2004
CG1
ILE
99
16.589
12.898
22.614
1.00
23.59
A

ATOM
2005
CD1
ILE
99
17.147
13.748
21.512
1.00
19.94
A

ATOM
2006
C
ILE
99
15.718
9.150
22.968
1.00
25.25
A

ATOM
2007
O
ILE
99
16.213
8.637
21.964
1.00
24.57
A

ATOM
2008
N
ALA
100
14.875
8.515
23.773
1.00
26.25
A

ATOM
2009
CA
ALA
100
14.447
7.152
23.509
1.00
26.65
A

ATOM
2010
CB
ALA
100
15.436
6.183
24.119
1.00
25.30
A

ATOM
2011
C
ALA
100
13.049
6.870
24.051
1.00
29.75
A

ATOM
2012
O
ALA
100
12.674
7.339
25.130
1.00
30.24
A

ATOM
2013
N
GLN
101
12.273
6.121
23.274
1.00
30.65
A

ATOM
2014
CA
GLN
101
10.922
5.731
23.661
1.00
30.21
A

ATOM
2015
CB
GLN
101
10.203
5.140
22.438
1.00
31.90
A

ATOM
2016
CG
GLN
101
8.685
5.058
22.545
1.00
32.46
A

ATOM
2017
CD
GLN
101
8.035
6.409
22.794
1.00
34.14
A

ATOM
2018
OE1
GLN
101
7.104
6.518
23.588
1.00
36.30
A

ATOM
2019
NE2
GLN
101
8.524
7.445
22.118
1.00
34.90
A

ATOM
2020
C
GLN
101
11.073
4.672
24.761
1.00
30.27
A

ATOM
2021
O
GLN
101
10.335
4.650
25.759
1.00
32.28
A

ATOM
2022
N
ALA
102
12.059
3.805
24.564
1.00
28.45
A

ATOM
2023
CA
ALA
102
12.383
2.732
25.491
1.00
27.28
A

ATOM
2024
CB
ALA
102
11.431
1.578
25.299
1.00
24.64
A

ATOM
2025
C
ALA
102
13.802
2.311
25.137
1.00
27.53
A

ATOM
2026
O
ALA
102
14.233
2.488
23.997
1.00
28.45
A

ATOM
2027
N
PRO
103
14.528
1.689
26.077
1.00
28.94
A

ATOM
2028
CD
PRO
103
15.838
1.074
25.767
1.00
27.65
A

ATOM
2029
CA
PRO
103
14.089
1.364
27.440
1.00
27.92
A

ATOM
2030
CB
PRO
103
15.084
0.287
27.858
1.00
27.03
A

ATOM
2031
CG
PRO
103
16.348
0.674
27.110
1.00
26.85
A

ATOM
2032
C
PRO
103
14.092
2.572
28.376
1.00
29.67
A

ATOM
2033
O
PRO
103
14.400
3.686
27.957
1.00
32.19
A

ATOM
2034
N
LYS
104
13.674
2.372
29.619
1.00
30.26
A

ATOM
2035
CA
LYS
104
13.647
3.451
30.600
1.00
30.53
A

ATOM
2036
CB
LYS
104
12.811
3.028
31.806
1.00
33.62
A

ATOM
2037
CG
LYS
104
12.137
4.173
32.536
1.00
40.28
A

ATOM
2038
CD
LYS
104
11.063
4.806
31.664
1.00
46.67
A

ATOM
2039
CE
LYS
104
10.471
6.080
32.281
1.00
51.22
A

ATOM
2040
NZ
LYS
104
9.581
6.794
31.291
1.00
54.74
A

ATOM
2041
C
LYS
104
15.093
3.710
31.027
1.00
31.13
A

ATOM
2042
O
LYS
104
15.796
2.795
31.450
1.00
31.65
A

ATOM
2043
N
MET
105
15.539
4.954
30.928
1.00
30.78
A

ATOM
2044
CA
MET
105
16.908
5.289
31.276
1.00
28.60
A

ATOM
2045
CB
MET
105
17.417
6.414
30.381
1.00
27.58
A

ATOM
2046
CG
MET
105
17.337
6.123
28.911
1.00
27.10
A

ATOM
2047
SD
MET
105
18.378
4.738
28.465
1.00
29.30
A

ATOM
2048
CE
MET
105
17.915
4.476
26.749
1.00
23.71
A

ATOM
2049
C
MET
105
17.090
5.716
32.711
1.00
29.67
A

ATOM
2050
O
MET
105
18.133
5.468
33.303
1.00
31.16
A

ATOM
2051
N
LEU
106
16.066
6.334
33.280
1.00
31.18
A

ATOM
2052
CA
LEU
106
16.139
6.866
34.642
1.00
32.29
A

ATOM
2053
CB
LEU
106
14.751
7.321
35.122
1.00
34.54
A

ATOM
2054
CG
LEU
106
14.705
8.141
36.423
1.00
36.02
A

ATOM
2055
CD1
LEU
106
15.605
9.371
36.341
1.00
36.26
A

ATOM
2056
CD2
LEU
106
13.284
8.557
36.701
1.00
37.24
A

ATOM
2057
C
LEU
106
16.840
6.041
35.725
1.00
31.14
A

ATOM
2058
O
LEU
106
17.700
6.551
36.439
1.00
32.97
A

ATOM
2059
N
PRO
107
16.485
4.765
35.870
1.00
29.97
A

ATOM
2060
CD
PRO
107
15.406
4.003
35.222
1.00
29.86
A

ATOM
2061
CA
PRO
107
17.145
3.964
36.904
1.00
30.08
A

ATOM
2062
CB
PRO
107
16.344
2.663
36.880
1.00
29.81
A

ATOM
2063
CG
PRO
107
15.831
2.594
35.471
1.00
28.63
A

ATOM
2064
C
PRO
107
18.630
3.711
36.672
1.00
29.61
A

ATOM
2065
O
PRO
107
19.361
3.330
37.590
1.00
31.63
A

ATOM
2066
N
HIS
108
19.075
3.917
35.444
1.00
29.45
A

ATOM
2067
CA
HIS
108
20.468
3.685
35.085
1.00
28.69
A

ATOM
2068
CB
HIS
108
20.512
3.039
33.712
1.00
28.22
A

ATOM
2069
CG
HIS
108
19.661
1.820
33.606
1.00
27.30
A

ATOM
2070
CD2
HIS
108
18.446
1.630
33.047
1.00
26.75
A

ATOM
2071
ND1
HIS
108
20.029
0.608
34.150
1.00
28.84
A

ATOM
2072
CE1
HIS
108
19.073
−0.279
33.930
1.00
27.04
A

ATOM
2073
NE2
HIS
108
18.102
0.318
33.262
1.00
30.85
A

ATOM
2074
C
HIS
108
21.321
4.944
35.083
1.00
29.30
A

ATOM
2075
O
HIS
108
22.551
4.887
35.004
1.00
30.33
A

ATOM
2076
N
ILE
109
20.674
6.089
35.195
1.00
29.22
A

ATOM
2077
CA
ILE
109
21.394
7.338
35.176
1.00
28.21
A

ATOM
2078
CB
ILE
109
20.402
8.496
35.036
1.00
26.19
A

ATOM
2079
CG2
ILE
109
21.037
9.813
35.447
1.00
23.27
A

ATOM
2060
CG1
ILE
109
19.893
8.481
33.582
1.00
25.41
A

ATOM
2081
CD1
ILE
109
18.679
9.316
33.294
1.00
22.28
A

ATOM
2082
C
ILE
109
22.470
7.513
36.260
1.00
29.56
A

ATOM
2085
CD
PRO
110
20.887
6.701
38.070
1.00
30.02
A

ATOM
2104
SD
MET
112
23.056
6.809
31.278
1.00
25.13
A

ATOM
2105
CE
MET
112
21.944
5.476
31.057
1.00
22.48
A

ATOM
2231
ND2
ASN
128
21.001
16.794
33.841
1.00
31.36
A

ATOM
2234
N
VAL
129
22.726
13.668
33.353
1.00
24.69
A

ATOM
2235
CA
VAL
129
22.195
12.881
32.245
1.00
23.70
A

ATOM
2236
CB
VAL
129
22.696
11.412
32.248
1.00
21.95
A

ATOM
2237
CG1
VAL
129
22.096
10.674
31.081
1.00
18.56
A

ATOM
2239
C
VAL
129
20.677
12.876
32.425
1.00
25.23
A

ATOM
2240
O
VAL
129
20.180
12.829
33.558
1.00
24.42
A

ATOM
2241
N
LYS
130
19.935
12.980
31.332
1.00
24.56
A

ATOM
2242
CA
LYS
130
18.484
12.953
31.435
1.00
25.99
A

ATOM
2243
CB
LYS
130
17.909
14.366
31.514
1.00
28.08
A

ATOM
2244
CG
LYS
130
17.922
15.142
30.219
1.00
31.65
A

ATOM
2245
CD
LYS
130
17.465
16.574
30.450
1.00
31.66
A

ATOM
2246
CE
LYS
130
18.568
17.409
31.046
1.00
29.76
A

ATOM
2247
NZ
LYS
130
19.659
17.570
30.045
1.00
27.46
A

ATOM
2248
C
LYS
130
17.952
12.216
30.229
1.00
26.66
A

ATOM
2249
O
LYS
130
18.725
11.859
29.338
1.00
28.90
A

ATOM
2250
N
ALA
131
16.651
11.955
30.206
1.00
26.92
A

ATOM
2251
CA
ALA
131
16.049
11.251
29.085
1.00
23.86
A

ATOM
2252
CB
ALA
131
15.967
9.765
29.385
1.00
22.73
A

ATOM
2253
C
ALA
131
14.670
11.807
28.783
1.00
24.68
A

ATOM
2254
O
ALA
131
14.085
12.519
29.600
1.00
23.54
A

ATOM
2255
N
THR
132
14.201
11.552
27.568
1.00
25.97
A

ATOM
2256
CA
THR
132
12.877
11.967
27.124
1.00
26.10
A

ATOM
2257
CB
THR
132
12.828
13.452
26.697
1.00
27.03
A

ATOM
2258
OG1
THR
132
11.461
13.837
26.503
1.00
29.47
A

ATOM
2259
CG2
THR
132
13.593
13.684
25.387
1.00
24.88
A

ATOM
2260
C
THR
132
12.512
11.094
25.933
1.00
28.23
A

ATOM
2261
O
THR
132
13.390
10.531
25.275
1.00
30.55
A

ATOM
2262
N
THR
133
11.217
10.916
25.705
1.00
29.76
A

ATOM
2263
CA
THR
133
10.739
10.135
24.570
1.00
29.38
A

ATOM
2264
CB
THR
133
9.517
9.240
24.924
1.00
28.88
A

ATOM
2265
OG1
THR
133
8.375
10.064
25.172
1.00
29.30
A

ATOM
2266
CG2
THR
133
9.772
8.381
26.143
1.00
27.35
A

ATOM
2267
C
THR
133
10.226
11.199
23.609
1.00
31.22
A

ATOM
2268
O
THR
133
10.081
12.369
23.991
1.00
29.70
A

ATOM
2269
N
THR
134
9.982
10.813
22.364
1.00
32.68
A

ATOM
2270
CA
THR
134
9.431
11.747
21.395
1.00
32.99
A

ATOM
2271
CB
THR
134
10.172
11.671
20.061
1.00
31.58
A

ATOM
2272
OG1
THR
134
10.319
10.300
19.680
1.00
33.34
A

ATOM
2273
CG2
THR
134
11.545
12.304
20.191
1.00
30.28
A

ATOM
2274
C
THR
134
7.932
11.437
21.214
1.00
34.41
A

ATOM
2275
O
THR
134
7.360
11.675
20.147
1.00
36.43
A

ATOM
2276
N
GLU
135
7.317
10.887
22.267
1.00
33.19
A

ATOM
2277
CA
GLU
135
5.894
10.539
22.285
1.00
33.15
A

ATOM
2278
CB
GLU
135
5.049
11.814
22.377
1.00
34.19
A

ATOM
2279
CG
GLU
135
5.467
12.785
23.484
1.00
38.74
A

ATOM
2280
CD
GLU
135
5.037
12.356
24.875
1.00
42.35
A

ATOM
2281
OE1
GLU
135
5.454
13.003
25.860
1.00
45.39
A

ATOM
22B2
OE2
GLU
135
4.262
11.393
25.003
1.00
45.66
A

ATOM
2283
C
GLU
135
5.432
9.691
21.089
1.00
32.18
A

ATOM
2284
O
GLU
135
4.454
10.019
20.420
1.00
31.74
A

ATOM
2285
N
LYS
136
6.133
8.594
20.832
1.00
31.68
A

ATOM
2286
CA
LYS
136
5.813
7.697
19.723
1.00
31.84
A

ATOM
2287
CB
LYS
136
4.390
7.166
19.848
1.00
33.28
A

ATOM
2288
CG
LYS
136
4.159
6.241
21.023
1.00
36.29
A

ATOM
2294
N
LEU
137
6.398
9.572
18.285
1.00
30.53
A

ATOM
2318
CA
THR
140
12.811
7.171
18.087
1.00
29.27
A

ATOM
2319
CB
THR
140
13.272
8.423
18.879
1.00
26.16
A

ATOM
2320
OG1
THR
140
12.611
9.580
18.343
1.00
32.68
A

ATOM
2321
CG2
THR
140
14.777
8.613
18.772
1.00
21.89
A

ATOM
2322
C
THR
140
11.461
6.684
18.644
1.00
30.26
A

ATOM
2323
O
THR
140
11.398
5.673
19.348
1.00
32.42
A

ATOM
2324
N
GLY
141
10.389
7.404
18.307
1.00
30.28
A

ATOM
2325
CA
GLY
141
9.057
7.058
18.765
1.00
27.95
A

ATOM
2354
C
GLY
145
16.725
4.673
18.433
1.00
26.68
A

ATOM
2355
O
GLY
145
15.654
5.042
18.916
1.00
29.22
A

ATOM
2356
N
ILE
146
17.906
5.043
18.912
1.00
26.69
A

ATOM
2357
CA
ILE
146
18.043
5.955
20.043
1.00
26.50
A

ATOM
2358
CB
ILE
146
18.733
5.275
21.264
1.00
25.26
A

ATOM
2359
CG2
ILE
146
18.969
6.276
22.370
1.00
27.32
A

ATOM
2360
CG1
ILE
146
17.858
4.159
21.823
1.00
25.91
A

ATOM
2361
CD1
ILE
146
18.446
3.487
23.050
1.00
26.47
A

ATOM
2362
C
ILE
146
18.903
7.118
19.573
1.00
26.22
A

ATOM
2364
N
ALA
147
18.549
8.320
19.992
1.00
25.37
A

ATOM
2367
C
ALA
147
19.810
10.047
20.939
1.00
24.10
A

ATOM
2368
O
ALA
147
19.381
9.597
22.002
1.00
26.14
A

ATOM
2470
OHH
SOL
510
15.399
−1.988
30.943
1.00
46.57
A

ATOM
2475
OHH
SOL
515
5.067
7.879
24.779
1.00
53.99
A

ATOM
2481
OHH
SOL
521
9.757
5.702
28.954
1.00
69.84
A

ATOM
2483
OHH
SOL
524
9.787
1.438
21.253
1.00
38.76
A

ATOM
2491
OHH
SOL
532
17.691
12.757
35.616
1.00
46.29
A

ATOM
2493
OHH
SOL
535
12.858
2.239
21.394
1.00
42.02
A

ATOM
2496
OHH
SOL
538
12.112
−0.139
29.683
1.00
53.96
A

ATOM
2505
OHH
SOL
549
11.208
−1.632
27.508
1.00
56.30
A

ATOM
2513
OHH
SOL
560
7.130
3.066
25.196
1.00
61.58
A

ATOM
2534
OHH
SOL
592
9.715
2.253
28.640
1.00
61.78
A

ATOM
2580
N
PHE
7
15.414
18.977
25.681
1.00
26.44
A

ATOM
2581
CA
PHE
7
14.727
18.655
24.437
1.00
26.21
A

ATOM
2582
CB
PHE
7
15.564
17.696
23.578
1.00
25.04
A

ATOM
2583
CG
PHE
7
14.849
17.211
22.335
1.00
26.03
A

ATOM
2585
CD2
PHE
7
14.230
15.964
22.309
1.00
27.92
A

ATOM
2587
CE2
PHE
7
13.525
15.528
21.184
1.00
26.33
A

ATOM
2589
C
PHE
7
13.409
17.994
24.814
1.00
27.17
A

ATOM
2590
O
PHE
7
13.383
17.152
25.715
1.00
29.65
A

ATOM
2591
N
ASP
8
12.321
18.385
24.154
1.00
27.46
A

ATOM
2592
CA
ASP
8
11.013
17.794
24.429
1.00
26.30
A

ATOM
2593
CB
ASP
8
10.289
18.580
25.521
1.00
26.02
A

ATOM
2594
CG
ASP
8
9.106
17.821
26.107
1.00
29.20
A

ATOM
2595
OD1
ASP
8
8.210
18.477
26.665
1.00
30.79
A

ATOM
2596
OD2
ASP
8
9.053
16.573
26.016
1.00
28.76
A

ATOM
2597
C
ASP
8
10.153
17.727
23.160
1.00
28.12
A

ATOM
2598
O
ASP
8
10.383
18.476
22.193
1.00
28.21
A

ATOM
2599
N
VAL
9
9.190
16.803
23.157
1.00
27.98
A

ATOM
2600
CA
VAL
9
8.272
16.589
22.035
1.00
26.18
A

ATOM
2601
CB
VAL
9
8.750
15.421
21.108
1.00
23.97
A

ATOM
2602
CG1
VAL
9
7.679
15.052
20.107
1.00
21.03
A

ATOM
2603
CG2
VAL
9
10.001
15.802
20.365
1.00
23.62
A

ATOM
2604
C
VAL
9
6.892
16.210
22.579
1.00
28.29
A

ATOM
2605
O
VAL
9
6.787
15.542
23.617
1.00
29.03
A

ATOM
2606
N
HIS
10
5.843
16.718
21.931
1.00
29.48
A

ATOM
2607
CA
HIS
10
4.451
16.397
22.277
1.00
29.70
A

ATOM
2608
CB
HIS
10
3.829
17.402
23.251
1.00
28.20
A

ATOM
2609
CG
HIS
10
4.289
17.204
24.661
1.00
28.51
A

ATOM
2610
CD2
HIS
10
5.099
17.950
25.450
1.00
28.35
A

ATOM
2611
ND1
HIS
10
4.022
16.053
25.367
1.00
26.73
A

ATOM
2612
CE1
HIS
10
4.654
16.095
26.528
1.00
28.80
A

ATOM
2613
NE2
HIS
10
5.317
17.236
26.605
1.00
29.81
A

ATOM
2614
C
HIS
10
3.657
16.266
20.991
1.00
29.38
A

ATOM
2615
O
HIS
10
3.903
16.982
20.025
1.00
31.41
A

ATOM
2616
N
ALA
11
2.793
15.269
20.942
1.00
28.56
A

ATOM
2617
CA
ALA
11
2.005
15.010
19.763
1.00
28.78
A

ATOM
2620
O
ALA
11
0.157
16.061
20.835
1.00
32.69
A

ATOM
2675
O
ILE
19
2.071
25.130
25.135
1.00
31.55
A

ATOM
2760
CA
LEU
31
−1.193
18.914
22.240
1.00
34.62
A

ATOM
2761
CB
LEU
31
0.035
19.724
22.648
1.00
29.44
A

ATOM
2762
CG
LEU
31
0.742
20.483
21.537
1.00
26.01
A

ATOM
2763
CD1
LEU
31
1.805
21.379
22.131
1.00
29.50
A

ATOM
2765
C
LEU
31
−1.528
17.926
23.348
1.00
35.56
A

ATOM
2766
O
LEU
31
−2.110
18.297
24.361
1.00
36.85
A

ATOM
2767
N
LEU
32
−1.159
16.669
23.148
1.00
37.12
A

ATOM
2768
CA
LEU
32
−1.396
15.618
24.132
1.00
39.24
A

ATOM
2769
CB
LEU
32
−1.482
14.277
23.414
1.00
37.00
A

ATOM
2770
CG
LEU
32
−2.552
14.127
22.336
1.00
38.26
A

ATOM
2773
C
LEU
32
−0.260
15.554
25.170
1.00
42.63
A

ATOM
2774
O
LEU
32
0.923
15.531
24.800
1.00
45.83
A

ATOM
2775
N
ALA
33
−0.602
15.521
26.458
1.00
44.75
A

ATOM
2776
CA
ALA
33
0.402
15.425
27.526
1.00
47.26
A

ATOM
2777
CB
ALA
33
1.311
16.647
27.514
1.00
45.99
A

ATOM
2778
C
ALA
33
−0.256
15.277
28.897
1.00
49.59
A

ATOM
2779
O
ALA
33
−1.460
15.514
29.031
1.00
53.59
A

ATOM
2780
N
HIS
34
0.524
14.857
29.899
1.00
50.40
A

ATOM
2781
CA
HIS
34
0.030
14.707
31.276
1.00
49.48
A

ATOM
2782
CB
HIS
34
1.118
14.095
32.172
1.00
52.23
A

ATOM
2783
CG
HIS
34
0.669
13.797
33.574
1.00
55.73
A

ATOM
2784
CD2
HIS
34
1.269
14.028
34.768
1.00
55.33
A

ATOM
2785
ND1
HIS
34
−0.512
13.144
33.862
1.00
56.32
A

ATOM
2786
CE1
HIS
34
−0.617
12.983
35.170
1.00
55.92
A

ATOM
2787
NE2
HIS
34
0.450
13.510
35.742
1.00
55.37
A

ATOM
2788
C
HIS
34
−0.375
16.084
31.825
1.00
48.04
A

ATOM
2789
O
HIS
34
−1.447
16.233
32.417
1.00
47.66
A

ATOM
2790
N
SER
35
0.513
17.064
31.655
1.00
45.72
A

ATOM
2791
CA
SER
35
0.302
18.443
32.088
1.00
42.28
A

ATOM
2792
CB
SER
35
1.655
19.103
32.385
1.00
41.47
A

ATOM
2793
OG
SER
35
2.417
19.299
31.196
1.00
40.82
A

ATOM
2794
C
SER
35
−0.366
19.143
30.911
1.00
41.34
A

ATOM
2795
O
SER
35
−0.996
18.487
30.084
1.00
41.92
A

ATOM
2796
N
ASP
36
−0.207
20.459
30.812
1.00
40.50
A

ATOM
2797
CA
ASP
36
−0.777
21.219
29.698
1.00
39.44
A

ATOM
2798
CB
ASP
36
−0.792
22.716
30.014
1.00
37.49
A

ATOM
2799
CG
ASP
36
0.576
23.253
30.347
1.00
37.91
A

ATOM
2800
OD1
ASP
36
0.667
24.428
30.743
1.00
37.37
A

ATOM
2801
OD2
ASP
36
1.569
22.500
30.237
1.00
39.99
A

ATOM
2802
C
ASP
36
−0.004
20.963
28.393
1.00
39.66
A

ATOM
2803
O
ASP
36
−0.342
21.522
27.346
1.00
40.47
A

ATOM
2804
N
GLY
37
1.066
20.167
28.484
1.00
38.52
A

ATOM
2805
CA
GLY
37
1.858
19.814
27.318
1.00
33.83
A

ATOM
2806
C
GLY
37
2.729
20.889
26.709
1.00
32.50
A

ATOM
2807
O
GLY
37
3.165
20.755
25.565
1.00
33.84
A

ATOM
2808
N
ASP
38
3.039
21.924
27.476
1.00
29.56
A

ATOM
2809
CA
ASP
38
3.871
23.012
26.987
1.00
28.09
A

ATOM
2810
CB
ASP
38
3.906
24.115
28.032
1.00
25.91
A

ATOM
2811
CG
ASP
38
4.404
25.415
27.486
1.00
27.62
A

ATOM
2812
OD1
ASP
38
5.354
25.413
26.678
1.00
30.71
A

ATOM
2814
C
ASP
38
5.286
22.524
26.660
1.00
29.07
A

ATOM
2815
O
ASP
38
6.156
22.465
27.532
1.00
31.45
A

ATOM
2816
N
VAL
39
5.517
22.178
25.399
1.00
29.41
A

ATOM
2817
CA
VAL
39
6.813
21.664
24.952
1.00
28.18
A

ATOM
2818
CB
VAL
39
6.830
21.356
23.441
1.00
28.03
A

ATOM
2819
CG1
VAL
39
7.820
20.262
23.154
1.00
26.99
A

ATOM
2820
CG2
VAL
39
5.476
20.972
22.955
1.00
31.58
A

ATOM
2821
C
VAL
39
7.979
22.610
25.206
1.00
28.87
A

ATOM
2822
O
VAL
39
9.085
22.158
25.495
1.00
29.58
A

ATOM
2823
N
ALA
40
7.743
23.913
25.069
1.00
27.43
A

ATOM
2824
CA
ALA
40
8.793
24.906
25.255
1.00
26.33
A

ATOM
2826
C
ALA
40
9.256
25.033
26.696
1.00
27.55
A

ATOM
2827
O
ALA
40
10.452
25.112
26.964
1.00
30.12
A

ATOM
2828
N
LEU
41
8.315
25.073
27.631
1.00
28.00
A

ATOM
2829
CA
LEU
41
8.686
25.204
29.028
1.00
25.15
A

ATOM
2830
CB
LEU
41
7.519
25.715
29.863
1.00
24.20
A

ATOM
2834
C
LEU
41
9.281
23.923
29.596
1.00
26.22
A

ATOM
2835
O
LEU
41
10.148
23.986
30.470
1.00
27.34
A

ATOM
2836
N
HIS
42
8.856
22.768
29.084
1.00
25.42
A

ATOM
2837
CA
HIS
42
9.423
21.496
29.538
1.00
25.30
A

ATOM
2838
CB
HIS
42
8.715
20.303
28.915
1.00
23.59
A

ATOM
2839
CG
HIS
42
7.323
20.087
29.418
1.00
23.47
A

ATOM
2840
CD2
HIS
42
6.586
20.777
30.321
1.00
23.78
A

ATOM
2841
ND1
HIS
42
6.524
19.052
28.975
1.00
25.59
A

ATOM
2842
CE1
HIS
42
5.352
19.121
29.586
1.00
24.57
A

ATOM
2843
NE2
HIS
42
5.365
20.156
30.407
1.00
21.77
A

ATOM
2844
C
HIS
42
10.886
21.460
29.116
1.00
26.73
A

ATOM
2845
O
HIS
42
11.767
21.210
29.929
1.00
29.62
A

ATOM
2846
N
ALA
43
11.149
21.743
27.846
1.00
26.96
A

ATOM
2847
CA
ALA
43
12.516
21.750
27.352
1.00
25.91
A

ATOM
2848
CB
ALA
43
12.540
22.094
25.895
1.00
22.86
A

ATOM
2849
C
ALA
43
13.336
22.755
28.159
1.00
27.38
A

ATOM
2850
O
ALA
43
14.436
22.438
28.619
1.00
29.77
A

ATOM
2851
N
LEU
44
12.784
23.944
28.382
1.00
26.03
A

ATOM
2859
N
THR
45
12.825
23.795
31.189
1.00
30.23
A

ATOM
2860
CA
THR
45
12.993
23.258
32.533
1.00
30.10
A

ATOM
2861
CB
THR
45
11.680
22.616
33.023
1.00
30.18
A

ATOM
2862
OG1
THR
45
10.610
23.557
32.858
1.00
29.12
A

ATOM
2863
CG2
THR
45
11.783
22.218
34.497
1.00
29.79
A

ATOM
2864
C
THR
45
14.140
22.241
32.596
1.00
30.61
A

ATOM
2865
O
THR
45
14.969
22.292
33.507
1.00
32.51
A

ATOM
2866
N
ASP
46
14.202
21.332
31.631
1.00
28.53
A

ATOM
2867
CA
ASP
46
15.264
20.340
31.599
1.00
27.70
A

ATOM
2868
CB
ASP
46
15.056
19.374
30.437
1.00
31.90
A

ATOM
2869
CG
ASP
46
14.247
18.164
30.824
1.00
33.90
A

ATOM
2870
OD1
ASP
46
13.982
17.313
29.942
1.00
34.98
A

ATOM
2871
OD2
ASP
46
13.888
18.050
32.010
1.00
32.31
A

ATOM
2889
CB
LEU
49
16.598
20.330
35.847
1.00
26.37
A

ATOM
2890
CG
LEU
49
15.281
20.770
36.482
1.00
26.75
A

ATOM
2891
CD1
LEU
49
14.187
19.720
36.320
1.00
24.67
A

ATOM
2920
C
LEU
54
18.424
17.133
38.584
1.00
31.59
A

ATOM
2921
O
LEU
54
17.373
16.711
39.063
1.00
34.28
A

ATOM
2922
N
GLY
55
18.916
16.673
37.444
1.00
32.54
A

ATOM
2923
CA
GLY
55
18.215
15.644
36.708
1.00
32.79
A

ATOM
2924
C
GLY
55
17.378
16.161
35.574
1.00
35.07
A

ATOM
2925
O
GLY
55
17.891
16.811
34.658
1.00
34.84
A

ATOM
2926
N
ASP
56
16.093
15.832
35.617
1.00
36.63
A

ATOM
2927
CA
ASP
56
15.166
16.264
34.592
1.00
37.80
A

ATOM
2928
CB
ASP
56
15.212
15.330
33.369
1.00
37.51
A

ATOM
2929
CG
ASP
56
14.741
13.918
33.671
1.00
36.92
A

ATOM
2930
OD1
ASP
56
13.770
13.760
34.433
1.00
35.45
A

ATOM
2931
OD2
ASP
56
15.328
12.956
33.122
1.00
38.80
A

ATOM
2932
C
ASP
56
13.752
16.394
35.161
1.00
38.48
A

ATOM
2933
O
ASP
56
13.478
15.937
36.277
1.00
38.67
A

ATOM
2934
N
ILE
57
12.862
16.968
34.354
1.00
38.06
A

ATOM
2935
CA
ILE
57
11.473
17.232
34.709
1.00
36.63
A

ATOM
2936
CB
ILE
57
10.744
17.987
33.550
1.00
33.47
A

ATOM
2937
CG2
ILE
57
10.316
17.035
32.445
1.00
31.29
A

ATOM
2938
CG1
ILE
57
9.516
18.709
34.068
1.00
31.65
A

ATOM
2939
CD1
ILE
57
8.865
19.543
33.014
1.00
32.03
A

ATOM
2940
C
ILE
57
10.683
16.007
35.148
1.00
38.59
A

ATOM
2941
O
ILE
57
9.933
16.077
36.115
1.00
39.40
A

ATOM
2942
N
GLY
58
10.886
14.876
34.480
1.00
40.97
A

ATOM
2943
CA
GLY
58
10.158
13.672
34.835
1.00
43.78
A

ATOM
2944
C
GLY
58
10.533
13.143
36.205
1.00
46.85
A

ATOM
2945
O
GLY
58
9.703
12.591
36.926
1.00
48.60
A

ATOM
2946
N
LYS
59
11.793
13.325
36.568
1.00
49.62
A

ATOM
2947
CA
LYS
59
12.309
12.870
37.850
1.00
51.87
A

ATOM
2948
CB
LYS
59
13.826
13.018
37.852
1.00
53.55
A

ATOM
2949
CG
LYS
59
14.516
12.534
39.086
1.00
56.93
A

ATOM
2950
CD
LYS
59
15.859
13.206
39.156
1.00
60.39
A

ATOM
2951
CE
LYS
59
16.653
12.776
40.366
1.00
62.70
A

ATOM
2952
NZ
LYS
59
17.878
13.622
40.468
1.00
67.42
A

ATOM
2953
C
LYS
59
11.690
13.660
39.007
1.00
52.21
A

ATOM
2959
O
LYS
59
11.385
13.094
40.054
1.00
53.64
A

ATOM
2955
N
LEU
60
11.529
14.968
38.815
1.00
51.56
A

ATOM
2956
CA
LEU
60
10.938
15.852
39.823
1.00
50.00
A

ATOM
2957
CB
LEU
60
11.437
17.286
39.640
1.00
49.26
A

ATOM
2958
CG
LEU
60
12.752
17.734
40.269
1.00
51.25
A

ATOM
2959
CD1
LEU
60
13.946
16.954
39.719
1.00
51.11
A

ATOM
2960
CD2
LEU
60
12.898
19.226
40.014
1.00
51.47
A

ATOM
2961
C
LEU
60
9.403
15.882
39.821
1.00
49.29
A

ATOM
2962
O
LEU
60
8.787
16.098
40.864
1.00
49.22
A

ATOM
2963
N
PHE
61
8.791
15.735
38.649
1.00
48.60
A

ATOM
2964
CA
PHE
61
7.338
15.771
38.537
1.00
48.74
A

ATOM
2965
CB
PHE
61
6.882
17.114
37.934
1.00
46.51
A

ATOM
2966
CG
PHE
61
7.650
18.314
38.447
1.00
45.75
A

ATOM
2967
CD1
PHE
61
7.583
18.690
39.783
1.00
43.79
A

ATOM
2968
CD2
PHE
61
8.474
19.045
37.592
1.00
45.32
A

ATOM
2969
CE1
PHE
61
8.330
19.772
40.261
1.00
43.44
A

ATOM
2970
CE2
PHE
61
9.224
20.129
38.063
1.00
44.22
A

ATOM
2971
CZ
PHE
61
9.152
20.490
39.400
1.00
43.06
A

ATOM
2972
C
PHE
61
6.851
14.603
37.669
1.00
50.87
A

ATOM
2973
O
PHE
61
6.485
14.787
36.517
1.00
51.44
A

ATOM
2974
N
PRO
62
6.797
13.390
38.241
1.00
53.60
A

ATOM
2975
CD
PRO
62
7.179
13.137
39.641
1.00
54.38
A

ATOM
2976
CA
PRO
62
6.372
12.139
37.600
1.00
56.25
A

ATOM
2977
CB
PRO
62
6.334
11.167
38.775
1.00
55.31
A

ATOM
2978
CG
PRO
62
7.434
11.656
39.641
1.00
53.95
A

ATOM
2979
C
PRO
62
5.045
12.107
36.827
1.00
59.40
A

ATOM
2980
O
PRO
62
4.006
12.545
37.326
1.00
59.70
A

ATOM
2981
N
ASP
63
5.095
11.501
35.639
1.00
63.52
A

ATOM
2982
CA
ASP
63
3.942
11.320
34.746
1.00
67.07
A

ATOM
2983
CB
ASP
63
4.357
10.503
33.513
1.00
70.08
A

ATOM
2984
CG
ASP
63
4.730
11.372
32.325
1.00
75.30
A

ATOM
2985
OD1
ASP
63
5.113
12.548
32.525
1.00
79.11
A

ATOM
2986
OD2
ASP
63
4.632
10.879
31.178
1.00
76.30
A

ATOM
2987
C
ASP
63
2.836
10.551
35.449
1.00
68.14
A

ATOM
2988
O
ASP
63
1.655
10.678
35.116
1.00
68.67
A

ATOM
2989
N
THR
64
3.250
9.701
36.379
1.00
69.64
A

ATOM
2990
CA
THR
64
2.350
8.862
37.158
1.00
71.34
A

ATOM
2991
CB
THR
64
3.136
7.690
37.812
1.00
72.58
A

ATOM
2992
OG1
THR
64
4.304
8.192
38.483
1.00
73.91
A

ATOM
2993
CG2
THR
64
3.568
6.683
36.749
1.00
73.09
A

ATOM
2994
C
THR
64
1.571
9.635
38.228
1.00
70.96
A

ATOM
2995
O
THR
64
0.366
9.427
38.404
1.00
72.17
A

ATOM
2996
N
ASP
65
2.260
10.536
38.922
1.00
69.78
A

ATOM
2997
CA
ASP
65
1.647
11.333
39.969
1.00
67.92
A

ATOM
2998
CB
ASP
65
2.697
12.216
40.630
1.00
68.89
A

ATOM
2999
CG
ASP
65
2.212
12.836
41.923
1.00
70.13
A

ATOM
3000
OD1
ASP
65
0.994
13.069
42.064
1.00
71.39
A

ATOM
3001
OD2
ASP
65
3.057
13.091
42.807
1.00
71.48
A

ATOM
3002
C
ASP
65
0.525
12.182
39.381
1.00
67.48
A

ATOM
3003
O
ASP
65
0.766
13.103
38.591
1.00
65.87
A

ATOM
3004
N
PRO
66
−0.725
11.876
39.764
1.00
68.09
A

ATOM
3005
CD
PRO
66
−1.038
10.836
40.762
1.00
69.04
A

ATOM
3006
CA
PRO
66
−1.952
12.553
39.325
1.00
68.48
A

ATOM
3007
CB
PRO
66
−3.051
11.725
39.990
1.00
68.61
A

ATOM
3008
CG
PRO
66
−2.398
11.265
41.254
1.00
69.34
A

ATOM
3009
C
PRO
66
−2.031
14.026
39.728
1.00
68.29
A

ATOM
3010
O
PRO
66
−2.894
14.769
39.246
1.00
68.55
A

ATOM
3011
N
ALA
67
−1.126
14.446
40.603
1.00
67.34
A

ATOM
3012
CA
ALA
67
−1.079
15.828
41.053
1.00
67.20
A

ATOM
3013
CB
ALA
67
−0.128
15.949
42.227
1.00
68.19
A

ATOM
3014
C
ALA
67
−0.623
16.744
39.912
1.00
66.93
A

ATOM
3015
O
ALA
67
−0.897
17.950
39.903
1.00
67.19
A

ATOM
3016
N
PHE
68
0.065
16.157
38.941
1.00
65.52
A

ATOM
3017
CA
PHE
68
0.572
16.916
37.814
1.00
63.77
A

ATOM
3018
CB
PHE
68
1.995
16.458
37.504
1.00
61.81
A

ATOM
3019
CG
PHE
68
2.851
16.310
38.725
1.00
59.89
A

ATOM
3020
CD1
PHE
68
3.478
15.106
39.008
1.00
59.01
A

ATOM
3021
CD2
PHE
68
3.014
17.372
39.607
1.00
58.70
A

ATOM
3022
CE1
PHE
68
4.257
14.962
40.153
1.00
57.86
A

ATOM
3023
CE2
PHE
68
3.790
17.236
40.753
1.00
57.41
A

ATOM
3024
CZ
PHE
68
4.413
16.029
41.026
1.00
57.49
A

ATOM
3025
C
PHE
68
−0.304
16.813
36.574
1.00
63.76
A

ATOM
3026
O
PHE
68
0.142
17.152
35.475
1.00
64.40
A

ATOM
3027
N
LYS
69
−1.534
16.329
36.725
1.00
63.50
A

ATOM
3028
CA
LYS
69
−2.409
16.219
35.565
1.00
65.34
A

ATOM
3029
CB
LYS
69
−3.482
15.153
35.741
1.00
67.60
A

ATOM
3030
CG
LYS
69
−4.252
14.950
34.446
1.00
72.47
A

ATOM
3031
CD
LYS
69
−5.478
14.094
34.620
1.00
78.38
A

ATOM
3034
C
LYS
69
−3.070
17.554
35.232
1.00
64.26
A

ATOM
3035
O
LYS
69
−3.791
18.122
36.054
1.00
65.40
A

ATOM
3036
N
GLY
70
−2.855
18.018
34.003
1.00
61.40
A

ATOM
3037
CA
GLY
70
−3.399
19.288
33.569
1.00
57.42
A

ATOM
3038
C
GLY
70
−2.577
20.415
34.166
1.00
55.41
A

ATOM
3039
O
GLY
70
−2.903
21.587
33.983
1.00
56.80
A

ATOM
3040
N
ALA
71
−1.480
20.055
34.833
1.00
52.44
A

ATOM
3041
CA
ALA
71
−0.595
21.015
35.491
1.00
50.60
A

ATOM
3042
CB
ALA
71
0.616
20.289
36.108
1.00
47.83
A

ATOM
3043
C
ALA
71
−0.125
22.159
34.587
1.00
49.05
A

ATOM
3044
O
ALA
71
0.074
21.980
33.379
1.00
50.42
A

ATOM
3045
N
ASP
72
0.017
23.335
35.187
1.00
44.70
A

ATOM
3046
CA
ASP
72
0.475
24.524
34.497
1.00
39.54
A

ATOM
3051
C
ASP
72
1.990
24.363
34.434
1.00
38.34
A

ATOM
3052
O
ASP
72
2.664
24.429
35.464
1.00
39.34
A

ATOM
3053
N
SER
73
2.537
24.143
33.242
1.00
34.94
A

ATOM
3054
CA
SER
73
3.978
23.981
33.111
1.00
31.43
A

ATOM
3055
CB
SER
73
4.368
23.704
31.667
1.00
30.77
A

ATOM
3056
OG
SER
73
3.937
22.413
31.269
1.00
28.57
A

ATOM
3057
C
SER
73
4.777
25.150
33.681
1.00
31.01
A

ATOM
3058
O
SER
73
5.972
25.014
33.953
1.00
31.19
A

ATOM
3059
N
ARG
74
4.133
26.301
33.850
1.00
30.67
A

ATOM
3070
N
GLU
75
3.997
26.475
36.510
1.00
36.19
A

ATOM
3077
C
GLU
75
5.281
25.211
38.110
1.00
38.61
A

ATOM
3079
N
LEU
76
5.443
24.271
37.182
1.00
36.17
A

ATOM
3080
CA
LEU
76
6.555
23.330
37.230
1.00
33.67
A

ATOM
3081
CB
LEU
76
6.384
22.231
36.181
1.00
35.59
A

ATOM
3082
CG
LEU
76
5.142
21.335
36.255
1.00
36.44
A

ATOM
3083
CD1
LEU
76
5.262
20.221
35.219
1.00
35.97
A

ATOM
3084
CD2
LEU
76
5.017
20.738
37.649
1.00
37.62
A

ATOM
3085
C
LEU
76
7.875
24.054
36.997
1.00
33.45
A

ATOM
3086
O
LEU
76
8.893
23.716
37.602
1.00
34.12
A

ATOM
3087
N
LEU
77
7.868
25.041
36.108
1.00
31.70
A

ATOM
3088
CA
LEU
77
9.077
25.794
35.831
1.00
31.76
A

ATOM
3089
CB
LEU
77
8.850
26.770
34.677
1.00
29.77
A

ATOM
3117
CB
ALA
80
12.225
23.224
37.937
1.00
34.83
A

ATOM
3630
O
ILE
146
6.933
18.806
19.846
1.00
27.98
A

ATOM
3638
CB
CYS
148
10.647
22.841
22.206
1.00
26.89
A

ATOM
3641
O
CYS
148
13.051
20.756
22.557
1.00
26.97
A

ATOM
3692
N1
CMP
669
12.364
8.686
30.549
1.00
38.40
A

ATOM
3693
C2
CMP
669
13.280
7.627
30.697
1.00
35.68
A

ATOM
3694
N3
CMP
669
13.732
6.891
29.641
1.00
33.85
A

ATOM
3695
C4
CMP
669
13.299
7.163
28.402
1.00
31.30
A

ATOM
3696
C5
CMP
669
12.400
8.196
28.191
1.00
31.13
A

ATOM
3697
C6
CMP
669
11.968
8.922
29.286
1.00
34.57
A

ATOM
3698
O2
CMP
669
13.740
7.284
31.799
1.00
36.82
A

ATOM
3699
N4
CMP
669
13.748
6.423
27.394
1.00
29.67
A

ATOM
3700
C1*
CMP
669
12.050
9.234
31.805
1.00
42.58
A

ATOM
3701
C2*
CMP
669
12.970
10.380
31.568
1.00
47.77
A

ATOM
3702
O2*
CMP
669
14.186
10.165
32.303
1.00
51.39
A

ATOM
3703
C3*
CMP
669
12.165
11.581
32.008
1.00
46.95
A

ATOM
3704
C4*
CMP
669
10.704
11.109
32.098
1.00
46.43
A

ATOM
3705
O4*
CMP
669
10.761
9.730
31.773
1.00
44.13
A

ATOM
3706
O3*
CMP
669
12.497
11.914
33.315
1.00
47.32
A

ATOM
3707
C5*
CMP
669
10.034
11.944
31.083
1.00
45.34
A

ATOM
3708
O5*
CMP
669
9.238
11.092
30.258
1.00
50.10
A

ATOM
3709
PA
CMP
669
8.560
11.617
28.833
1.00
50.19
A

ATOM
3710
O1A
CMP
669
9.312
10.986
27.655
1.00
52.54
A

ATOM
3711
O2A
CMP
669
7.095
11.145
28.834
1.00
52.90
A

ATOM
3712
O3A
CMP
669
8.646
13.284
28.723
1.00
55.89
A

ATOM
3713
ZN
ZN
300
6.895
17.558
27.745
1.00
36.09
A

ATOM
3714
C4
CDI
421
4.344
16.179
34.225
1.00
47.78
A

ATOM
3715
C3
CDI
421
5.368
16.103
33.048
1.00
48.15
A

ATOM
3716
OB4
CDI
421
4.735
15.382
31.950
1.00
48.37
A

ATOM
3717
PB
CDI
421
4.134
15.625
30.460
1.00
50.49
A

ATOM
3718
OB2
CDI
421
3.563
14.275
29.852
1.00
48.89
A

ATOM
3719
OB3
CDI
421
2.987
16.756
30.457
1.00
45.72
A

ATOM
3720
PA
CDI
421
6.563
14.965
29.544
1.00
41.22
A

ATOM
3721
OA3
CDI
421
7.209
14.553
30.965
1.00
46.68
A

ATOM
3722
OA1
CDI
421
6.256
13.700
28.652
1.00
42.46
A

ATOM
3723
OA2
CDI
421
7.472
15.975
28.721
1.00
36.91
A

ATOM
3724
C1
CDI
421
7.707
15.145
32.203
1.00
47.75
A

ATOM
3725
C2
CDI
421
6.663
15.276
33.377
1.00
47.14
A

ATOM
3726
O1
CDI
421
7.389
15.876
34.454
1.00
50.89
A

ATOM
3727
C5
CDI
421
5.753
17.558
32.653
1.00
46.72
A

ATOM
3728
O2
CDI
421
3.953
14.865
34.645
1.00
48.42
A

ATOM
3729
OB1
CDI
421
5.246
15.693
29.403
1.00
49.24
A

ATOM
3731
OHH
SOL
501
7.989
13.687
25.725
1.00
39.44
A

ATOM
3732
OHH
SOL
502
2.340
26.621
30.165
1.00
35.30
A

ATOM
3733
OHH
SOL
504
7.613
23.232
32.682
1.00
33.61
A

ATOM
3734
OHH
SOL
506
12.781
14.480
30.595
1.00
32.91
A

ATOM
3735
OHH
SOL
507
10.502
15.417
28.587
1.00
36.64
A

ATOM
3738
OHH
SOL
511
11.843
17.796
28.161
1.00
32.41
A

ATOM
3739
OHH
SOL
512
2.498
14.032
23.548
1.00
35.90
A

ATOM
3747
OHH
SOL
520
1.304
21.687
39.021
1.00
65.80
A

ATOM
3753
OHH
SOL
527
−0.048
22.788
25.120
1.00
48.13
A

ATOM
3757
OHH
SOL
531
3.365
13.208
27.540
1.00
44.73
A

ATOM
3764
OHH
SOL
539
6.906
18.915
43.372
1.00
66.68
A

ATOM
3774
OHH
SOL
551
−3.291
24.034
33.005
1.00
75.47
A

ATOM
3776
OHH
SOL
555
10.474
9.846
38.866
1.00
75.90
A

ATOM
3782
OHH
SOL
563
4.170
9.305
41.251
1.00
66.69
A

ATOM
3794
OHH
SOL
583
15.433
16.973
27.839
1.00
37.18
A

ATOM
3797
OHH
SOL
586
1.956
11.593
30.373
1.00
74.17
A

[0233]

5

Annex 1: Coordinates of structure cyt

ATOM
1
CB
MET
1
29.965
34.378
29.582
1.00
64.68
A

ATOM
2
CG
MET
1
31.136
34.198
28.685
1.00
74.36
A

ATOM
3
SD
MET
1
32.101
32.841
29.285
1.00
88.97
A

ATOM
4
CE
MET
1
33.613
33.734
29.803
1.00
89.11
A

ATOM
5
C
MET
1
27.684
34.972
28.857
1.00
57.18
A

ATOM
6
O
MET
1
26.930
34.692
29.780
1.00
58.31
A

ATOM
7
HT1
MET
1
28.597
36.131
30.990
0.00
0.00
A

ATOM
8
HT2
MET
1
28.453
37.366
29.854
0.00
0.00
A

ATOM
9
N
MET
1
29.061
36.593
30.179
1.00
61.29
A

ATOM
10
HT3
MET
1
30.019
36.903
30.418
0.00
0.00
A

ATOM
11
CA
MET
1
29.073
35.515
29.140
1.00
60.77
A

ATOM
12
N
ARG
2
27.347
34.803
27.588
1.00
53.30
A

ATOM
13
H
ARG
2
27.973
34.938
26.848
0.00
0.00
A

ATOM
14
CA
ARG
2
26.029
34.309
27.242
1.00
50.95
A

ATOM
15
CB
ARG
2
25.183
35.452
26.700
1.00
49.61
A

ATOM
16
CG
ARG
2
24.881
36.448
27.799
1.00
51.88
A

ATOM
17
CD
ARG
2
24.315
37.733
27.283
1.00
52.99
A

ATOM
18
NE
ARG
2
23.042
37.514
26.630
1.00
56.08
A

ATOM
19
HE
ARG
2
23.081
37.048
25.780
0.00
0.00
A

ATOM
20
CZ
ARG
2
21.859
37.849
27.138
1.00
58.76
A

ATOM
21
NH1
ARG
2
20.766
37.595
26.433
1.00
61.54
A

ATOM
22
HH11
ARG
2
20.824
37.136
25.545
0.00
0.00
A

ATOM
23
HH12
ARG
2
19.859
37.847
26.768
0.00
0.00
A

ATOM
24
NH2
ARG
2
21.761
38.387
28.354
1.00
58.40
A

ATOM
25
HH21
ARG
2
22.536
38.550
28.960
0.00
0.00
A

ATOM
26
HH22
ARG
2
20.854
38.651
28.733
0.00
0.00
A

ATOM
27
C
ARG
2
26.075
33.129
26.296
1.00
49.62
A

ATOM
28
O
ARG
2
27.010
32.993
25.513
1.00
50.93
A

ATOM
29
N
ILE
3
25.069
32.268
26.383
1.00
47.94
A

ATOM
30
H
ILE
3
24.290
32.466
26.945
0.00
0.00
A

ATOM
31
CA
ILE
3
25.010
31.072
25.558
1.00
47.03
A

ATOM
32
CB
ILE
3
24.781
29.844
26.443
1.00
47.80
A

ATOM
33
CG2
ILE
3
23.443
29.944
27.139
1.00
46.70
A

ATOM
34
CG1
ILE
3
24.830
28.568
25.617
1.00
48.83
A

ATOM
35
CD1
ILE
3
24.545
27.340
26.444
1.00
50.51
A

ATOM
36
C
ILE
3
23.885
31.163
24.549
1.00
45.56
A

ATOM
37
O
ILE
3
22.860
31.759
24.824
1.00
45.92
A

ATOM
38
N
GLY
4
24.062
30.565
23.385
1.00
44.38
A

ATOM
39
H
GLY
4
24.882
30.070
23.188
0.00
0.00
A

ATOM
40
CA
GLY
4
23.007
30.618
22.395
1.00
43.98
A

ATOM
41
C
GLY
4
22.856
29.286
21.702
1.00
42.90
A

ATOM
42
O
GLY
4
23.818
28.519
21.624
1.00
45.40
A

ATOM
43
N
HIS
5
21.656
28.989
21.219
1.00
40.24
A

ATOM
44
H
HIS
5
20.959
29.642
21.312
0.00
0.00
A

ATOM
45
CA
HIS
5
21.406
27.740
20.518
1.00
39.60
A

ATOM
46
CB
HIS
5
20.586
26.772
21.354
1.00
38.24
A

ATOM
47
CG
HIS
5
20.199
25.530
20.615
1.00
38.16
A

ATOM
48
CD2
HIS
5
20.874
24.374
20.392
1.00
37.49
A

ATOM
49
ND1
HIS
5
18.986
25.395
19.975
1.00
37.88
A

ATOM
50
HD1
HIS
5
18.239
26.037
19.949
0.00
0.00
A

ATOM
51
CE1
HIS
5
18.928
24.209
19.391
1.00
39.53
A

ATOM
52
NE2
HIS
5
20.059
23.570
19.631
1.00
37.92
A

ATOM
53
HE2
HIS
5
20.166
22.615
19.382
0.00
0.00
A

ATOM
54
C
HIS
5
20.652
27.972
19.239
1.00
40.41
A

ATOM
55
O
HIS
5
19.642
28.680
19.231
1.00
41.83
A

ATOM
56
N
GLY
6
21.088
27.293
18.165
1.00
39.46
A

ATOM
57
H
GLY
6
21.862
26.695
18.251
0.00
0.00
A

ATOM
58
CA
GLY
6
20.434
27.413
16.899
1.00
40.41
A

ATOM
59
C
GLY
6
20.152
26.043
16.314
1.00
40.56
A

ATOM
60
O
GLY
6
20.753
25.046
16.745
1.00
41.32
A

ATOM
61
N
PHE
7
19.234
25.991
15.352
1.00
38.82
A

ATOM
62
H
PHE
7
18.775
26.805
15.036
0.00
0.00
A

ATOM
63
CA
PHE
7
18.873
24.745
14.694
1.00
38.23
A

ATOM
64
CB
PHE
7
17.943
23.944
15.580
1.00
37.28
A

ATOM
65
CG
PHE
7
17.391
22.732
14.922
1.00
35.86
A

ATOM
66
CD1
PHE
7
17.992
21.508
15.093
1.00
35.35
A

ATOM
67
CD2
PHE
7
16.275
22.815
14.115
1.00
39.42
A

ATOM
68
CE1
PHE
7
17.495
20.377
14.468
1.00
35.48
A

ATOM
69
CE2
PHE
7
15.773
21.685
13.483
1.00
40.67
A

ATOM
70
CZ
PHE
7
16.389
20.463
13.662
1.00
35.86
A

ATOM
71
C
PHE
7
18.159
25.058
13.400
1.00
39.38
A

ATOM
72
O
PHE
7
17.287
25.924
13.391
1.00
41.84
A

ATOM
73
N
ASP
8
18.476
24.319
12.338
1.00
38.56
A

ATOM
74
H
ASP
8
19.154
23.613
12.408
0.00
0.00
A

ATOM
75
CA
ASP
8
17.849
24.542
11.042
1.00
39.61
A

ATOM
76
CB
ASP
8
18.566
25.681
10.325
1.00
41.99
A

ATOM
77
CG
ASP
8
17.855
26.120
9.060
1.00
45.27
A

ATOM
78
OD1
ASP
8
18.545
26.556
8.114
1.00
49.59
A

ATOM
79
OD2
ASP
8
16.612
26.035
8.999
1.00
48.12
A

ATOM
80
C
ASP
8
17.806
23.284
10.155
1.00
40.21
A

ATOM
81
O
ASP
8
18.629
22.379
10.306
1.00
42.80
A

ATOM
82
N
VAL
9
16.844
23.231
9.235
1.00
38.60
A

ATOM
83
H
VAL
9
16.234
24.001
9.146
0.00
0.00
A

ATOM
84
CA
VAL
9
16.663
22.099
8.328
1.00
35.92
A

ATOM
85
CB
VAL
9
15.511
21.215
8.823
1.00
34.35
A

ATOM
86
CG1
VAL
9
15.135
20.174
7.801
1.00
32.85
A

ATOM
87
CG2
VAL
9
15.893
20.557
10.102
1.00
35.09
A

ATOM
88
C
VAL
9
16.283
22.619
6.946
1.00
37.41
A

ATOM
89
O
VAL
9
15.680
23.680
6.829
1.00
40.43
A

ATOM
90
N
HIS
10
16.690
21.920
5.895
1.00
38.39
A

ATOM
91
H
HIS
10
17.238
21.115
6.045
0.00
0.00
A

ATOM
92
CA
HIS
10
16.340
22.302
4.522
1.00
39.79
A

ATOM
93
CB
HIS
10
17.366
23.252
3.903
1.00
41.27
A

ATOM
94
CG
HIS
10
17.242
24.662
4.387
1.00
44.65
A

ATOM
95
CD2
HIS
10
17.930
25.350
5.331
1.00
47.80
A

ATOM
96
ND1
HIS
10
16.263
25.514
3.934
1.00
45.71
A

ATOM
97
HD1
HIS
10
15.546
25.296
3.283
0.00
0.00
A

ATOM
98
CE1
HIS
10
16.348
26.665
4.583
1.00
50.22
A

ATOM
99
NE2
HIS
10
17.352
26.594
5.439
1.00
50.26
A

ATOM
100
C
HIS
10
16.191
21.029
3.699
1.00
39.71
A

ATOM
101
O
HIS
10
16.893
20.045
3.926
1.00
40.23
A

ATOM
102
N
ALA
11
15.212
21.017
2.808
1.00
39.52
A

ATOM
103
H
ALA
11
14.643
21.803
2.692
0.00
0.00
A

ATOM
104
CA
ALA
11
14.957
19.842
1.996
1.00
38.91
A

ATOM
105
CB
ALA
11
13.493
19.792
1.634
1.00
42.30
A

ATOM
106
C
ALA
11
15.806
19.823
0.738
1.00
39.34
A

ATOM
107
O
ALA
11
16.217
20.869
0.246
1.00
40.69
A

ATOM
108
N
PHE
12
16.103
18.634
0.237
1.00
39.12
A

ATOM
109
H
PHE
12
15.759
17.820
0.667
0.00
0.00
A

ATOM
110
CA
PHE
12
16.887
18.521
−0.980
1.00
38.55
A

ATOM
111
CB
PHE
12
17.466
17.118
−1.120
1.00
36.90
A

ATOM
112
CG
PHE
12
18.730
16.898
−0.346
1.00
35.38
A

ATOM
113
CD1
PHE
12
19.828
17.725
−0.533
1.00
35.26
A

ATOM
114
CD2
PHE
12
18.834
15.847
0.547
1.00
33.72
A

ATOM
115
CE1
PHE
12
21.011
17.505
0.157
1.00
33.59
A

ATOM
116
CE2
PHE
12
20.017
15.622
1.239
1.00
34.13
A

ATOM
117
CZ
PHE
12
21.106
16.455
1.040
1.00
32.93
A

ATOM
118
C
PHE
12
15.960
18.810
−2.153
1.00
41.15
A

ATOM
119
O
PHE
12
14.762
18.528
−2.095
1.00
40.65
A

ATOM
120
N
GLY
13
16.507
19.391
−3.209
1.00
44.54
A

ATOM
121
H
GLY
13
17.447
19.633
−3.235
0.00
0.00
A

ATOM
122
CA
GLY
13
15.703
19.700
−4.373
1.00
49.82
A

ATOM
123
C
GLY
13
16.545
20.250
−5.504
1.00
54.70
A

ATOM
124
O
GLY
13
17.481
21.031
−5.288
1.00
56.79
A

ATOM
125
N
GLY
14
16.224
19.827
−6.719
1.00
57.42
A

ATOM
126
H
GLY
14
15.516
19.166
−6.832
0.00
0.00
A

ATOM
127
CA
GLY
14
16.960
20.299
−7.875
1.00
62.89
A

ATOM
128
C
GLY
14
18.310
19.636
−7.970
1.00
65.94
A

ATOM
129
O
GLY
14
18.569
18.639
−7.287
1.00
66.52
A

ATOM
130
N
GLU
15
19.152
20.157
−8.851
1.00
68.38
A

ATOM
131
H
GLU
15
18.900
20.920
−9.398
0.00
0.00
A

ATOM
132
CA
GLU
15
20.489
19.611
−9.016
1.00
70.78
A

ATOM
133
CB
GLU
15
21.019
19.896
−10.432
1.00
77.17
A

ATOM
134
CG
GLU
15
20.228
19.239
−11.555
1.00
85.74
A

ATOM
135
CD
GLU
15
20.150
17.724
−11.400
1.00
92.79
A

ATOM
136
OE1
GLU
15
19.073
17.220
−10.992
1.00
95.97
A

ATOM
137
OE2
GLU
15
21.167
17.042
−11.679
1.00
96.24
A

ATOM
138
C
GLU
15
21.376
20.292
−7.982
1.00
68.23
A

ATOM
139
O
GLU
15
21.019
21.364
−7.470
1.00
68.59
A

ATOM
140
N
GLY
16
22.492
19.649
−7.642
1.00
64.65
A

ATOM
141
H
GLY
16
22.664
18.770
−8.049
0.00
0.00
A

ATOM
142
CA
GLY
16
23.426
20.229
−6.690
1.00
59.66
A

ATOM
143
C
GLY
16
24.219
21.346
−7.350
1.00
55.53
A

ATOM
144
O
GLY
16
23.856
21.785
−8.439
1.00
56.39
A

ATOM
145
N
CPR
17
25.310
21.825
−6.741
1.00
50.93
A

ATOM
146
CD
CPR
17
25.977
22.957
−7.401
1.00
48.91
A

ATOM
147
CA
CPR
17
25.979
21.507
−5.487
1.00
48.65
A

ATOM
148
CB
CPR
17
27.343
22.123
−5.701
1.00
49.62
A

ATOM
149
CG
CPR
17
26.978
23.400
−6.368
1.00
48.24
A

ATOM
150
C
CPR
17
25.259
22.227
−4.364
1.00
47.36
A

ATOM
151
O
CPR
17
24.449
23.121
−4.606
1.00
52.02
A

ATOM
152
N
ILE
18
25.551
21.845
−3.135
1.00
42.30
A

ATOM
153
H
ILE
18
26.232
21.163
−2.972
0.00
0.00
A

ATOM
154
CA
ILE
18
24.912
22.478
−2.017
1.00
37.54
A

ATOM
155
CB
ILE
18
24.435
21.444
−0.964
1.00
37.61
A

ATOM
156
CG2
ILE
18
23.499
20.441
−1.600
1.00
39.88
A

ATOM
157
CG1
ILE
18
25.597
20.671
−0.356
1.00
37.39
A

ATOM
158
CD1
ILE
18
25.131
19.646
0.680
1.00
36.52
A

ATOM
159
C
ILE
18
25.929
23.412
−1.425
1.00
36.81
A

ATOM
160
O
ILE
18
27.103
23.352
−1.778
1.00
37.64
A

ATOM
161
N
ILE
19
25.471
24.310
−0.566
1.00
35.94
A

ATOM
162
H
ILE
19
24.519
24.361
−0.340
0.00
0.00
A

ATOM
163
CA
ILE
19
26.357
25.243
0.089
1.00
33.87
A

ATOM
164
CB
ILE
19
25.968
26.649
−0.216
1.00
31.80
A

ATOM
165
CG2
ILE
19
27.044
27.563
0.242
1.00
32.88
A

ATOM
166
CG1
ILE
19
25.762
26.824
−1.706
1.00
34.76
A

ATOM
167
CD1
ILE
19
26.990
26.618
−2.503
1.00
39.21
A

ATOM
168
C
ILE
19
26.159
25.047
1.577
1.00
36.22
A

ATOM
169
O
ILE
19
25.058
25.267
2.078
1.00
39.60
A

ATOM
170
N
ILE
20
27.207
24.611
2.271
1.00
35.58
A

ATOM
171
H
ILE
20
28.062
24.475
1.807
0.00
0.00
A

ATOM
172
CA
ILE
20
27.158
24.372
3.707
1.00
33.46
A

ATOM
173
CB
ILE
20
27.210
22.868
4.018
1.00
32.42
A

ATOM
174
CG2
ILE
20
27.117
22.649
5.501
1.00
32.88
A

ATOM
175
CG1
ILE
20
26.061
22.124
3.335
1.00
33.43
A

ATOM
176
CD1
ILE
20
24.680
22.434
3.895
1.00
32.66
A

ATOM
177
C
ILE
20
28.376
25.011
4.362
1.00
35.25
A

ATOM
178
O
ILE
20
29.511
24.734
3.977
1.00
36.55
A

ATOM
179
N
GLY
21
28.150
25.848
5.366
1.00
35.43
A

ATOM
180
H
GLY
21
27.232
26.066
5.608
0.00
0.00
A

ATOM
181
CA
GLY
21
29.257
26.489
6.046
1.00
34.06
A

ATOM
182
C
GLY
21
30.033
27.334
5.069
1.00
34.09
A

ATOM
183
O
GLY
21
31.242
27.472
5.173
1.00
36.46
A

ATOM
184
N
GLY
22
29.342
27.848
4.071
1.00
34.29
A

ATOM
185
H
GLY
22
28.395
27.654
3.993
0.00
0.00
A

ATOM
186
CA
GLY
22
29.991
28.674
3.076
1.00
36.51
A

ATOM
187
C
GLY
22
30.633
27.912
1.930
1.00
37.87
A

ATOM
188
O
GLY
22
30.842
28.481
0.853
1.00
39.41
A

ATOM
189
N
VAL
23
30.922
26.628
2.128
1.00
36.95
A

ATOM
190
H
VAL
23
30.691
26.199
2.978
0.00
0.00
A

ATOM
191
CA
VAL
23
31.564
25.835
1.086
1.00
36.33
A

ATOM
192
CB
VAL
23
32.372
24.697
1.684
1.00
32.44
A

ATOM
193
CG1
VAL
23
33.159
23.995
0.612
1.00
34.46
A

ATOM
194
CG2
VAL
23
33.297
25.224
2.729
1.00
33.35
A

ATOM
195
C
VAL
23
30.594
25.247
0.076
1.00
38.63
A

ATOM
196
O
VAL
23
29.489
24.836
0.425
1.00
41.44
A

ATOM
197
N
ARG
24
31.012
25.220
−1.184
1.00
39.19
A

ATOM
198
H
ARG
24
31.882
25.577
−1.374
0.00
0.00
A

ATOM
199
CA
ARG
24
30.196
24.669
−2.252
1.00
38.82
A

ATOM
200
CB
ARG
24
30.529
25.351
−3.570
1.00
42.10
A

ATOM
201
CG
ARG
24
29.719
24.837
−4.741
1.00
52.55
A

ATOM
202
CD
ARG
24
30.257
25.344
−6.088
1.00
62.02
A

ATOM
203
NE
ARG
24
29.237
26.014
−6.902
1.00
68.86
A

ATOM
204
HE
ARG
24
28.880
26.835
−6.489
0.00
0.00
A

ATOM
205
CZ
ARG
24
28.812
25.588
−8.093.
1.00
73.18
A

ATOM
206
NH1
ARG
24
27.885
26.291
−8.738
1.00
74.51
A

ATOM
207
HH11
ARG
24
27.519
27.133
−8.327
0.00
0.00
A

ATOM
208
HH12
ARG
24
27.516
26.040
−9.635
0.00
0.00
A

ATOM
209
NH2
ARG
24
29.292
24.457
−8.632
1.00
74.42
A

ATOM
210
HH21
ARG
24
29.979
23.922
−8.133
0.00
0.00
A

ATOM
211
HH22
ARG
24
28.976
24.113
−9.517
0.00
0.00
A

ATOM
212
C
ARG
24
30.546
23.207
−2.336
1.00
36.82
A

ATOM
213
O
ARG
24
31.575
22.850
−2.897
1.00
40.97
A

ATOM
214
N
ILE
25
29.749
22.368
−1.703
1.00
34.88
A

ATOM
215
H
ILE
25
28.946
22.718
−1.258
0.00
0.00
A

ATOM
216
CA
ILE
25
30.006
20.939
−1.714
1.00
33.15
A

ATOM
217
CB
ILE
25
29.556
20.287
−0.422
1.00
30.96
A

ATOM
218
CG2
ILE
25
29.756
18.814
−0.507
1.00
29.02
A

ATOM
219
CG1
ILE
25
30.344
20.858
0.750
1.00
28.00
A

ATOM
220
CD1
ILE
25
29.696
20.586
2.069
1.00
27.44
A

ATOM
221
C
ILE
25
29.210
20.340
−2.836
1.00
33.91
A

ATOM
222
O
ILE
25
28.053
20.680
−3.023
1.00
37.29
A

ATOM
223
N
PRO
26
29.823
19.465
−3.626
1.00
34.94
A

ATOM
224
CD
PRO
26
31.264
19.182
−3.716
1.00
36.65
A

ATOM
225
CA
PRO
26
29.111
18.844
−4.739
1.00
36.25
A

ATOM
226
CB
PRO
26
30.250
18.337
−5.613
1.00
33.58
A

ATOM
227
CG
PRO
26
31.301
18.007
−4.652
1.00
31.45
A

ATOM
228
C
PRO
26
28.212
17.719
−4.290
1.00
37.95
A

ATOM
229
O
PRO
26
28.618
16.889
−3.480
1.00
40.88
A

ATOM
230
N
TYR
27
27.001
17.679
−4.833
1.00
39.83
A

ATOM
231
H
TYR
27
26.717
18.343
−5.496
0.00
0.00
A

ATOM
232
CA
TYR
27
26.035
16.641
−4.493
1.00
42.26
A

ATOM
233
CB
TYR
27
25.263
17.039
−3.248
1.00
41.75
A

ATOM
234
CG
TYR
27
24.462
15.927
−2.645
1.00
39.96
A

ATOM
235
CD1
TYR
27
25.051
14.714
−2.344
1.00
37.64
A

ATOM
236
CE1
TYR
27
24.322
13.691
−1.785
1.00
39.67
A

ATOM
237
CD2
TYR
27
23.115
16.095
−2.370
1.00
40.37
A

ATOM
238
CE2
TYR
27
22.378
15.083
−1.812
1.00
42.16
A

ATOM
239
CZ
TYR
27
22.988
13.879
−1.524
1.00
41.60
A

ATOM
240
OH
TYR
27
22.244
12.857
−0.991
1.00
45.39
A

ATOM
241
HH
TYR
27
22.808
12.066
−1.009
0.00
0.00
A

ATOM
242
C
TYR
27
25.067
16.486
−5.651
1.00
45.94
A

ATOM
243
O
TYR
27
24.864
17.429
−6.424
1.00
46.76
A

ATOM
244
N
GLU
28
24.465
15.306
−5.770
1.00
50.51
A

ATOM
245
H
GLU
28
24.665
14.612
−5.113
0.00
0.00
A

ATOM
246
CA
GLU
28
23.522
15.047
−6.866
1.00
53.21
A

ATOM
247
CB
GLU
28
22.887
13.656
−6.758
1.00
57.75
A

ATOM
248
CG
GLU
28
23.583
12.663
−5.835
1.00
66.55
A

ATOM
249
CD
GLU
28
22.585
11.706
−5.178
1.00
72.26
A

ATOM
250
OE1
GLU
28
23.008
10.640
−4.666
1.00
75.44
A

ATOM
251
OE2
GLU
28
21.373
12.038
−5.148
1.00
75.71
A

ATOM
252
C
GLU
28
22.407
16.073
−6.825
1.00
50.46
A

ATOM
253
O
GLU
28
22.126
16.747
−7.809
1.00
51.63
A

ATOM
254
N
LYS
29
21.801
16.197
−5.655
1.00
47.76
A

ATOM
255
H
LYS
29
22.144
15.674
−4.909
0.00
0.00
A

ATOM
256
CA
LYS
29
20.703
17.116
−5.462
1.00
46.31
A

ATOM
257
CB
LYS
29
19.536
16.410
−4.747
1.00
47.77
A

ATOM
258
CG
LYS
29
19.864
15.039
−4.109
1.00
48.88
A

ATOM
259
CD
LYS
29
18.579
14.337
−3.620
1.00
52.52
A

ATOM
260
CE
LYS
29
18.839
13.011
−2.878
1.00
53.39
A

ATOM
261
NZ
LYS
29
19.415
13.147
−1.505
1.00
50.81
A

ATOM
262
HZ1
LYS
29
18.772
13.645
−0.851
0.00
0.00
A

ATOM
263
HZ2
LYS
29
20.366
13.578
−1.528
0.00
0.00
A

ATOM
264
HZ3
LYS
29
19.562
12.185
−1.140
0.00
0.00
A

ATOM
265
C
LYS
29
21.143
18.349
−4.699
1.00
43.93
A

ATOM
266
O
LYS
29
22.210
18.359
−4.098
1.00
42.33
A

ATOM
267
N
GLY
30
20.327
19.393
−4.759
1.00
42.98
A

ATOM
268
H
GLY
30
19.509
19.334
−5.296
0.00
0.00
A

ATOM
269
CA
GLY
30
20.630
20.628
−4.062
1.00
43.79
A

ATOM
270
C
GLY
30
19.702
20.789
−2.881
1.00
44.51
A

ATOM
271
O
GLY
30
19.073
19.810
−2.474
1.00
46.21
A

ATOM
272
N
LEU
31
19.605
22.002
−2.333
1.00
44.38
A

ATOM
273
H
LEU
31
20.092
22.753
−2.732
0.00
0.00
A

ATOM
274
CA
LEU
31
18.743
22.282
−1.176
1.00
43.59
A

ATOM
275
CB
LEU
31
19.566
22.711
0.036
1.00
38.26
A

ATOM
276
CG
LEU
31
20.341
21.585
0.698
1.00
35.90
A

ATOM
277
CD1
LEU
31
21.235
22.100
1.789
1.00
34.43
A

ATOM
278
CD2
LEU
31
19.349
20.612
1.253−
1.00
37.81
A

ATOM
279
C
LEU
31
17.743
23.365
−1.482
1.00
45.25
A

ATOM
280
O
LEU
31
18.082
24.392
−2.052
1.00
48.42
A

ATOM
281
N
LEU
32
16.510
23.153
−1.068
1.00
47.61
A

ATOM
282
H
LEU
32
16.293
22.359
−0.592
0.00
0.00
A

ATOM
283
CA
LEU
32
15.456
24.117
−1.304
1.00
50.84
A

ATOM
284
CB
LEU
32
14.128
23.386
−1.328
1.00
49.60
A

ATOM
285
CG
LEU
32
14.136
22.294
−2.388
1.00
50.43
A

ATOM
286
CD1
LEU
32
12.837
21.512
−2.361
1.00
52.26
A

ATOM
287
CD2
LEU
32
14.359
22.931
−3.739
1.00
51.10
A

ATOM
288
C
LEU
32
15.428
25.216
−0.250
1.00
54.08
A

ATOM
289
O
LEU
32
15.375
24.928
0.951
1.00
55.60
A

ATOM
290
N
ALA
33
15.471
26.470
−0.694
1.00
57.54
A

ATOM
291
H
ALA
33
15.561
26.670
−1.653
0.00
0.00
A

ATOM
292
CA
ALA
33
15.432
27.606
0.222
1.00
62.26
A

ATOM
293
CB
ALA
33
16.668
27.599
1.108
1.00
62.60
A

ATOM
294
C
ALA
33
15.300
28.961
−0.487
1.00
65.52
A

ATOM
295
O
ALA
33
15.602
29.076
−1.682
1.00
68.20
A

ATOM
296
N
HIS
34
14.814
29.965
0.257
1.00
66.95
A

ATOM
297
H
HIS
34
14.563
29.753
1.177
0.00
0.00
A

ATOM
298
CA
HIS
34
14.645
31.342
−0.244
1.00
65.92
A

ATOM
299
CB
HIS
34
13.856
32.188
0.795
1.00
70.44
A

ATOM
300
CG
HIS
34
13.669
33.650
0.451
1.00
72.87
A

ATOM
301
CD2
HIS
34
14.024
34.772
1.132
1.00
72.23
A

ATOM
302
ND1
HIS
34
12.941
34.087
−0.639
1.00
73.72
A

ATOM
303
HD1
HIS
34
12.511
33.531
−1.321
0.00
0.00
A

ATOM
304
CE1
HIS
34
12.853
35.407
−0.611
1.00
72.77
A

ATOM
305
NE2
HIS
34
13.500
35.846
0.454
1.00
71.90
A

ATOM
306
HE2
HIS
34
13.491
36.783
0.774
0.00
0.00
A

ATOM
307
C
HIS
34
16.062
31.873
−0.467
1.00
63.52
A

ATOM
308
O
HIS
34
16.338
32.440
−1.511
1.00
62.92
A

ATOM
309
N
SER
35
16.955
31.638
0.498
1.00
60.67
A

ATOM
310
H
SER
35
16.713
31.125
1.287
0.00
0.00
A

ATOM
311
CA
SER
35
18.352
32.072
0.406
1.00
56.53
A

ATOM
312
CB
SER
35
18.935
32.282
1.804
1.00
56.46
A

ATOM
313
OG
SER
35
19.088
31.045
2.493
1.00
57.59
A

ATOM
314
HG
SER
35
19.923
31.267
2.930
0.00
0.00
A

ATOM
315
C
SER
35
19.120
30.956
−0.279
1.00
54.14
A

ATOM
316
O
SER
35
18.544
30.188
−1.041
1.00
55.99
A

ATOM
317
N
ASP
36
20.406
30.845
0.029
1.00
51.05
A

ATOM
318
H
ASP
36
20.864
31.484
0.618
0.00
0.00
A

ATOM
319
CA
ASP
36
21.263
29.804
−0.530
1.00
48.52
A

ATOM
320
CB
ASP
36
22.713
30.228
−0.402
1.00
46.63
A

ATOM
321
CG
ASP
36
23.091
30.492
1.019
1.00
50.20
A

ATOM
322
OD1
ASP
36
24.275
30.785
1.269
1.00
53.80
A

ATOM
323
OD2
ASP
36
22.197
30.414
1.902
1.00
51.88
A

ATOM
324
C
ASP
36
21.050
28.494
0.240
1.00
47.60
A

ATOM
325
O
ASP
36
21.738
27.489
0.002
1.00
49.62
A

ATOM
326
N
GLY
37
20.175
28.547
1.239
1.00
44.42
A

ATOM
327
H
GLY
37
19.791
29.416
1.448
0.00
0.00
A

ATOM
328
CA
GLY
37
19.866
27.360
2.011
1.00
41.48
A

ATOM
329
C
GLY
37
21.004
26.747
2.794
1.00
39.86
A

ATOM
330
O
GLY
37
20.941
25.570
3.142
1.00
40.20
A

ATOM
331
N
ASP
38
22.011
27.547
3.124
1.00
37.93
A

ATOM
332
h
ASP
38
22.051
28.468
2.782
0.00
0.00
A

ATOM
333
CA
ASP
38
23.153
27.068
3.895
1.00
35.95
A

ATOM
334
CB
ASP
38
24.241
28.137
3.886
1.00
36.07
A

ATOM
335
CG
ASP
38
25.540
27.660
4.480
1.00
38.27
A

ATOM
336
OD1
ASP
38
25.525
26.898
5.471
1.00
41.36
A

ATOM
337
OD2
ASP
38
26.596
28.072
3.971
1.00
41.36
A

ATOM
338
C
ASP
38
22.707
26.783
5.331
1.00
36.10
A

ATOM
339
O
ASP
38
22.663
27.683
6.172
1.00
39.94
A

ATOM
340
N
VAL
39
22.362
25.537
5.618
1.00
34.11
A

ATOM
341
H
VAL
39
22.447
24.907
4.872
0.00
0.00
A

ATOM
342
CA
VAL
39
21.901
25.168
6.949
1.00
31.93
A

ATOM
343
CB
VAL
39
21.584
23.699
7.038
1.00
32.45
A

ATOM
344
CG1
VAL
39
20.625
23.465
8.155
1.00
36.75
A

ATOM
345
CG2
VAL
39
20.996
23.221
5.760
1.00
34.88
A

ATOM
346
C
VAL
39
22.897
25.470
8.054
1.00
32.27
A

ATOM
347
O
VAL
39
22.545
26.093
9.046
1.00
33.95
A

ATOM
348
N
ALA
40
24.134
25.022
7.896
1.00
32.01
A

ATOM
349
H
ALA
40
24.366
24.573
7.060
0.00
0.00
A

ATOM
350
CA
ALA
40
25.160
25.249
8.911
1.00
32.22
A

ATOM
351
CB
ALA
40
26.516
24.828
8.396
1.00
30.22
A

ATOM
352
C
ALA
40
25.206
26.706
9.341
1.00
33.45
A

ATOM
353
O
ALA
40
25.242
27.013
10.528
1.00
35.09
A

ATOM
354
N
LEU
41
25.178
27.618
8.385
1.00
32.90
A

ATOM
355
H
LEU
41
25.103
27.365
7.436
0.00
0.00
A

ATOM
356
CA
LEU
41
25.241
29.011
8.759
1.00
32.68
A

ATOM
357
CB
LEU
41
25.742
29.865
7.607
1.00
29.34
A

ATOM
358
CG
LEU
41
27.150
29.462
7.176
1.00
26.35
A

ATOM
359
CD1
LEU
41
27.621
30.358
6.071
1.00
27.54
A

ATOM
360
CD2
LEU
41
28.099
29.532
8.342
1.00
24.79
A

ATOM
361
C
LEU
41
23.950
29.554
9.373
1.00
35.94
A

ATOM
362
O
LEU
41
24.012
30.302
10.357
1.00
39.40
A

ATOM
363
N
HIS
42
22.782
29.174
8.857
1.00
34.81
A

ATOM
364
H
HIS
42
22.799
28.554
8.096
0.00
0.00
A

ATOM
365
CA
HIS
42
21.550
29.671
9.480
1.00
33.31
A

ATOM
366
CB
HIS
42
20.284
29.129
8.831
1.00
35.61
A

ATOM
367
CG
HIS
42
20.132
29.506
7.396
1.00
38.04
A

ATOM
368
CD2
HIS
42
20.861
30.336
6.615
1.00
38.58
A

ATOM
369
ND1
HIS
42
19.158
28.956
6.585
1.00
44.82
A

ATOM
370
CE1
HIS
42
19.305
29.435
5.359
1.00
43.57
A

ATOM
371
NE2
HIS
42
20.331
30.272
5.353
1.00
40.29
A

ATOM
372
HE2
HIS
42
20.730
30.766
4.594
0.00
0.00
A

ATOM
373
C
HIS
42
21.555
29.236
10.933
1.00
31.52
A

ATOM
374
O
HIS
42
21.335
30.053
11.810
1.00
35.27
A

ATOM
375
N
ALA
43
21.883
27.980
11.204
1.00
28.00
A

ATOM
376
H
ALA
43
22.132
27.353
10.491
0.00
0.00
A

ATOM
377
CA
ALA
43
21.891
27.544
12.583
1.00
27.47
A

ATOM
378
CB
ALA
43
22.201
26.091
12.686
1.00
28.00
A

ATOM
379
C
ALA
43
22.882
28.371
13.379
1.00
28.72
A

ATOM
380
O
ALA
43
22.516
28.960
14.393
1.00
31.49
A

ATOM
381
N
LEU
44
24.109
28.496
12.888
1.00
28.85
A

ATOM
382
H
LEU
44
24.343
28.054
12.043
0.00
0.00
A

ATOM
383
CA
LEU
44
25.119
29.284
13.598
1.00
29.22
A

ATOM
384
CB
LEU
44
26.417
29.348
12.792
1.00
24.66
A

ATOM
385
CG
LEU
44
27.524
30.291
13.256
1.00
24.31
A

ATOM
386
CD1
LEU
44
27.847
30.080
14.722
1.00
20.82
A

ATOM
387
CD2
LEU
44
28.763
30.048
12.401
1.00
22.43
A

ATOM
388
C
LEU
44
24.582
30.690
13.892
1.00
32.07
A

ATOM
389
O
LEU
44
24.646
31.159
15.028
1.00
33.57
A

ATOM
390
N
THR
45
23.963
31.313
12.894
1.00
33.90
A

ATOM
391
H
THR
45
23.848
30.870
12.040
0.00
0.00
A

ATOM
392
CA
THR
45
23.398
32.651
13.043
1.00
35.81
A

ATOM
393
CB
THR
45
22.654
33.064
11.777
1.00
36.87
A

ATOM
394
OG1
THR
45
23.570
33.094
10.674
1.00
40.16
A

ATOM
395
HG1
THR
45
24.287
33.702
10.866
0.00
0.00
A

ATOM
396
CG2
THR
45
21.994
34.425
11.963
1.00
35.68
A

ATOM
397
C
THR
45
22.415
32.740
14.207
1.00
36.37
A

ATOM
398
O
THR
45
22.526
33.617
15.063
1.00
36.91
A

ATOM
399
N
ASP
46
21.436
31.848
14.222
1.00
36.02
A

ATOM
400
H
ASP
46
21.343
31.180
13.507
0.00
0.00
A

ATOM
401
CA
ASP
46
20.455
31.849
15.281
1.00
36.79
A

ATOM
402
CB
ASP
46
19.453
30.728
15.089
1.00
40.98
A

ATOM
403
CG
ASP
46
18.343
31.104
14.166
1.00
43.33
A

ATOM
404
OD1
ASP
46
17.470
30.250
13.884
1.00
46.09
A

ATOM
405
OD2
ASP
46
18.344
32.264
13.728
1.00
45.96
A

ATOM
406
C
ASP
46
21.110
31.664
16.617
1.00
37.01
A

ATOM
407
O
ASP
46
20.691
32.264
17.595
1.00
37.77
A

ATOM
408
N
ALA
47
22.125
30.816
16.679
1.00
34.89
A

ATOM
409
H
ALA
47
22.423
30.361
15.861
0.00
0.00
A

ATOM
410
CA
ALA
47
22.770
30.591
17.952
1.00
35.88
A

ATOM
411
CB
ALA
47
23.770
29.496
17.848
1.00
36.66
A

ATOM
412
C
ALA
47
23.422
31.874
18.438
1.00
37.80
A

ATOM
413
O
ALA
47
23.351
32.196
19.629
1.00
39.23
A

ATOM
414
N
LEU
48
24.030
32.617
17.516
1.00
37.62
A

ATOM
415
H
LEU
48
24.041
32.300
16.587
0.00
0.00
A

ATOM
416
CA
LEU
48
24.685
33.877
17.860
1.00
36.25
A

ATOM
417
CB
LEU
48
25.539
34.392
16.697
1.00
34.41
A

ATOM
418
CG
LEU
48
26.829
33.621
16.410
1.00
34.31
A

ATOM
419
CD1
LEU
48
27.320
33.977
15.041
1.00
33.65
A

ATOM
420
CD2
LEU
48
27.895
33.918
17.461
1.00
32.82
A

ATOM
421
C
LEU
48
23.628
34.904
18.243
1.00
36.61
A

ATOM
422
O
LEU
48
23.716
35.517
19.306
1.00
38.96
A

ATOM
423
N
LEU
49
22.604
35.064
17.410
1.00
36.00
A

ATOM
424
H
LEU
49
22.554
34.537
16.600
0.00
0.00
A

ATOM
425
CA
LEU
49
21.541
36.015
17.715
1.00
36.10
A

ATOM
426
CB
LEU
49
20.482
36.033
16.612
1.00
34.42
A

ATOM
427
CG
LEU
49
20.910
36.652
15.278
1.00
34.04
A

ATOM
428
CD1
LEU
49
19.756
36.622
14.294
1.00
30.54
A

ATOM
429
CD2
LEU
49
21.376
38.085
15.507
1.00
33.20
A

ATOM
430
C
LEU
49
20.907
35.627
19.046
1.00
36.97
A

ATOM
431
O
LEU
49
20.638
36.483
19.884
1.00
38.41
A

ATOM
432
N
GLY
50
20.765
34.322
19.262
1.00
38.44
A

ATOM
433
H
GLY
50
21.084
33.718
18.574
0.00
0.00
A

ATOM
434
CA
GLY
50
20.178
33.801
20.485
1.00
39.96
A

ATOM
435
C
GLY
50
20.901
34.293
21.723
1.00
41.71
A

ATOM
436
O
GLY
50
20.285
34.866
22.620
1.00
44.55
A

ATOM
437
N
ALA
51
22.212
34.108
21.771
1.00
40.30
A

ATOM
438
H
ALA
51
22.665
33.642
21.034
0.00
0.00
A

ATOM
439
CA
ALA
51
22.968
34.564
22.917
1.00
38.58
A

ATOM
440
CB
ALA
51
24.378
34.087
22.820
1.00
38.99
A

ATOM
441
C
ALA
51
22.915
36.092
23.004
1.00
39.29
A

ATOM
442
O
ALA
51
22.931
36.663
24.086
1.00
41.21
A

ATOM
443
N
ALA
52
22.812
36.764
21.872
1.00
37.97
A

ATOM
444
H
ALA
52
22.797
36.280
21.017
0.00
0.00
A

ATOM
445
CA
ALA
52
22.748
38.216
21.893
1.00
37.95
A

ATOM
446
CB
ALA
52
23.104
38.768
20.528
1.00
37.36
A

ATOM
447
C
ALA
52
21.362
38.699
22.298
1.00
38.39
A

ATOM
448
O
ALA
52
21.134
39.894
22.454
1.00
41.07
A

ATOM
449
N
ALA
53
20.437
37.766
22.466
1.00
39.12
A

ATOM
450
H
ALA
53
20.663
36.825
22.318
0.00
0.00
A

ATOM
451
CA
ALA
53
19.050
38.086
22.819
1.00
38.48
A

ATOM
452
CB
ALA
53
18.978
38.793
24.160
1.00
36.77
A

ATOM
453
C
ALA
53
18.436
38.951
21.730
1.00
37.70
A

ATOM
454
O
ALA
53
17.695
39.880
22.010
1.00
38.63
A

ATOM
455
N
LEU
54
18.779
38.665
20.483
1.00
37.76
A

ATOM
456
H
LEU
54
19.400
37.926
20.313
0.00
0.00
A

ATOM
457
CA
LEU
54
18.248
39.427
19.368
1.00
37.75
A

ATOM
458
CB
LEU
54
19.379
39.883
18.457
1.00
37.17
A

ATOM
459
CG
LEU
54
20.489
40.711
19.107
1.00
35.30
A

ATOM
460
CD1
LEU
54
21.572
41.027
18.082
1.00
34.79
A

ATOM
461
CD2
LEU
54
19.911
41.977
19.657
1.00
34.70
A

ATOM
462
C
LEU
54
17.190
38.670
18.568
1.00
39.86
A

ATOM
463
O
LEU
54
16.767
39.116
17.501
1.00
40.36
A

ATOM
464
N
GLY
55
16.740
37.535
19.085
1.00
43.40
A

ATOM
465
H
GLY
55
17.081
37.184
19.935
0.00
0.00
A

ATOM
466
CA
GLY
55
15.709
36.779
18.393
1.00
44.90
A

ATOM
467
C
GLY
55
16.230
35.678
17.507
1.00
45.70
A

ATOM
468
O
GLY
55
16.906
34.765
17.990
1.00
44.56
A

ATOM
469
N
ASP
56
15.878
35.742
16.226
1.00
47.03
A

ATOM
470
H
ASP
56
15.300
36.446
15.877
0.00
0.00
A

ATOM
471
CA
ASP
56
16.322
34.748
15.266
1.00
48.13
A

ATOM
472
CB
ASP
56
15.365
33.552
15.210
1.00
49.26
A

ATOM
473
CG
ASP
56
13.986
33.910
14.686
1.00
50.20
A

ATOM
474
OD1
ASP
56
13.913
34.557
13.630
1.00
51.48
A

ATOM
475
OD2
ASP
56
12.970
33.521
15.309
1.00
49.92
A

ATOM
476
C
ASP
56
16.516
35.375
13.895
1.00
49.86
A

ATOM
477
O
ASP
56
16.100
36.512
13.658
1.00
51.59
A

ATOM
478
N
ILE
57
17.114
34.607
12.991
1.00
50.78
A

ATOM
479
H
ILE
57
17.281
33.690
13.269
0.00
0.00
A

ATOM
480
CA
ILE
57
17.441
35.034
11.631
1.00
49.19
A

ATOM
481
CB
ILE
57
18.201
33.894
10.873
1.00
46.25
A

ATOM
482
CG2
ILE
57
17.251
32.823
10.378
1.00
45.61
A

ATOM
483
CG1
ILE
57
18.964
34.438
9.682
1.00
44.58
A

ATOM
484
CD1
ILE
57
19.576
33.336
8.843
1.00
44.73
A

ATOM
485
C
ILE
57
16.208
35.482
10.861
1.00
50.71
A

ATOM
486
O
ILE
57
16.239
36.503
10.185
1.00
50.25
A

ATOM
487
N
GLY
58
15.109
34.760
11.035
1.00
53.97
A

ATOM
488
H
GLY
58
15.100
34.032
11.700
0.00
0.00
A

ATOM
489
CA
GLY
58
13.870
35.083
10.347
1.00
60.15
A

ATOM
490
C
GLY
58
13.299
36.421
10.773
1.00
64.20
A

ATOM
491
O
GLY
58
12.554
37.055
10.030
1.00
66.06
A

ATOM
492
N
LYS
59
13.625
36.840
11.987
1.00
68.59
A

ATOM
493
H
LYS
59
14.152
36.256
12.576
0.00
0.00
A

ATOM
494
CA
LYS
59
13.161
38.121
12.494
1.00
71.48
A

ATOM
495
CB
LYS
59
13.405
38.231
14.003
1.00
75.71
A

ATOM
496
CG
LYS
59
13.169
39.619
14.583
1.00
78.84
A

ATOM
497
CD
LYS
59
13.789
39.731
15.960
1.00
82.01
A

ATOM
498
CE
LYS
59
14.163
41.172
16.284
1.00
86.19
A

ATOM
499
NZ
LYS
59
14.989
41.252
17.527
1.00
88.87
A

ATOM
500
HZ1
LYS
59
15.259
42.227
17.752
0.00
0.00
A

ATOM
501
HZ2
LYS
59
15.841
40.658
17.388
0.00
0.00
A

ATOM
502
HZ3
LYS
59
14.444
40.853
18.315
0.00
0.00
A

ATOM
503
C
LYS
59
13.937
39.207
11.783
1.00
71.18
A

ATOM
504
O
LYS
59
13.392
40.248
11.485
1.00
75.30
A

ATOM
505
N
LEU
60
15.211
38.968
11.508
1.00
70.11
A

ATOM
506
H
LEU
60
15.592
38.097
11.747
0.00
0.00
A

ATOM
507
CA
LEU
60
16.025
39.969
10.838
1.00
69.29
A

ATOM
508
CB
LEU
60
17.474
39.868
11.285
1.00
69.13
A

ATOM
509
CG
LEU
60
17.812
40.443
12.651
1.00
70.27
A

ATOM
510
CD1
LEU
60
16.971
39.785
13.740
1.00
68.89
A

ATOM
511
CD2
LEU
60
19.305
40.236
12.887
1.00
70.90
A

ATOM
512
C
LEU
60
15.994
39.940
9.321
1.00
68.94
A

ATOM
513
O
LEU
60
16.222
40.968
8.684
1.00
70.10
A

ATOM
514
N
PHE
61
15.763
38.773
8.734
1.00
67.68
A

ATOM
515
H
PHE
61
15.579
37.977
9.266
0.00
0.00
A

ATOM
516
CA
PHE
61
15.760
38.673
7.283
1.00
67.82
A

ATOM
517
CB
PHE
61
17.123
38.179
6.781
1.00
64.15
A

ATOM
518
CG
PHE
61
18.294
38.658
7.594
1.00
60.91
A

ATOM
519
CD1
PHE
61
18.717
39.971
7.528
1.00
61.00
A

ATOM
520
CD2
PHE
61
18.981
37.784
8.423
1.00
61.72
A

ATOM
521
CE1
PHE
61
19.807
40.405
8.277
1.00
61.81
A

ATOM
522
CE2
PHE
61
20.072
38.209
9.174
1.00
61.27
A

ATOM
523
CZ
PHE
61
20.485
39.520
9.101
1.00
60.89
A

ATOM
524
C
PHE
61
14.652
37.740
6.788
1.00
70.59
A

ATOM
525
O
PHE
61
14.893
36.563
6.508
1.00
72.17
A

ATOM
526
N
PRO
62
13.427
38.269
6.652
1.00
72.75
A

ATOM
527
CD
PRO
62
13.143
39.626
7.145
1.00
72.15
A

ATOM
528
CA
PRO
62
12.184
37.622
6.204
1.00
76.18
A

ATOM
529
CB
PRO
62
11.177
38.759
6.299
1.00
74.11
A

ATOM
530
CG
PRO
62
11.685
39.546
7.453
1.00
72.81
A

ATOM
531
C
PRO
62
12.142
36.978
4.805
1.00
81.02
A

ATOM
532
O
PRO
62
12.579
37.584
3.817
1.00
81.21
A

ATOM
533
N
ASP
63
11.538
35.783
4.725
1.00
85.91
A

ATOM
534
H
ASP
63
11.187
35.387
5.554
0.00
0.00
A

ATOM
535
CA
ASP
63
11.393
35.037
3.462
1.00
90.15
A

ATOM
536
CB
ASP
63
10.525
33.772
3.601
1.00
93.14
A

ATOM
537
CG
ASP
63
10.414
33.261
5.023
1.00
97.50
A

ATOM
538
OD1
ASP
63
9.815
33.964
5.878
1.00
99.52
A

ATOM
539
OD2
ASP
63
10.886
32.127
5.269
1.00
98.81
A

ATOM
540
C
ASP
63
10.632
35.941
2.526
1.00
92.29
A

ATOM
541
O
ASP
63
10.873
35.963
1.316
1.00
93.16
A

ATOM
542
N
THR
64
9.646
36.613
3.112
1.00
94.07
A

ATOM
543
H
THR
64
9.515
36.436
4.065
0.00
0.00
A

ATOM
544
CA
THR
64
8.773
37.548
2.421
1.00
96.04
A

ATOM
545
CB
THR
64
7.878
38.322
3.438
1.00
98.56
A

ATOM
546
OG1
THR
64
8.673
39.249
4.199
1.00
99.26
A

ATOM
547
HG1
THR
64
8.946
39.998
3.650
0.00
0.00
A

ATOM
548
CG2
THR
64
7.203
37.345
4.407
1.00
99.55
A

ATOM
549
C
THR
64
9.584
38.548
1.598
1.00
95.08
A

ATOM
550
O
THR
64
9.379
38.677
0.388
1.00
95.88
A

ATOM
551
N
ASP
65
10.511
39.235
2.262
1.00
93.42
A

ATOM
552
H
ASP
65
10.686
39.039
3.204
0.00
0.00
A

ATOM
553
CA
ASP
65
11.348
40.219
1.601
1.00
91.63
A

ATOM
554
CB
ASP
65
12.285
40.885
2.600
1.00
90.76
A

ATOM
555
CG
ASP
65
12.952
42.125
2.037
1.00
91.21
A

ATOM
556
OD1
ASP
65
13.374
42.113
0.855
1.00
89.99
A

ATOM
557
OD2
ASP
65
13.056
43.119
2.787
1.00
92.29
A

ATOM
558
C
ASP
65
12.134
39.490
0.523
1.00
91.85
A

ATOM
559
O
ASP
65
12.987
38.635
0.818
1.00
90.55
A

ATOM
560
N
PRO
66
11.829
39.802
−0.751
1.00
93.13
A

ATOM
561
CD
PRO
66
10.880
40.866
−1.130
1.00
93.67
A

ATOM
562
CA
PRO
66
12.449
39.224
−1.947
1.00
93.36
A

ATOM
563
CB
PRO
66
11.662
39.877
−3.083
1.00
92.95
A

ATOM
564
CG
PRO
66
11.328
41.219
−2.525
1.00
93.21
A

ATOM
565
C
PRO
66
13.954
39.468
−2.070
1.00
93.29
A

ATOM
566
O
PRO
66
14.652
38.697
−2.739
1.00
94.08
A

ATOM
567
N
ALA
67
14.456
40.509
−1.407
1.00
91.76
A

ATOM
568
H
ALA
67
13.871
41.083
−0.855
0.00
0.00
A

ATOM
569
CA
ALA
67
15.884
40.829
−1.445
1.00
90.66
A

ATOM
570
CB
ALA
67
16.146
42.115
−0.658
1.00
91.65
A

ATOM
571
C
ALA
67
16.731
39.670
−0.881
1.00
89.23
A

ATOM
572
O
ALA
67
17.850
39.383
−1.344
1.00
88.91
A

ATOM
573
N
PHE
68
16.171
38.992
0.113
1.00
85.59
A

ATOM
574
H
PHE
68
15.284
39.270
0.435
0.00
0.00
A

ATOM
575
CA
PHE
68
16.851
37.885
0.741
1.00
81.39
A

ATOM
576
CB
PHE
68
16.227
37.626
2.096
1.00
80.08
A

ATOM
577
CG
PHE
68
16.188
38.841
2.959
1.00
78.93
A

ATOM
578
CD1
PHE
68
15.023
39.211
3.615
1.00
79.33
A

ATOM
579
CD2
PHE
68
17.322
39.630
3.108
1.00
77.40
A

ATOM
580
CE1
PHE
68
14.989
40.354
4.412
1.00
79.33
A

ATOM
581
CE2
PHE
68
17.299
40.774
3.902
1.00
77.47
A

ATOM
582
CZ
PHE
68
16.131
41.137
4.556
1.00
78.26
A

ATOM
583
C
PHE
68
16.814
36.650
−0.127
1.00
80.29
A

ATOM
584
O
PHE
68
17.455
35.652
0.190
1.00
80.77
A

ATOM
585
N
LYS
69
16.053
36.695
−1.213
1.00
78.54
A

ATOM
586
H
LYS
69
15.604
37.518
−1.484
0.00
0.00
A

ATOM
587
CA
LYS
69
16.003
35.546
−2.087
1.00
79.25
A

ATOM
588
CB
LYS
69
14.949
35.697
−3.169
1.00
82.82
A

ATOM
589
CG
LYS
69
14.763
34.402
−3.935
1.00
89.78
A

ATOM
590
CD
LYS
69
13.970
34.587
−5.212
1.00
96.12
A

ATOM
591
CE
LYS
69
14.090
33.343
−6.101
1.00
99.59
A

ATOM
592
NZ
LYS
69
13.520
33.538
−7.477
1.00
100.00
A

ATOM
593
HZ1
LYS
69
13.642
32.664
−8.026
0.00
0.00
A

ATOM
594
HZ2
LYS
69
14.013
34.319
−7.956
0.00
0.00
A

ATOM
595
HZ3
LYS
69
12.506
33.761
−7.407
0.00
0.00
A

ATOM
596
C
LYS
69
17.374
35.390
−2.726
1.00
78.25
A

ATOM
597
O
LYS
69
17.965
36.365
−3.190
1.00
79.05
A

ATOM
598
N
GLY
70
17.875
34.157
−2.714
1.00
76.13
A

ATOM
599
H
GLY
70
17.390
33.416
−2.388
0.00
0.00
A

ATOM
600
CA
GLY
70
19.178
33.838
−3.258
1.00
71.88
A

ATOM
601
C
GLY
70
20.307
34.323
−2.366
1.00
69.60
A

ATOM
602
O
GLY
70
21.464
33.940
−2.582
1.00
69.81
A

ATOM
603
N
ALA
71
19.966
35.099
−1.330
1.00
66.81
A

ATOM
604
H
ALA
71
19.027
35.282
−1.145
0.00
0.00
A

ATOM
605
CA
ALA
71
20.955
35.690
−0.417
1.00
64.11
A

ATOM
606
CB
ALA
71
20.269
36.395
0.765
1.00
63.37
A

ATOM
607
C
ALA
71
22.055
34.764
0.085
1.00
60.31
A

ATOM
608
O
ALA
71
21.811
33.613
0.463
1.00
62.09
A

ATOM
609
N
ASP
72
23.273
35.282
0.050
1.00
53.98
A

ATOM
610
H
ASP
72
23.420
36.200
−0.263
0.00
0.00
A

ATOM
611
CA
ASP
72
24.441
34.568
0.500
1.00
46.87
A

ATOM
612
CB
ASP
72
25.655
35.345
0.011
1.00
47.22
A

ATOM
613
CG
ASP
72
26.950
34.891
0.630
1.00
52.59
A

ATOM
614
OD1
ASP
72
27.010
34.702
1.860
1.00
58.27
A

ATOM
615
OD2
ASP
72
27.956
34.789
−0.103
1.00
55.56
A

ATOM
616
C
ASP
72
24.333
34.533
2.030
1.00
44.94
A

ATOM
617
O
ASP
72
24.392
35.570
2.695
1.00
45.20
A

ATOM
618
N
SER
73
24.146
33.350
2.598
1.00
40.66
A

ATOM
619
H
SER
73
24.087
32.553
2.031
0.00
0.00
A

ATOM
620
CA
SER
73
24.023
33.242
4.036
1.00
39.16
A

ATOM
621
CB
SER
73
23.785
31.806
4.453
1.00
39.97
A

ATOM
622
OG
SER
73
22.456
31.405
4.172
1.00
41.15
A

ATOM
623
HG
SER
73
22.755
30.659
3.623
0.00
0.00
A

ATOM
624
C
SER
73
25.185
33.825
4.827
1.00
39.91
A

ATOM
625
O
SER
73
24.993
34.247
5.973
1.00
40.52
A

ATOM
626
N
ARG
74
26.385
33.829
4.249
1.00
39.07
A

ATOM
627
H
ARG
74
26.485
33.477
3.336
0.00
0.00
A

ATOM
628
CA
ARG
74
27.538
34.390
4.942
1.00
40.25
A

ATOM
629
CB
ARG
74
28.832
34.223
4.174
1.00
38.40
A

ATOM
630
CG
ARG
74
29.386
32.837
4.197
1.00
40.45
A

ATOM
631
CD
ARG
74
30.674
32.802
3.409
1.00
44.70
A

ATOM
632
NE
ARG
74
31.732
33.525
4.102
1.00
46.61
A

ATOM
633
HE
ARG
74
31.510
33.881
4.991
0.00
0.00
A

ATOM
634
CZ
ARG
74
32.953
33.719
3.624
1.00
45.83
A

ATOM
635
NH1
ARG
74
33.642
34.376
4.350
1.00
51.29
A

ATOM
636
HH11
ARG
74
33.565
34.713
5.267
0.00
0.00
A

ATOM
637
HH12
ARG
74
34.810
34.583
4.118
0.00
0.00
A

ATOM
638
NH2
ARG
74
33.280
33.277
2.423
1.00
43.28
A

ATOM
639
HH21
ARG
74
32.610
32.784
1.858
0.00
0.00
A

ATOM
640
HH22
ARG
74
34.210
33.404
2.067
0.00
0.00
A

ATOM
641
C
ARG
74
27.273
35.849
5.094
1.00
42.41
A

ATOM
642
O
ARG
74
27.694
36.452
6.074
1.00
44.60
A

ATOM
643
N
GLU
75
26.608
36.435
4.109
1.00
44.27
A

ATOM
644
H
GLU
75
26.337
35.928
3.306
0.00
0.00
A

ATOM
645
CA
GLU
75
26.273
37.840
4.206
1.00
49.91
A

ATOM
646
CB
GLU
75
25.497
38.307
2.989
1.00
56.82
A

ATOM
647
CG
GLU
75
26.328
38.760
1.813
1.00
69.50
A

ATOM
648
CD
GLU
75
25.471
39.510
0.798
1.00
77.99
A

ATOM
649
OE1
GLU
75
25.126
40.680
1.088
1.00
82.95
A

ATOM
650
OE2
GLU
75
25.114
38.928
−0.260
1.00
82.16
A

ATOM
651
C
GLU
75
25.394
37.997
5.443
1.00
48.94
A

ATOM
652
O
GLU
75
25.730
38.744
6.365
1.00
51.40
A

ATOM
653
N
LEU
76
24.299
37.249
5.489
1.00
44.75
A

ATOM
654
H
LEU
76
24.127
36.648
4.731
0.00
0.00
A

ATOM
655
CA
LEU
76
23.399
37.318
6.625
1.00
41.03
A

ATOM
656
CB
LEU
76
22.285
36.297
6.472
1.00
43.69
A

ATOM
657
CG
LEU
76
21.533
36.579
5.175
1.00
46.14
A

ATOM
658
CD1
LEU
76
20.772
35.387
4.717
1.00
49.05
A

ATOM
659
CD2
LEU
76
20.606
37.739
5.376
1.00
50.35
A

ATOM
660
C
LEU
76
24.163
37.082
7.909
1.00
39.22
A

ATOM
661
O
LEU
76
23.965
37.793
8.885
1.00
40.49
A

ATOM
662
N
LEU
77
25.086
36.131
7.899
1.00
36.28
A

ATOM
663
H
LEU
77
25.271
35.640
7.083
0.00
0.00
A

ATOM
664
CA
LEU
77
25.853
35.854
9.099
1.00
35.31
A

ATOM
665
CB
LEU
77
26.873
34.751
8.851
1.00
33.92
A

ATOM
666
CG
LEU
77
27.923
34.616
9.953
1.00
31.12
A

ATOM
667
CD1
LEU
77
27.228
34.447
11.270
1.00
29.53
A

ATOM
668
CD2
LEU
77
28.869
33.456
9.673
1.00
27.00
A

ATOM
669
C
LEU
77
26.571
37.099
9.584
1.00
35.33
A

ATOM
670
O
LEU
77
26.409
37.504
10.728
1.00
35.14
A

ATOM
671
N
ARG
78
27.331
37.721
8.697
1.00
37.12
A

ATOM
672
H
ARG
78
27.384
37.360
7.787
0.00
0.00
A

ATOM
673
CA
ARG
78
28.086
38.911
9.048
1.00
40.53
A

ATOM
674
CB
ARG
78
28.919
39.385
7.864
1.00
41.86
A

ATOM
675
CG
ARG
78
29.833
38.321
7.288
1.00
47.67
A

ATOM
676
CD
ARG
78
30.708
38.887
6.182
1.00
52.26
A

ATOM
677
NE
ARG
78
30.862
37.963
5.060
1.00
58.41
A

ATOM
678
HE
ARG
78
31.473
37.207
5.270
0.00
0.00
A

ATOM
679
CZ
ARG
78
30.204
38.078
3.906
1.00
60.91
A

ATOM
680
NH1
ARG
78
30.403
37.188
2.931
1.00
63.31
A

ATOM
681
HH11
ARG
78
31.020
36.417
3.091
0.00
0.00
A

ATOM
682
HH12
ARG
78
29.897
37.200
2.057
0.00
0.00
A

ATOM
683
NH2
ARG
78
29.343
39.082
3.727
1.00
61.35
A

ATOM
684
HH21
ARG
78
29.182
39.741
4.466
0.00
0.00
A

ATOM
685
HH22
ARG
78
28.790
39.193
2.888
0.00
0.00
A

ATOM
686
C
ARG
78
27.232
40.053
9.583
1.00
41.80
A

ATOM
687
O
ARG
78
27.656
40.750
10.497
1.00
43.93
A

ATOM
688
N
GLU
79
26.038
40.248
9.027
1.00
42.51
A

ATOM
689
H
GLU
79
25.751
39.663
8.293
0.00
0.00
A

ATOM
690
CA
GLU
79
25.149
41.317
9.489
1.00
43.72
A

ATOM
691
CB
GLU
79
23.944
41.475
8.564
1.00
46.44
A

ATOM
692
CG
GLU
79
22.919
42.512
9.026
1.00
51.28
A

ATOM
693
CD
GLU
79
23.459
43.947
9.085
1.00
56.78
A

ATOM
694
OE1
GLU
79
24.634
44.207
8.721
1.00
59.39
A

ATOM
695
OE2
GLU
79
22.688
44.834
9.509
1.00
57.97
A

ATOM
696
C
GLU
79
24.655
41.024
10.894
1.00
43.92
A

ATOM
697
O
GLU
79
24.802
41.845
11.802
1.00
46.22
A

ATOM
698
N
ALA
80
24.053
39.855
11.070
1.00
42.17
A

ATOM
699
H
ALA
80
23.945
39.254
10.301
0.00
0.00
A

ATOM
700
CA
ALA
80
23.570
39.465
12.370
1.00
39.72
A

ATOM
701
CB
ALA
80
23.103
38.056
12.338
1.00
40.66
A

ATOM
702
C
ALA
80
24.742
39.624
13.325
1.00
39.96
A

ATOM
703
O
ALA
80
24.557
40.033
14.464
1.00
40.78
A

ATOM
704
N
TRP
81
25.958
39.386
12.840
1.00
39.30
A

ATOM
705
H
TRP
81
26.066
39.083
11.914
0.00
0.00
A

ATOM
706
CA
TRP
81
27.136
39.543
13.689
1.00
42.05
A

ATOM
707
CB
TRP
81
28.375
38.926
13.050
1.00
38.33
A

ATOM
708
CG
TRP
81
29.620
38.975
13.907
1.00
37.75
A

ATOM
709
CD2
TRP
81
29.748
38.617
15.300
1.00
38.66
A

ATOM
710
CE2
TRP
81
31.102
38.807
15.659
1.00
37.15
A

ATOM
711
CE3
TRP
81
28.854
38.158
16.275
1.00
38.12
A

ATOM
712
CD1
TRP
81
30.862
39.346
13.502
1.00
39.82
A

ATOM
713
NE1
TRP
81
31.759
39.246
14.543
1.00
40.19
A

ATOM
714
HE1
TRP
81
32.732
39.410
14.494
0.00
0.00
A

ATOM
715
CZ2
TRP
81
31.581
38.558
16.943
1.00
34.97
A

ATOM
716
CZ3
TRP
81
29.336
37.907
17.555
1.00
36.98
A

ATOM
717
CH2
TRP
81
30.686
38.111
17.874
1.00
35.39
A

ATOM
718
C
TRP
81
27.395
41.014
13.972
1.00
46.61
A

ATOM
719
O
TRP
81
27.639
41.395
15.116
1.00
48.53
A

ATOM
720
N
ARG
82
27.326
41.846
12.938
1.00
50.32
A

ATOM
721
H
ARG
82
27.076
41.499
12.063
0.00
0.00
A

ATOM
722
CA
ARG
82
27.560
43.272
13.100
1.00
52.07
A

ATOM
723
CB
ARG
82
27.252
44.030
11.812
1.00
55.97
A

ATOM
724
CG
ARG
82
27.495
45.543
11.910
1.00
64.10
A

ATOM
725
CD
ARG
82
26.946
46.311
10.690
1.00
68.44
A

ATOM
726
NE
ARG
82
25.484
46.268
10.607
1.00
70.46
A

ATOM
727
HE
ARG
82
25.121
45.686
9.886
0.00
0.00
A

ATOM
728
CZ
ARG
82
24.665
46.928
11.423
1.00
71.72
A

ATOM
729
NH1
ARG
82
23.351
46.821
11.269
1.00
72.58
A

ATOM
730
HH11
ARG
82
23.043
46.234
10.504
0.00
0.00
A

ATOM
731
HH12
ARG
82
22.657
47.276
11.819
0.00
0.00
A

ATOM
732
NH2
ARC
82
25.160
47.705
12.385
1.00
72.76
A

ATOM
733
HH21
ARG
82
26.153
47.790
12.487
0.00
0.00
A

ATOM
734
HH22
ARG
82
24.580
48.221
13.018
0.00
0.00
A

ATOM
735
C
ARG
82
26.639
43.759
14.193
1.00
52.64
A

ATOM
736
O
ARG
82
27.088
44.305
15.202
1.00
53.08
A

ATOM
737
N
ARG
83
25.353
43.491
14.016
1.00
52.67
A

ATOM
738
H
ARG
83
25.085
42.990
13.222
0.00
0.00
A

ATOM
739
CA
ARG
83
24.363
43.900
14.984
1.00
54.47
A

ATOM
740
CB
ARG
83
22.976
43.469
14.540
1.00
56.44
A

ATOM
741
CG
ARG
83
22.640
43.960
13.169
1.00
62.89
A

ATOM
742
CD
ARG
83
21.158
43.897
12.898
1.00
70.83
A

ATOM
743
NE
ARG
83
20.920
44.170
11.485
1.00
78.75
A

ATOM
744
HE
ARG
83
21.737
44.321
10.981
0.00
0.00
A

ATOM
745
CZ
ARG
83
19.733
44.144
10.880
1.00
82.99
A

ATOM
746
NH1
ARG
83
19.660
44.407
9.575
1.00
86.53
A

ATOM
747
HH11
ARG
83
20.535
44.590
9.092
0.00
0.00
A

ATOM
748
HH12
ARG
83
18.821
44.398
9.028
0.00
0.00
A

ATOM
749
NH2
ARG
83
18.629
43.849
11.565
1.00
85.70
A

ATOM
750
HH21
ARG
83
18.687
43.634
12.543
0.00
0.00
A

ATOM
751
HH22
ARG
83
17.721
43.804
11.138
0.00
0.00
A

ATOM
752
C
ARG
83
24.684
43.331
16.355
1.00
55.06
A

ATOM
753
O
ARG
83
24.586
44.034
17.359
1.00
58.66
A

ATOM
754
N
ILE
84
25.115
42.081
16.411
1.00
53.17
A

ATOM
755
H
ILE
84
25.216
41.550
15.595
0.00
0.00
A

ATOM
756
CA
ILE
84
25.428
41.500
17.701
1.00
52.18
A

ATOM
757
CB
ILE
84
25.805
40.011
17.568
1.00
51.79
A

ATOM
758
CG2
ILE
84
26.376
39.472
18.887
1.00
48.98
A

ATOM
759
CG1
ILE
84
24.567
39.214
17.152
1.00
51.44
A

ATOM
760
CD1
ILE
84
24.863
37.808
16.731
1.00
51.44
A

ATOM
761
C
ILE
84
26.539
42.283
18.388
1.00
52.41
A

ATOM
762
O
ILE
84
26.417
42.659
19.555
1.00
52.74
A

ATOM
763
N
GLN
85
27.590
42.592
17.644
1.00
52.68
A

ATOM
764
H
GLN
85
27.593
42.351
16.699
0.00
0.00
A

ATOM
765
CA
GLN
85
28.715
43.310
18.214
1.00
54.90
A

ATOM
766
CB
GLN
85
29.845
43.437
17.202
1.00
56.98
A

ATOM
767
CG
GLN
85
30.449
42.119
16.774
1.00
61.89
A

ATOM
768
CD
GLN
85
31.701
42.300
15.935
1.00
65.11
A

ATOM
769
OE1
GLN
85
32.820
42.177
16.437
1.00
68.32
A

ATOM
770
NE2
GLN
85
31.521
42.592
14.649
1.00
67.22
A

ATOM
771
HE21
GLN
85
30.611
42.667
14.301
0.00
0.00
A

ATOM
772
HE22
GLN
85
32.335
42.706
14.123
0.00
0.00
A

ATOM
773
C
GLN
85
28.306
44.686
18.682
1.00
55.53
A

ATOM
774
O
GLN
85
28.765
45.161
19.721
1.00
56.98
A

ATOM
775
N
ALA
86
27.426
45.314
17.916
1.00
55.14
A

ATOM
776
H
ALA
86
27.087
44.860
17.116
0.00
0.00
A

ATOM
777
CA
ALA
86
26.949
46.648
18.232
1.00
54.85
A

ATOM
778
CB
ALA
86
26.059
47.159
17.138
1.00
55.46
A

ATOM
779
C
ALA
86
26.205
46.663
19.542
1.00
55.92
A

ATOM
780
O
ALA
86
26.148
47.692
20.203
1.00
58.87
A

ATOM
781
N
LYS
87
25.599
45.534
19.899
1.00
57.19
A

ATOM
782
H
LYS
87
25.627
44.753
19.303
0.00
0.00
A

ATOM
783
CA
LYS
87
24.871
45.433
21.159
1.00
57.01
A

ATOM
784
CB
LYS
87
23.890
44.252
21.123
1.00
58.40
A

ATOM
785
CG
LYS
87
22.771
44.333
22.172
1.00
62.46
A

ATOM
786
CD
LYS
87
22.008
43.008
22.359
1.00
62.00
A

ATOM
787
CE
LYS
87
21.018
43.083
23.530
1.00
61.79
A

ATOM
788
NZ
LYS
87
20.803
41.767
24.198
1.00
59.11
A

ATOM
789
HZ1
LYS
87
20.121
41.870
24.993
0.00
0.00
A

ATOM
790
HZ2
LYS
87
21.681
41.431
24.616
0.00
0.00
A

ATOM
791
HZ3
LYS
87
20.450
41.049
23.540
0.00
0.00
A

ATOM
792
C
LYS
87
25.913
45.267
22.280
1.00
56.72
A

ATOM
793
O
LYS
87
25.573
45.129
23.454
1.00
55.76
A

ATOM
794
N
GLY
88
27.184
45.240
21.889
1.00
56.94
A

ATOM
795
H
GLY
88
27.408
45.278
20.950
0.00
0.00
A

ATOM
796
CA
GLY
88
28.269
45.130
22.840
1.00
58.00
A

ATOM
797
C
GLY
88
28.911
43.775
23.069
1.00
60.12
A

ATOM
798
O
GLY
88
29.880
43.684
23.827
1.00
63.62
A

ATOM
799
N
TYR
89
28.428
42.722
22.420
1.00
58.51
A

ATOM
800
H
TYR
89
27.711
42.835
21.766
0.00
0.00
A

ATOM
801
CA
TYR
89
29.016
41.407
22.654
1.00
54.55
A

ATOM
802
CB
TYR
89
27.976
40.310
22.421
1.00
54.07
A

ATOM
803
CG
TYR
89
26.698
40.482
23.208
1.00
51.97
A

ATOM
804
CD1
TYR
89
25.592
41.096
22.634
1.00
53.11
A

ATOM
805
CE1
TYR
89
24.390
41.210
23.324
1.00
52.90
A

ATOM
806
CD2
TYR
89
26.576
39.990
24.505
1.00
49.82
A

ATOM
807
CE2
TYR
89
25.374
40.104
25.210
1.00
50.76
A

ATOM
808
CZ
TYR
89
24.281
40.713
24.607
1.00
53.59
A

ATOM
809
OH
TYR
89
23.066
40.821
25.257
1.00
56.60
A

ATOM
810
HH
TYR
89
23.163
40.512
26.168
0.00
0.00
A

ATOM
811
C
TYR
89
30.244
41.134
21.797
1.00
52.34
A

ATOM
812
O
TYR
89
30.473
41.808
20.799
1.00
50.71
A

ATOM
813
N
THR
90
31.053
40.175
22.233
1.00
51.85
A

ATOM
814
H
THE
90
30.841
39.730
23.081
0.00
0.00
A

ATOM
815
CA
THR
90
32.245
39.743
21.505
1.00
53.32
A

ATOM
816
CB
THR
90
33.568
40.187
22.180
1.00
54.28
A

ATOM
817
OG1
THR
90
33.661
39.640
23.503
1.00
58.40
A

ATOM
818
HG1
THR
90
32.959
40.048
24.021
0.00
0.00.
A

ATOM
819
CG2
THR
90
33.632
41.679
22.267
1.00
56.17
A

ATOM
820
C
THR
90
32.182
38.216
21.480
1.00
51.90
A

ATOM
821
O
THR
90
31.660
37.591
22.416
1.00
51.56
A

ATOM
822
N
LEU
91
32.723
37.611
20.430
1.00
49.36
A

ATOM
823
H
LEU
91
33.184
38.137
19.745
0.00
0.00
A

ATOM
824
CA
LEU
91
32.664
36.161
20.299
1.00
46.19
A

ATOM
825
CB
LEU
91
33.088
35.730
18.902
1.00
39.87
A

ATOM
826
CG
LEU
91
32.847
34.262
18.584
1.00
34.13
A

ATOM
827
CD1
LEU
91
31.435
34.137
18.052
1.00
36.72
A

ATOM
828
CD2
LEU
91
33.846
33.783
17.546
1.00
32.22
A

ATOM
829
C
LEU
91
33.465
35.369
21.315
1.00
46.20
A

ATOM
830
O
LEU
91
34.645
35.623
21.525
1.00
47.57
A

ATOM
831
N
GLY
92
32.805
34.414
21.953
1.00
46.14
A

ATOM
832
H
GLY
92
31.850
34.287
21.791
0.00
0.00
A

ATOM
833
CA
GLY
92
33.490
33.561
22.901
1.00
45.45
A

ATOM
834
C
GLY
92
33.992
32.430
22.041
1.00
45.08
A

ATOM
835
O
GLY
92
35.190
32.249
21.888
1.00
49.03
A

ATOM
836
N
ASN
93
33.054
31.711
21.432
1.00
43.48
A

ATOM
837
H
ASN
93
32.110
31.939
21.577
0.00
0.00
A

ATOM
838
CA
ASN
93
33.352
30.593
20.538
1.00
39.47
A

ATOM
839
CB
ASN
93
34.161
29.526
21.235
1.00
39.34
A

ATOM
840
CG
ASN
93
33.363
28.795
22.268
1.00
39.86
A

ATOM
841
CD1
ASN
93
33.191
27.582
22.192
1.00
35.91
A

ATOM
842
ND2
ASN
93
32.868
29.532
23.257
1.00
44.26
A

ATOM
843
HD21
ASN
93
33.070
30.485
23.268
0.00
0.00
A

ATOM
844
HD22
ASN
93
32.318
29.088
23.930
0.00
0.00
A

ATOM
845
C
ASN
93
32.048
29.965
20.091
1.00
38.43
A

ATOM
846
O
ASN
93
31.007
30.146
20.735
1.00
38.86
A

ATOM
847
N
VAL
94
32.112
29.216
18.999
1.00
36.27
A

ATOM
848
H
VAL
94
32.976
29.064
18.555
0.00
0.00
A

ATOM
849
CA
VAL
94
30.942
28.557
18.449
1.00
34.16
A

ATOM
850
CB
VAL
94
30.435
29.287
17.197
1.00
32.82
A

ATOM
851
CG1
VAL
94
30.098
30.727
17.525
1.00
30.33
A

ATOM
852
CG2
VAL
94
31.476
29.219
16.104
1.00
33.81
A

ATOM
853
C
VAL
94
31.267
27.112
18.075
1.00
34.08
A

ATOM
854
O
VAL
94
32.432
26.765
17.810
1.00
35.73
A

ATOM
855
N
ASP
95
30.235
26.275
18.092
1.00
32.46
A

ATOM
856
H
ASP
95
29.347
26.589
18.354
0.00
0.00
A

ATOM
857
CA
ASP
95
30.355
24.873
17.741
1.00
29.24
A

ATOM
858
CB
ASP
95
30.353
24.002
18.980
1.00
30.14
A

ATOM
859
CG
ASP
95
30.835
22.610
18.694
1.00
32.11
A

ATOM
860
OD1
ASP
95
30.711
21.721
19.552
1.00
32.23
A

ATOM
861
OD2
ASP
95
31.351
22.375
17.591
1.00
35.88
A

ATOM
862
C
ASP
95
29.142
24.544
16.906
1.00
29.48
A

ATOM
863
O
ASP
95
28.007
24.881
17.286
1.00
30.34
A

ATOM
864
N
VAL
96
29.380
23.939
15.749
1.00
27.22
A

ATOM
865
H
VAL
96
30.314
23.728
15.534
0.00
0.00
A

ATOM
866
CA
VAL
96
28.310
23.572
14.830
1.00
26.10
A

ATOM
867
CB
VAL
96
28.543
24.253
13.463
1.00
25.27
A

ATOM
868
CG1
VAL
96
27.416
23.937
12.483
1.00
24.61
A

ATOM
869
CG2
VAL
96
28.644
25.736
13.648
1.00
23.46
A

ATOM
870
C
VAL
96
28.257
22.048
14.647
1.00
26.90
A

ATOM
871
O
VAL
96
29.275
21.361
14.730
1.00
29.30
A

ATOM
872
N
THR
97
27.077
21.493
14.438
1.00
26.67
A

ATOM
873
H
THR
97
26.269
22.034
14.375
0.00
0.00
A

ATOM
874
CA
THR
97
26.986
20.062
14.224
1.00
28.11
A

ATOM
875
CB
THR
97
26.318
19.355
15.371
1.00
25.26
A

ATOM
876
OG1
THR
97
27.055
19.587
16.570
1.00
30.62
A

ATOM
877
HG1
THR
97
27.916
19.228
16.333
0.00
0.00
A

ATOM
878
CG2
THR
97
26.295
17.895
15.105
1.00
22.05
A

ATOM
879
C
THR
97
26.114
19.855
13.019
1.00
31.81
A

ATOM
880
O
THR
97
24.920
20.126
13.083
1.00
38.03
A

ATOM
881
N
ILE
98
26.711
19.452
11.905
1.00
32.00
A

ATOM
882
H
ILE
98
27.674
19.297
11.903
0.00
0.00
A

ATOM
883
CA
ILE
98
25.962
19.204
10.683
1.00
32.35
A

ATOM
884
CB
ILE
98
26.866
19.327
9.464
1.00
31.39
A

ATOM
885
CG2
ILE
98
26.093
19.015
8.198
1.00
29.13
A

ATOM
886
CG1
ILE
98
27.454
20.729
9.413
1.00
29.61
A

ATOM
887
CD1
ILE
98
28.565
20.850
8.425
1.00
33.37
A

ATOM
888
C
ILE
98
25.442
17.774
10.781
1.00
34.71
A

ATOM
889
O
ILE
98
26.210
16.838
11.029
1.00
39.37
A

ATOM
890
N
ILE
99
24.137
17.606
10.651
1.00
33.08
A

ATOM
891
H
ILE
99
23.549
18.366
10.454
0.00
0.00
A

ATOM
892
CA
ILE
99
23.542
16.288
10.739
1.00
30.93
A

ATOM
893
CB
ILE
99
22.358
16.300
11.711
1.00
26.85
A

ATOM
894
CG2
ILE
99
21.784
14.937
11.849
1.00
22.64
A

ATOM
895
CG1
ILE
99
22.836
16.773
13.074
1.00
25.93
A

ATOM
896
CD1
ILE
99
21.754
16.917
14.079
1.00
25.84
A

ATOM
897
C
ILE
99
23.085
15.962
9.330
1.00
32.99
A

ATOM
898
O
ILE
99
22.112
16.532
8.845
1.00
35.97
A

ATOM
899
N
ALA
100
23.831
15.102
8.648
1.00
33.05
A

ATOM
900
H
ALA
100
24.637
14.720
9.049
0.00
0.00
A

ATOM
901
CA
ALA
100
23.503
14.716
7.291
1.00
32.96
A

ATOM
902
CB
ALA
100
24.043
15.728
6.341
1.00
34.32
A

ATOM
903
C
ALA
100
24.063
13.342
6.970
1.00
35.90
A

ATOM
904
O
ALA
100
25.150
12.989
7.413
1.00
36.85
A

ATOM
905
N
GLN
101
23.293
12.554
6.227
1.00
38.33
A

ATOM
906
H
GLN
101
22.428
12.908
5.926
0.00
0.00
A

ATOM
907
CA
GLN
101
23.698
11.203
5.835
1.00
39.38
A

ATOM
908
CB
GLN
101
22.491
10.455
5.265
1.00
42.32
A

ATOM
909
CG
GLN
101
22.674
8.960
5.077
1.00
42.69
A

ATOM
910
CD
GLN
101
22.830
8.238
6.387
1.00
45.23
A

ATOM
911
OE1
GLN
101
23.519
7.223
6.469
1.00
51.65
A

ATOM
912
NE2
GLN
101
22.185
8.751
7.431
1.00
46.60
A

ATOM
913
HE21
GLN
101
21.593
9.521
7.308
0.00
0.00
A

ATOM
914
HE22
GLN
101
22.365
8.326
8.291
0.00
0.00
A

ATOM
915
C
GLN
101
24.764
11.318
4.759
1.00
38.81
A

ATOM
916
O
GLN
101
25.644
10.473
4.625
1.00
39.22
A

ATOM
917
N
ALA
102
24.639
12.366
3.966
1.00
38.46
A

ATOM
918
H
ALA
102
23.903
13.003
4.082
0.00
0.00
A

ATOM
919
CA
ALA
102
25.563
12.638
2.889
1.00
38.28
A

ATOM
920
CB
ALA
102
25.407
11.613
1.834
1.00
36.84
A

ATOM
921
C
ALA
102
25.124
13.988
2.372
1.00
39.02
A

ATOM
922
O
ALA
102
23.975
14.369
2.583
1.00
40.61
A

ATOM
923
N
PRO
103
25.982
14.695
1.615
1.00
39.15
A

ATOM
924
CD
PRO
103
25.577
16.001
1.058
1.00
37.61
A

ATOM
925
CA
PRO
103
27.339
14.345
1.188
1.00
39.10
A

ATOM
926
CB
PRO
103
27.659
15.457
0.190
1.00
37.26
A

ATOM
927
CG
PRO
103
26.875
16.616
0.698
1.00
34.70
A

ATOM
928
C
PRO
103
28.352
14.264
2.334
1.00
42.77
A

ATOM
929
O
PRO
103
27.992
14.481
3.489
1.00
45.37
A

ATOM
930
N
LYS
104
29.601
13.895
2.035
1.00
45.27
A

ATOM
931
H
LYS
104
29.846
13.710
1.107
0.00
0.00
A

ATOM
932
CA
LYS
104
30.627
13.805
3.081
1.00
44.20
A

ATOM
933
CB
LYS
104
31.797
12.920
2.648
1.00
50.54
A

ATOM
934
CG
LYS
104
32.513
12.256
3.827
1.00
62.62
A

ATOM
935
CD
LYS
104
31.514
11.371
4.589
1.00
76.42
A

ATOM
936
CE
LYS
104
32.070
10.739
5.881
1.00
83.18
A

ATOM
937
NZ
LYS
104
30.982
9.986
6.640
1.00
88.44
A

ATOM
938
HZ1
LYS
104
30.601
9.227
6.038
0.00
0.00
A

ATOM
939
HZ2
LYS
104
30.206
10.636
6.886
0.00
0.00
A

ATOM
940
HZ3
LYS
104
31.386
9.565
7.507
0.00
0.00
A

ATOM
941
C
LYS
104
31.127
15.201
3.418
1.00
41.08
A

ATOM
942
O
LYS
104
31.794
15.846
2.614
1.00
43.19
A

ATOM
943
N
MET
105
30.751
15.678
4.589
1.00
36.31
A

ATOM
944
H
MET
105
30.151
15.134
5.131
0.00
0.00
A

ATOM
945
CA
MET
105
31.124
16.992
5.037
1.00
31.86
A

ATOM
946
CB
MET
105
30.331
17.333
6.278
1.00
32.58
A

ATOM
947
CG
MET
105
28.854
17.311
6.053
1.00
35.13
A

ATOM
948
SD
MET
105
28.493
18.486
4.777
1.00
40.47
A

ATOM
949
CE
MET
105
26.752
18.172
4.474
1.00
36.63
A

ATOM
950
C
MET
105
32.577
17.078
5.373
1.00
30.67
A

ATOM
951
O
MET
105
33.275
17.981
4.949
1.00
32.68
A

ATOM
952
N
LEU
106
33.040
16.116
6.131
1.00
31.08
A

ATOM
953
H
LEU
106
32.426
15.440
6.402
0.00
0.00
A

ATOM
954
CA
LEU
106
34.411
16.107
6.596
1.00
36.94
A

ATOM
955
CB
LEU
106
34.909
14.685
6.808
1.00
40.28
A

ATOM
956
CG
LEU
106
36.223
14.708
7.584
1.00
42.16
A

ATOM
957
CD1
LEU
106
35.947
15.095
9.034
1.00
41.26
A

ATOM
958
CD2
LEU
106
36.905
13.363
7.489
1.00
43.74
A

ATOM
959
C
LEU
106
35.470
16.913
5.850
1.00
37.57
A

ATOM
960
O
LEU
106
35.883
17.963
6.304
1.00
40.43
A

ATOM
961
N
PRO
107
35.862
16.480
4.663
1.00
38.57
A

ATOM
962
CD
PRO
107
35.190
15.508
3.795
1.00
39.15
A

ATOM
963
CA
PRO
107
36.887
17.211
3.912
1.00
40.04
A

ATOM
964
CB
PRO
107
36.865
16.513
2.559
1.00
41.84
A

ATOM
965
CG
PRO
107
35.451
16.092
2.435
1.00
40.97
A

ATOM
966
C
PRO
107
36.711
18.715
3.734
1.00
40.20
A

ATOM
957
O
PRO
107
37.686
19.426
3.499
1.00
40.90
A

ATOM
968
N
HIS
108
35.476
19.198
3.809
1.00
39.98
A

ATOM
969
H
HIS
108
34.753
18.589
4.047
0.00
0.00
A

ATOM
970
CA
HIS
108
35.207
20.619
3.616
1.00
39.72
A

ATOM
971
CB
HIS
108
33.835
20.787
2.987
1.00
38.24
A

ATOM
972
CG
HIS
108
33.593
19.881
1.827
1.00
35.08
A

ATOM
973
CD2
HIS
108
32.880
18.736
1.725
1.00
36.07
A

ATOM
974
ND1
HIS
108
34.112
20.122
0.577
1.00
33.69
A

ATOM
975
HD1
HIS
108
34.621
20.916
0.315
0.00
0.00
A

ATOM
976
CE1
HIS
108
33.728
19.163
0.247
1.00
34.76
A

ATOM
977
NE2
HIS
108
32.979
18.309
0.426
1.00
35.43
A

ATOM
978
HE2
HIS
108
32.554
17.493
0.073
0.00
0.00
A

ATOM
979
C
HIS
108
35.269
21.464
4.887
1.00
39.86
A

ATOM
980
O
HIS
108
35.406
22.688
4.834
1.00
41.64
A

ATOM
981
N
ILE
109
35.186
20.816
6.034
1.00
38.13
A

ATOM
982
H
ILE
109
35.134
19.834
6.034
0.00
0.00
A

ATOM
983
CA
ILE
109
35.207
21.531
7.295
1.00
34.51
A

ATOM
984
CB
ILE
109
35.070
20.572
8.455
1.00
31.18
A

ATOM
985
CG2
ILE
109
35.118
21.312
9.760
1.00
27.62
A

ATOM
986
CG1
ILE
109
33.730
19.849
8.294
1.00
30.64
A

ATOM
987
CD1
ILE
109
33.410
18.864
9.351
1.00
33.03
A

ATOM
988
C
ILE
109
36.313
22.542
7.526
1.00
35.78
A

ATOM
989
O
ILE
109
36.045
23.611
8.054
1.00
39.62
A

ATOM
990
N
PRO
110
37.555
22.265
7.096
1.00
36.50
A

ATOM
991
CD
PRO
110
38.104
21.085
6.413
1.00
38.00
A

ATOM
992
CA
PRO
110
38.605
23.267
7.332
1.00
35.91
A

ATOM
993
CB
PRO
110
39.824
22.639
6.690
1.00
35.83
A

ATOM
994
CG
PRO
110
39.547
21.166
6.784
1.00
36.56
A

ATOM
995
C
PRO
110
38.251
24.568
6.631
1.00
36.73
A

ATOM
996
O
PRO
110
38.296
25.650
7.226
1.00
35.84
A

ATOM
997
N
GLN
111
37.859
24.447
5.367
1.00
38.47
A

ATOM
998
H
GLN
111
37.821
23.558
4.957
0.00
0.00
A

ATOM
999
CA
GLN
111
37.467
25.607
4.579
1.00
38.09
A

ATOM
1000
CB
GLN
111
37.132
25.183
3.156
1.00
35.39
A

ATOM
1001
CG
GLN
111
36.838
26.330
2.230
1.00
33.23
A

ATOM
1002
CD
GLN
111
37.935
27.359
2.236
1.00
33.42
A

ATOM
1003
OE1
GLN
111
37.681
28.530
2.456
1.00
37.52
A

ATOM
1004
NE2
GLN
111
39.169
26.926
2.020
1.00
32.86
A

ATOM
1005
HE21
GLN
111
39.253
25.966
1.908
0.00
0.00
A

ATOM
1006
HE22
GLN
111
39.878
27.605
1.988
0.00
0.00
A

ATOM
1007
C
GLN
111
36.266
26.303
5.223
1.00
40.04
A

ATOM
1008
O
GLN
111
36.176
27.531
5.206
1.00
44.61
A

ATOM
1009
N
MET
112
35.345
25.521
5.787
1.00
39.36
A

ATOM
1010
H
MET
112
35.448
24.550
5.737
0.00
0.00
A

ATOM
1011
CA
MET
112
34.169
26.075
6.452
1.00
37.11
A

ATOM
1012
CB
MET
112
33.292
24.963
7.003
1.00
36.47
A

ATOM
1013
CG
MET
112
32.320
24.373
6.033
1.00
37.30
A

ATOM
1014
SD
MET
112
31.389
23.105
6.868
1.00
37.52
A

ATOM
1015
CE
MET
112
30.550
22.435
5.557
1.00
38.44
A

ATOM
1016
C
MET
112
34.609
26.936
7.621
1.00
38.47
A

ATOM
1017
O
MET
112
34.092
28.036
7.826
1.00
39.53
A

ATOM
1018
N
ARC
113
35.573
26.433
8.390
1.00
38.62
A

ATOM
1019
H
ARG
113
35.951
25.560
8.158
0.00
0.00
A

ATOM
1020
CA
ARG
113
36.068
27.153
9.556
1.00
37.95
A

ATOM
1021
CB
ARG
113
36.978
26.280
10.403
1.00
34.65
A

ATOM
1022
CG
ARG
113
36.305
25.062
10.933
1.00
32.12
A

ATOM
1023
CD
ARG
113
37.287
24.194
11.655
1.00
32.67
A

ATOM
1024
NE
ARG
113
37.809
24.867
12.829
1.00
31.79
A

ATOM
1025
HE
ARG
113
37.195
25.500
13.255
0.00
0.00
A

ATOM
1026
CZ
ARG
113
39.032
24.679
13.300
1.00
34.41
A

ATOM
1027
NH1
ARG
113
39.434
25.336
14.381
1.00
34.94
A

ATOM
1028
HH11
ARG
113
38.781
25.982
14.818
0.00
0.00
A

ATOM
1029
HH12
ARG
113
40.325
25.239
14.824
0.00
0.00
A

ATOM
1030
NH2
ARG
113
39.862
23.853
12.670
1.00
35.69
A

ATOM
1031
HH21
ARG
113
39.537
23.367
11.860
0.00
0.00
A

ATOM
1032
HH22
ARG
113
40.780
23.669
13.020
0.00
0.00
A

ATOM
1033
C
ARG
113
36.803
28.399
9.150
1.00
39.28
A

ATOM
1034
O
ARG
113
36.853
29.355
9.902
1.00
43.62
A

ATOM
1035
N
VAL
114
37.396
28.390
7.970
1.00
38.97
A

ATOM
1036
H
VAL
114
37.368
27.579
7.420
0.00
0.00
A

ATOM
1037
CA
VAL
114
38.103
29.564
7.496
1.00
38.00
A

ATOM
1038
CB
VAL
114
38.898
29.238
6.259
1.00
36.79
A

ATOM
1039
CG1
VAL
114
39.492
30.487
5.704
1.00
37.14
A

ATOM
1040
CG2
VAL
114
39.974
28.209
6.598
1.00
34.77
A

ATOM
1041
C
VAL
114
37.097
30.667
7.189
1.00
38.83
A

ATOM
1042
O
VAL
114
37.265
31.807
7.613
1.00
41.57
A

ATOM
1043
N
PHE
115
36.031
30.310
6.484
1.00
37.62
A

ATOM
1044
H
PHE
115
35.956
29.380
6.170
0.00
0.00
A

ATOM
1045
CA
PHE
115
34.982
31.254
6.140
1.00
35.29
A

ATOM
1046
CB
PHE
115
33.931
30.562
5.303
1.00
32.15
A

ATOM
1047
CG
PHE
115
34.353
30.302
3.908
1.00
31.90
A

ATOM
1048
CD1
PHE
115
33.609
29.465
3.097
1.00
33.74
A

ATOM
1049
CD2
PHE
115
35.427
30.970
3.362
1.00
31.32
A

ATOM
1050
CE1
PHE
115
33.929
29.315
1.754
1.00
33.71
A

ATOM
1051
CE2
PHE
115
35.750
30.823
2.024
1.00
31.16
A

ATOM
1052
CZ
PHE
115
35.000
29.998
1.219
1.00
29.52
A

ATOM
1053
C
PHE
115
34.305
31.807
7.374
1.00
37.06
A

ATOM
1054
O
PHE
115
34.187
33.014
7.524
1.00
39.20
A

ATOM
1055
N
ILE
116
33.847
30.916
8.250
1.00
38.57
A

ATOM
1056
H
ILE
116
33.962
29.961
8.060
0.00
0.00
A

ATOM
1057
CA
ILE
116
33.153
31.321
9.473
1.00
38.49
A

ATOM
1058
CB
ILE
116
32.666
30.110
10.306
1.00
35.50
A

ATOM
1059
CG2
ILE
116
32.089
30.589
11.629
1.00
31.55
A

ATOM
1060
CG1
ILE
116
31.623
29.310
9.514
1.00
34.98
A

ATOM
1061
CD1
ILE
116
31.161
28.036
10.178
1.00
30.64
A

ATOM
1062
C
ILE
1T6
34.006
32.198
10.367
1.00
40.38
A

ATOM
1063
O
ILE
116
33.508
33.152
10.943
1.00
43.64
A

ATOM
1064
N
ALA
117
35.282
31.863
10.506
1.00
41.81
A

ATOM
1065
H
ALA
117
35.651
31.082
10.043
0.00
0.00
A

ATOM
1066
CA
ALA
117
36.175
32.643
11.356
1.00
43.48
A

ATOM
1067
CB
ALA
117
37.468
31.914
11.585
1.00
43.17
A

ATOM
1068
C
ALA
117
36.434
33.991
10.715
1.00
45.76
A

ATOM
1069
O
ALA
117
36.689
34.975
11.403
1.00
46.25
A

ATOM
1070
N
GLU
118
36.399
34.028
9.389
1.00
49.13
A

ATOM
1071
H
GLU
118
36.278
33.212
8.862
0.00
0.00
A

ATOM
1072
CA
GLU
118
36.591
35.281
8.677
1.00
51.41
A

ATOM
1073
CB
GLU
118
36.634
35.054
7.165
1.00
56.89
A

ATOM
1074
CG
GLU
118
38.027
34.971
6.554
1.00
66.15
A

ATOM
1075
CD
GLU
118
37.998
34.956
5.021
1.00
72.90
A

ATOM
1076
OE1
GLU
118
38.978
34.443
4.430
1.00
76.68
A

ATOM
1077
OE2
GLU
118
37.007
35.447
4.405
1.00
72.92
A

ATOM
1078
C
GLU
118
35.382
36.128
9.016
1.00
49.35
A

ATOM
1079
O
GLU
118
35.499
37.163
9.656
1.00
50.17
A

ATOM
1080
N
ASP
119
34.215−
35.619
8.647
1.00
47.09
A

ATOM
1081
H
ASP
119
34.186
34.769
8.170
0.00
0.00
A

ATOM
1082
CA
ASP
119
32.953
36.287
8.877
1.00
44.60
A

ATOM
1083
CB
ASP
119
31.816
35.338
8.529
1.00
43.17
A

ATOM
1084
CG
ASP
119
31.703
35.086
7.051
1.00
44.21
A

ATOM
1085
OD1
ASP
119
30.845
34.275
6.671
1.00
45.78
A

ATOM
1086
OD2
ASP
119
32.448
35.703
6.255
1.00
42.15
A

ATOM
1087
C
ASP
119
32.768
36.813
10.295
1.00
44.78
A

ATOM
1088
O
ASP
119
32.182
37.875
10.489
1.00
47.15
A

ATOM
1089
N
LEU
120
33.270
36.078
11.282
1.00
42.90
A

ATOM
1090
H
LEU
120
33.716
35.239
11.049
0.00
0.00
A

ATOM
1091
CA
LEU
120
33.125
36.476
12.673
1.00
42.63
A

ATOM
1092
CB
LEU
120
32.917
35.243
13.556
1.00
40.97
A

ATOM
1093
CG
LEU
120
31.708
34.341
13.305
1.00
38.07
A

ATOM
1094
CD1
LEU
120
31.685
33.256
14.351
1.00
37.85
A

ATOM
1095
CD2
LEU
120
30.431
35.137
13.370
1.00
38.16
A

ATOM
1096
C
LEU
120
34.317
37.276
13.181
1.00
44.65
A

ATOM
1097
O
LEU
120
34.271
37.873
14.262
1.00
48.38
A

ATOM
1098
N
GLY
121
35.398
37.261
12.418
1.00
44.89
A

ATOM
1099
H
GLY
121
35.414
36.757
11.579
0.00
0.00
A

ATOM
1100
CA
GLY
121
36.586
37.990
12.813
1.00
45.01
A

ATOM
1101
C
GLY
121
37.268
37.423
14.035
1.00
45.73
A

ATOM
1102
O
GLY
121
37.662
38.180
14.914
1.00
50.15
A

ATOM
1103
N
CYS
122
37.431
36.106
14.089
1.00
46.13
A

ATOM
1104
H
CYS
122
37.159
35.549
13.327
0.00
0.00
A

ATOM
1105
CA
CYS
122
38.079
35.454
15.228
1.00
47.73
A

ATOM
1106
CB
CYS
122
37.056
34.667
16.035
1.00
47.20
A

ATOM
1107
SG
CYS
122
36.281
33.344
15.099
1.00
42.47
A

ATOM
1108
C
CYS
122
39.116
34.489
14.700
1.00
48.85
A

ATOM
1109
O
CYS
122
39.299
34.389
13.494
1.00
48.78
A

ATOM
1110
N
HIS
123
39.817
33.793
15.586
1.00
51.62
A

ATOM
1111
H
HIS
123
39.585
33.859
16.541
0.00
0.00
A

ATOM
1112
CA
HIS
123
40.802
32.830
15.111
1.00
57.48
A

ATOM
1113
CB
HIS
123
41.856
32.474
16.171
1.00
71.19
A

ATOM
1114
CG
HIS
123
42.363
33.647
16.956
1.00
88.42
A

ATOM
1115
CD2
HIS
123
42.128
34.031
18.236
1.00
94.22
A

ATOM
1116
ND1
HIS
123
43.220
34.593
16.425
1.00
96.08
A

ATOM
1117
HD1
HIS
123
43.613
34.596
15.522
0.00
0.00
A

ATOM
1118
CE1
HIS
123
43.487
35.510
17.341
1.00
98.81
A

ATOM
1119
NE2
HIS
123
42.837
35.191
18.449
1.00
99.59
A

ATOM
1120
HE2
HIS
123
42.821
35.708
19.285
0.00
0.00
A

ATOM
1121
C
HIS
123
39.982
31.597
14.843
1.00
53.91
A

ATOM
1122
O
HIS
123
38.929
31.404
15.444
1.00
52.66
A

ATOM
1123
N
MET
124
40.477
30.739
13.968
1.00
51.05
A

ATOM
1124
H
MET
124
41.298
30.940
13.477
0.00
0.00
A

ATOM
1125
CA
MET
124
39.769
29.517
13.671
1.00
49.06
A

ATOM
1126
CB
MET
124
40.554
28.651
12.705
1.00
48.86
A

ATOM
1127
CG
MET
124
40.264
28.879
11.262
1.00
50.38
A

ATOM
1128
SD
MET
124
41.338
21.111
10.370
1.00
54.27
A

ATOM
1129
CE
MET
124
40.245
26.437
10.055
1.00
55.82
A

ATOM
1130
C
MET
124
39.567
28.719
14.935
1.00
48.93
A

ATOM
1131
O
MET
124
38.659
27.902
14.999
1.00
50.52
A

ATOM
1132
N
ASP
125
40.420
28.920
15.935
1.00
49.22
A

ATOM
1133
H
ASP
125
41.142
29.568
15.880
0.00
0.00
A

ATOM
1134
CA
ASP
125
40.280
28.145
17.158
1.00
50.57
A

ATOM
1135
CB
ASP
125
41.502
28.268
18.066
1.00
59.71
A

ATOM
1136
CG
ASP
125
41.590
27.121
19.086
1.00
69.02
A

ATOM
1137
OD1
ASP
125
42.457
26.231
18.904
1.00
76.01
A

ATOM
1138
OD2
ASP
125
40.794
27.081
20.064
1.00
71.67
A

ATOM
1139
C
ASP
125
39.008
28.480
17.915
1.00
47.32
A

ATOM
1140
O
ASP
125
38.587
27.737
18.792
1.00
45.87
A

ATOM
1141
N
ASP
126
38.375
29.587
17.578
1.00
44.13
A

ATOM
1142
H
ASP
126
38.713
30.216
16.920
0.00
0.00
A

ATOM
1143
CA
ASP
126
37.142
29.899
18.254
1.00
42.60
A

ATOM
1144
CB
ASP
126
36.992
31.401
18.419
1.00
45.25
A

ATOM
1145
CG
ASP
126
38.107
32.001
19.246
1.00
48.57
A

ATOM
1146
OD1
ASP
126
38.513
33.142
18.934
1.00
54.04
A

ATOM
1147
OD2
ASP
126
38.606
31.325
20.180
1.00
48.91
A

ATOM
1148
C
ASP
126
35.989
29.316
17.462
1.00
41.55
A

ATOM
1149
O
ASP
126
34.837
29.454
17.851
1.00
44.74
A

ATOM
1150
N
VAL
127
36.299
28.613
16.377
1.00
39.15
A

ATOM
1151
H
VAL
127
37.230
28.483
16.132
0.00
0.00
A

ATOM
1152
CA
VAL
127
35.274
28.021
15.530
1.00
37.59
A

ATOM
1153
CB
VAL
127
35.236
28.698
14.163
1.00
37.64
A

ATOM
1154
CG1
VAL
127
34.189
28.055
13.304
1.00
40.53
A

ATOM
1155
CG2
VAL
127
34.934
30.164
14.315
1.00
40.48
A

ATOM
1156
C
VAL
127
35.475
26.535
15.292
1.00
37.16
A

ATOM
1157
O
VAL
127
36.521
26.104
14.805
1.00
34.79
A

ATOM
1159
H
ASN
128
33.618
26.136
15.969
0.00
0.00
A

ATOM
1160
CA
ASN
128
34.487
24.317
15.391
1.00
39.61
A

ATOM
1161
CB
ASN
128
34.546
23.609
16.736
1.00
43.62
A

ATOM
1162
CG
ASN
128
34.847
22.134
16.597
1.00
47.36
A

ATOM
1163
OD1
ASN
128
35.815
21.754
15.942
1.00
49.87
A

ATOM
1164
ND2
ASK
128
34.022
21.293
17.213
1.00
49.51
A

ATOM
1165
HD21
ASN
128
33.277
21.700
17.717
0.00
0.00
A

ATOM
1166
HD22
ASN
128
34.186
20.329
17.138
0.00
0.00
A

ATOM
1167
C
ASN
128
33.258
23.850
14.608
1.00
38.87
A

ATOM
1168
O
ASN
128
32.156
24.389
14.783
1.00
41.23
A

ATOM
1169
N
VAL
129
33.447
22.871
13.726
1.00
34.70
A

ATOM
1170
H
VAL
129
34.326
22.448
13.622
0.00
0.00
A

ATOM
1171
CA
VAL
129
32.358
22.333
12.915
1.00
29.76
A

ATOM
1172
CB
VAL
129
32.398
22.904
11.497
1.00
26.47
A

ATOM
1173
CG1
VAL
129
31.369
22.227
10.607
1.00
25.24
A

ATOM
1174
CG2
VAL
129
32.148
24.371
11.540
1.00
23.29
A

ATOM
1175
C
VAL
129
32.579
20.836
12.855
1.00
31.02
A

ATOM
1176
O
VAL
129
33.707
20.385
12.693
1.00
33.10
A

ATOM
1177
N
LYS
130
31.524
20.058
13.035
1.00
31.47
A

ATOM
1178
H
LYS
130
30.636
20.451
13.167
0.00
0.00
A

ATOM
1179
CA
LYS
130
31.648
18.603
12.990
1.00
34.37
A

ATOM
1180
CB
LYS
130
31.651
18.021
14.401
1.00
36.93
A

ATOM
1181
CG
LYS
130
30.347
18.230
15.167
1.00
39.60
A

ATOM
1182
CD
LYS
130
30.451
17.711
16.593
1.00
39.50
A

ATOM
1183
CE
LYS
130
31.108
18.727
17.468
1.00
38.44
A

ATOM
1184
NZ
LYS
130
30.228
19.910
17.624
1.00
34.84
A

ATOM
1185
HZ1
LYS
130
30.776
20.562
18.223
0.00
0.00
A

ATOM
1186
HZ2
LYS
130
29.369
19.708
18.157
0.00
0.00
A

ATOM
1187
HZ3
LYS
130
30.067
20.458
16.757
0.00
0.00
A

ATOM
1188
C
LYS
130
30.439
18.097
12.241
1.00
35.86
A

ATOM
1189
O
LYS
130
29.493
18.864
12.028
1.00
39.30
A

ATOM
1190
N
ALA
131
30.435
16.826
11.858
1.00
33.92
A

ATOM
1191
H
ALA
131
31.181
16.219
12.097
0.00
0.00
A

ATOM
1192
CA
ALA
131
29.295
16.296
11.133
1.00
32.77
A

ATOM
1193
CB
ALA
131
29.614
16.179
9.680
1.00
30.18
A

ATOM
1194
C
ALA
131
28.891
14.957
11.674
1.00
34.79
A

ATOM
1195
O
ALA
131
29.674
14.297
12.349
1.00
37.48
A

ATOM
1196
N
THE
132
27.660
14.561
11.385
1.00
36.62
A

ATOM
1197
H
THR
132
27.051
15.132
10.873
0.00
0.00
A

ATOM
1198
CA
THR
132
27.156
13.275
11.820
1.00
39.88
A

ATOM
1199
CB
THR
132
26.659
13.322
13.262
1.00
41.64
A

ATOM
1200
OG1
THR
132
26.281
11.999
13.662
1.00
47.04
A

ATOM
1201
HG1
THR
132
25.380
11.738
13.434
0.00
0.00
A

ATOM
1202
CG2
THR
132
25.437
14.232
13.384
1.00
42.12
A

ATOM
1203
C
THR
132
25.982
12.828
10.966
1.00
41.21
A

ATOM
1204
O
THR
132
25.261
13.659
10.418
1.00
41.28
A

ATOM
1205
N
THR
133
25.781
11.516
10.874
1.00
42.73
A

ATOM
1206
H
THR
133
26.368
10.909
11.368
0.00
0.00
A

ATOM
1207
CA
THR
133
24.652
10.973
10.123
1.00
44.20
A

ATOM
1208
CB
THR
133
25.037
9.740
9.294
1.00
45.94
A

ATOM
1209
OG1
THR
133
25.124
8.601
10.152
1.00
47.84
A

ATOM
1210
HG1
THR
133
25.859
8.546
10.784
0.00
0.00
A

ATOM
1211
CG2
THR
133
26.368
9.930
8.614
1.00
48.01
A

ATOM
1212
C
THR
133
23.680
10.480
11.179
1.00
42.86
A

ATOM
1213
O
THR
133
24.024
10.412
12.357
1.00
46.33
A

ATOM
1214
N
THR
134
22.481
10.112
10.774
1.00
40.04
A

ATOM
1215
H
THR
134
22.171
10.213
9.855
0.00
0.00
A

ATOM
1216
CA
THR
134
21.539
9.589
11.738
1.00
39.32
A

ATOM
1217
CB
THR
134
20.263
10.349
11.671
1.00
36.35
A

ATOM
1218
OG1
THR
134
19.917
10.569
10.297
1.00
34.92
A

ATOM
1219
HG1
THR
134
18.946
10.524
10.242
0.00
0.00
A

ATOM
1220
CG2
THR
134
20.462
11.663
12.350
1.00
34.64
A

ATOM
1221
C
THR
134
21.328
8.110
11.437
1.00
43.18
A

ATOM
1222
O
THR
134
20.249
7.551
11.661
1.00
44.18
A

ATOM
1223
N
GLU
135
22.395
7.494
10.925
1.00
43.98
A

ATOM
1224
H
GLU
135
23.248
7.967
10.836
0.00
0.00
A

ATOM
1225
CA
GLU
135
22.444
6.084
10.557
1.00
43.99
A

ATOM
1226
CB
GLU
135
22.623
5.206
11.795
1.00
47.33
A

ATOM
1227
CG
GLU
135
23.763
5.627
12.726
1.00
57.69
A

ATOM
1228
CD
GLU
135
25.166
5.301
12.214
1.00
63.44
A

ATOM
1229
OE1
GLU
135
26.092
5.235
13.053
1.00
67.71
A

ATOM
1230
OE2
GLU
135
25.360
5.121
10.988
1.00
69.59
A

ATOM
1231
C
GLU
135
21.226
5.655
9.767
1.00
42.57
A

ATOM
1232
O
GLU
135
20.410
4.860
10.219
1.00
44.24
A

ATOM
1233
N
LYS
136
21.066
6.239
8.597
1.00
41.04
A

ATOM
1234
H
LYS
136
21.742
6.854
8.272
0.00
0.00
A

ATOM
1235
CA
LYS
136
19.943
5.898
7.756
1.00
41.08
A

ATOM
1236
CB
LYS
136
20.085
4.458
7.300
1.00
44.47
A

ATOM
1237
CG
LYS
136
21.165
4.259
6.250
1.00
49.59
A

ATOM
1238
CD
LYS
136
20.704
4.877
4.955
1.00
57.33
A

ATOM
1239
CE
LYS
136
21.477
4.350
3.764
1.00
65.59
A

ATOM
1240
NZ
LYS
136
20.880
4.888
2.498
1.00
70.82
A

ATOM
1241
HZ1
LYS
136
21.428
4.553
1.684
0.00
0.00
A

ATOM
1242
HZ2
LYS
136
20.920
5.928
2.547
0.00
0.00
A

ATOM
1243
HZ3
LYS
136
19.886
4.593
2.422
0.00
0.00
A

ATOM
1244
C
LYS
136
18.553
6.145
8.345
1.00
39.36
A

ATOM
1245
O
LYS
136
17.567
6.033
7.632
1.00
41.15
A

ATOM
1246
N
LEU
137
18.469
6.502
9.622
1.00
37.10
A

ATOM
1247
H
LEU
137
19.246
6.594
10.203
0.00
0.00
A

ATOM
1248
CA
LEU
137
17.182
6.788
10.248
1.00
35.46
A

ATOM
1249
CB
LEU
137
17.265
6.588
11.760
1.00
33.24
A

ATOM
1250
CG
LEU
137
17.709
5.239
12.257
1.00
30.79
A

ATOM
1251
CD1
LEU
137
17.842
5.261
13.739
1.00
33.51
A

ATOM
1252
CD2
LEU
137
16.684
4.266
11.864
1.00
32.33
A

ATOM
1253
C
LEU
137
16.764
8.245
10.015
1.00
35.18
A

ATOM
1254
O
LEU
137
17.612
9.146
9.911
1.00
33.95
A

ATOM
1255
N
GLY
138
15.455
8.473
9.986
1.00
32.70
A

ATOM
1256
H
GLY
138
14.876
7.692
10.062
0.00
0.00
A

ATOM
1257
CA
GLY
138
14.933
9.821
9.836
1.00
34.20
A

ATOM
1258
C
GLY
138
14.977
10.466
8.472
1.00
34.94
A

ATOM
1259
O
GLY
138
15.567
9.911
7.554
1.00
37.46
A

ATOM
1260
N
PHE
139
14.382
11.654
8.344
1.00
32.96
A

ATOM
1261
H
PHE
139
13.997
12.097
9.125
0.00
0.00
A

ATOM
1262
CA
PHE
139
14.353
12.334
7.058
1.00
31.79
A

ATOM
1263
CB
PHE
139
13.550
13.633
7.100
1.00
33.06
A

ATOM
1264
CG
PHE
139
14.207
14.760
7.860
1.00
34.50
A

ATOM
1265
CD1
PHE
139
15.048
15.652
7.218
1.00
34.41
A

ATOM
1266
CD2
PHE
139
13.915
14.983
9.196
1.00
32.34
A

ATOM
1267
CE1
PHE
139
15.575
16.747
7.897
1.00
34.13
A

ATOM
1268
CE2
PHE
139
14.447
16.085
9.877
1.00
30.58
A

ATOM
1269
CZ
PHE
139
15.271
16.962
9.227
1.00
29.75
A

ATOM
1270
C
PHE
139
15.760
12.592
6.636
1.00
32.63
A

ATOM
1271
O
PHE
139
16.067
12.581
5.453
1.00
31.67
A

ATOM
1272
N
THR
140
16.618
12.817
7.619
1.00
33.73
A

ATOM
1273
H
THR
140
16.352
12.832
8.557
0.00
0.00
A

ATOM
1274
CA
THR
140
18.013
13.045
7.331
1.00
37.52
A

ATOM
1275
CB
THR
140
18.785
13.458
8.571
1.00
35.72
A

ATOM
1276
OG1
THR
140
18.451
12.564
9.643
1.00
39.50
A

ATOM
1277
HG1
THR
140
19.095
12.696
10.349
0.00
0.00
A

ATOM
1278
CG2
THR
140
18.460
14.899
8.939
1.00
32.48
A

ATOM
1279
C
THR
140
18.562
11.718
6.849
1.00
39.69
A

ATOM
1280
O
THR
140
19.229
11.661
5.812
1.00
42.90
A

ATOM
1281
N
GLY
141
18.252
10.653
7.585
1.00
38.94
A

ATOM
1262
H
GLY
141
17.718
10.748
8.398
0.00
0.00
A

ATOM
1283
CA
GLY
141
18.731
9.328
7.222
1.00
37.80
A

ATOM
1284
C
GLY
141
18.233
8.844
5.877
1.00
38.02
A

ATOM
1285
O
GLY
141
18.907
8.090
5.182
1.00
40.16
A

ATOM
1286
N
ARG
142
17.065
9.316
5.478
1.00
37.88
A

ATOM
1287
H
ARG
142
16.597
9.962
6.031
0.00
0.00
A

ATOM
1288
CA
ARG
142
16.497
8.912
4.216
1.00
35.78
A

ATOM
1289
CB
ARG
142
14.994
8.950
4.298
1.00
33.88
A

ATOM
1290
CG
ARG
142
14.504
7.962
5.292
1.00
39.95
A

ATOM
1291
CD
ARG
142
13.044
7.686
5.094
1.00
45.40
A

ATOM
1292
NE
ARG
142
12.294
8.906
5.283
1.00
45.64
A

ATOM
1293
HE
ARG
142
12.083
9.382
4.454
0.00
0.00
A

ATOM
1294
CZ
ARG
142
11.920
9.355
6.467
1.00
47.74
A

ATOM
1295
NH1
ARG
142
11.256
10.493
6.549
1.00
53.62
A

ATOM
1296
HH11
ARG
142
11.134
10.992
5.657
0.00
0.00
A

ATOM
1297
HH12
ARG
142
10.944
10.950
7.362
0.00
0.00
A

ATOM
1298
NH2
ARG
142
12.212
8.662
7.560
1.00
48.74
A

ATOM
1299
HH21
ARG
142
12.725
7.804
7.452
0.00
0.00
A

ATOM
1300
HH22
ARG
142
11.954
8.957
8.471
0.00
0.00
A

ATOM
1301
C
ARG
142
16.974
9.780
3.089
1.00
36.10
A

ATOM
1302
O
ARG
142
16.589
9.594
1.951
1.00
39.86
A

ATOM
1303
N
GLY
143
17.824
10.736
3.397
1.00
36.39
A

ATOM
1304
H
GLY
143
18.123
10.866
4.320
0.00
0.00
A

ATOM
1305
CA
GLY
143
18.321
11.603
2.351
1.00
37.56
A

ATOM
1306
C
GLY
143
17.290
12.616
1.912
1.00
36.28
A

ATOM
1307
O
GLY
143
17.405
13.182
0.824
1.00
40.14
A

ATOM
1308
N
GLY
144
16.313
12.876
2.770
1.00
35.27
A

ATOM
1309
H
GLU
144
16.275
12.401
3.620
0.00
0.00
A

ATOM
1310
CA
GLU
144
15.272
13.824
2.464
1.00
34.37
A

ATOM
1311
CB
GLU
144
14.033
13.520
3.280
1.00
34.26
A

ATOM
1312
CG
GLU
144
13.478
12.145
2.962
1.00
38.03
A

ATOM
1313
CD
GLU
144
12.238
11.787
3.754
1.00
42.96
A

ATOM
1314
OE1
GLU
144
11.577
10.780
3.393
1.00
41.79
A

ATOM
1315
OE2
GLU
144
11.924
12.492
4.750
1.00
46.37
A

ATOM
1316
C
GLU
144
15.707
15.257
2.651
1.00
35.77
A

ATOM
1317
O
GLU
144
15.247
16.128
1.921
1.00
39.52
A

ATOM
1318
N
GLY
145
16.625
15.507
3.580
1.00
35.09
A

ATOM
1319
H
GLY
145
17.009
14.780
4.115
0.00
0.00
A

ATOM
1320
CA
GLY
145
17.090
16.869
3.822
1.00
34.50
A

ATOM
1321
C
GLY
145
18.285
16.887
4.753
1.00
34.83
A

ATOM
1322
O
GLY
145
18.782
15.821
5.102
1.00
39.97
A

ATOM
1323
N
ILE
146
18.791
18.060
5.117
1.00
33.76
A

ATOM
1324
H
ILE
146
18.371
18.889
4.799
0.00
0.00
A

ATOM
1325
CA
ILE
146
19.939
18.145
6.024
1.00
34.74
A

ATOM
1326
CB
ILE
146
21.161
18.867
5.407
1.00
34.28
A

ATOM
1327
CG2
ILE
146
22.243
19.020
6.431
1.00
36.35
A

ATOM
1328
CG1
ILE
146
21.791
18.064
4.289
1.00
34.71
A

ATOM
1329
CD1
ILE
146
23.060
18.701
3.783
1.00
33.05
A

ATOM
1330
C
ILE
146
19.484
19.013
7.169
1.00
36.16
A

ATOM
1331
O
ILE
146
18.691
19.935
6.964
1.00
41.73
A

ATOM
1332
N
ALA
147
19.967
18.730
8.371
1.00
33.96
A

ATOM
1333
H
ALA
147
20.619
18.001
8.484
0.00
0.00
A

ATOM
1334
CA
ALA
147
19.610
19.521
9.538
1.00
31.32
A

ATOM
1335
CB
ALA
147
18.856
18.678
10.532
1.00
30.85
A

ATOM
1336
C
ALA
147
20.934
19.942
10.116
1.00
30.81
A

ATOM
1337
O
ALA
147
21.961
19.398
9.738
1.00
33.32
A

ATOM
1338
N
CYS
148
20.936
20.892
11.034
1.00
30.12
A

ATOM
1339
H
CYS
148
20.103
21.335
11.304
0.00
0.00
A

ATOM
1340
CA
CYS
148
22.189
21.323
11.623
1.00
30.27
A

ATOM
1341
CB
CYS
148
22.932
22.211
10.645
1.00
31.14
A

ATOM
1342
SG
CYS
148
24.419
22.923
11.321
1.00
43.66
A

ATOM
1343
C
CYS
148
21.935
22.072
12.905
1.00
29.41
A

ATOM
1344
O
CYS
148
21.019
22.886
12.967
1.00
31.66
A

ATOM
1345
N
GLU
149
22.694
21.755
13.947
1.00
29.29
A

ATOM
1346
H
GLU
149
23.399
21.085
13.851
0.00
0.00
A

ATOM
1347
CA
GLU
149
22.537
22.427
15.234
1.00
31.44
A

ATOM
1348
CB
GLU
149
22.436
21.437
16.371
1.00
29.41
A

ATOM
1349
CG
GLU
149
21.199
20.642
16.368
1.00
35.53
A

ATOM
1350
CD
GLU
149
20.853
20.201
17.748
1.00
39.71
A

ATOM
1351
OE1
GLU
149
20.825
21.085
18.628
1.00
41.10
A

ATOM
1352
OE2
GLU
149
20.667
18.984
17.956
1.00
42.98
A

ATOM
1353
C
GLU
149
23.767
23.243
15.478
1.00
32.40
A

ATOM
1354
O
GLU
149
24.812
22.979
14.875
1.00
35.98
A

ATOM
1355
N
ALA
150
23.676
24.183
16.410
1.00
30.12
A

ATOM
1356
H
ALA
150
22.828
24.328
16.884
0.00
0.00
A

ATOM
1357
CA
ALA
150
24.824
25.010
16.722
1.00
29.19
A

ATOM
1358
CB
ALA
150
24.989
26.078
15.666
1.00
28.98
A

ATOM
1359
C
ALA
150
24.675
25.648
18.085
1.00
29.18
A

ATOM
1360
O
ALA
150
23.562
25.922
18.539
1.00
30.94
A

ATOM
1361
N
VAL
151
25.784
25.805
18.780
1.00
28.02
A

ATOM
1362
H
VAL
151
26.652
25.526
18.422
0.00
0.00
A

ATOM
1363
CA
VAL
151
25.740
26.455
20.064
1.00
30.70
A

ATOM
1364
CB
VAL
151
26.035
25.517
21.211
1.00
30.22
A

ATOM
1365
CG1
VAL
151
24.902
24.533
21.378
1.00
29.56
A

ATOM
1366
CG2
VAL
151
27.351
24.826
20.980
1.00
29.53
A

ATOM
1367
C
VAL
151
26.831
27.478
19.973
1.00
33.91
A

ATOM
1368
O
VAL
151
27.801
27.282
19.241
1.00
34.96
A

ATOM
1369
N
ALA
152
26.659
28.575
20.698
1.00
37.05
A

ATOM
1370
H
ALA
152
25.865
28.651
21.273
0.00
0.00
A

ATOM
1371
CA
ALA
152
27.617
29.672
20.703
1.00
37.81
A

ATOM
1372
CB
ALA
152
27.176
30.734
19.730
1.00
37.51
A

ATOM
1373
C
ALA
152
27.705
30.264
22.099
1.00
38.53
A

ATOM
1374
O
ALA
152
26.764
30.148
22.899
1.00
40.62
A

ATOM
1375
N
LEU
153
28.832
30.901
22.383
1.00
37.52
A

ATOM
1376
H
LEU
153
29.534
30.961
21.703
0.00
0.00
A

ATOM
1377
CA
LEU
153
29.063
31.528
23.671
1.00
35.79
A

ATOM
1378
CB
LEU
153
30.047
30.695
24.458
1.00
37.41
A

ATOM
1379
CG
LEU
153
30.367
31.053
25.902
1.00
42.45
A

ATOM
1380
CD1
LEU
153
30.932
29.827
26.608
1.00
43.24
A

ATOM
1381
CD2
LEU
153
31.377
32.187
25.939
1.00
47.27
A

ATOM
1382
C
LEU
153
29.636
32.895
23.361
1.00
36.48
A

ATOM
1383
O
LEU
153
30.630
33.001
22.643
1.00
37.54
A

ATOM
1384
N
LEU
154
28.931
33.937
23.788
1.00
36.82
A

ATOM
1385
H
LEU
154
28.113
33.771
24.286
0.00
0.00
A

ATOM
1386
CA
LEU
154
29.348
35.315
23.566
1.00
36.27
A

ATOM
1387
CB
LEU
154
28.182
36.173
23.098
1.00
31.06
A

ATOM
1388
CG
LEU
154
27.513
35.822
21.780
1.00
27.71
A

ATOM
1389
CD1
LEU
154
26.347
36.761
21.550
1.00
23.79
A

ATOM
1390
CD2
LEU
154
28.517
35.901
20.658
1.00
27.16
A

ATOM
1391
C
LEU
154
29.863
35.870
24.880
1.00
39.40
A

ATOM
1392
O
LEU
154
29.534
35.363
25.956
1.00
38.64
A

ATOM
1393
N
ILE
155
30.590
36.975
24.791
1.00
43.20
A

ATOM
1394
H
ILE
155
30.700
37.408
23.928
0.00
0.00
A

ATOM
1395
CA
ILE
155
31.188
37.603
25.955
1.00
45.95
A

ATOM
1396
CB
ILE
155
32.692
37.389
25.902
1.00
46.34
A

ATOM
1397
CG2
ILE
155
33.393
38.287
26.857
1.00
48.78
A

ATOM
1398
CG1
ILE
155
33.001
35.933
26.216
1.00
48.32
A

ATOM
1399
CD1
ILE
155
34.445
35.599
26.051
1.00
53.04
A

ATOM
1400
C
ILE
155
30.870
39.091
26.032
1.00
48.60
A

ATOM
1401
O
ILE
155
30.396
39.682
25.054
1.00
53.70
A

ATOM
1402
ZN
ZN
156
17.609
27.810
6.962
1.00
57.72
A

ATOM
1403
OZN
OZN
157
16.132
28.999
7.358
1.00
47.02
A

ATOM
1404
N1
CYT
669
8.409
30.546
12.853
1.00
37.71
A

ATOM
1405
C2
CYT
669
7.205
30.577
13.498
1.00
38.02
A

ATOM
1406
N3
CYT
669
6.468
29.456
13.776
1.00
36.07
A

ATOM
1407
C4
CYT
669
6.942
28.257
13.398
1.00
34.04
A

ATOM
1408
C5
CYT
669
8.162
28.171
12.744
1.00
34.45
A

ATOM
1409
C6
CYT
669
8.846
29.348
12.499
1.00
35.16
A

ATOM
1410
O2
CYT
669
6.727
31.652
13.861
1.00
42.67
A

ATOM
1411
N4
CYT
669
6.223
27.165
13.661
1.00
32.17
A

ATOM
1412
C1*
CYT
669
9.156
31.793
12.571
1.00
42.42
A

ATOM
1413
C2*
CYT
669
10.523
31.798
13.173
1.00
46.88
A

ATOM
1414
O2*
CYT
669
10.470
32.376
14.449
1.00
49.90
A

ATOM
1415
C3*
CYT
669
11.380
32.535
12.198
1.00
48.07
A

ATOM
1416
C4*
CYT
669
10.571
32.575
10.924
1.00
49.22
A

ATOM
1417
O4*
CYT
669
9.343
31.958
11.197
1.00
44.89
A

ATOM
1418
O3*
CYT
669
11.568
33.892
12.527
1.00
48.56
A

ATOM
1419
C5*
CYT
669
11.457
31.844
10.071
1.00
55.25
A

ATOM
1420
O5*
CYT
669
11.423
30.476
10.252
1.00
59.02
A

END

[0234]

6

ANNEX 2

Coordinates of structure mgcdp2

ATOM
1
CB
MET
1
29.813
33.877
29.728
1.00
45.57
A

ATOM
2
CG
MET
1
31.325
33.953
29.920
1.00
54.42
A

ATOM
3
SD
MET
1
32.281
33.696
28.405
1.00
65.45
A

ATOM
4
CE
MET
1
34.005
33.566
29.075
1.00
65.04
A

ATOM
5
C
MET
1
27.701
34.792
28.813
1.00
37.02
A

ATOM
6
O
MET
1
26.910
34.731
29.750
1.00
37.06
A

ATOM
7
HT1
MET
1
28.715
36.015
30.806
0.00
0.00
A

ATOM
8
HT2
MET
1
28.784
37.085
29.510
0.00
0.00
A

ATOM
9
N
MET
1
29.272
36.294
29.969
1.00
38.60
A

ATOM
10
HT3
MET
1
30.254
36.509
30.210
0.00
0.00
A

ATOM
11
CA
MET
1
29.168
35.100
29.075
1.00
39.50
A

ATOM
12
N
ARG
2
27.337
34.630
27.544
1.00
33.80
A

ATOM
13
H
ARG
2
27.977
34.640
26.808
0.00
0.00
A

ATOM
14
CA
ARG
2
25.966
34.314
27.162
1.00
31.46
A

ATOM
15
CB
ARG
2
25.254
35.548
26.589
1.00
30.37
A

ATOM
16
CG
ARG
2
24.801
36.496
27.688
1.00
30.99
A

ATOM
17
CD
ARG
2
24.011
37.675
27.172
1.00
37.34
A

ATOM
18
NE
ARG
2
22.720
37.297
26.602
1.00
41.01
A

ATOM
19
HE
ARG
2
22.757
36.738
25.798
0.00
0.00
A

ATOM
20
CZ
ARG
2
21.531
37.625
27.110
1.00
42.32
A

ATOM
21
NH1
ARG
2
20.424
37.213
26.492
1.00
38.62
A

ATOM
22
HH11
ARG
2
20.475
36.646
25.667
0.00
0.00
A

ATOM
23
HH12
ARG
2
19.519
37.447
26.837
0.00
0.00
A

ATOM
24
NH2
ARG
2
21.449
38.304
28.261
1.00
42.19
A

ATOM
25
HH21
ARG
2
22.237
38.585
28.802
0.00
0.00
A

ATOM
26
HH22
ARG
2
20.557
38.586
28.658
0.00
0.00
A

ATOM
27
C
ARG
2
25.964
33.136
26.193
1.00
29.80
A

ATOM
28
O
ARG
2
26.828
33.041
25.330
1.00
29.69
A

ATOM
29
N
ILE
3
24.990
32.244
26.354
1.00
29.64
A

ATOM
30
H
ILE
3
24.250
32.455
26.949
0.00
0.00
A

ATOM
31
CA
ILE
3
24.860
31.022
25.560
1.00
27.25
A

ATOM
32
CB
ILE
3
24.577
29.828
26.515
1.00
29.21
A

ATOM
33
CG2
ILE
3
23.172
29.914
27.085
1.00
28.35
A

ATOM
34
CG1
ILE
3
24.672
28.500
25.788
1.00
32.48
A

ATOM
35
CD1
ILE
3
24.341
27.340
26.697
1.00
37.82
A

ATOM
36
C
ILE
3
23.725
31.112
24.541
1.00
25.55
A

ATOM
37
O
ILE
3
22.694
31.712
24.818
1.00
26.38
A

ATOM
38
N
GLY
4
23.898
30.475
23.390
1.00
23.53
A

ATOM
39
H
GLY
4
24.728
29.981
23.217
0.00
0.00
A

ATOM
40
CA
GLY
4
22.866
30.481
22.363
1.00
21.33
A

ATOM
41
C
GLY
4
22.752
29.133
21.674
1.00
21.00
A

ATOM
42
O
GLY
4
23.684
28.331
21.706
1.00
21.02
A

ATOM
43
N
HIS
5
21.612
28.868
21.050
1.00
20.99
A

ATOM
44
H
HIS
5
20.959
29.569
20.997
0.00
0.00
A

ATOM
45
CA
HIS
5
21.381
27.604
20.352
1.00
20.38
A

ATOM
46
CB
HIS
5
20.649
26.599
21.251
1.00
20.12
A

ATOM
47
CG
HIS
5
20.263
25.332
20.549
1.00
22.13
A

ATOM
48
CD2
HIS
5
20.963
24.195
20.307
1.00
19.36
A

ATOM
49
ND1
HIS
5
19.035
25.162
19.941
1.00
23.51
A

ATOM
50
HD1
HIS
5
18.268
25.781
19.942
0.00
0.00
A

ATOM
51
CE1
HIS
5
19.000
23.981
19.345
1.00
23.02
A

ATOM
52
NE2
HIS
5
20.156
23.376
19.554
1.00
21.92
A

ATOM
53
HE2
HIS
5
20.287
22.438
19.285
0.00
0.00
A

ATOM
54
C
HIS
5
20.565
27.825
19.079
1.00
22.17
A

ATOM
55
O
HIS
5
19.569
28.570
19.081
1.00
22.67
A

ATOM
56
N
GLY
6
20.983
27.172
18.000
1.00
20.95
A

ATOM
57
H
GLY
6
21.791
26.612
18.027
0.00
0.00
A

ATOM
58
CA
GLY
6
20.270
27.280
16.743
1.00
21.94
A

ATOM
59
C
GLY
6
20.047
25.914
16.112
1.00
22.93
A

ATOM
60
O
GLY
6
20.794
24.971
16.371
1.00
24.45
A

ATOM
61
N
PHE
7
18.994
25.787
15.318
1.00
22.51
A

ATOM
62
H
PHE
7
18.406
26.550
15.106
0.00
0.00
A

ATOM
63
CA
PHE
7
18.705
24.526
14.655
1.00
22.04
A

ATOM
64
CB
PHE
7
17.805
23.663
15.525
1.00
19.14
A

ATOM
65
CG
PHE
7
17.297
22.451
14.830
1.00
19.29
A

ATOM
66
CD1
PHE
7
18.060
21.306
14.769
1.00
20.19
A

ATOM
67
CD2
PHE
7
16.066
22.462
14.203
1.00
20.81
A

ATOM
68
CE1
PHE
7
17.603
20.184
14.086
1.00
18.50
A

ATOM
69
CE2
PHE
7
15.604
21.346
13.520
1.00
20.63
A

ATOM
70
CZ
PHE
7
16.372
20.208
13.461
1.00
18.39
A

ATOM
71
C
PHE
7
18.029
24.829
13.329
1.00
23.15
A

ATOM
72
O
PHE
7
17.201
25.723
13.270
1.00
27.13
A

ATOM
73
N
ASP
8
18.415
24.129
12.266
1.00
23.83
A

ATOM
74
H
ASP
8
19.109
23.441
12.347
0.00
0.00
A

ATOM
75
CA
ASP
8
17.809
24.350
10.955
1.00
23.43
A

ATOM
76
CB
ASP
8
18.536
25.467
10.211
1.00
25.38
A

ATOM
77
CG
ASP
8
17.756
25.996
9.002
1.00
27.54
A

ATOM
78
OD1
ASP
8
18.432
26.452
8.064
1.00
29.53
A

ATOM
79
OD2
ASP
8
16.494
25.995
8.970
1.00
28.60
A

ATOM
80
C
ASP
8
17.754
23.078
10.103
1.00
23.85
A

ATOM
81
O
ASP
8
18.473
22.102
10.351
1.00
22.67
A

ATOM
82
N
VAL
9
16.857
23.089
9.122
1.00
22.84
A

ATOM
83
H
VAL
9
16.298
23.887
9.002
0.00
0.00
A

ATOM
84
CA
VAL
9
16.648
21.971
8.224
1.00
21.50
A

ATOM
85
CB
VAL
9
15.465
21.088
8.699
1.00
20.53
A

ATOM
86
CG1
VAL
9
15.109
20.034
7.650
1.00
18.50
A

ATOM
87
CG2
VAL
9
15.794
20.431
10.014
1.00
19.25
A

ATOM
88
C
VAL
9
16.277
22.520
6.863
1.00
23.27
A

ATOM
89
O
VAL
9
15.648
23.580
6.763
1.00
25.63
A

ATOM
90
N
HIS
10
16.756
21.847
5.819
1.00
25.28
A

ATOM
91
H
HIS
10
17.345
21.075
5.997
0.00
0.00
A

ATOM
92
CA
HIS
10
16.435
22.177
4.423
1.00
24.90
A

ATOM
93
CB
HIS
10
17.402
23.179
3.780
1.00
24.17
A

ATOM
94
CG
HIS
10
17.162
24.590
4.223
1.00
27.36
A

ATOM
95
CD2
HIS
10
17.793
25.355
5.147
1.00
28.24
A

ATOM
96
ND1
HIS
10
16.084
25.329
3.789
1.00
26.78
A

ATOM
97
HD1
HIS
10
15.474
25.012
3.070
0.00
0.00
A

ATOM
98
CE1
HIS
10
16.055
26.483
4.433
1.00
29.23
A

ATOM
99
NE2
HIS
10
17.081
26.527
5.267
1.00
31.54
A

ATOM
100
C
HIS
10
16.328
20.879
3.643
1.00
24.81
A

ATOM
101
O
HIS
10
17.037
19.900
3.919
1.00
24.91
A

ATOM
102
N
ALA
11
15.324
20.835
2.780
1.00
24.08
A

ATOM
103
H
ALA
11
14.735
21.608
2.675
0.00
0.00
A

ATOM
104
CA
ALA
11
15.054
19.666
1.976
1.00
23.13
A

ATOM
105
CB
ALA
11
13.569
19.596
1.674
1.00
22.04
A

ATOM
106
C
ALA
11
15.848
19.623
0.687
1.00
23.70
A

ATOM
107
O
ALA
11
16.144
20.652
0.087
1.00
24.62
A

ATOM
108
N
PHE
12
16.199
18.418
0.269
1.00
25.49
A

ATOM
109
H
PHE
12
15.926
17.631
0.789
0.00
0.00
A

ATOM
110
CA
PHE
12
16.913
18.235
−0.975
1.00
26.38
A

ATOM
111
CB
PHE
12
17.452
16.812
−1.087
1.00
23.20
A

ATOM
112
CG
PHE
12
18.734
16.608
−0.363
1.00
20.10
A

ATOM
113
CD1
PHE
12
19.812
17.449
−0.597
1.00
19.79
A

ATOM
114
CD2
PHE
12
18.858
15.614
0.577
1.00
17.04
A

ATOM
115
CE1
PHE
12
20.994
17.303
0.102
1.00
19.68
A

ATOM
116
CE2
PHE
12
20.037
15.462
1.283
1.00
18.75
A

ATOM
117
CZ
PHE
12
21.107
16.311
1.044
1.00
19.49
A

ATOM
118
C
PHE
12
15.925
18.502
−2.088
1.00
29.81
A

ATOM
119
O
PHE
12
14.723
18.259
−1.941
1.00
31.17
A

ATOM
120
N
GLY
13
16.429
19.027
−3.193
1.00
34.56
A

ATOM
121
H
GLY
13
17.376
19.242
−3.267
0.00
0.00
A

ATOM
122
CA
GLY
13
15.583
19.324
−4.327
1.00
36.61
A

ATOM
123
C
GLY
13
16.433
19.902
−5.426
1.00
39.05
A

ATOM
124
O
GLY
13
17.307
20.735
−5.167
1.00
41.03
A

ATOM
125
N
GLY
14
16.211
19.426
−6.646
1.00
40.90
A

ATOM
126
H
GLY
14
15.553
18.717
−6.775
0.00
0.00
A

ATOM
127
CA
GLY
14
16.970
19.915
−7.782
1.00
42.80
A

ATOM
128
C
GLY
14
18.319
19.251
−7.962
1.00
43.75
A

ATOM
129
O
GLY
14
18.552
18.144
−7.472
1.00
42.97
A

ATOM
130
N
GLU
15
19.206
19.954
−8.655
1.00
46.32
A

ATOM
131
H
GLU
15
18.977
20.840
−8.990
0.00
0.00
A

ATOM
132
CA
GLU
15
20.551
19.474
−8.940
1.00
49.76
A

ATOM
133
CB
GLU
15
20.952
19.898
−10.359
1.00
57.48
A

ATOM
134
CG
GLU
15
20.143
19.244
−11.477
1.00
67.67
A

ATOM
135
CD
GLU
15
20.382
17.740
−11.569
1.00
74.77
A

ATOM
136
OE1
GLU
15
19.392
16.969
−11.487
1.00
78.99
A

ATOM
137
OE2
GLU
15
21.561
17.332
−11.724
1.00
78.94
A

ATOM
138
C
GLU
15
21.573
20.023
−7.945
1.00
47.00
A

ATOM
139
O
GLU
15
21.358
21.083
−7.348
1.00
47.60
A

ATOM
140
N
GLY
16
22.681
19.305
−7.774
1.00
43.47
A

ATOM
141
H
GLY
16
22.785
18.476
−8.289
0.00
0.00
A

ATOM
142
CA
GLY
16
23.718
19.756
−6.867
1.00
38.10
A

ATOM
143
C
GLY
16
24.393
20.977
−7.453
1.00
36.67
A

ATOM
144
O
GLY
16
24.060
21.389
−8.566
1.00
37.70
A

ATOM
145
N
CPR
17
25.376
21.564
−6.760
1.00
33.07
A

ATOM
146
CD
CPR
17
26.058
22.731
−7.341
1.00
28.03
A

ATOM
147
CA
CPR
17
25.957
21.228
−5.463
1.00
31.17
A

ATOM
148
CB
CPR
17
27.313
21.901
−5.548
1.00
30.73
A

ATOM
149
CG
CPR
17
26.963
23.180
−6.217
1.00
28.65
A

ATOM
150
C
CPR
17
25.137
21.854
−4.342
1.00
30.88
A

ATOM
151
O
CPR
17
24.112
22.503
−4.585
1.00
34.56
A

ATOM
152
N
ILE
18
25.598
21.673
−3.116
1.00
27.52
A

ATOM
153
H
ILE
18
26.428
21.172
−2.963
0.00
0.00
A

ATOM
154
CA
ILE
18
24.926
22.240
−1.972
1.00
22.91
A

ATOM
155
CB
ILE
18
24.549
21.152
−0.938
1.00
21.47
A

ATOM
156
CG2
ILE
18
23.545
20.206
−1.524
1.00
20.06
A

ATOM
157
CG1
ILE
18
25.773
20.361
−0.485
1.00
19.34
A

ATOM
158
CD1
ILE
18
25.435
19.282
0.516
1.00
14.57
A

ATOM
159
C
ILE
18
25.921
23.190
−1.368
1.00
22.37
A

ATOM
160
O
ILE
18
27.106
23.065
−1.629
1.00
25.80
A

ATOM
161
N
ILE
19
25.454
24.186
−0.630
1.00
22.84
A

ATOM
162
H
ILE
19
24.495
24.313
−0.477
0.00
0.00
A

ATOM
163
CA
ILE
19
26.371
25.109
0.025
1.00
19.61
A

ATOM
164
CB
ILE
19
26.032
26.556
−0.288
1.00
19.09
A

ATOM
165
CG2
ILE
19
27.120
27.451
0.202
1.00
15.64
A

ATOM
166
CG1
ILE
19
25.878
26.752
−1.797
1.00
19.94
A

ATOM
167
CD1
ILE
19
27.121
26.566
−2.579
1.00
23.12
A

ATOM
168
C
ILE
19
26.173
24.868
1.511
1.00
20.51
A

ATOM
169
O
ILE
19
25.039
24.911
1.986
1.00
20.44
A

ATOM
170
N
ILE
20
27.248
24.496
2.209
1.00
19.87
A

ATOM
171
H
ILE
20
28.107
24.400
1.745
0.00
0.00
A

ATOM
172
CA
ILE
20
27.205
24.234
3.647
1.00
19.21
A

ATOM
173
CB
ILE
20
27.323
22.731
3.973
1.00
20.17
A

ATOM
174
CG2
ILE
20
27.141
22.514
5.480
1.00
16.96
A

ATOM
175
CG1
ILE
20
26.261
21.913
3.233
1.00
21.44
A

ATOM
176
CD1
ILE
20
24.845
22.059
3.806
1.00
19.65
A

ATOM
177
C
ILE
20
28.408
24.894
4.293
1.00
20.78
A

ATOM
178
O
ILE
20
29.540
24.605
3.923
1.00
24.00
A

ATOM
179
N
GLY
21
28.176
25.756
5.276
1.00
20.89
A

ATOM
180
H
GLY
21
27.252
25.979
5.506
0.00
0.00
A

ATOM
181
CA
GLY
21
29.281
26.427
5.943
1.00
18.56
A

ATOM
182
C
GLY
21
29.993
27.325
4.961
1.00
19.68
A

ATOM
183
O
GLY
21
31.145
27.685
5.146
1.00
21.98
A

ATOM
184
N
GLY
22
29.287
27.706
3.908
1.00
21.47
A

ATOM
185
H
GLY
22
28.349
27.438
3.820
0.00
0.00
A

ATOM
186
CA
GLY
22
29.868
28.560
2.894
1.00
22.19
A

ATOM
187
C
GLY
22
30.574
27.782
1.797
1.00
24.59
A

ATOM
188
O
GLY
22
30.942
28.368
0.786
1.00
27.44
A

ATOM
189
N
VAL
23
30.717
26.465
1.961
1.00
23.88
A

ATOM
190
H
VAL
23
30.346
26.036
2.760
0.00
0.00
A

ATOM
191
CA
VAL
23
31.409
25.619
0.991
1.00
19.56
A

ATOM
192
CB
VAL
23
32.246
24.548
1.722
1.00
15.76
A

ATOM
193
CG1
VAL
23
33.016
23.716
0.748
1.00
17.49
A

ATOM
194
CG2
VAL
23
33.223
25.210
2.644
1.00
14.82
A

ATOM
195
C
VAL
23
30.500
24.958
−0.043
1.00
22.85
A

ATOM
196
O
VAL
23
29.450
24.398
0.287
1.00
27.11
A

ATOM
197
N
ARG
24
30.871
25.080
−1.310
1.00
23.92
A

ATOM
198
H
ARG
24
31.661
25.598
−1.506
0.00
0.00
A

ATOM
199
CA
ARG
24
30.106
24.484
−2.391
1.00
25.47
A

ATOM
200
CB
ARG
24
30.402
25.196
−3.700
1.00
28.09
A

ATOM
201
CG
ARG
24
29.782
24.511
−4.888
1.00
38.07
A

ATOM
202
CD
ARG
24
30.126
25.209
−6.195
1.00
44.99
A

ATOM
203
NE
ARG
24
28.998
25.997
−6.679
1.00
53.12
A

ATOM
204
HE
ARG
24
28.726
26.726
−6.075
0.00
0.00
A

ATOM
205
CZ
ARG
24
28.378
25.786
−7.836
1.00
56.13
A

ATOM
206
NH1
ARG
24
27.351
26.558
−8.179
1.00
57.79
A

ATOM
207
HH11
ARG
24
27.042
27.300
−7.576
0.00
0.00
A

ATOM
208
HH12
ARG
24
26.848
26.443
−9.039
0.00
0.00
A

ATOM
209
NH2
ARG
24
28.796
24.816
−8.655
1.00
60.85
A

ATOM
210
HH21
ARG
24
29.582
24.252
−8.388
0.00
0.00
A

ATOM
211
HH22
ARG
24
28.358
24.615
−9.533
0.00
0.00
A

ATOM
212
C
ARG
24
30.546
23.037
−2.443
1.00
26.16
A

ATOM
213
O
ARG
24
31.670
22.733
−2.839
1.00
31.30
A

ATOM
214
N
ILE
25
29.691
22.157
−1.949
1.00
25.63
A

ATOM
215
H
ILE
25
28.835
22.476
−1.606
0.00
0.00
A

ATOM
216
CA
ILE
25
29.983
20.734
−1.871
1.00
21.72
A

ATOM
217
CB
ILE
25
29.537
20.176
−0.505
1.00
19.56
A

ATOM
218
CG2
ILE
25
29.806
18.703
−0.436
1.00
19.72
A

ATOM
219
CG1
ILE
25
30.247
20.919
0.633
1.00
16.60
A

ATOM
220
CD1
ILE
25
29.763
20.551
2.017
1.00
12.26
A

ATOM
221
C
ILE
25
29.244
19.982
−2.948
1.00
23.33
A

ATOM
222
O
ILE
25
28.020
20.032
−3.021
1.00
27.56
A

ATOM
223
N
PRO
26
29.973
19.294
−3.824
1.00
22.69
A

ATOM
224
CD
PRO
26
31.436
19.182
−3.894
1.00
21.57
A

ATOM
225
CA
PRO
26
29.341
18.532
−4.899
1.00
21.47
A

ATOM
226
CB
PRO
26
30.537
17.947
−5.634
1.00
19.51
A

ATOM
227
CG
PRO
26
31.597
17.884
−4.585
1.00
19.72
A

ATOM
228
C
PRO
26
28.419
17.436
−4.371
1.00
22.68
A

ATOM
229
O
PRO
26
28.799
16.654
−3.493
1.00
23.18
A

ATOM
230
N
TYR
27
27.212
17.380
−4.918
1.00
23.70
A

ATOM
231
H
TYR
27
26.942
18.006
−5.622
0.00
0.00
A

ATOM
232
CA
TYR
27
26.234
16.389
−4.511
1.00
28.60
A

ATOM
233
CB
TYR
27
25.498
16.838
−3.248
1.00
28.88
A

ATOM
234
CG
TYR
27
24.661
15.752
−2.612
1.00
27.13
A

ATOM
235
CD1
TYR
27
25.198
14.498
−2.355
1.00
26.71
A

ATOM
236
CE1
TYR
27
24.435
13.499
−1.763
1.00
27.66
A

ATOM
237
CD2
TYR
27
23.335
15.984
−2.261
1.00
27.81
A

ATOM
238
CE2
TYR
27
22.572
15.001
−1.675
1.00
26.98
A

ATOM
239
CZ
TYR
27
23.126
13.762
−1.431
1.00
26.38
A

ATOM
240
OH
TYR
27
22.359
12.778
−0.870
1.00
29.97
A

ATOM
241
HH
TYR
27
22.924
11.986
−0.837
0.00
0.00
A

ATOM
242
C
TYR
27
25.230
16.193
−5.633
1.00
32.25
A

ATOM
243
O
TYR
27
24.991
17.111
−6.419
1.00
34.35
A

ATOM
244
N
GLU
28
24.655
14.991
−5.699
1.00
36.20
A

ATOM
245
H
GLU
28
24.909
14.307
−5.048
0.00
0.00
A

ATOM
246
CA
GLU
28
23.665
14.635
−6.720
1.00
39.28
A

ATOM
247
CB
GLU
28
23.253
13.167
−6.577
1.00
43.37
A

ATOM
248
CG
GLU
28
22.943
12.777
−5.148
1.00
52.35
A

ATOM
249
CD
GLU
28
22.423
11.366
−5.012
1.00
56.49
A

ATOM
250
OE1
GLU
28
23.233
10.455
−4.723
1.00
59.10
A

ATOM
251
OE2
GLU
28
21.195
11.182
−5.162
1.00
60.26
A

ATOM
252
C
GLU
28
22.428
15.520
−6.699
1.00
37.05
A

ATOM
253
O
GLU
28
21.847
15.794
−7.739
1.00
38.91
A

ATOM
254
N
LYS
29
22.012
15.940
−5.512
1.00
35.07
A

ATOM
255
H
LYS
29
22.514
15.706
−4.712
0.00
0.00
A

ATOM
256
CA
LYS
29
20.850
16.798
−5.390
1.00
33.57
A

ATOM
257
CB
LYS
29
19.709
16.109
−4.628
1.00
32.34
A

ATOM
258
CG
LYS
29
20.034
14.750
−4.034
1.00
33.71
A

ATOM
259
CD
LYS
29
18.798
14.142
−3.401
1.00
35.14
A

ATOM
260
CE
LYS
29
19.076
12.794
−2.721
1.00
37.21
A

ATOM
261
NZ
LYS
29
19.803
12.853
−1.405
1.00
35.28
A

ATOM
262
HZ1
LYS
29
19.243
13.360
−0.686
0.00
0.00
A

ATOM
263
HZ2
LYS
29
20.756
13.263
−1.495
0.00
0.00
A

ATOM
264
HZ3
LYS
29
19.950
11.880
−1.083
0.00
0.00
A

ATOM
265
C
LYS
29
21.279
18.051
−4.669
1.00
32.71
A

ATOM
266
O
LYS
29
22.337
18.075
−4.046
1.00
34.22
A

ATOM
267
N
GLY
30
20.498
19.109
−4.831
1.00
31.32
A

ATOM
268
H
GLY
30
19.709
19.045
−5.406
0.00
0.00
A

ATOM
269
CA
GLY
30
20.783
20.363
−4.161
1.00
31.08
A

ATOM
270
C
GLY
30
19.795
20.554
−3.022
1.00
31.36
A

ATOM
271
O
GLY
30
19.040
19.634
−2.686
1.00
29.34
A

ATOM
272
N
LEU
31
19.796
21.738
−2.417
1.00
31.88
A

ATOM
273
H
LEU
31
20.374
22.455
−2.748
0.00
0.00
A

ATOM
274
CA
LEU
31
18.887
22.024
−1.309
1.00
31.84
A

ATOM
275
CB
LEU
31
19.654
22.473
−0.058
1.00
28.52
A

ATOM
276
CG
LEU
31
20.382
21.387
0.733
1.00
26.61
A

ATOM
277
CD1
LEU
31
21.211
22.013
1.825
1.00
27.45
A

ATOM
278
CD2
LEU
31
19.386
20.411
1.316
1.00
25.77
A

ATOM
279
C
LEU
31
17.895
23.092
−1.696
1.00
32.32
A

ATOM
280
O
LEU
31
18.260
24.069
−2.325
1.00
32.63
A

ATOM
281
N
LEU
32
16.637
22.878
−1.336
1.00
34.40
A

ATOM
282
H
LEU
32
16.420
22.059
−0.890
0.00
0.00
A

ATOM
283
CA
LEU
32
15.570
23.825
−1.607
1.00
38.00
A

ATOM
284
CB
LEU
32
14.248
23.087
−1.589
1.00
34.88
A

ATOM
285
CG
LEU
32
14.111
22.037
−2.671
1.00
36.70
A

ATOM
286
CD1
LEU
32
12.834
21.261
−2.447
1.00
35.96
A

ATOM
287
CD2
LEU
32
14.101
22.716
−4.028
1.00
35.85
A

ATOM
288
C
LEU
32
15.524
24.953
−0.563
1.00
41.28
A

ATOM
289
O
LEU
32
15.417
24.680
0.644
1.00
44.82
A

ATOM
290
N
ALA
33
15.570
26.206
−1.021
1.00
44.52
A

ATOM
291
H
ALA
33
15.670
26.387
−1.982
0.00
0.00
A

ATOM
292
CA
ALA
33
15.514
27.368
−0.126
1.00
49.53
A

ATOM
293
CB
ALA
33
16.752
27.385
0.780
1.00
48.41
A

ATOM
294
C
ALA
33
15.334
28.749
−0.819
1.00
53.33
A

ATOM
295
O
ALA
33
15.605
28.890
−2.016
1.00
54.77
A

ATOM
296
N
HIS
34
14.844
29.740
−0.051
1.00
57.06
A

ATOM
297
H
HIS
34
14.637
29.510
0.867
0.00
0.00
A

ATOM
298
CA
HIS
34
14.634
31.138
−0.500
1.00
57.83
A

ATOM
299
CB
HIS
34
13.932
31.943
0.637
1.00
64.24
A

ATOM
300
CG
HIS
34
13.749
33.430
0.392
1.00
69.95
A

ATOM
301
CD2
HIS
34
14.101
34.501
1.154
1.00
69.48
A

ATOM
302
ND1
HIS
34
12.993
33.945
−0.646
1.00
71.87
A

ATOM
303
HD1
HIS
34
12.569
33.439
−1.370
0.00
0.00
A

ATOM
304
CE1
HIS
34
12.882
35.258
−0.506
1.00
69.84
A

ATOM
305
NE2
HIS
34
13.545
35.619
0.577
1.00
67.82
A

ATOM
306
HE2
HIS
34
13.534
36.537
0.950
0.00
0.00
A

ATOM
307
C
HIS
34
16.040
31.678
−0.791
1.00
56.42
A

ATOM
308
O
HIS
34
16.268
32.262
−1.847
1.00
55.74
A

ATOM
309
N
SER
35
16.970
31.418
0.136
1.00
54.55
A

ATOM
310
H
SER
35
16.736
30.904
0.927
0.00
0.00
A

ATOM
311
CA
SER
35
18.375
31.829
0.043
1.00
51.78
A

ATOM
312
CB
SER
35
18.933
32.091
1.456
1.00
52.98
A

ATOM
313
OG
SER
35
19.009
30.889
2.226
1.00
55.70
A

ATOM
314
HG
SER
35
19.977
30.741
2.190
0.00
0.00
A

ATOM
315
C
SER
35
19.155
30.686
−0.608
1.00
49.09
A

ATOM
316
O
SER
35
18.644
30.005
−1.494
1.00
49.69
A

ATOM
317
N
ASP
36
20.390
30.481
−0.160
1.00
46.76
A

ATOM
318
H
ASP
36
20.844
31.094
0.457
0.00
0.00
A

ATOM
319
CA
ASP
36
21.235
29.397
−0.663
1.00
44.27
A

ATOM
320
CB
ASP
36
22.708
29.820
−0.642
1.00
42.39
A

ATOM
321
CG
ASP
36
23.152
30.316
0.708
1.00
42.09
A

ATOM
322
OD1
ASP
36
24.296
30.809
0.794
1.00
39.99
A

ATOM
323
OD2
ASP
36
22.358
30.220
1.681
1.00
43.02
A

ATOM
324
C
ASP
36
21.022
28.095
0.144
1.00
43.33
A

ATOM
325
O
ASP
36
21.672
27.064
−0.115
1.00
42.20
A

ATOM
326
N
GLY
37
20.130
28.170
1.140
1.00
39.97
A

ATOM
327
H
GLY
37
19.725
29.042
1.292
0.00
0.00
A

ATOM
328
CA
GLY
37
19.795
27.016
1.951
1.00
33.43
A

ATOM
329
C
GLY
37
20.918
26.467
2.785
1.00
30.89
A

ATOM
330
O
GLY
37
20.880
25.310
3.183
1.00
31.66
A

ATOM
331
N
ASP
38
21.898
27.304
3.089
1.00
28.48
A

ATOM
332
H
ASP
38
21.940
28.206
2.701
0.00
0.00
A

ATOM
333
CA
ASP
38
23.017
26.880
3.908
1.00
26.77
A

ATOM
334
CB
ASP
38
24.080
27.972
3.914
1.00
23.84
A

ATOM
335
CG
ASP
38
25.417
27.482
4.399
1.00
25.34
A

ATOM
336
OD1
ASP
38
25.461
26.730
5.386
1.00
29.26
A

ATOM
337
OD2
ASP
38
26.447
27.860
3.813
1.00
27.31
A

ATOM
338
C
ASP
38
22.525
26.581
5.340
1.00
28.01
A

ATOM
339
O
ASP
38
22.431
27.480
6.190
1.00
31.86
A

ATOM
340
N
VAL
39
22.167
25.326
5.590
1.00
25.58
A

ATOM
341
H
VAL
39
22.258
24.728
4.817
0.00
0.00
A

ATOM
342
CA
VAL
39
21.677
24.900
6.896
1.00
24.79
A

ATOM
343
CB
VAL
39
21.448
23.370
6.978
1.00
25.32
A

ATOM
344
CG1
VAL
39
20.265
23.079
7.845
1.00
27.38
A

ATOM
345
CG2
VAL
39
21.255
22.765
5.632
1.00
28.13
A

ATOM
346
C
VAL
39
22.661
25.213
8.007
1.00
25.71
A

ATOM
347
O
VAL
39
22.255
25.600
9.096
1.00
27.96
A

ATOM
348
N
ALA
40
23.950
25.016
7.742
1.00
24.49
A

ATOM
349
H
ALA
40
24.210
24.769
6.830
0.00
0.00
A

ATOM
350
CA
ALA
40
24.980
25.234
8.746
1.00
22.18
A

ATOM
351
CB
ALA
40
26.321
24.731
8.257
1.00
21.72
A

ATOM
352
C
ALA
40
25.095
26.672
9.190
1.00
23.76
A

ATOM
353
O
ALA
40
25.297
26.946
10.374
1.00
27.45
A

ATOM
354
N
LEU
41
24.989
27.606
8.255
1.00
24.01
A

ATOM
355
H
LEU
41
24.854
27.360
7.308
0.00
0.00
A

ATOM
356
CA
LEU
41
25.099
29.002
8.631
1.00
20.69
A

ATOM
357
CB
LEU
41
25.640
29.851
7.503
1.00
19.56
A

ATOM
358
CG
LEU
41
27.034
29.382
7.078
1.00
18.44
A

ATOM
359
CD1
LEU
41
27.557
30.312
6.001
1.00
20.10
A

ATOM
360
CD2
LEU
41
27.992
29.331
8.249
1.00
15.65
A

ATOM
361
C
LEU
41
23.819
29.560
9.202
1.00
22.47
A

ATOM
362
O
LEU
41
23.873
30.490
9.998
1.00
26.20
A

ATOM
363
N
HIS
42
22.668
28.991
8.852
1.00
21.14
A

ATOM
364
H
HIS
42
22.693
28.255
8.204
0.00
0.00
A

ATOM
365
CA
HIS
42
21.429
29.478
9.451
1.00
20.57
A

ATOM
366
CB
HIS
42
20.193
28.913
8.784
1.00
21.77
A

ATOM
367
CG
HIS
42
20.006
29.373
7.375
1.00
22.31
A

ATOM
368
CD2
HIS
42
20.731
30.237
6.625
1.00
21.65
A

ATOM
369
ND1
HIS
42
18.987
28.907
6.563
1.00
26.77
A

ATOM
370
CE1
HIS
42
19.107
29.471
5.370
1.00
26.31
A

ATOM
371
NE2
HIS
42
20.154
30.278
5.384
1.00
22.99
A

ATOM
372
HE2
HIS
42
20.529
30.829
4.642
0.00
0.00
A

ATOM
373
C
HIS
42
21.436
29.052
10.899
1.00
22.19
A

ATOM
374
O
HIS
42
21.239
29.873
11.788
1.00
28.19
A

ATOM
375
N
ALA
43
21.711
27.782
11.153
1.00
20.32
A

ATOM
376
H
ALA
43
21.896
27.142
10.431
0.00
0.00
A

ATOM
377
CA
ALA
43
21.742
27.314
12.526
1.00
18.61
A

ATOM
378
CB
ALA
43
22.053
25.868
12.577
1.00
16.89
A

ATOM
379
C
ALA
43
22.750
28.114
13.326
1.00
20.49
A

ATOM
380
O
ALA
43
22.470
28.493
14.456
1.00
23.34
A

ATOM
381
N
LEU
44
23.901
28.430
12.737
1.00
21.44
A

ATOM
382
H
LEU
44
24.096
28.116
11.829
0.00
0.00
A

ATOM
383
CA
LEU
44
24.900
29.217
13.466
1.00
21.39
A

ATOM
384
CB
LEU
44
26.236
29.266
12.714
1.00
16.46
A

ATOM
385
CG
LEU
44
27.344
30.116
13.356
1.00
15.17
A

ATOM
386
CD1
LEU
44
27.687
29.617
14.746
1.00
13.86
A

ATOM
387
CD2
LEU
44
28.586
30.102
12.487
1.00
13.77
A

ATOM
388
C
LEU
44
24.392
30.635
13.769
1.00
22.26
A

ATOM
389
O
LEU
44
24.501
31.109
14.900
1.00
25.46
A

ATOM
390
N
THR
45
23.816
31.290
12.766
1.00
22.17
A

ATOM
391
H
THR
45
23.740
30.874
11.883
0.00
0.00
A

ATOM
392
CA
THR
45
23.274
32.642
12.894
1.00
20.03
A

ATOM
393
CB
THR
45
22.585
33.043
11.588
1.00
19.37
A

ATOM
394
OG1
THR
45
23.523
32.913
10.513
1.00
17.42
A

ATOM
395
HG1
THR
45
24.283
33.476
10.667
0.00
0.00
A

ATOM
396
CG2
THR
45
22.073
34.474
11.644
1.00
19.20
A

ATOM
397
C
THR
45
22.279
32.729
14.047
1.00
21.34
A

ATOM
398
O
THR
45
22.336
33.644
14.874
1.00
24.76
A

ATOM
399
N
ASP
46
21.375
31.765
14.106
1.00
21.29
A

ATOM
400
H
ASP
46
21.340
31.077
13.405
0.00
0.00
A

ATOM
401
CA
ASP
46
20.377
31.693
15.155
1.00
18.92
A

ATOM
402
CB
ASP
46
19.464
30.522
14.884
1.00
22.50
A

ATOM
403
CG
ASP
46
18.232
30.904
14.098
1.00
26.66
A

ATOM
404
OD1
ASP
46
17.385
30.008
13.891
1.00
33.07
A

ATOM
405
OD2
ASP
46
18.090
32.079
13.706
1.00
24.13
A

ATOM
406
C
ASP
46
20.995
31.490
16.522
1.00
20.20
A

ATOM
407
O
ASP
46
20.480
31.969
17.523
1.00
23.20
A

ATOM
408
N
ALA
47
22.051
30.696
16.581
1.00
20.43
A

ATOM
409
H
ALA
47
22.363
30.272
15.752
0.00
0.00
A

ATOM
410
CA
ALA
47
22.716
30.438
17.838
1.00
20.61
A

ATOM
411
CB
ALA
47
23.804
29.418
17.653
1.00
19.05
A

ATOM
412
C
ALA
47
23.292
31.735
18.364
1.00
22.32
A

ATOM
413
O
ALA
47
23.140
32.056
19.542
1.00
24.28
A

ATOM
414
N
LEU
48
23.931
32.493
17.477
1.00
23.95
A

ATOM
415
H
LEU
48
23.999
32.168
16.552
0.00
0.00
A

ATOM
416
CA
LEU
48
24.543
33.779
17.832
1.00
22.88
A

ATOM
417
CB
LEU
48
25.428
34.274
16.695
1.00
20.45
A

ATOM
418
CG
LEU
48
26.730
33.520
16.431
1.00
18.88
A

ATOM
419
CD1
LEU
48
27.177
33.781
15.009
1.00
17.97
A

ATOM
420
CD2
LEU
48
27.802
33.937
17.430
1.00
17.44
A

ATOM
421
C
LEU
48
23.488
34.832
18.180
1.00
23.71
A

ATOM
422
O
LEU
48
23.648
35.572
19.145
1.00
26.73
A

ATOM
423
N
LEU
49
22.417
34.913
17.396
1.00
23.40
A

ATOM
424
H
LEU
49
22.342
34.328
16.619
0.00
0.00
A

ATOM
425
CA
LEU
49
21.348
35.867
17.688
1.00
23.03
A

ATOM
426
CB
LEU
49
20.299
35.894
16.572
1.00
21.42
A

ATOM
427
CG
LEU
49
20.700
36.524
15.236
1.00
20.49
A

ATOM
428
CD1
LEU
49
19.612
36.323
14.193
1.00
17.56
A

ATOM
429
CD2
LEU
49
21.002
37.989
15.452
1.00
18.19
A

ATOM
430
C
LEU
49
20.687
35.451
18.998
1.00
23.97
A

ATOM
431
O
LEU
49
20.289
36.297
19.781
1.00
26.87
A

ATOM
432
N
GLY
50
20.567
34.146
19.224
1.00
23.94
A

ATOM
433
H
GLY
50
20.863
33.510
18.546
0.00
0.00
A

ATOM
434
CA
GLY
50
19.983
33.642
20.451
1.00
23.85
A

ATOM
435
C
GLY
50
20.790
34.054
21.675
1.00
25.64
A

ATOM
436
O
GLY
50
20.238
34.558
22.644
1.00
27.76
A

ATOM
437
N
ALA
51
22.104
33.872
21.631
1.00
25.76
A

ATOM
438
H
ALA
51
22.501
33.442
20.844
0.00
0.00
A

ATOM
439
CA
ALA
51
22.947
34.252
22.744
1.00
23.85
A

ATOM
440
CB
ALA
51
24.353
33.840
22.482
1.00
22.01
A

ATOM
441
C
ALA
51
22.879
35.752
22.997
1.00
25.21
A

ATOM
442
O
ALA
51
23.068
36.200
24.121
1.00
27.10
A

ATOM
443
N
ALA
52
22.601
36.526
21.954
1.00
25.94
A

ATOM
444
H
ALA
52
22.485
36.107
21.075
0.00
0.00
A

ATOM
445
CA
ALA
52
22.504
37.983
22.062
1.00
24.97
A

ATOM
446
CB
ALA
52
22.943
38.620
20.756
1.00
24.28
A

ATOM
447
C
ALA
52
21.107
38.473
22.411
1.00
25.16
A

ATOM
448
O
ALA
52
20.900
39.654
22.653
1.00
28.72
A

ATOM
449
N
ALA
53
20.144
37.569
22.431
1.00
25.64
A

ATOM
450
H
ALA
53
20.360
36.630
22.240
0.00
0.00
A

ATOM
451
CA
ALA
53
18.748
37.911
22.703
1.00
24.66
A

ATOM
452
CB
ALA
53
18.594
38.562
24.058
1.00
23.36
A

ATOM
453
C
ALA
53
18.223
38.821
21.600
1.00
25.17
A

ATOM
454
O
ALA
53
17.555
39.811
21.863
1.00
27.13
A

ATOM
455
N
LEU
54
18.554
38.484
20.358
1.00
24.41
A

ATOM
456
H
LEU
54
19.108
37.691
20.225
0.00
0.00
A

ATOM
457
CA
LEU
54
18.112
39.246
19.207
1.00
22.45
A

ATOM
458
CB
LEU
54
19.295
39.670
18.337
1.00
22.92
A

ATOM
459
CG
LEU
54
20.242
40.686
18.987
1.00
22.92
A

ATOM
460
CD1
LEU
54
21.369
41.074
18.050
1.00
21.18
A

ATOM
461
CD2
LEU
54
19.454
41.903
19.361
1.00
21.98
A

ATOM
462
C
LEU
54
17.079
38.467
18.407
1.00
22.88
A

ATOM
463
O
LEU
54
16.621
38.908
17.360
1.00
25.22
A

ATOM
464
N
GLY
55
16.694
37.311
18.913
1.00
23.76
A

ATOM
465
H
GLY
55
17.073
36.956
19.748
0.00
0.00
A

ATOM
466
CA
GLY
55
15.671
36.543
18.250
1.00
24.33
A

ATOM
467
C
GLY
55
16.143
35.443
17.356
1.00
25.99
A

ATOM
468
O
GLY
55
16.688
34.442
17.817
1.00
25.55
A

ATOM
469
N
ASP
56
15.838
35.597
16.078
1.00
28.38
A

ATOM
470
H
ASP
56
15.333
36.363
15.748
0.00
0.00
A

ATOM
471
CA
ASP
56
16.220
34.613
15.102
1.00
30.81
A

ATOM
472
CB
ASP
56
15.292
33.385
15.148
1.00
31.74
A

ATOM
473
CG
ASP
56
13.875
33.667
14.670
1.00
31.78
A

ATOM
474
OD1
ASP
56
13.713
34.197
13.557
1.00
34.32
A

ATOM
475
OD2
ASP
56
12.911
33.296
15.380
1.00
32.34
A

ATOM
476
C
ASP
56
16.335
35.199
13.710
1.00
31.76
A

ATOM
477
O
ASP
56
15.874
36.303
13.430
1.00
31.09
A

ATOM
478
N
ILE
57
16.965
34.430
12.843
1.00
34.20
A

ATOM
479
H
ILE
57
17.187
33.546
13.158
0.00
0.00
A

ATOM
480
CA
ILE
57
17.233
34.803
11.476
1.00
35.42
A

ATOM
481
CB
ILE
57
17.963
33.622
10.755
1.00
35.12
A

ATOM
482
CG2
ILE
57
16.986
32.640
10.105
1.00
37.00
A

ATOM
483
CG1
ILE
57
18.942
34.147
9.727
1.00
37.20
A

ATOM
484
CD1
ILE
57
19.606
33.031
8.952
1.00
40.93
A

ATOM
485
C
ILE
57
15.982
35.298
10.750
1.00
36.47
A

ATOM
486
O
ILE
57
16.006
36.358
10.135
1.00
36.23
A

ATOM
487
N
GLY
58
14.864
34.605
10.926
1.00
38.21
A

ATOM
488
H
GLY
58
14.836
33.854
11.564
0.00
0.00
A

ATOM
489
CA
GLY
58
13.635
35.003
10.261
1.00
42.21
A

ATOM
490
C
GLY
58
13.031
36.290
10.788
1.00
45.59
A

ATOM
491
O
GLY
58
12.176
36.890
10.151
1.00
47.75
A

ATOM
492
N
LYS
59
13.423
36.689
11.986
1.00
49.06
A

ATOM
493
H
LYS
59
14.018
36.109
12.514
0.00
0.00
A

ATOM
494
CA
LYS
59
12.918
37.925
12.566
1.00
51.57
A

ATOM
495
CB
LYS
59
13.152
37.948
14.088
1.00
53.55
A

ATOM
496
CG
LYS
59
12.690
39.211
14.796
1.00
53.06
A

ATOM
497
CD
LYS
59
13.472
39.407
16.077
1.00
56.45
A

ATOM
498
CE
LYS
59
13.760
40.894
16.336
1.00
60.73
A

ATOM
499
NZ
LYS
59
14.826
41.136
17.375
1.00
62.05
A

ATOM
500
HZ1
LYS
59
15.040
42.145
17.475
0.00
0.00
A

ATOM
501
HZ2
LYS
59
15.684
40.607
17.081
0.00
0.00
A

ATOM
502
HZ3
LYS
59
14.520
40.746
18.286
0.00
0.00
A

ATOM
503
C
LYS
59
13.674
39.067
11.910
1.00
52.54
A

ATOM
504
O
LYS
59
13.096
40.107
11.615
1.00
54.27
A

ATOM
505
N
LEU
60
14.967
38.865
11.684
1.00
52.98
A

ATOM
506
H
LEU
60
15.353
37.998
11.933
0.00
0.00
A

ATOM
507
CA
LEU
60
15.806
39.884
11.066
1.00
54.86
A

ATOM
508
CB
LEU
60
17.257
39.726
11.520
1.00
53.32
A

ATOM
509
CG
LEU
60
17.731
40.224
12.883
1.00
51.24
A

ATOM
510
CD1
LEU
60
17.046
39.493
14.019
1.00
50.08
A

ATOM
511
CD2
LEU
60
19.236
40.025
12.938
1.00
50.89
A

ATOM
512
C
LEU
60
15.768
39.917
9.528
1.00
57.16
A

ATOM
513
O
LEU
60
15.846
40.993
8.928
1.00
58.73
A

ATOM
514
N
PHE
61
15.679
38.750
8.895
1.00
58.80
A

ATOM
515
H
PHE
61
15.584
37.937
9.412
0.00
0.00
A

ATOM
516
CA
PHE
61
15.668
38.666
7.438
1.00
60.35
A

ATOM
517
CB
PHE
61
17.030
38.151
6.924
1.00
58.13
A

ATOM
518
CG
PHE
61
18.221
38.605
7.749
1.00
57.06
A

ATOM
519
CD1
PHE
61
18.679
39.912
7.685
1.00
55.58
A

ATOM
520
CD2
PHE
61
18.862
37.720
8.618
1.00
58.01
A

ATOM
521
CE1
PHE
61
19.750
40.334
8.475
1.00
55.66
A

ATOM
522
CE2
PHE
61
19.937
38.135
9.413
1.00
57.33
A

ATOM
523
CZ
PHE
61
20.378
39.444
9.341
1.00
56.88
A

ATOM
524
C
PHE
61
14.530
37.742
6.959
1.00
64.27
A

ATOM
525
O
PHE
61
14.750
36.557
6.687
1.00
65.95
A

ATOM
526
N
PRO
62
13.305
38.288
6.829
1.00
67.25
A

ATOM
527
CD
PRO
62
13.009
39.673
7.237
1.00
67.03
A

ATOM
528
CA
PRO
62
12.068
37.620
6.397
1.00
71.85
A

ATOM
529
CB
PRO
62
11.071
38.772
6.361
1.00
68.59
A

ATOM
530
CG
PRO
62
11.526
39.627
7.474
1.00
66.39
A

ATOM
531
C
PRO
62
12.044
36.839
5.068
1.00
78.05
A

ATOM
532
O
PRO
62
12.469
37.347
4.020
1.00
78.31
A

ATOM
533
N
ASP
63
11.462
35.633
5.122
1.00
84.71
A

ATOM
534
H
ASP
63
11.182
35.267
5.987
0.00
0.00
A

ATOM
535
CA
ASP
63
11.301
34.738
3.957
1.00
89.77
A

ATOM
536
CB
ASP
63
10.471
33.473
4.326
1.00
92.49
A

ATOM
537
CG
ASP
63
11.285
32.395
5.081
1.00
95.12
A

ATOM
538
OD1
ASP
63
11.934
32.738
6.099
1.00
97.45
A

ATOM
539
OD2
ASP
63
11.246
31.190
4.680
1.00
94.38
A

ATOM
540
C
ASP
63
10.539
35.500
2.875
1.00
91.43
A

ATOM
541
O
ASP
63
10.725
35.276
1.671
1.00
91.10
A

ATOM
542
N
THR
64
9.673
36.395
3.341
1.00
94.04
A

ATOM
543
H
THR
64
9.593
36.503
4.307
0.00
0.00
A

ATOM
544
CA
THR
64
8.826
37.226
2.494
1.00
97.27
A

ATOM
545
CB
THR
64
7.710
37.903
3.335
1.00
98.91
A

ATOM
546
OG1
THR
64
8.299
38.787
4.305
1.00
100.00
A

ATOM
547
HG1
THR
64
8.633
39.577
3.860
0.00
0.00
A

ATOM
548
CG2
THR
64
6.867
36.843
4.061
1.00
99.40
A

ATOM
549
C
THR
64
9.577
38.307
1.707
1.00
97.49
A

ATOM
550
O
THR
64
9.227
38.592
0.555
1.00
98.15
A

ATOM
551
N
ASP
65
10.578
38.931
2.332
1.00
97.20
A

ATOM
552
H
ASP
65
10.860
38.658
3.226
0.00
0.00
A

ATOM
553
CA
ASP
65
11.341
39.976
1.659
1.00
96.71
A

ATOM
554
CB
ASP
65
12.296
40.670
2.633
1.00
95.97
A

ATOM
555
CG
ASP
65
12.826
42.003
2.103
1.00
95.73
A

ATOM
556
OD1
ASP
65
13.415
42.028
0.995
1.00
96.11
A

ATOM
557
OD2
ASP
65
12.666
43.028
2.805
1.00
93.74
A

ATOM
558
C
ASP
65
12.092
39.336
0.490
1.00
97.06
A

ATOM
559
O
ASP
65
12.887
38.396
0.673
1.00
95.96
A

ATOM
560
N
PRO
66
11.799
39.806
−0.740
1.00
98.07
A

ATOM
561
CD
PRO
66
10.875
40.938
−0.956
1.00
98.21
A

ATOM
562
CA
PRO
66
12.368
39.360
−2.019
1.00
98.46
A

ATOM
563
CB
PRO
66
11.636
40.237
−3.043
1.00
98.33
A

ATOM
564
CG
PRO
66
11.351
41.494
−2.273
1.00
98.69
A

ATOM
565
C
PRO
66
13.893
39.452
−2.164
1.00
98.62
A

ATOM
566
O
PRO
66
14.498
38.630
−2.864
1.00
99.36
A

ATOM
567
N
ALA
67
14.514
40.426
−1.499
1.00
97.55
A

ATOM
568
H
ALA
67
13.999
41.045
−0.923
0.00
0.00
A

ATOM
569
CA
ALA
67
15.970
40.597
−1.565
1.00
96.25
A

ATOM
570
CB
ALA
67
16.379
41.833
−0.770
1.00
97.33
A

ATOM
571
C
ALA
67
16.707
39.354
−1.032
1.00
94.65
A

ATOM
572
O
ALA
67
17.761
38.947
−1.548
1.00
94.11
A

ATOM
573
N
PHE
68
16.111
38.740
−0.016
1.00
91.87
A

ATOM
574
H
PHE
68
15.268
39.115
0.326
0.00
0.00
A

ATOM
575
CA
PHE
68
16.668
37.558
0.617
1.00
88.29
A

ATOM
576
CB
PHE
68
15.984
37.329
1.966
1.00
87.89
A

ATOM
577
CG
PHE
68
15.927
38.560
2.818
1.00
86.68
A

ATOM
578
CD1
PHE
68
14.826
38.816
3.619
1.00
85.84
A

ATOM
579
CD2
PHE
68
16.971
39.487
2.795
1.00
85.68
A

ATOM
580
CE1
PHE
68
14.759
39.982
4.389
1.00
85.57
A

ATOM
581
CE2
PHE
68
16.913
40.652
3.558
1.00
85.54
A

ATOM
582
CZ
PHE
68
15.802
40.901
4.358
1.00
85.10
A

ATOM
583
C
PHE
68
16.537
36.331
−0.266
1.00
86.14
A

ATOM
584
O
PHE
68
16.925
35.235
0.131
1.00
86.02
A

ATOM
585
N
LYS
69
15.967
36.498
−1.450
1.00
84.09
A

ATOM
586
H
LYS
69
15.702
37.375
−1.796
0.00
0.00
A

ATOM
587
CA
LYS
69
15.827
35.371
−2.346
1.00
83.53
A

ATOM
588
CB
LYS
69
14.643
35.559
−3.291
1.00
87.26
A

ATOM
589
CG
LYS
69
14.321
34.311
−4.109
1.00
92.41
A

ATOM
590
CD
LYS
69
14.616
34.539
−5.590
1.00
96.71
A

ATOM
591
CE
LYS
69
14.581
33.245
−6.399
1.00
98.06
A

ATOM
592
NZ
LYS
69
14.634
33.543
−7.865
1.00
99.07
A

ATOM
593
HZ1
LYS
69
14.677
32.663
−8.416
0.00
0.00
A

ATOM
594
HZ2
LYS
69
15.447
34.151
−8.089
0.00
0.00
A

ATOM
595
HZ3
LYS
69
13.758
34.050
−8.116
0.00
0.00
A

ATOM
596
C
LYS
69
17.125
35.194
−3.121
1.00
80.98
A

ATOM
597
O
LYS
69
17.567
36.099
−3.836
1.00
80.62
A

ATOM
598
N
GLY
70
17.744
34.032
−2.919
1.00
77.88
A

ATOM
599
H
GLY
70
17.436
33.429
−2.251
0.00
0.00
A

ATOM
600
CA
GLY
70
18.996
33.679
−3.560
1.00
72.80
A

ATOM
601
C
GLY
70
20.137
34.143
−2.677
1.00
69.22
A

ATOM
602
O
GLY
70
21.296
33.790
−2.914
1.00
69.66
A

ATOM
603
N
ALA
71
19.784
34.878
−1.620
1.00
65.24
A

ATOM
604
H
ALA
71
18.838
35.043
−1.452
0.00
0.00
A

ATOM
605
CA
ALA
71
20.739
35.454
−0.673
1.00
60.96
A

ATOM
606
CB
ALA
71
20.009
36.114
0.516
1.00
59.52
A

ATOM
607
C
ALA
71
21.841
34.530
−0.167
1.00
57.14
A

ATOM
608
O
ALA
71
21.619
33.340
0.115
1.00
57.38
A

ATOM
609
N
ASP
72
23.023
35.122
−0.051
1.00
50.55
A

ATOM
610
H
ASP
72
23.135
36.078
−0.262
0.00
0.00
A

ATOM
611
CA
ASP
72
24.221
34.464
0.419
1.00
43.22
A

ATOM
612
CB
ASP
72
25.404
35.272
−0.112
1.00
41.03
A

ATOM
613
CG
ASP
72
26.706
34.903
0.508
1.00
41.59
A

ATOM
614
OD1
ASP
72
26.821
34.989
1.735
1.00
49.23
A

ATOM
615
OD2
ASP
72
27.665
34.612
−0.227
1.00
40.90
A

ATOM
616
C
ASP
72
24.114
34.451
1.954
1.00
40.72
A

ATOM
617
O
ASP
72
24.020
35.504
2.598
1.00
41.10
A

ATOM
618
N
SER
73
24.044
33.252
2.530
1.00
35.47
A

ATOM
619
H
SER
73
24.070
32.455
1.949
0.00
0.00
A

ATOM
620
CA
SER
73
23.925
33.093
3.971
1.00
30.80
A

ATOM
621
CB
SER
73
23.717
31.621
4.343
1.00
30.50
A

ATOM
622
OG
SER
73
22.423
31.152
3.985
1.00
28.11
A

ATOM
623
HG
SER
73
22.736
30.385
3.477
0.00
0.00
A

ATOM
624
C
SER
73
25.073
33.694
4.786
1.00
29.61
A

ATOM
625
O
SER
73
24.922
33.926
5.996
1.00
31.63
A

ATOM
626
N
ARG
74
26.222
33.918
4.153
1.00
27.17
A

ATOM
627
H
ARG
74
26.306
33.699
3.196
0.00
0.00
A

ATOM
628
CA
ARG
74
27.359
34.522
4.841
1.00
26.85
A

ATOM
629
CB
ARG
74
28.659
34.311
4.081
1.00
24.22
A

ATOM
630
CG
ARG
74
29.158
32.881
4.132
1.00
24.79
A

ATOM
631
CD
ARG
74
30.501
32.732
3.436
1.00
24.19
A

ATOM
632
NE
ARG
74
31.567
33.450
4.128
1.00
29.00
A

ATOM
633
HE
ARG
74
31.382
33.722
5.052
0.00
0.00
A

ATOM
634
CZ
ARG
74
32.763
33.737
3.609
1.00
28.34
A

ATOM
635
NH1
ARG
74
33.664
34.392
4.337
1.00
28.98
A

ATOM
636
HH11
ARG
74
33.415
34.664
5.283
0.00
0.00
A

ATOM
637
HH12
ARG
74
34.616
34.645
4.071
0.00
0.00
A

ATOM
638
NH2
ARG
74
33.058
33.384
2.366
1.00
24.91
A

ATOM
639
HH21
ARG
74
32.393
32.892
1.797
0.00
0.00
A

ATOM
640
HH22
ARG
74
33.967
33.587
1.988
0.00
0.00
A

ATOM
641
C
ARG
74
27.083
35.998
5.008
1.00
27.70
A

ATOM
642
O
ARG
74
27.556
36.615
5.953
1.00
29.27
A

ATOM
643
N
GLU
75
26.305
36.569
4.099
1.00
29.93
A

ATOM
644
H
GLU
75
25.984
36.056
3.315
0.00
0.00
A

ATOM
645
CA
GLU
75
25.943
37.974
4.206
1.00
34.71
A

ATOM
646
CB
GLU
75
25.139
38.436
3.004
1.00
40.39
A

ATOM
647
CG
GLU
75
25.920
38.582
1.725
1.00
51.93
A

ATOM
648
CD
GLU
75
25.062
39.173
0.612
1.00
59.24
A

ATOM
649
OE1
GLU
75
25.127
40.411
0.418
1.00
63.80
A

ATOM
650
OE2
GLU
75
24.305
38.411
−0.048
1.00
61.97
A

ATOM
651
C
GLU
75
25.080
38.123
5.447
1.00
33.71
A

ATOM
652
O
GLU
75
25.310
39.001
6.272
1.00
34.50
A

ATOM
653
N
LEU
76
24.076
37.263
5.566
1.00
32.65
A

ATOM
654
H
LEU
76
23.946
36.620
4.835
0.00
0.00
A

ATOM
655
CA
LEU
76
23.184
37.275
6.718
1.00
30.01
A

ATOM
656
CB
LEU
76
22.111
36.214
6.558
1.00
31.68
A

ATOM
657
CG
LEU
76
21.278
36.476
5.306
1.00
34.28
A

ATOM
658
CD1
LEU
76
20.375
35.301
5.034
1.00
36.19
A

ATOM
659
CD2
LEU
76
20.473
37.761
5.480
1.00
33.07
A

ATOM
660
C
LEU
76
23.980
37.005
7.972
1.00
29.19
A

ATOM
661
O
LEU
76
23.727
37.613
9.005
1.00
30.32
A

ATOM
662
N
LEU
77
24.942
36.094
7.884
1.00
26.48
A

ATOM
663
H
LEU
77
25.088
35.603
7.050
0.00
0.00
A

ATOM
664
CA
LEU
77
25.768
35.786
9.033
1.00
26.35
A

ATOM
665
CB
LEU
77
26.741
34.655
8.719
1.00
24.86
A

ATOM
666
CG
LEU
77
27.776
34.373
9.809
1.00
24.21
A

ATOM
667
CD1
LEU
77
27.080
34.006
11.100
1.00
22.81
A

ATOM
668
CD2
LEU
77
28.699
33.257
9.358
1.00
22.96
A

ATOM
669
C
LEU
77
26.530
37.022
9.491
1.00
28.22
A

ATOM
670
O
LEU
77
26.507
37.371
10.674
1.00
30.70
A

ATOM
671
N
ARG
78
27.180
37.704
8.556
1.00
29.03
A

ATOM
672
H
ARG
78
27.157
37.389
7.632
0.00
0.00
A

ATOM
673
CA
ARG
78
27.952
38.899
8.889
1.00
30.08
A

ATOM
674
CB
ARG
78
28.786
39.341
7.694
1.00
28.69
A

ATOM
675
CG
ARG
78
29.811
38.342
7.266
1.00
29.53
A

ATOM
676
CD
ARG
78
30.625
38.883
6.107
1.00
32.27
A

ATOM
677
NE
ARG
78
30.673
37.930
5.002
1.00
37.71
A

ATOM
678
HE
ARG
78
31.177
37.102
5.227
0.00
0.00
A

ATOM
679
CZ
ARG
78
30.057
38.116
3.843
1.00
36.77
A

ATOM
680
NH1
ARG
78
30.135
37.196
2.879
1.00
40.40
A

ATOM
681
HH11
ARG
78
30.628
36.343
3.056
0.00
0.00
A

ATOM
682
HH12
ARG
78
29.646
37.265
1.998
0.00
0.00
A

ATOM
683
NH2
ARG
78
29.368
39.236
3.654
1.00
39.81
A

ATOM
684
HH21
ARG
78
29.313
39.916
4.388
0.00
0.00
A

ATOM
685
HH22
ARG
78
28.853
39.425
2.810
0.00
0.00
A

ATOM
686
C
ARG
78
27.124
40.078
9.422
1.00
30.55
A

ATOM
687
O
ARG
78
27.597
40.828
10.279
1.00
32.08
A

ATOM
688
N
GLU
79
25.915
40.251
8.892
1.00
30.50
A

ATOM
689
H
GLU
79
25.625
39.654
8.170
0.00
0.00
A

ATOM
690
CA
GLU
79
24.997
41.308
9.314
1.00
31.51
A

ATOM
691
CB
GLU
79
23.809
41.371
8.357
1.00
31.48
A

ATOM
692
CG
GLU
79
22.676
42.293
8.790
1.00
38.50
A

ATOM
693
CD
GLU
79
23.081
43.758
8.952
1.00
41.47
A

ATOM
694
OE1
GLU
79
24.278
44.120
8.855
1.00
42.30
A

ATOM
695
OE2
GLU
79
22.170
44.570
9.195
1.00
44.86
A

ATOM
696
C
GLU
79
24.511
41.055
10.744
1.00
32.98
A

ATOM
697
O
GLU
79
24.546
41.945
11.606
1.00
35.69
A

ATOM
698
N
ALA
80
24.045
39.835
10.987
1.00
32.61
A

ATOM
699
H
ALA
80
23.999
39.195
10.245
0.00
0.00
A

ATOM
700
CA
ALA
80
23.593
39.436
12.302
1.00
29.35
A

ATOM
701
CB
ALA
80
23.200
37.992
12.282
1.00
29.90
A

ATOM
702
C
ALA
80
24.759
39.645
13.251
1.00
28.52
A

ATOM
703
O
ALA
80
24.584
40.122
14.364
1.00
30.69
A

ATOM
704
N
TRP
81
25.964
39.339
12.791
1.00
27.54
A

ATOM
705
H
TRP
81
26.062
38.968
11.889
0.00
0.00
A

ATOM
706
CA
TRP
81
27.145
39.509
13.628
1.00
27.55
A

ATOM
707
CB
TRP
81
28.354
38.824
12.992
1.00
23.66
A

ATOM
708
CG
TRP
81
29.589
38.895
13.817
1.00
21.43
A

ATOM
709
CD2
TRP
81
29.732
38.529
15.201
1.00
21.82
A

ATOM
710
CE2
TRP
81
31.057
38.827
15.577
1.00
19.80
A

ATOM
711
CE3
TRP
81
28.864
37.987
16.162
1.00
23.43
A

ATOM
712
CD1
TRP
81
30.793
39.369
13.424
1.00
19.21
A

ATOM
713
NE1
TRP
81
31.686
39.337
14.473
1.00
20.15
A

ATOM
714
HE1
TRP
81
32.634
39.598
14.442
0.00
0.00
A

ATOM
715
CZ2
TRP
81
31.538
38.607
16.867
1.00
19.88
A

ATOM
716
CZ3
TRP
81
29.341
37.767
17.442
1.00
21.26
A

ATOM
717
CH2
TRP
81
30.667
38.079
17.783
1.00
22.83
A

ATOM
718
C
TRP
81
27.424
40.992
13.871
1.00
30.66
A

ATOM
719
O
TRP
81
27.822
41.392
14.964
1.00
32.92
A

ATOM
720
N
ARG
82
27.196
41.815
12.860
1.00
33.90
A

ATOM
721
H
ARG
82
26.883
41.461
12.001
0.00
0.00
A

ATOM
722
CA
ARG
82
27.419
43.240
13.006
1.00
36.25
A

ATOM
723
CB
ARG
82
27.073
43.982
11.724
1.00
38.07
A

ATOM
724
CG
ARG
82
27.250
45.488
11.849
1.00
46.41
A

ATOM
725
CD
ARG
82
26.746
46.253
10.610
1.00
51.17
A

ATOM
726
NE
ARG
82
25.299
46.145
10.417
1.00
52.84
A

ATOM
727
HE
ARG
82
25.026
45.622
9.630
0.00
0.00
A

ATOM
728
CZ
ARG
82
24.391
46.704
11.209
1.00
51.83
A

ATOM
729
NH1
ARG
82
23.103
46.537
10.948
1.00
53.02
A

ATOM
730
HH11
ARG
82
22.876
45.966
10.134
0.00
0.00
A

ATOM
731
HH12
ARG
82
22.347
46.916
11.473
0.00
0.00
A

ATOM
732
NH2
ARG
82
24.775
47.430
12.256
1.00
51.39
A

ATOM
733
HH21
ARG
82
25.754
47.546
12.440
0.00
0.00
A

ATOM
734
HH22
ARG
82
24.130
47.871
12.881
0.00
0.00
A

ATOM
735
C
ARG
82
26.524
43.744
14.116
1.00
37.68
A

ATOM
736
O
ARG
82
26.991
44.380
15.062
1.00
38.74
A

ATOM
737
N
ARG
83
25.237
43.438
13.996
1.00
38.30
A

ATOM
738
H
ARG
83
24.967
42.895
13.224
0.00
0.00
A

ATOM
739
CA
ARG
83
24.240
43.855
14.974
1.00
39.69
A

ATOM
740
CB
ARG
83
22.855
43.416
14.524
1.00
39.56
A

ATOM
741
CG
ARG
83
22.560
43.792
13.112
1.00
42.74
A

ATOM
742
CD
ARG
83
21.087
43.856
12.886
1.00
48.69
A

ATOM
743
NE
ARG
83
20.815
43.962
11.463
1.00
55.50
A

ATOM
744
HE
ARG
83
21.615
44.053
10.904
0.00
0.00
A

ATOM
745
CZ
ARG
83
19.608
43.863
10.910
1.00
59.49
A

ATOM
746
NH1
ARG
83
19.477
43.965
9.587
1.00
62.56
A

ATOM
747
HH11
ARG
83
20.332
44.106
9.051
0.00
0.00
A

ATOM
748
HH12
ARG
83
18.621
43.893
9.074
0.00
0.00
A

ATOM
749
NH2
ARG
83
18.536
43.663
11.674
1.00
61.55
A

ATOM
750
HH21
ARG
83
18.637
43.583
12.667
0.00
0.00
A

ATOM
751
HH22
ARG
83
17.612
43.574
11.291
0.00
0.00
A

ATOM
752
C
ARG
83
24.514
43.329
16.381
1.00
40.72
A

ATOM
753
O
ARG
83
24.254
44.023
17.374
1.00
43.07
A

ATOM
754
N
ILE
84
25.028
42.103
16.463
1.00
39.42
A

ATOM
755
H
ILE
84
25.181
41.597
15.638
0.00
0.00
A

ATOM
756
CA
ILE
84
25.340
41.482
17.745
1.00
36.11
A

ATOM
757
CB
ILE
84
25.723
39.984
17.560
1.00
35.31
A

ATOM
758
CG2
ILE
84
26.336
39.421
18.829
1.00
31.56
A

ATOM
759
CG1
ILE
84
24.486
39.174
17.148
1.00
33.07
A

ATOM
760
CD1
ILE
84
24.805
37.806
16.667
1.00
29.11
A

ATOM
761
C
ILE
84
26.468
42.244
18.416
1.00
34.96
A

ATOM
762
O
ILE
84
26.383
42.588
19.587
1.00
35.82
A

ATOM
763
N
GLN
85
27.512
42.530
17.658
1.00
34.93
A

ATOM
764
H
GLN
85
27.516
42.242
16.721
0.00
0.00
A

ATOM
765
CA
GLN
85
28.649
43.259
18.183
1.00
37.08
A

ATOM
766
CB
GLN
85
29.717
43.377
17.122
1.00
37.99
A

ATOM
767
CG
GLN
85
30.289
42.067
16.714
1.00
44.09
A

ATOM
768
CD
GLN
85
31.515
42.230
15.847
1.00
48.13
A

ATOM
769
OE1
GLN
85
32.650
42.199
16.337
1.00
50.17
A

ATOM
770
NE2
GLN
85
31.299
42.406
14.544
1.00
52.16
A

ATOM
771
HE21
GLN
85
30.374
42.411
14.226
0.00
0.00
A

ATOM
772
HE22
GLN
85
32.088
42.512
13.980
0.00
0.00
A

ATOM
773
C
GLN
85
28.267
44.652
18.642
1.00
37.32
A

ATOM
774
O
GLN
85
28.811
45.159
19.623
1.00
38.04
A

ATOM
775
N
ALA
86
27.354
45.276
17.906
1.00
37.76
A

ATOM
776
H
ALA
86
26.998
44.819
17.114
0.00
0.00
A

ATOM
777
CA
ALA
86
26.883
46.622
18.226
1.00
38.61
A

ATOM
778
CB
ALA
86
25.998
47.157
17.130
1.00
36.51
A

ATOM
779
C
ALA
86
26.131
46.633
19.535
1.00
40.74
A

ATOM
780
O
ALA
86
26.097
47.654
20.215
1.00
45.10
A

ATOM
781
N
LYS
87
25.502
45.509
19.869
1.00
41.30
A

ATOM
782
H
LYS
87
25.518
44.747
19.251
0.00
0.00
A

ATOM
783
CA
LYS
87
24.763
45.368
21.118
1.00
39.49
A

ATOM
784
CB
LYS
87
23.803
44.175
21.016
1.00
41.52
A

ATOM
785
CG
LYS
87
22.808
44.041
22.158
1.00
46.73
A

ATOM
786
CD
LYS
87
21.831
42.883
21.920
1.00
50.18
A

ATOM
787
CE
LYS
87
20.751
42.793
23.017
1.00
52.39
A

ATOM
788
NZ
LYS
87
21.055
41.845
24.144
1.00
53.96
A

ATOM
789
HZ1
LYS
87
20.286
41.893
24.863
0.00
0.00
A

ATOM
790
HZ2
LYS
87
21.948
41.993
24.647
0.00
0.00
A

ATOM
791
HZ3
LYS
87
21.058
40.873
23.796
0.00
0.00
A

ATOM
792
C
LYS
87
25.783
45.175
22.256
1.00
38.16
A

ATOM
793
O
LYS
87
25.417
44.955
23.409
1.00
39.13
A

ATOM
794
N
GLY
88
27.067
45.229
21.915
1.00
36.46
A

ATOM
795
H
GLY
88
27.358
45.346
20.994
0.00
0.00
A

ATOM
796
CA
GLY
88
28.115
45.090
22.905
1.00
35.83
A

ATOM
797
C
GLY
88
28.756
43.724
23.067
1.00
37.88
A

ATOM
798
O
GLY
88
29.625
43.563
23.925
1.00
41.41
A

ATOM
799
N
TYR
89
28.414
42.755
22.225
1.00
36.71
A

ATOM
800
H
TYR
89
27.803
42.938
21.483
0.00
0.00
A

ATOM
801
CA
TYR
89
28.987
41.424
22.384
1.00
33.86
A

ATOM
802
CB
TYR
89
27.947
40.345
22.080
1.00
32.76
A

ATOM
803
CG
TYR
89
26.680
40.445
22.900
1.00
30.78
A

ATOM
804
CD1
TYR
89
25.590
41.178
22.437
1.00
31.22
A

ATOM
805
CE1
TYR
89
24.412
41.259
23.170
1.00
32.54
A

ATOM
806
CD2
TYR
89
26.562
39.795
24.122
1.00
28.22
A

ATOM
807
CE2
TYR
89
25.385
39.868
24.865
1.00
29.98
A

ATOM
808
CZ
TYR
89
24.314
40.602
24.381
1.00
32.24
A

ATOM
809
OH
TYR
89
23.133
40.690
25.093
1.00
35.47
A

ATOM
810
HH
TYR
89
23.233
40.234
25.939
0.00
0.00
A

ATOM
811
C
TYR
89
30.236
41.141
21.577
1.00
34.63
A

ATOM
812
O
TYR
89
30.504
41.781
20.559
1.00
34.31
A

ATOM
813
N
THR
90
30.992
40.162
22.066
1.00
35.65
A

ATOM
814
H
THR
90
30.725
39.726
22.905
0.00
0.00
A

ATOM
815
CA
THR
90
32.215
39.678
21.440
1.00
36.21
A

ATOM
816
CB
THR
90
33.474
40.104
22.215
1.00
38.32
A

ATOM
817
OG1
THR
90
33.256
39.956
23.623
1.00
43.37
A

ATOM
818
HG1
THR
90
32.557
40.563
23.898
0.00
0.00
A

ATOM
819
CG2
THR
90
33.822
41.538
21.913
1.00
40.08
A

ATOM
820
C
THR
90
32.117
38.151
21.437
1.00
35.13
A

ATOM
821
O
THR
90
31.490
37.560
22.321
1.00
35.43
A

ATOM
822
N
LEU
91
32.732
37.516
20.449
1.00
32.16
A

ATOM
823
H
LEU
91
33.251
38.023
19.793
0.00
0.00
A

ATOM
824
CA
LEU
91
32.671
36.071
20.336
1.00
29.30
A

ATOM
825
CB
LEU
91
33.137
35.627
18.950
1.00
24.67
A

ATOM
826
CG
LEU
91
32.912
34.167
18.587
1.00
19.85
A

ATOM
827
CD1
LEU
91
31.430
33.932
18.372
1.00
20.06
A

ATOM
828
CD2
LEU
91
33.670
33.834
17.337
1.00
19.42
A

ATOM
829
C
LEU
91
33.464
35.320
21.392
1.00
31.02
A

ATOM
830
O
LEU
91
34.570
35.713
21.751
1.00
34.13
A

ATOM
831
N
GLY
92
32.852
34.266
21.922
1.00
32.12
A

ATOM
832
H
GLY
92
31.929
34.073
21.663
0.00
0.00
A

ATOM
833
CA
GLY
92
33.503
33.399
22.886
1.00
29.30
A

ATOM
834
C
GLY
92
33.963
32.257
21.998
1.00
29.48
A

ATOM
835
O
GLY
92
35.149
32.107
21.750
1.00
31.23
A

ATOM
836
N
ASN
93
33.005
31.498
21.467
1.00
26.68
A

ATOM
837
H
ASN
93
32.067
31.695
21.680
0.00
0.00
A

ATOM
838
CA
ASN
93
33.275
30.395
20.554
1.00
22.70
A

ATOM
839
CB
ASN
93
34.159
29.321
21.190
1.00
23.08
A

ATOM
840
CG
ASN
93
33.398
28.376
22.091
1.00
23.73
A

ATOM
841
OD1
ASN
93
33.334
27.172
21.841
1.00
20.09
A

ATOM
842
ND2
ASN
93
32.871
28.903
23.178
1.00
27.74
A

ATOM
843
HD21
ASN
93
33.045
29.852
23.344
0.00
0.00
A

ATOM
844
HD22
ASN
93
32.318
28.349
23.752
0.00
0.00
A

ATOM
845
C
ASN
93
31.968
29.797
20.075
1.00
22.39
A

ATOM
846
O
ASN
93
30.923
30.005
20.688
1.00
22.79
A

ATOM
847
N
VAL
94
32.019
29.136
18.923
1.00
22.36
A

ATOM
848
H
VAL
94
32.876
29.047
18.449
0.00
0.00
A

ATOM
849
CA
VAL
94
30.852
28.481
18.335
1.00
20.54
A

ATOM
850
CB
VAL
94
30.360
29.221
17.058
1.00
21.42
A

ATOM
851
CG1
VAL
94
30.250
30.708
17.327
1.00
19.83
A

ATOM
852
CG2
VAL
94
31.276
28.946
15.874
1.00
19.15
A

ATOM
853
C
VAL
94
31.209
27.027
17.976
1.00
19.33
A

ATOM
854
O
VAL
94
32.380
26.718
17.714
1.00
17.95
A

ATOM
855
N
ASP
95
30.213
26.139
18.048
1.00
19.88
A

ATOM
856
H
ASP
95
29.324
26.428
18.340
0.00
0.00
A

ATOM
857
CA
ASP
95
30.364
24.719
17.710
1.00
17.64
A

ATOM
858
CB
ASP
95
30.434
23.852
18.971
1.00
18.08
A

ATOM
859
CG
ASP
95
30.775
22.391
18.667
1.00
21.66
A

ATOM
860
OD1
ASP
95
30.501
21.505
19.503
1.00
20.28
A

ATOM
861
OD2
ASP
95
31.316
22.095
17.583
1.00
23.59
A

ATOM
862
C
ASP
95
29.137
24.346
16.872
1.00
18.51
A

ATOM
863
O
ASP
95
27.989
24.653
17.253
1.00
19.45
A

ATOM
864
N
VAL
96
29.390
23.751
15.706
1.00
16.90
A

ATOM
865
H
VAL
96
30.329
23.565
15.491
0.00
0.00
A

ATOM
866
CA
VAL
96
28.340
23.352
14.764
1.00
15.26
A

ATOM
867
CB
VAL
96
28.555
24.077
13.397
1.00
15.51
A

ATOM
868
CG1
VAL
96
27.454
23.755
12.414
1.00
14.44
A

ATOM
869
CG2
VAL
96
28.640
25.577
13.608
1.00
13.94
A

ATOM
870
C
VAL
96
28.327
21.828
14.558
1.00
15.23
A

ATOM
871
O
VAL
96
29.381
21.188
14.573
1.00
17.35
A

ATOM
872
N
THR
97
27.139
21.238
14.442
1.00
13.28
A

ATOM
873
H
THR
97
26.327
21.780
14.481
0.00
0.00
A

ATOM
874
CA
THR
97
26.999
19.804
14.214
1.00
14.82
A

ATOM
875
CB
THR
97
26.368
19.108
15.407
1.00
15.83
A

ATOM
876
OG1
THR
97
27.037
19.524
16.606
1.00
19.29
A

ATOM
877
HG1
THR
97
27.951
19.340
16.386
0.00
0.00
A

ATOM
878
CG2
THR
97
26.473
17.596
15.252
1.00
10.00
A

ATOM
879
C
THR
97
26.064
19.611
13.025
1.00
18.72
A

ATOM
880
O
THR
97
24.876
19.923
13.122
1.00
21.12
A

ATOM
881
N
ILE
98
26.610
19.183
11.887
1.00
19.48
A

ATOM
882
H
ILE
98
27.567
19.001
11.854
0.00
0.00
A

ATOM
883
CA
ILE
98
25.826
18.947
10.671
1.00
19.61
A

ATOM
884
CB
ILE
98
26.697
19.095
9.393
1.00
21.12
A

ATOM
885
CG2
ILE
98
25.866
18.850
8.132
1.00
17.76
A

ATOM
886
CG1
ILE
98
27.334
20.481
9.347
1.00
20.52
A

ATOM
887
CD1
ILE
98
28.494
20.560
8.415
1.00
21.17
A

ATOM
888
C
ILE
98
25.304
17.518
10.728
1.00
21.13
A

ATOM
889
O
ILE
98
26.075
16.569
10.918
1.00
25.78
A

ATOM
890
N
ILE
99
23.998
17.357
10.605
1.00
20.00
A

ATOM
891
H
ILE
99
23.415
18.126
10.433
0.00
0.00
A

ATOM
892
CA
ILE
99
23.407
16.030
10.656
1.00
18.35
A

ATOM
893
CB
ILE
99
22.187
16.010
11.601
1.00
15.90
A

ATOM
894
CG2
ILE
99
21.607
14.630
11.685
1.00
12.68
A

ATOM
895
CG1
ILE
99
22.608
16.466
13.001
1.00
11.79
A

ATOM
896
CD1
ILE
99
21.565
17.244
13.702
1.00
8.20
A

ATOM
897
C
ILE
99
23.004
15.713
9.232
1.00
19.98
A

ATOM
898
O
ILE
99
22.048
16.277
8.717
1.00
22.37
A

ATOM
899
N
ALA
100
23.796
14.880
8.570
1.00
21.78
A

ATOM
900
H
ALA
100
24.586
14.505
9.020
0.00
0.00
A

ATOM
901
CA
ALA
100
23.537
14.491
7.196
1.00
21.76
A

ATOM
902
CB
ALA
100
24.141
15.497
6.259
1.00
21.29
A

ATOM
903
C
ALA
100
24.118
13.111
6.920
1.00
24.41
A

ATOM
904
O
ALA
100
25.221
12.778
7.368
1.00
25.86
A

ATOM
905
N
GLN
101
23.338
12.297
6.219
1.00
23.45
A

ATOM
906
H
GLN
101
22.466
12.642
5.933
0.00
0.00
A

ATOM
907
CA
GLN
101
23.730
10.944
5.839
1.00
22.22
A

ATOM
908
CB
GLN
101
22.506
10.214
5.269
1.00
22.24
A

ATOM
909
CG
GLN
101
22.652
8.718
5.115
1.00
22.85
A

ATOM
910
CD
GLN
101
22.866
8.015
6.441
1.00
23.88
A

ATOM
911
OE1
GLN
101
23.586
7.024
6.514
1.00
27.80
A

ATOM
912
NE2
GLN
101
22.229
8.514
7.493
1.00
24.00
A

ATOM
913
HE21
GLN
101
21.610
9.265
7.372
0.00
0.00
A

ATOM
914
HE22
GLN
101
22.455
6.092
8.342
0.00
0.00
A

ATOM
915
C
GLN
101
24.793
11.065
4.754
1.00
21.36
A

ATOM
916
O
GLN
101
25.688
10.237
4.620
1.00
22.39
A

ATOM
917
N
ALA
102
24.648
12.098
3.946
1.00
21.14
A

ATOM
918
H
ALA
102
23.904
12.728
4.054
0.00
0.00
A

ATOM
919
CA
ALA
102
25.563
12.372
2.855
1.00
21.10
A

ATOM
920
CB
ALA
102
25.403
11.326
1.769
1.00
16.60
A

ATOM
921
C
ALA
102
25.150
13.742
2.345
1.00
21.35
A

ATOM
922
O
ALA
102
23.990
14.125
2.485
1.00
23.11
A

ATOM
923
N
PRO
103
26.062
14.461
1.676
1.00
23.02
A

ATOM
924
CD
PRO
103
25.800
15.739
0.981
1.00
20.44
A

ATOM
925
CA
PRO
103
27.423
13.978
1.417
1.00
23.61
A

ATOM
926
CB
PRO
103
27.881
14.878
0.269
1.00
19.36
A

ATOM
927
CG
PRO
103
27.177
16.164
0.547
1.00
20.06
A

ATOM
928
C
PRO
103
28.356
14.027
2.638
1.00
27.06
A

ATOM
929
O
PRO
103
27.948
14.432
3.737
1.00
30.75
A

ATOM
930
N
LYS
104
29.584
13.538
2.455
1.00
28.26
A

ATOM
931
H
LYS
104
29.823
13.198
1.572
0.00
0.00
A

ATOM
932
CA
LYS
104
30.609
13.521
3.505
1.00
25.95
A

ATOM
933
CB
LYS
104
31.795
12.683
3.023
1.00
26.26
A

ATOM
934
CG
LYS
104
32.788
12.300
4.091
1.00
32.64
A

ATOM
935
CD
LYS
104
32.253
11.191
4.977
1.00
37.05
A

ATOM
936
CE
LYS
104
33.248
10.857
6.082
1.00
39.91
A

ATOM
937
NZ
LYS
104
32.850
9.618
6.824
1.00
45.96
A

ATOM
938
HZ1
LYS
104
32.816
8.814
6.166
0.00
0.00
A

ATOM
939
HZ2
LYS
104
31.916
9.742
7.265
0.00
0.00
A

ATOM
940
HZ3
LYS
104
33.548
9.423
7.572
0.00
0.00
A

ATOM
941
C
LYS
104
31.049
14.973
3.720
1.00
25.70
A

ATOM
942
O
LYS
104
31.528
15.626
2.793
1.00
28.73
A

ATOM
943
N
MET
105
30.892
15.482
4.930
1.00
23.00
A

ATOM
944
H
MET
105
30.471
14.944
5.619
0.00
0.00
A

ATOM
945
CA
MET
105
31.251
16.857
5.200
1.00
20.31
A

ATOM
946
CB
MET
105
30.392
17.404
6.338
1.00
20.07
A

ATOM
947
CG
MET
105
28.901
17.293
6.118
1.00
19.73
A

ATOM
948
SD
MET
105
28.468
18.310
4.747
1.00
23.41
A

ATOM
949
CE
MET
105
26.816
17.876
4.464
1.00
18.54
A

ATOM
950
C
MET
105
32.690
16.975
5.599
1.00
20.48
A

ATOM
951
O
MET
105
33.318
18.008
5.402
1.00
22.73
A

ATOM
952
N
LEU
106
33.228
15.891
6.119
1.00
21.27
A

ATOM
953
H
LEU
106
32.699
15.082
6.123
0.00
0.00
A

ATOM
954
CA
LEU
106
34.582
15.886
6.638
1.00
23.19
A

ATOM
955
CB
LEU
106
35.038
14.456
6.933
1.00
26.27
A

ATOM
956
CG
LEU
106
36.304
14.396
7.799
1.00
28.31
A

ATOM
957
CD1
LEU
106
36.083
15.126
9.117
1.00
25.60
A

ATOM
958
CD2
LEU
106
36.687
12.969
8.055
1.00
30.24
A

ATOM
959
C
LEU
106
35.670
16.641
5.881
1.00
23.93
A

ATOM
960
O
LEU
106
36.389
17.445
6.464
1.00
24.02
A

ATOM
961
N
PRO
107
35.812
16.395
4.580
1.00
24.64
A

ATOM
962
CD
PRO
107
35.266
15.296
3.763
1.00
24.66
A

ATOM
963
CA
PRO
107
36.866
17.113
3.856
1.00
24.64
A

ATOM
964
CB
PRO
107
36.927
16.369
2.517
1.00
24.42
A

ATOM
965
CG
PRO
107
35.577
15.750
2.377
1.00
22.59
A

ATOM
966
C
PRO
107
36.684
18.601
3.649
1.00
24.83
A

ATOM
967
O
PRO
107
37.639
19.313
3.329
1.00
26.50
A

ATOM
968
N
HIS
108
35.458
19.073
3.820
1.00
26.40
A

ATOM
969
H
HIS
108
34.760
18.472
4.160
0.00
0.00
A

ATOM
970
CA
HIS
108
35.135
20.483
3.596
1.00
24.44
A

ATOM
971
CB
HIS
108
33.769
20.576
2.924
1.00
21.94
A

ATOM
972
CG
HIS
108
33.598
19.633
1.776
1.00
21.26
A

ATOM
973
CD2
HIS
108
32.965
18.441
1.691
1.00
22.57
A

ATOM
974
ND1
HIS
108
34.107
19.885
0.521
1.00
21.69
A

ATOM
975
HD1
HIS
108
34.557
20.709
0.240
0.00
0.00
A

ATOM
976
CE1
HIS
108
33.796
18.889
−0.291
1.00
21.16
A

ATOM
977
NE2
HIS
108
33.102
17.999
0.396
1.00
26.38
A

ATOM
978
HE2
HIS
108
32.723
17.157
0.052
0.00
0.00
A

ATOM
979
C
HIS
108
35.126
21.330
4.859
1.00
24.57
A

ATOM
980
O
HIS
108
35.004
22.554
4.808
1.00
24.66
A

ATOM
981
N
ILE
109
35.267
20.685
6.001
1.00
24.16
A

ATOM
982
H
ILE
109
35.402
19.713
6.018
0.00
0.00
A

ATOM
983
CA
ILE
109
35.230
21.411
7.245
1.00
22.94
A

ATOM
984
CB
ILE
109
35.076
20.438
8.414
1.00
21.11
A

ATOM
985
CG2
ILE
109
35.460
21.099
9.728
1.00
18.07
A

ATOM
986
CG1
ILE
109
33.630
19.929
8.395
1.00
21.03
A

ATOM
987
CD1
ILE
109
33.342
18.794
9.307
1.00
19.99
A

ATOM
988
C
ILE
109
36.321
22.457
7.438
1.00
23.74
A

ATOM
989
O
ILE
109
36.040
23.552
7.941
1.00
28.27
A

ATOM
990
N
PRO
110
37.568
22.164
7.032
1.00
21.42
A

ATOM
991
CD
PRO
110
38.113
20.876
6.569
1.00
20.03
A

ATOM
992
CA
PRO
110
38.640
23.157
7.197
1.00
20.88
A

ATOM
993
CB
PRO
110
39.821
22.477
6.525
1.00
19.93
A

ATOM
994
CG
PRO
110
39.580
21.018
6.859
1.00
18.67
A

ATOM
995
C
PRO
110
38.279
24.469
6.499
1.00
22.22
A

ATOM
996
O
PRO
110
38.400
25.556
7.083
1.00
22.23
A

ATOM
997
N
GLN
111
37.800
24.350
5.259
1.00
24.84
A

ATOM
998
H
GLN
111
37.725
23.457
4.866
0.00
0.00
A

ATOM
999
CA
GLN
111
37.388
25.511
4.465
1.00
25.00
A

ATOM
1000
CB
GLN
111
37.049
25.092
3.037
1.00
22.50
A

ATOM
1001
CG
GLN
111
36.842
26.256
2.085
1.00
21.51
A

ATOM
1002
CD
GLN
111
37.951
27.278
2.176
1.00
21.23
A

ATOM
1003
OE1
GLN
111
37.703
28.457
2.379
1.00
26.01
A

ATOM
1004
NE2
GLN
111
39.179
26.827
2.055
1.00
19.65
A

ATOM
1005
HE21
GLN
111
39.280
25.867
1.940
0.00
0.00
A

ATOM
1006
HE22
GLN
111
39.886
27.509
2.085
0.00
0.00
A

ATOM
1007
C
GLN
111
36.198
26.208
5.125
1.00
26.58
A

ATOM
1008
O
GLN
111
36.117
27.432
5.123
1.00
30.59
A

ATOM
1009
N
MET
112
35.288
25.424
5.701
1.00
28.16
A

ATOM
1010
H
MET
112
35.383
24.453
5.638
0.00
0.00
A

ATOM
1011
CA
MET
112
34.122
25.962
6.407
1.00
25.55
A

ATOM
1012
CB
MET
112
33.257
24.835
6.970
1.00
21.85
A

ATOM
1013
CG
MET
112
32.331
24.192
5.983
1.00
18.40
A

ATOM
1014
SD
MET
112
31.293
22.998
6.794
1.00
20.99
A

ATOM
1015
CE
MET
112
31.111
21.836
5.536
1.00
18.79
A

ATOM
1016
C
MET
112
34.605
26.827
7.565
1.00
26.22
A

ATOM
1017
O
MET
112
34.179
27.977
7.704
1.00
29.08
A

ATOM
1018
N
ARG
113
35.533
26.298
8.366
1.00
25.36
A

ATOM
1019
H
ARG
113
35.866
25.402
8.168
0.00
0.00
A

ATOM
1020
CA
ARG
113
36.062
27.042
9.515
1.00
22.96
A

ATOM
1021
CB
ARG
113
37.027
26.193
10.322
1.00
21.15
A

ATOM
1022
CG
ARG
113
36.394
24.972
10.917
1.00
19.88
A

ATOM
1023
CD
ARG
113
37.427
24.162
11.611
1.00
19.44
A

ATOM
1024
NE
ARG
113
37.873
24.832
12.815
1.00
23.83
A

ATOM
1025
HE
ARG
113
37.251
25.484
13.217
0.00
0.00
A

ATOM
1026
CZ
ARG
113
39.046
24.612
13.400
1.00
24.74
A

ATOM
1027
NH1
ARG
113
39.364
25.259
14.511
1.00
23.20
A

ATOM
1028
HH11
ARG
113
38.688
25.915
14.888
0.00
0.00
A

ATOM
1029
HH12
ARG
113
40.204
25.130
15.040
0.00
0.00
A

ATOM
1030
NH2
ARG
113
39.920
23.782
12.850
1.00
27.49
A

ATOM
1031
HH21
ARG
113
39.682
23.313
11.999
0.00
0.00
A

ATOM
1032
HH22
ARG
113
40.800
23.586
13.283
0.00
0.00
A

ATOM
1033
C
ARG
113
36.753
28.324
9.104
1.00
23.87
A

ATOM
1034
O
ARG
113
36.800
29.264
9.870
1.00
26.90
A

ATOM
1035
N
VAL
114
37.316
28.346
7.904
1.00
23.95
A

ATOM
1036
H
VAL
114
37.290
27.535
7.354
0.00
0.00
A

ATOM
1037
CA
VAL
114
37.993
29.519
7.385
1.00
20.83
A

ATOM
1038
CB
VAL
114
38.800
29.143
6.143
1.00
22.99
A

ATOM
1039
CG1
VAL
114
39.242
30.386
5.378
1.00
17.27
A

ATOM
1040
CG2
VAL
114
39.992
28.280
6.557
1.00
18.58
A

ATOM
1041
C
VAL
114
36.968
30.586
7.040
1.00
23.41
A

ATOM
1042
O
VAL
114
37.145
31.765
7.359
1.00
25.36
A

ATOM
1043
N
PHE
115
35.892
30.172
6.389
1.00
21.86
A

ATOM
1044
H
PHE
115
35.815
29.227
6.126
0.00
0.00
A

ATOM
1045
CA
PHE
115
34.837
31.091
6.035
1.00
20.46
A

ATOM
1046
CB
PHE
115
33.830
30.386
5.169
1.00
19.94
A

ATOM
1047
CG
PHE
115
34.286
30.200
3.772
1.00
19.38
A

ATOM
1048
CD1
PHE
115
33.664
29.286
2.943
1.00
19.34
A

ATOM
1049
CD2
PHE
115
35.270
31.010
3.245
1.00
19.40
A

ATOM
1050
CE1
PHE
115
34.006
29.195
1.608
1.00
17.70
A

ATOM
1051
CE2
PHE
115
35.612
30.921
1.906
1.00
20.55
A

ATOM
1052
CZ
PHE
115
34.974
30.013
1.089
1.00
16.90
A

ATOM
1053
C
PHE
115
34.141
31.645
7.258
1.00
22.63
A

ATOM
1054
O
PHE
115
33.991
32.854
7.388
1.00
25.45
A

ATOM
1055
N
ILE
116
33.727
30.768
8.166
1.00
23.42
A

ATOM
1056
H
ILE
116
33.878
29.815
8.000
0.00
0.00
A

ATOM
1057
CA
ILE
116
33.035
31.195
9.385
1.00
22.27
A

ATOM
1058
CB
ILE
116
32.540
29.981
10.214
1.00
20.68
A

ATOM
1059
CG2
ILE
116
31.854
30.447
11.502
1.00
22.54
A

ATOM
1060
CG1
ILE
116
31.540
29.166
9.389
1.00
19.53
A

ATOM
1061
CD1
ILE
116
31.156
27.833
9.999
1.00
15.30
A

ATOM
1062
C
ILE
116
33.877
32.125
10.256
1.00
23.20
A

ATOM
1063
O
ILE
116
33.387
33.146
10.724
1.00
27.15
A

ATOM
1064
N
ALA
117
35.149
31.797
10.451
1.00
23.66
A

ATOM
1065
H
ALA
117
35.516
30.983
10.044
0.00
0.00
A

ATOM
1066
CA
ALA
117
36.043
32.614
11.275
1.00
23.66
A

ATOM
1067
CB
ALA
117
37.372
31.910
11.463
1.00
24.22
A

ATOM
1068
C
ALA
117
36.263
33.966
10.631
1.00
25.94
A

ATOM
1069
O
ALA
117
36.461
34.970
11.302
1.00
27.54
A

ATOM
1070
N
GLU
118
36.263
33.969
9.311
1.00
29.34
A

ATOM
1071
H
GLU
118
36.179
33.129
8.812
0.00
0.00
A

ATOM
1072
CA
GLU
118
36.431
35.181
8.535
1.00
30.36
A

ATOM
1073
CB
GLU
118
36.429
34.815
7.059
1.00
36.53
A

ATOM
1074
CG
GLU
118
37.286
35.681
6.168
1.00
46.08
A

ATOM
1075
CD
GLU
118
37.542
35.017
4.826
1.00
51.97
A

ATOM
1076
OE1
GLU
118
38.630
34.400
4.685
1.00
54.29
A

ATOM
1077
OE2
GLU
118
36.647
35.091
3.933
1.00
53.35
A

ATOM
1078
C
GLU
118
35.229
36.049
8.844
1.00
28.73
A

ATOM
1079
O
GLU
118
35.370
37.152
9.344
1.00
28.53
A

ATOM
1080
N
ASP
119
34.046
35.490
8.607
1.00
27.95
A

ATOM
1081
H
ASP
119
34.011
34.588
8.230
0.00
0.00
A

ATOM
1082
CA
ASP
119
32.777
36.160
8.834
1.00
26.70
A

ATOM
1083
CB
ASP
119
31.622
35.217
8.486
1.00
26.99
A

ATOM
1084
CG
ASP
119
31.447
35.016
6.994
1.00
28.65
A

ATOM
1085
OD1
ASP
119
30.536
34.254
6.608
1.00
29.00
A

ATOM
1086
OD2
ASP
119
32.195
35.620
6.194
1.00
30.02
A

ATOM
1087
C
ASP
119
32.582
36.682
10.257
1.00
27.75
A

ATOM
1088
O
ASP
119
31.934
37.717
10.467
1.00
27.35
A

ATOM
1089
N
LEU
120
33.109
35.951
11.235
1.00
27.46
A

ATOM
1090
H
LEU
120
33.575
35.123
10.997
0.00
0.00
A

ATOM
1091
CA
LEU
120
32.960
36.342
12.629
1.00
26.98
A

ATOM
1092
CB
LEU
120
32.718
35.108
13.511
1.00
23.01
A

ATOM
1093
CG
LEU
120
31.465
34.283
13.201
1.00
21.83
A

ATOM
1094
CD1
LEU
120
31.400
33.099
14.130
1.00
17.51
A

ATOM
1095
CD2
LEU
120
30.206
35.136
13.321
1.00
19.28
A

ATOM
1096
C
LEU
120
34.163
37.132
13.123
1.00
29.70
A

ATOM
1097
O
LEU
120
34.225
37.541
14.290
1.00
31.59
A

ATOM
1098
N
GLY
121
35.131
37.325
12.235
1.00
31.47
A

ATOM
1099
H
GLY
121
35.062
36.962
11.329
0.00
0.00
A

ATOM
1100
CA
GLY
121
36.325
38.072
12.585
1.00
30.53
A

ATOM
1101
C
GLY
121
37.097
37.482
13.738
1.00
30.81
A

ATOM
1102
O
GLY
121
37.754
38.208
14.484
1.00
33.57
A

ATOM
1103
N
CYS
122
37.047
36.163
13.875
1.00
31.22
A

ATOM
1104
H
CYS
122
36.589
35.623
13.200
0.00
0.00
A

ATOM
1105
CA
CYS
122
37.749
35.488
14.960
1.00
30.91
A

ATOM
1106
CB
CYS
122
36.782
34.668
15.820
1.00
28.33
A

ATOM
1107
SG
CYS
122
36.050
33.263
14.987
1.00
26.15
A

ATOM
1108
C
CYS
122
38.796
34.567
14.392
1.00
32.46
A

ATOM
1109
O
CYS
122
39.034
34.527
13.184
1.00
34.41
A

ATOM
1110
N
HIS
123
39.419
33.818
15.281
1.00
34.90
A

ATOM
1111
H
HIS
123
39.163
33.864
16.231
0.00
0.00
A

ATOM
1112
CA
HIS
123
40.431
32.879
14.889
1.00
35.93
A

ATOM
1113
CB
HIS
123
41.478
32.770
15.993
1.00
44.57
A

ATOM
1114
CG
HIS
123
42.631
31.890
15.637
1.00
52.97
A

ATOM
1115
CD2
HIS
123
43.564
32.001
14.662
1.00
55.11
A

ATOM
1116
ND1
HIS
123
42.906
30.711
16.299
1.00
56.93
A

ATOM
1117
HD1
HIS
123
42.435
30.342
17.089
0.00
0.00
A

ATOM
1118
CE1
HIS
123
43.957
30.134
15.748
1.00
57.57
A

ATOM
1119
NE2
HIS
123
44.375
30.897
14.753
1.00
57.48
A

ATOM
1120
HE2
HIS
123
45.174
30.750
14.190
0.00
0.00
A

ATOM
1121
C
HIS
123
39.731
31.550
14.684
1.00
34.48
A

ATOM
1122
O
HIS
123
38.705
31.279
15.295
1.00
32.89
A

ATOM
1123
N
MET
124
40.272
30.732
13.796
1.00
34.44
A

ATOM
1124
H
MET
124
41.022
31.027
13.244
0.00
0.00
A

ATOM
1125
CA
MET
124
39.698
29.429
13.529
1.00
34.15
A

ATOM
1126
CB
MET
124
40.590
28.633
12.596
1.00
34.48
A

ATOM
1127
CG
MET
124
40.245
28.733
11.152
1.00
37.53
A

ATOM
1128
SD
MET
124
41.421
27.704
10.294
1.00
42.26
A

ATOM
1129
CE
MET
124
40.524
26.210
10.128
1.00
41.79
A

ATOM
1130
C
MET
124
39.514
28.610
14.789
1.00
34.63
A

ATOM
1131
O
MET
124
38.601
27.797
14.850
1.00
37.33
A

ATOM
1132
N
ASP
125
40.386
28.791
15.781
1.00
32.80
A

ATOM
1133
H
ASP
125
41.076
29.460
15.691
0.00
0.00
A

ATOM
1134
CA
ASP
125
40.284
28.003
17.005
1.00
32.71
A

ATOM
1135
CB
ASP
125
41.516
28.154
17.906
1.00
43.03
A

ATOM
1136
CG
ASP
125
41.520
27.129
19.068
1.00
53.79
A

ATOM
1137
OD1
ASP
125
42.087
26.026
18.892
1.00
59.91
A

ATOM
1138
OD2
ASP
125
40.937
27.395
20.153
1.00
59.02
A

ATOM
1139
C
ASP
125
39.026
28.268
17.797
1.00
29.12
A

ATOM
1140
O
ASP
125
38.654
27.475
18.647
1.00
30.19
A

ATOM
1141
N
ASP
126
38.339
29.357
17.495
1.00
25.24
A

ATOM
1142
H
ASP
126
38.626
30.000
16.820
0.00
0.00
A

ATOM
1143
CA
ASP
126
37.111
29.669
18.194
1.00
22.66
A

ATOM
1144
CB
ASP
126
36.948
31.168
18.344
1.00
24.15
A

ATOM
1145
CG
ASP
126
38.041
31.780
19.164
1.00
27.12
A

ATOM
1146
OD1
ASP
126
38.304
32.984
18.986
1.00
33.75
A

ATOM
1147
OD2
ASP
126
38.658
31.056
19.976
1.00
31.37
A

ATOM
1148
C
ASP
126
35.945
29.132
17.429
1.00
21.17
A

ATOM
1149
O
ASP
126
34.803
29.385
17.789
1.00
22.12
A

ATOM
1150
N
VAL
127
36.234
28.374
16.380
1.00
19.01
A

ATOM
1151
H
VAL
127
37.161
28.182
16.152
0.00
0.00
A

ATOM
1152
CA
VAL
127
35.212
27.809
15.522
1.00
18.45
A

ATOM
1153
CB
VAL
127
35.249
28.481
14.131
1.00
20.02
A

ATOM
1154
CG1
VAL
127
34.168
27.913
13.241
1.00
20.57
A

ATOM
1155
CG2
VAL
127
35.097
29.992
14.263
1.00
19.44
A

ATOM
1156
C
VAL
127
35.413
26.314
15.319
1.00
18.95
A

ATOM
1157
O
VAL
127
36.487
25.874
14.926
1.00
19.18
A

ATOM
1158
N
ASN
128
34.374
25.531
15.563
1.00
19.15
A

ATOM
1159
H
ASN
128
33.529
25.905
15.905
0.00
0.00
A

ATOM
1160
CA
ASN
128
34.454
24.091
15.361
1.00
20.66
A

ATOM
1161
CB
ASN
128
34.524
23.350
16.704
1.00
21.54
A

ATOM
1162
CG
ASN
128
34.868
21.879
16.543
1.00
22.62
A

ATOM
1163
OD1
ASN
128
36.024
21.525
16.322
1.00
22.44
A

ATOM
1164
ND2
ASN
128
33.869
21.017
16.655
1.00
21.64
A

ATOM
1165
HD21
ASN
128
32.989
21.399
16.859
0.00
0.00
A

ATOM
1166
HD22
ASN
128
34.046
20.058
16.538
0.00
0.00
A

ATOM
1167
C
ASN
128
33.224
23.631
14.576
1.00
20.89
A

ATOM
1168
O
ASN
128
32.132
24.176
14.749
1.00
21.59
A

ATOM
1169
N
VAL
129
33.422
22.705
13.642
1.00
18.73
A

ATOM
1170
H
VAL
129
34.311
22.325
13.476
0.00
0.00
A

ATOM
1171
CA
VAL
129
32.315
22.163
12.873
1.00
17.22
A

ATOM
1172
CB
VAL
129
32.296
22.670
11.442
1.00
16.58
A

ATOM
1173
CG1
VAL
129
31.120
22.070
10.719
1.00
12.70
A

ATOM
1174
CG2
VAL
129
32.214
24.182
11.418
1.00
14.63
A

ATOM
1175
C
VAL
129
32.490
20.656
12.859
1.00
17.83
A

ATOM
1176
O
VAL
129
33.612
20.170
12.830
1.00
18.94
A

ATOM
1177
N
LYS
130
31.399
19.907
12.941
1.00
17.82
A

ATOM
1178
H
LYS
130
30.510
20.318
12.987
0.00
0.00
A

ATOM
1179
CA
LYS
130
31.496
18.458
12.921
1.00
15.78
A

ATOM
1180
CB
LYS
130
31.546
17.905
14.341
1.00
19.59
A

ATOM
1181
CG
LYS
130
30.232
17.866
15.067
1.00
21.72
A

ATOM
1182
CD
LYS
130
30.437
17.434
16.505
1.00
19.99
A

ATOM
1183
CE
LYS
130
31.060
18.531
17.330
1.00
21.11
A

ATOM
1184
NZ
LYS
130
30.098
19.648
17.542
1.00
18.84
A

ATOM
1185
HZ1
LYS
130
30.611
20.325
18.153
0.00
0.00
A

ATOM
1186
HZ2
LYS
130
29.281
19.363
18.097
0.00
0.00
A

ATOM
1187
HZ3
LYS
130
29.875
20.206
16.700
0.00
0.00
A

ATOM
1188
C
LYS
130
30.300
17.916
12.188
1.00
16.35
A

ATOM
1189
O
LYS
130
29.410
18.677
11.831
1.00
15.71
A

ATOM
1190
N
ALA
131
30.268
16.609
11.955
1.00
18.04
A

ATOM
1191
H
ALA
131
31.000
16.018
12.272
0.00
0.00
A

ATOM
1192
CA
ALA
131
29.145
16.026
11.255
1.00
16.54
A

ATOM
1193
CB
ALA
131
29.449
15.925
9.782
1.00
17.34
A

ATOM
1194
C
ALA
131
28.778
14.671
11.821
1.00
18.05
A

ATOM
1195
O
ALA
131
29.543
14.081
12.581
1.00
18.75
A

ATOM
1196
N
THR
132
27.563
14.224
11.512
1.00
19.98
A

ATOM
1197
H
THR
132
26.951
14.784
10.984
0.00
0.00
A

ATOM
1198
CA
THR
132
27.074
12.922
11.938
1.00
20.72
A

ATOM
1199
CB
THR
132
26.589
12.927
13.405
1.00
23.76
A

ATOM
1200
OG1
THR
132
26.273
11.587
13.804
1.00
28.13
A

ATOM
1201
HG1
THR
132
25.350
11.330
13.700
0.00
0.00
A

ATOM
1202
CG2
THR
132
25.335
13.789
13.572
1.00
24.65
A

ATOM
1203
C
THR
132
25.909
12.526
11.052
1.00
22.87
A

ATOM
1204
O
THR
132
25.214
13.386
10.511
1.00
24.45
A

ATOM
1205
N
THR
133
25.731
11.221
10.867
1.00
24.71
A

ATOM
1206
H
THR
133
26.334
10.634
11.344
0.00
0.00
A

ATOM
1207
CA
THR
133
24.622
10.677
10.078
1.00
23.94
A

ATOM
1208
CB
THR
133
25.008
9.404
9.249
1.00
22.97
A

ATOM
1209
OG1
THR
133
25.300
8.325
10.134
1.00
24.28
A

ATOM
1210
HG1
THR
133
25.658
8.667
10.960
0.00
0.00
A

ATOM
1211
CG2
THR
133
26.206
9.631
8.378
1.00
20.89
A

ATOM
1212
C
THR
133
23.676
10.183
11.151
1.00
25.52
A

ATOM
1213
O
THR
133
24.083
10.010
12.313
1.00
25.29
A

ATOM
1214
N
THR
134
22.426
9.955
10.787
1.00
26.77
A

ATOM
1215
H
THR
134
22.077
10.165
9.900
0.00
0.00
A

ATOM
1216
CA
THR
134
21.480
9.423
11.756
1.00
28.61
A

ATOM
1217
CB
THR
134
20.163
10.169
11.693
1.00
26.32
A

ATOM
1218
OG1
THR
134
19.766
10.316
10.326
1.00
29.09
A

ATOM
1219
HG1
THR
134
18.805
10.462
10.313
0.00
0.00
A

ATOM
1220
CG2
THR
134
20.349
11.536
12.288
1.00
24.43
A

ATOM
1221
C
THR
134
21.328
7.920
11.474
1.00
30.19
A

ATOM
1222
O
THR
134
20.285
7.312
11.734
1.00
31.26
A

ATOM
1223
N
GLU
135
22.426
7.347
10.973
1.00
29.66
A

ATOM
1224
H
GLU
135
23.246
7.862
10.872
0.00
0.00
A

ATOM
1225
CA
GLU
135
22.550
5.938
10.617
1.00
30.60
A

ATOM
1226
CB
GLU
135
22.962
5.082
11.859
1.00
30.82
A

ATOM
1227
CG
GLU
135
24.325
5.473
12.617
1.00
37.55
A

ATOM
1228
CD
GLU
135
25.634
4.957
11.954
1.00
46.16
A

ATOM
1229
OE1
GLU
135
26.731
4.797
12.609
1.00
52.93
A

ATOM
1230
OE2
GLU
135
25.636
4.724
10.734
1.00
53.64
A

ATOM
1231
C
GLU
135
21.295
5.415
9.862
1.00
29.46
A

ATOM
1232
O
GLU
135
20.665
4.434
10.246
1.00
31.45
A

ATOM
1233
N
LYS
136
20.948
6.090
8.769
1.00
26.96
A

ATOM
1234
H
LYS
136
21.499
6.838
8.497
0.00
0.00
A

ATOM
1235
CA
LYS
136
19.801
5.721
7.930
1.00
26.37
A

ATOM
1236
CB
LYS
136
19.922
4.281
7.451
1.00
27.24
A

ATOM
1237
CG
LYS
136
20.994
4.063
6.423
1.00
30.47
A

ATOM
1238
CD
LYS
136
20.567
4.610
5.097
1.00
37.61
A

ATOM
1239
CE
LYS
136
21.541
4.199
3.995
1.00
47.03
A

ATOM
1240
NZ
LYS
136
21.098
4.676
2.636
1.00
52.17
A

ATOM
1241
HZ1
LYS
136
21.791
4.399
1.915
0.00
0.00
A

ATOM
1242
HZ2
LYS
136
21.020
5.714
2.676
0.00
0.00
A

ATOM
1243
HZ3
LYS
136
20.163
4.276
2.421
0.00
0.00
A

ATOM
1244
C
LYS
136
18.403
5.960
8.492
1.00
25.21
A

ATOM
1245
O
LYS
136
17.400
5.705
7.822
1.00
25.62
A

ATOM
1246
N
LEU
137
18.327
6.469
9.707
1.00
24.24
A

ATOM
1247
H
LEU
137
19.133
6.654
10.230
0.00
0.00
A

ATOM
1248
CA
LEU
137
17.044
6.752
10.314
1.00
22.17
A

ATOM
1249
CB
LEU
137
17.129
6.521
11.830
1.00
20.95
A

ATOM
1250
CG
LEU
137
17.479
5.125
12.345
1.00
17.57
A

ATOM
1251
CD1
LEU
137
17.385
5.071
13.847
1.00
16.93
A

ATOM
1252
CD2
LEU
137
16.511
4.161
11.772
1.00
16.03
A

ATOM
1253
C
LEU
137
16.572
8.193
10.032
1.00
23.25
A

ATOM
1254
O
LEU
137
17.384
9.120
9.882
1.00
24.33
A

ATOM
1255
N
GLY
138
15.255
8.364
9.927
1.00
21.73
A

ATOM
1256
H
GLY
138
14.706
7.558
9.986
0.00
0.00
A

ATOM
1257
CA
GLY
138
14.668
9.679
9.721
1.00
19.28
A

ATOM
1258
C
GLY
138
14.738
10.320
8.354
1.00
20.83
A

ATOM
1259
O
GLY
138
15.229
9.730
7.396
1.00
22.89
A

ATOM
1260
N
PHE
139
14.247
11.550
8.262
1.00
19.55
A

ATOM
1261
H
PHE
139
13.915
12.010
9.058
0.00
0.00
A

ATOM
1262
CA
PHE
139
14.252
12.249
6.997
1.00
20.09
A

ATOM
1263
CB
PHE
139
13.469
13.556
7.082
1.00
18.62
A

ATOM
1264
CG
PHE
139
14.120
14.631
7.916
1.00
20.58
A

ATOM
1265
CD1
PHE
139
15.103
15.454
7.380
1.00
22.70
A

ATOM
1266
CD2
PHE
139
13.696
14.879
9.207
1.00
18.27
A

ATOM
1267
CE1
PHE
139
15.644
16.503
8.115
1.00
20.94
A

ATOM
1268
CE2
PHE
139
14.240
15.936
9.947
1.00
17.15
A

ATOM
1269
CZ
PHE
139
15.208
16.741
9.399
1.00
18.14
A

ATOM
1270
C
PHE
139
15.673
12.472
6.540
1.00
20.80
A

ATOM
1271
O
PHE
139
15.939
12.562
5.353
1.00
24.89
A

ATOM
1272
N
THR
140
16.582
12.561
7.496
1.00
21.00
A

ATOM
1273
H
THR
140
16.342
12.508
8.440
0.00
0.00
A

ATOM
1274
CA
THR
140
17.998
12.747
7.205
1.00
23.14
A

ATOM
1275
CB
THR
140
18.786
13.201
8.461
1.00
21.69
A

ATOM
1276
OG1
THR
140
18.245
12.535
9.616
1.00
27.74
A

ATOM
1277
HG1
THR
140
18.746
12.853
10.376
0.00
0.00
A

ATOM
1278
CG2
THR
140
18.705
14.714
8.643
1.00
18.25
A

ATOM
1279
C
THR
140
18.555
11.402
6.747
1.00
23.93
A

ATOM
1280
O
THR
140
19.242
11.334
5.734
1.00
26.53
A

ATOM
1281
N
GLY
141
18.266
10.342
7.506
1.00
24.35
A

ATOM
1282
H
GLY
141
17.742
10.450
8.327
0.00
0.00
A

ATOM
1283
CA
GLY
141
18.733
9.010
7.165
1.00
21.24
A

ATOM
1284
C
GLY
141
18.204
8.567
5.817
1.00
23.06
A

ATOM
1285
O
GLY
141
18.859
7.800
5.107
1.00
25.29
A

ATOM
1286
N
ARG
142
17.031
9.069
5.441
1.00
22.67
A

ATOM
1287
H
ARG
142
16.557
9.671
6.042
0.00
0.00
A

ATOM
1288
CA
ARG
142
16.439
8.725
4.160
1.00
20.74
A

ATOM
1289
CB
ARG
142
14.939
8.750
4.250
1.00
18.36
A

ATOM
1290
CG
ARG
142
14.452
7.652
5.128
1.00
20.99
A

ATOM
1291
CD
ARG
142
12.991
7.496
4.956
1.00
22.98
A

ATOM
1292
NE
ARG
142
12.365
8.773
5.208
1.00
23.08
A

ATOM
1293
HE
ARG
142
12.352
9.334
4.423
0.00
0.00
A

ATOM
1294
CZ
ARG
142
11.907
9.137
6.393
1.00
23.81
A

ATOM
1295
NH1
ARG
142
11.359
10.328
6.556
1.00
25.63
A

ATOM
1296
HH11
ARG
142
11.363
10.919
5.712
0.00
0.00
A

ATOM
1297
HH12
ARG
142
11.000
10.724
7.382
0.00
0.00
A

ATOM
1298
NH2
ARG
142
11.998
8.295
7.408
1.00
22.83
A

ATOM
1299
HH21
ARG
142
12.420
7.396
7.243
0.00
0.00
A

ATOM
1300
HH22
ARG
142
11.667
8.501
8.320
0.00
0.00
A

ATOM
1301
C
ARG
142
16.904
9.588
3.008
1.00
21.27
A

ATOM
1302
O
ARG
142
16.494
9.381
1.870
1.00
24.37
A

ATOM
1303
N
GLY
143
17.750
10.562
3.305
1.00
19.79
A

ATOM
1304
H
GLY
143
18.031
10.703
4.232
0.00
0.00
A

ATOM
1305
CA
GLY
143
18.276
11.418
2.267
1.00
18.02
A

ATOM
1306
C
GLY
143
17.314
12.473
1.801
1.00
20.26
A

ATOM
1307
O
GLY
143
17.525
13.067
0.737
1.00
22.68
A

ATOM
1308
N
GLU
144
16.290
12.735
2.607
1.00
20.76
A

ATOM
1309
H
GLU
144
16.184
12.241
3.445
0.00
0.00
A

ATOM
1310
CA
GLU
144
15.280
13.730
2.294
1.00
18.45
A

ATOM
1311
CB
GLU
144
14.026
13.441
3.091
1.00
18.11
A

ATOM
1312
CG
GLU
144
13.481
12.073
2.832
1.00
19.13
A

ATOM
1313
CD
GLU
144
12.336
11.712
3.738
1.00
23.33
A

ATOM
1314
OE1
GLU
144
11.694
10.678
3.472
1.00
25.00
A

ATOM
1315
OE2
GLU
144
12.060
12.443
4.722
1.00
25.62
A

ATOM
1316
C
GLU
144
15.743
15.156
2.556
1.00
19.58
A

ATOM
1317
O
GLU
144
15.238
16.092
1.946
1.00
21.53
A

ATOM
1318
N
GLY
145
16.712
15.327
3.445
1.00
19.19
A

ATOM
1319
H
GLY
145
17.111
14.566
3.918
0.00
0.00
A

ATOM
1320
CA
GLY
145
17.194
16.660
3.748
1.00
19.31
A

ATOM
1321
C
GLY
145
18.387
16.643
4.677
1.00
21.36
A

ATOM
1322
O
GLY
145
18.888
15.571
5.027
1.00
23.35
A

ATOM
1323
N
ILE
146
18.865
17.829
5.051
1.00
21.21
A

ATOM
1324
H
ILE
146
18.418
18.646
4.741
0.00
0.00
A

ATOM
1325
CA
ILE
146
20.009
17.966
5.949
1.00
18.25
A

ATOM
1326
CB
ILE
146
21.233
18.645
5.265
1.00
18.20
A

ATOM
1327
CG2
ILE
146
22.364
18.842
6.251
1.00
20.78
A

ATOM
1328
CG1
ILE
146
21.812
17.749
4.193
1.00
19.26
A

ATOM
1329
CD1
ILE
146
23.073
18.320
3.607
1.00
24.47
A

ATOM
1330
C
ILE
146
19.537
18.843
7.091
1.00
17.65
A

ATOM
1331
O
ILE
146
18.684
19.708
6.901
1.00
20.43
A

ATOM
1332
N
ALA
147
20.054
18.584
8.282
1.00
15.65
A

ATOM
1333
H
ALA
147
20.729
17.876
8.374
0.00
0.00
A

ATOM
1334
CA
ALA
147
19.703
19.345
9.461
1.00
12.77
A

ATOM
1335
CB
ALA
147
19.024
18.456
10.455
1.00
12.16
A

ATOM
1336
C
ALA
147
21.021
19.807
10.013
1.00
13.55
A

ATOM
1337
O
ALA
147
22.072
19.343
9.580
1.00
14.38
A

ATOM
1338
N
CYS
148
20.974
20.722
10.964
1.00
13.87
A

ATOM
1339
H
CYS
148
20.113
21.097
11.251
0.00
0.00
A

ATOM
1340
CA
CYS
148
22.186
21.217
11.589
1.00
15.60
A

ATOM
1341
CB
CYS
148
22.900
22.200
10.671
1.00
15.05
A

ATOM
1342
SG
CYS
148
24.511
22.723
11.286
1.00
25.21
A

ATOM
1343
C
CYS
148
21.850
21.891
12.910
1.00
16.64
A

ATOM
1344
O
CYS
148
20.796
22.517
13.062
1.00
17.23
A

ATOM
1345
N
GLU
149
22.724
21.709
13.884
1.00
17.44
A

ATOM
1346
H
GLU
149
23.523
21.164
13.736
0.00
0.00
A

ATOM
1347
CA
GLU
149
22.557
22.324
15.187
1.00
17.94
A

ATOM
1348
CB
GLU
149
22.441
21.278
16.259
1.00
17.70
A

ATOM
1349
CG
GLU
149
21.199
20.519
16.168
1.00
24.98
A

ATOM
1350
CD
GLU
149
20.778
20.057
17.503
1.00
26.55
A

ATOM
1351
OE1
GLU
149
20.475
20.920
18.341
1.00
26.17
A

ATOM
1352
OE2
GLU
149
20.821
18.842
17.725
1.00
34.31
A

ATOM
1353
C
GLU
149
23.796
23.111
15.470
1.00
17.70
A

ATOM
1354
O
GLU
149
24.859
22.794
14.943
1.00
17.36
A

ATOM
1355
N
ALA
150
23.685
24.099
16.344
1.00
17.69
A

ATOM
1356
H
ALA
150
22.814
24.307
16.747
0.00
0.00
A

ATOM
1357
CA
ALA
150
24.846
24.894
16.690
1.00
18.25
A

ATOM
1358
CB
ALA
150
25.084
25.953
15.636
1.00
17.97
A

ATOM
1359
C
ALA
150
24.669
25.556
18.023
1.00
17.97
A

ATOM
1360
O
ALA
150
23.548
25.830
18.433
1.00
16.74
A

ATOM
1361
N
VAL
151
25.774
25.741
18.728
1.00
17.92
A

ATOM
1362
H
VAL
151
26.641
25.431
18.386
0.00
0.00
A

ATOM
1363
CA
VAL
151
25.739
26.456
19.985
1.00
18.61
A

ATOM
1364
CB
VAL
151
26.019
25.593
21.217
1.00
17.01
A

ATOM
1365
CG1
VAL
151
24.862
24.622
21.452
1.00
15.64
A

ATOM
1366
CG2
VAL
151
27.365
24.919
21.108
1.00
11.72
A

ATOM
1367
C
VAL
151
26.818
27.505
19.849
1.00
21.12
A

ATOM
1368
O
VAL
151
27.759
27.329
19.066
1.00
23.68
A

ATOM
1369
N
ALA
152
26.635
28.611
20.566
1.00
22.06
A

ATOM
1370
H
ALA
152
25.845
28.666
21.148
0.00
0.00
A

ATOM
1371
CA
ALA
152
27.557
29.743
20.574
1.00
23.43
A

ATOM
1372
CB
ALA
152
27.054
30.837
19.647
1.00
21.26
A

ATOM
1373
C
ALA
152
27.674
30.296
21.990
1.00
24.19
A

ATOM
1374
O
ALA
152
26.752
30.167
22.799
1.00
25.64
A

ATOM
1375
N
LEU
153
28.822
30.884
22.292
1.00
24.75
A

ATOM
1376
H
LEU
153
29.528
30.933
21.618
0.00
0.00
A

ATOM
1377
CA
LEU
153
29.051
31.482
23.590
1.00
24.84
A

ATOM
1378
CB
LEU
153
30.117
30.699
24.331
1.00
23.99
A

ATOM
1379
CG
LEU
153
30.070
30.808
25.847
1.00
27.53
A

ATOM
1380
CD1
LEU
153
30.862
29.682
26.466
1.00
28.78
A

ATOM
1381
CD2
LEU
153
30.635
32.138
26.278
1.00
31.63
A

ATOM
1382
C
LEU
153
29.540
32.896
23.299
1.00
27.24
A

ATOM
1383
O
LEU
153
30.502
33.061
22.555
1.00
29.53
A

ATOM
1384
N
LEU
154
28.822
33.907
23.781
1.00
25.19
A

ATOM
1385
H
LEU
154
28.015
33.736
24.267
0.00
0.00
A

ATOM
1386
CA
LEU
154
29.223
35.288
23.583
1.00
23.68
A

ATOM
1387
CB
LEU
154
28.062
36.137
23.121
1.00
20.76
A

ATOM
1388
CG
LEU
154
27.413
35.758
21.806
1.00
19.25
A

ATOM
1389
CD1
LEU
154
26.218
36.653
21.599
1.00
17.69
A

ATOM
1390
CD2
LEU
154
28.399
35.882
20.674
1.00
19.58
A

ATOM
1391
C
LEU
154
29.742
35.834
24.899
1.00
24.69
A

ATOM
1392
O
LEU
154
29.406
35.346
25.969
1.00
22.83
A

ATOM
1393
N
ILE
155
30.541
36.880
24.810
1.00
27.74
A

ATOM
1394
H
ILE
155
30.723
37.273
23.939
0.00
0.00
A

ATOM
1395
CA
ILE
155
31.142
37.490
25.976
1.00
31.15
A

ATOM
1396
CB
ILE
155
32.642
37.532
25.806
1.00
32.47
A

ATOM
1397
CG2
ILE
155
33.282
38.182
26.991
1.00
34.48
A

ATOM
1398
CG1
ILE
155
33.180
36.123
25.662
1.00
32.67
A

ATOM
1399
CD1
ILE
155
34.623
36.121
25.301
1.00
37.00
A

ATOM
1400
C
ILE
155
30.646
38.910
26.176
1.00
32.68
A

ATOM
1401
O
ILE
155
30.360
39.610
25.207
1.00
37.28
A

ATOM
1402
N1
CDP
669
8.765
30.671
12.490
1.00
27.96
A

ATOM
1403
C2
CDP
669
7.666
30.747
13.343
1.00
27.87
A

ATOM
1404
N3
CDP
669
6.934
29.670
13.731
1.00
26.00
A

ATOM
1405
C4
CDP
669
7.264
28.449
13.288
1.00
22.26
A

ATOM
1406
C5
CDP
669
8.355
28.298
12.437
1.00
22.12
A

ATOM
1407
C6
CDP
669
9.063
29.436
12.072
1.00
25.79
A

ATOM
1408
O2
CDP
669
7.283
31.831
13.803
1.00
32.85
A

ATOM
1409
N4
CDP
669
6.526
27.405
13.686
1.00
20.28
A

ATOM
1410
C1*
CDP
669
9.535
31.902
12.073
1.00
28.43
A

ATOM
1411
C2*
CDP
669
10.949
32.015
12.552
1.00
31.97
A

ATOM
1412
O2*
CDP
669
11.191
33.371
12.818
1.00
32.98
A

ATOM
1413
C3*
CDP
669
11.782
31.485
11.430
1.00
33.34
A

ATOM
1414
C4*
CDP
669
10.884
31.537
10.220
1.00
31.39
A

ATOM
1415
O4*
CDP
669
9.635
32.019
10.681
1.00
30.34
A

ATOM
1416
O3*
CDP
669
12.903
32.274
11.102
1.00
36.84
A

ATOM
1417
C5*
CDP
669
10.952
30.150
9.873
1.00
34.19
A

ATOM
1418
O5*
CDP
669
11.300
29.973
8.578
1.00
34.24
A

ATOM
1419
PA
CDP
669
11.976
28.573
8.200
1.00
32.45
A

ATOM
1420
O1A
CDP
669
11.485
27.486
9.152
1.00
34.55
A

ATOM
1421
O2A
CDP
669
11.518
28.353
6.719
1.00
42.80
A

ATOM
1422
O3A
CDP
669
13.607
28.683
8.308
1.00
37.96
A

ATOM
1423
PB
CDP
669
14.479
29.278
7.006
1.00
34.00
A

ATOM
1424
O1B
CDP
669
13.762
28.981
5.588
1.00
43.45
A

ATOM
1425
O2B
CDP
669
15.860
28.582
7.073
1.00
34.07
A

ATOM
1426
O3B
CDP
669
14.649
30.931
7.180
1.00
42.04
A

ATOM
1427
MG
MG
700
12.163
27.874
4.768
1.00
50.22
A

ATOM
1428
ZN
ZN
156
17.511
27.631
6.826
1.00
36.94
A

END

[0235]

7

ANNEX 3

Coordinates of structure nat2

ATOM
1
CB
MET
1
30.140
34.301
29.540
1.00
62.77
A

ATOM
2
CG
MET
1
31.544
34.436
29.021
1.00
71.56
A

ATOM
3
SD
MET
1
32.531
33.052
29.566
1.00
86.03
A

ATOM
4
CE
MET
1
33.774
33.930
30.653
1.00
85.87
A

ATOM
5
C
MET
1
27.846
35.000
28.932
1.00
52.35
A

ATOM
6
O
MET
1
27.090
34.746
29.866
1.00
52.83
A

ATOM
7
HT1
MET
1
28.854
36.060
31.062
0.00
0.00
A

ATOM
8
HT2
MET
1
28.712
37.322
29.960
0.00
0.00
A

ATOM
9
N
MET
1
29.312
36.528
30.249
1.00
56.90
A

ATOM
10
HT3
MET
1
30.281
36.812
30.470
0.00
0.00
A

ATOM
11
CA
MET
1
29.258
35.482
29.182
1.00
56.44
A

ATOM
12
N
ARG
2
27.486
34.878
27.667
1.00
48.20
A

ATOM
13
H
ARG
2
28.098
35.002
26.920
0.00
0.00
A

ATOM
14
CA
ARG
2
26.154
34.446
27.331
1.00
45.75
A

ATOM
15
CB
ARG
2
25.363
35.615
26.753
1.00
44.19
A

ATOM
16
CG
ARG
2
25.059
36.641
27.829
1.00
44.31
A

ATOM
17
CD
ARG
2
24.190
37.785
27.364
1.00
47.19
A

ATOM
18
NE
ARG
2
22.872
37.366
26.895
1.00
50.07
A

ATOM
19
HE
ARG
2
22.866
36.750
26.130
0.00
0.00
A

ATOM
20
CZ
ARG
2
21.712
37.732
27.440
1.00
50.67
A

ATOM
21
NH1
ARG
2
20.581
37.297
26.902
1.00
51.57
A

ATOM
22
HH11
ARG
2
20.582
36.689
26.102
0.00
0.00
A

ATOM
23
HH12
ARG
2
19.697
37.588
27.282
0.00
0.00
A

ATOM
24
NH2
ARG
2
21.678
38.455
28.557
1.00
50.01
A

ATOM
25
HH21
ARG
2
22.492
38.731
29.063
0.00
0.00
A

ATOM
26
HH22
ARG
2
20.808
38.737
29.004
0.00
0.00
A

ATOM
27
C
ARG
2
26.196
33.246
26.415
1.00
44.37
A

ATOM
28
O
ARG
2
27.136
33.085
25.647
1.00
45.40
A

ATOM
29
N
ILE
3
25.203
32.375
26.554
1.00
43.25
A

ATOM
30
H
ILE
3
24.447
32.593
27.131
0.00
0.00
A

ATOM
31
CA
ILE
3
25.112
31.151
25.772
1.00
42.27
A

ATOM
32
CB
ILE
3
24.856
29.959
26.706
1.00
43.01
A

ATOM
33
CG2
ILE
3
23.496
30.094
27.361
1.00
43.45
A

ATOM
34
CG1
ILE
3
24.923
28.644
25.939
1.00
44.97
A

ATOM
35
CD1
ILE
3
24.653
27.445
26.812
1.00
45.63
A

ATOM
36
C
ILE
3
23.975
31.246
24.756
1.00
40.63
A

ATOM
37
O
ILE
3
22.954
31.858
25.031
1.00
41.01
A

ATOM
38
N
GLY
4
24.151
30.643
23.589
1.00
38.67
A

ATOM
39
H
GLY
4
24.977
30.149
23.400
0.00
0.00
A

ATOM
40
CA
GLY
4
23.113
30.687
22.579
1.00
35.77
A

ATOM
41
C
GLY
4
22.999
29.343
21.905
1.00
35.14
A

ATOM
42
O
GLY
4
23.943
28.554
21.935
1.00
37.50
A

ATOM
43
N
HIS
5
21.847
29.064
21.315
1.00
32.87
A

ATOM
44
H
HIS
5
21.146
29.739
21.334
0.00
0.00
A

ATOM
45
CA
HIS
5
21.627
27.805
20.628
1.00
30.15
A

ATOM
46
CB
HIS
5
20.881
26.823
21.513
1.00
26.75
A

ATOM
47
CG
HIS
5
20.425
25.594
20.790
1.00
25.34
A

ATOM
48
CD2
HIS
5
21.045
24.413
20.556
1.00
23.75
A

ATOM
49
ND1
HIS
5
19.185
25.501
20.195
1.00
25.21
A

ATOM
50
HD1
HIS
5
18.459
26.167
20.191
0.00
0.00
A

ATOM
51
CE1
HIS
5
19.061
24.314
19.625
1.00
28.23
A

ATOM
52
NE2
HIS
5
20.175
23.635
19.831
1.00
26.45
A

ATOM
53
HE2
HIS
5
20.239
22.678
19.581
0.00
0.00
A

ATOM
54
C
HIS
5
20.802
28.026
19.392
1.00
31.54
A

ATOM
55
O
HIS
5
19.802
28.752
19.433
1.00
33.18
A

ATOM
56
N
GLY
6
21.161
27.320
18.325
1.00
30.21
A

ATOM
57
H
GLY
6
21.926
26.703
18.359
0.00
0.00
A

ATOM
58
CA
GLY
6
20.438
27.443
17.077
1.00
28.34
A

ATOM
59
C
GLY
6
20.159
26.086
16.478
1.00
29.12
A

ATOM
60
O
GLY
6
20.744
25.092
16.903
1.00
31.64
A

ATOM
61
N
PHE
7
19.251
26.038
15.512
1.00
29.14
A

ATOM
62
H
PHE
7
18.792
26.850
15.189
0.00
0.00
A

ATOM
63
CA
PHE
7
18.904
24.793
14.854
1.00
29.11
A

ATOM
64
CB
PHE
7
17.959
23.999
15.738
1.00
27.39
A

ATOM
65
CG
PHE
7
17.413
22.780
15.085
1.00
26.39
A

ATOM
66
CD1
PHE
7
18.120
21.595
15.114
1.00
25.61
A

ATOM
67
CD2
PHE
7
16.205
22.828
14.403
1.00
29.51
A

ATOM
68
CE1
PHE
7
17.640
20.468
14.468
1.00
27.83
A

ATOM
69
CE2
PHE
7
15.712
21.706
13.751
1.00
30.69
A

ATOM
70
CZ
PHE
7
16.435
20.519
13.782
1.00
28.48
A

ATOM
71
C
PHE
7
18.223
25.114
13.532
1.00
32.26
A

ATOM
72
O
PHE
7
17.411
26.037
13.474
1.00
35.80
A

ATOM
73
N
ASP
8
18.525
24.339
12.490
1.00
32.86
A

ATOM
74
H
ASP
8
19.160
23.597
12.592
0.00
0.00
A

ATOM
75
CA
ASP
8
17.936
24.568
11.179
1.00
32.25
A

ATOM
76
CB
ASP
8
18.681
25.694
10.482
1.00
33.50
A

ATOM
77
CG
ASP
8
17.944
26.222
9.275
1.00
36.43
A

ATOM
78
OD1
ASP
8
18.617
26.760
8.371
1.00
41.07
A

ATOM
79
OD2
ASP
8
16.699
26.111
9.217
1.00
37.63
A

ATOM
80
C
ASP
8
17.917
23.319
10.299
1.00
32.59
A

ATOM
81
O
ASP
8
18.771
22.444
10.431
1.00
33.62
A

ATOM
82
N
VAL
9
16.944
23.256
9.394
1.00
33.03
A

ATOM
83
H
VAL
9
16.332
24.028
9.326
0.00
0.00
A

ATOM
84
CA
VAL
9
16.747
22.135
8.477
1.00
31.99
A

ATOM
85
CB
VAL
9
15.612
21.226
8.990
1.00
31.14
A

ATOM
86
CG1
VAL
9
15.233
20.185
7.971
1.00
32.63
A

ATOM
87
CG2
VAL
9
16.035
20.549
10.247
1.00
34.83
A

ATOM
88
C
VAL
9
16.324
22.662
7.104
1.00
34.09
A

ATOM
89
O
VAL
9
15.688
23.706
7.008
1.00
35.20
A

ATOM
90
N
HIS
10
16.743
21.987
6.039
1.00
36.07
A

ATOM
91
H
HIS
10
17.326
21.204
6.174
0.00
0.00
A

ATOM
92
CA
HIS
10
16.360
22.355
4.672
1.00
35.99
A

ATOM
93
CB
HIS
10
17.366
23.290
4.008
1.00
34.78
A

ATOM
94
CG
HIS
10
17.268
24.704
4.481
1.00
36.65
A

ATOM
95
CD2
HIS
10
18.036
25.414
5.343
1.00
37.64
A

ATOM
96
ND1
HIS
10
16.249
25.544
4.096
1.00
36.14
A

ATOM
97
HD1
HIS
10
15.476
25.321
3.512
0.00
0.00
A

ATOM
98
CE1
HIS
10
16.389
26.710
4.704
1.00
39.69
A

ATOM
99
NE2
HIS
10
17.467
26.658
5.468
1.00
42.02
A

ATOM
100
C
HIS
10
16.207
21.081
3.865
1.00
37.13
A

ATOM
101
O
HIS
10
16.949
20.115
4.055
1.00
38.06
A

ATOM
102
N
ALA
11
15.191
21.060
3.018
1.00
37.06
A

ATOM
103
H
ALA
11
14.606
21.839
2.926
0.00
0.00
A

ATOM
104
CA
ALA
11
14.912
19.900
2.206
1.00
36.98
A

ATOM
105
CB
ALA
11
13.455
19.878
1.866
1.00
39.16
A

ATOM
106
C
ALA
11
15.740
19.888
0.937
1.00
38.77
A

ATOM
107
O
ALA
11
16.118
20.942
0.419
1.00
40.53
A

ATOM
108
N
PHE
12
16.034
18.697
0.434
1.00
38.72
A

ATOM
109
H
PHE
12
15.701
17.886
0.875
0.00
0.00
A

ATOM
110
CA
PHE
12
16.801
18.591
−0.795
1.00
38.34
A

ATOM
111
CB
PHE
12
17.366
17.176
−0.975
1.00
35.93
A

ATOM
112
CG
PHE
12
18.642
16.917
−0.220
1.00
31.92
A

ATOM
113
CD1
PHE
12
19.728
17.771
−0.341
1.00
30.66
A

ATOM
114
CD2
PHE
12
18.757
15.814
0.608
1.00
29.77
A

ATOM
115
CE1
PHE
12
20.905
17.531
0.354
1.00
27.66
A

ATOM
116
CE2
PHE
12
19.932
15.570
1.301
1.00
29.10
A

ATOM
117
CZ
PHE
12
21.006
16.436
1.170
1.00
27.45
A

ATOM
118
C
PHE
12
15.857
18.913
−1.942
1.00
40.43
A

ATOM
119
O
PHE
12
14.657
18.655
−1.871
1.00
39.30
A

ATOM
120
N
GLY
13
16.406
19.481
−3.000
1.00
44.48
A

ATOM
121
H
GLY
13
17.356
19.697
−3.025
0.00
0.00
A

ATOM
122
CA
GLY
13
15.600
19.814
−4.154
1.00
50.14
A

ATOM
123
C
GLY
13
16.437
20.444
−5.247
1.00
54.20
A

ATOM
124
O
GLY
13
17.390
21.187
−4.978
1.00
55.14
A

ATOM
125
N
GLY
14
16.094
20.133
−6.489
1.00
57.43
A

ATOM
126
H
GLY
14
15.372
19.497
−6.653
0.00
0.00
A

ATOM
127
CA
GLY
14
16.829
20.689
−7.606
1.00
63.17
A

ATOM
128
C
GLY
14
18.170
20.016
−7.777
1.00
66.47
A

ATOM
129
O
GLY
14
18.414
18.934
−7.232
1.00
66.67
A

ATOM
130
N
GLU
15
19.038
20.655
−8.544
1.00
69.62
A

ATOM
131
H
GLU
15
18.822
21.511
−8.952
0.00
0.00
A

ATOM
132
CA
GLU
15
20.356
20.101
−8.788
1.00
72.31
A

ATOM
133
CB
GLU
15
20.812
20.411
−10.220
1.00
80.07
A

ATOM
134
CG
GLU
15
20.034
19.669
−11.300
1.00
89.59
A

ATOM
135
CD
GLU
15
20.091
18.154
−11.118
1.00
96.50
A

ATOM
136
OE1
GLU
15
19.094
17.581
−10.607
1.00
99.80
A

ATOM
137
OE2
GLU
15
21.132
17.545
−11.478
1.00
99.27
A

ATOM
138
C
GLU
15
21.331
20.686
−7.791
1.00
68.91
A

ATOM
139
O
GLU
15
21.087
21.768
−7.246
1.00
69.73
A

ATOM
140
N
GLY
16
22.407
19.949
−7.531
1.00
64.49
A

ATOM
141
H
GLY
16
22.496
19.075
−7.979
0.00
0.00
A

ATOM
142
CA
GLY
16
23.428
20.411
−6.609
1.00
58.55
A

ATOM
143
C
GLY
16
24.292
21.484
−7.249
1.00
53.32
A

ATOM
144
O
GLY
16
23.993
21.932
−8.357
1.00
53.53
A

ATOM
145
N
CPR
17
25.374
21.918
−6.591
1.00
46.80
A

ATOM
146
CD
CPR
17
26.035
23.151
−7.053
1.00
42.93
A

ATOM
147
CA
CPR
17
25.901
21.523
−5.293
1.00
44.04
A

ATOM
148
CB
CPR
17
27.294
22.114
−5.341
1.00
44.54
A

ATOM
149
CG
CPR
17
27.013
23.457
−5.940
1.00
41.76
A

ATOM
150
C
CPR
17
25.094
22.201
−4.187
1.00
43.03
A

ATOM
151
O
CPR
17
24.143
22.950
−4.445
1.00
46.68
A

ATOM
152
N
ILE
18
25.479
21.948
−2.951
1.00
37.16
A

ATOM
153
H
ILE
18
26.241
21.369
−2.774
0.00
0.00
A

ATOM
154
CA
ILE
18
24.808
22.563
−1.845
1.00
31.91
A

ATOM
155
CB
ILE
18
24.440
21.529
−0.760
1.00
30.83
A

ATOM
156
CG2
ILE
18
23.536
20.468
−1.317
1.00
31.47
A

ATOM
157
CG1
ILE
18
25.673
20.837
−0.210
1.00
29.48
A

ATOM
158
CD1
ILE
18
25.302
19.795
0.814
1.00
32.94
A

ATOM
159
C
ILE
18
25.816
23.554
−1.304
1.00
33.54
A

ATOM
160
O
ILE
18
26.980
23.556
−1.725
1.00
34.41
A

ATOM
161
N
ILE
19
25.371
24.427
−0.409
1.00
32.41
A

ATOM
162
H
ILE
19
24.434
24.441
−0.124
0.00
0.00
A

ATOM
163
CA
ILE
19
26.265
25.388
0.195
1.00
29.98
A

ATOM
164
CB
ILE
19
25.855
26.791
−0.139
1.00
30.00
A

ATOM
165
CG2
ILE
19
26.918
27.740
0.300
1.00
30.41
A

ATOM
166
CG1
ILE
19
25.656
26.941
−1.643
1.00
32.92
A

ATOM
167
CD1
ILE
19
26.917
27.008
−2.436
1.00
37.49
A

ATOM
168
C
ILE
19
26.103
25.193
1.681
1.00
30.86
A

ATOM
169
O
ILE
19
25.041
25.460
2.218
1.00
34.44
A

ATOM
170
N
ILE
20
27.134
24.676
2.335
1.00
30.07
A

ATOM
171
H
ILE
20
27.967
24.485
1.850
0.00
0.00
A

ATOM
172
CA
ILE
20
27.090
24.424
3.763
1.00
28.44
A

ATOM
173
CB
ILE
20
27.140
22.908
4.042
1.00
28.91
A

ATOM
174
CG2
ILE
20
27.087
22.636
5.527
1.00
28.51
A

ATOM
175
CG1
ILE
20
25.985
22.183
3.334
1.00
29.77
A

ATOM
176
CD1
ILE
20
24.615
22.466
3.883
1.00
24.66
A

ATOM
177
C
ILE
20
28.307
25.062
4.410
1.00
29.67
A

ATOM
178
O
ILE
20
29.427
24.704
4.076
1.00
30.62
A

ATOM
179
N
GLY
21
28.092
26.000
5.329
1.00
29.96
A

ATOM
180
H
GLY
21
27.184
26.281
5.520
0.00
0.00
A

ATOM
181
CA
GLY
21
29.200
26.651
6.009
1.00
29.89
A

ATOM
182
C
GLY
21
29.956
27.552
5.062
1.00
30.91
A

ATOM
183
O
GLY
21
31.137
27.838
5.242
1.00
30.52
A

ATOM
184
N
GLY
22
29.258
27.992
4.029
1.00
31.91
A

ATOM
185
H
GLY
22
28.308
27.755
3.938
0.00
0.00
A

ATOM
186
CA
GLY
22
29.864
28.855
3.044
1.00
32.74
A

ATOM
187
C
GLY
22
30.523
28.096
1.911
1.00
34.29
A

ATOM
188
O
GLY
22
30.752
28.669
0.843
1.00
38.86
A

ATOM
189
N
VAL
23
30.793
26.809
2.111
1.00
33.50
A

ATOM
190
H
VAL
23
30.534
26.379
2.953
0.00
0.00
A

ATOM
191
CA
VAL
23
31.451
26.001
1.089
1.00
31.63
A

ATOM
192
CB
VAL
23
32.303
24.884
1.715
1.00
29.95
A

ATOM
193
CG1
VAL
23
33.116
24.205
0.656
1.00
32.97
A

ATOM
194
CG2
VAL
23
33.219
25.435
2.786
1.00
29.27
A

ATOM
195
C
VAL
23
30.478
25.374
0.105
1.00
33.45
A

ATOM
196
O
VAL
23
29.415
24.877
0.484
1.00
35.64
A

ATOM
197
N
ARG
24
30.843
25.417
−1.170
1.00
35.41
A

ATOM
198
H
ARG
24
31.677
25.851
−1.374
0.00
0.00
A

ATOM
199
CA
ARG
24
30.025
24.852
−2.235
1.00
35.87
A

ATOM
200
CB
ARG
24
30.369
25.536
−3.551
1.00
37.53
A

ATOM
201
CG
ARG
24
29.267
25.507
−4.570
1.00
49.38
A

ATOM
202
CD
ARG
24
29.738
26.035
−5.930
1.00
59.51
A

ATOM
203
NE
ARG
24
28.660
26.620
−6.738
1.00
65.55
A

ATOM
204
HE
ARG
24
28.229
27.405
−6.329
0.00
0.00
A

ATOM
205
CZ
ARG
24
28.270
26.162
−7.927
1.00
68.74
A

ATOM
206
NH1
ARG
24
27.287
26.781
−8.576
1.00
70.59
A

ATOM
207
HH11
ARG
24
26.840
27.589
−8.180
0.00
0.00
A

ATOM
208
HH12
ARG
24
26.948
26.479
−9.470
0.00
0.00
A

ATOM
209
NH2
ARG
24
28.840
25.074
−8.458
1.00
72.50
A

ATOM
210
HH21
ARG
24
29.573
24.605
−7.958
0.00
0.00
A

ATOM
211
HH22
ARG
24
28.564
24.697
−9.343
0.00
0.00
A

ATOM
212
C
ARG
24
30.406
23.388
−2.291
1.00
34.25
A

ATOM
213
O
ARG
24
31.500
23.053
−2.739
1.00
37.81
A

ATOM
214
N
ILE
25
29.556
22.528
−1.749
1.00
32.42
A

ATOM
215
H
ILE
25
28.718
22.866
−1.372
0.00
0.00
A

ATOM
216
CA
ILE
25
29.836
21.096
−1.724
1.00
30.16
A

ATOM
217
CB
ILE
25
29.411
20.470
−0.396
1.00
28.34
A

ATOM
218
CG2
ILE
25
29.719
19.016
−0.413
1.00
27.27
A

ATOM
219
CG1
ILE
25
30.144
21.126
0.770
1.00
25.31
A

ATOM
220
CD1
ILE
25
29.649
20.681
2.099
1.00
21.21
A

ATOM
221
C
ILE
25
29.069
20.404
−2.828
1.00
31.39
A

ATOM
222
O
ILE
25
27.858
20.531
−2.921
1.00
34.30
A

ATOM
223
N
PRO
26
29.760
19.650
−3.679
1.00
31.82
A

ATOM
224
CD
PRO
26
31.209
19.404
−3.718
1.00
33.84
A

ATOM
225
CA
PRO
26
29.100
18.950
−4.776
1.00
31.70
A

ATOM
226
CB
PRO
26
30.280
18.406
−5.569
1.00
28.55
A

ATOM
227
CG
PRO
26
31.289
18.146
−4.538
1.00
29.11
A

ATOM
228
C
PRO
26
28.197
17.832
−4.294
1.00
33.75
A

ATOM
229
O
PRO
26
28.628
16.990
−3.500
1.00
35.64
A

ATOM
230
N
TYR
27
26.960
17.817
−4.794
1.00
35.20
A

ATOM
231
H
TYR
27
26.664
18.492
−5.439
0.00
0.00
A

ATOM
232
CA
TYR
27
25.976
16.796
−4.433
1.00
37.32
A

ATOM
233
CB
TYR
27
25.233
17.192
−3.159
1.00
36.46
A

ATOM
234
CG
TYR
27
24.426
16.076
−2.558
1.00
34.15
A

ATOM
235
CD1
TYR
27
24.982
14.818
−2.392
1.00
33.22
A

ATOM
236
CE1
TYR
27
24.246
13.773
−1.876
1.00
34.86
A

ATOM
237
CD2
TYR
27
23.100
16.270
−2.181
1.00
33.09
A

ATOM
238
CE2
TYR
27
22.352
15.233
−1.663
1.00
34.75
A

ATOM
239
CZ
TYR
27
22.934
13.982
−1.516
1.00
36.17
A

ATOM
240
OH
TYR
27
22.200
12.921
−1.041
1.00
39.92
A

ATOM
241
HH
TYR
27
22.752
12.129
−1.179
0.00
0.00
A

ATOM
242
C
TYR
27
24.980
16.664
−5.572
1.00
40.73
A

ATOM
243
O
TYR
27
24.791
17.612
−6.344
1.00
41.01
A

ATOM
244
N
GLU
28
24.344
15.498
−5.673
1.00
44.17
A

ATOM
245
H
GLU
28
24.544
14.807
−5.014
0.00
0.00
A

ATOM
246
CA
GLU
28
23.369
15.244
−6.741
1.00
47.93
A

ATOM
247
CB
GLU
28
22.718
13.871
−6.603
1.00
50.79
A

ATOM
248
CG
GLU
28
23.423
12.875
−5.701
1.00
59.51
A

ATOM
249
CD
GLU
28
22.436
11.873
−5.091
1.00
65.33
A

ATOM
250
OE1
GLU
28
22.879
10.915
−4.413
1.00
67.99
A

ATOM
251
OE2
GLU
28
21.205
12.064
−5.262
1.00
69.07
A

ATOM
252
C
GLU
28
22.263
16.280
−6.719
1.00
46.72
A

ATOM
253
O
GLU
28
22.055
17.013
−7.682
1.00
49.91
A

ATOM
254
N
LYS
29
21.545
16.309
−5.608
1.00
45.13
A

ATOM
255
H
LYS
29
21.818
15.700
−4.902
0.00
0.00
A

ATOM
256
CA
LYS
29
20.452
17.243
−5.413
1.00
42.09
A

ATOM
257
CB
LYS
29
19.300
16.547
−4.665
1.00
41.72
A

ATOM
258
CG
LYS
29
19.712
15.304
−3.854
1.00
43.47
A

ATOM
259
CD
LYS
29
18.495
14.489
−3.390
1.00
46.08
A

ATOM
260
CE
LYS
29
18.853
13.086
−2.815
1.00
46.96
A

ATOM
261
NZ
LYS
29
19.465
13.026
−1.442
1.00
42.08
A

ATOM
262
HZ1
LYS
29
18.830
13.418
−0.711
0.00
0.00
A

ATOM
263
HZ2
LYS
29
20.411
13.471
−1.418
0.00
0.00
A

ATOM
264
HZ3
LYS
29
19.628
12.025
−1.231
0.00
0.00
A

ATOM
265
C
LYS
29
20.975
18.458
−4.648
1.00
40.27
A

ATOM
266
O
LYS
29
22.098
18.443
−4.146
1.00
39.24
A

ATOM
267
N
GLY
30
20.198
19.532
−4.640
1.00
39.41
A

ATOM
268
H
GLY
30
19.353
19.520
−5.136
0.00
0.00
A

ATOM
269
CA
GLY
30
20.583
20.734
−3.927
1.00
38.30
A

ATOM
270
C
GLY
30
19.669
20.920
−2.732
1.00
39.51
A

ATOM
271
O
GLY
30
19.017
19.962
−2.296
1.00
39.66
A

ATOM
272
N
LEU
31
19.601
22.136
−2.195
1.00
38.98
A

ATOM
273
H
LEU
31
20.093
22.883
−2.596
0.00
0.00
A

ATOM
274
CA
LEU
31
18.745
22.401
−1.036
1.00
38.14
A

ATOM
275
CB
LEU
31
19.572
22.773
0.192
1.00
32.38
A

ATOM
276
CG
LEU
31
20.242
21.583
0.858
1.00
30.44
A

ATOM
277
CD1
LEU
31
20.983
22.007
2.087
1.00
29.64
A

ATOM
278
CD2
LEU
31
19.183
20.603
1.229
1.00
31.90
A

ATOM
279
C
LEU
31
17.731
23.485
−1.305
1.00
39.50
A

ATOM
280
O
LEU
31
18.066
24.547
−1.811
1.00
42.83
A

ATOM
281
N
LEU
32
16.482
23.205
−0.981
1.00
40.50
A

ATOM
282
H
LEU
32
16.278
22.334
−0.627
0.00
0.00
A

ATOM
283
CA
LEU
32
15.411
24.163
−1.172
1.00
41.87
A

ATOM
284
CB
LEU
32
14.092
23.426
−1.176
1.00
40.48
A

ATOM
285
CG
LEU
32
14.085
22.333
−2.224
1.00
40.86
A

ATOM
286
CD1
LEU
32
12.752
21.651
−2.203
1.00
43.18
A

ATOM
287
CD2
LEU
32
14.349
22.941
−3.578
1.00
39.76
A

ATOM
288
C
LEU
32
15.379
25.240
−0.094
1.00
43.44
A

ATOM
289
O
LEU
32
15.364
24.930
1.104
1.00
44.03
A

ATOM
290
N
ALA
33
15.348
26.501
−0.518
1.00
45.84
A

ATOM
291
H
ALA
33
15.397
26.718
−1.475
0.00
0.00
A

ATOM
292
CA
ALA
33
15.287
27.618
0.417
1.00
49.65
A

ATOM
293
CB
ALA
33
16.519
27.624
1.292
1.00
49.82
A

ATOM
294
C
ALA
33
15.106
28.985
−0.262
1.00
52.83
A

ATOM
295
O
ALA
33
15.309
29.114
−1.478
1.00
55.37
A

ATOM
296
N
HIS
34
14.683
29.981
0.530
1.00
53.59
A

ATOM
297
H
HIS
34
14.500
29.756
1.467
0.00
0.00
A

ATOM
298
CA
HIS
34
14.476
31.366
0.064
1.00
53.41
A

ATOM
299
CB
HIS
34
13.614
32.149
1.091
1.00
56.17
A

ATOM
300
CG
HIS
34
13.390
33.612
0.781
1.00
57.42
A

ATOM
301
CD2
HIS
34
13.729
34.728
1.478
1.00
57.47
A

ATOM
302
ND1
HIS
34
12.634
34.052
−0.287
1.00
56.97
A

ATOM
303
HD1
HIS
34
12.212
33.491
−0.972
0.00
0.00
A

ATOM
304
CE1
HIS
34
12.513
35.369
−0.230
1.00
56.53
A

ATOM
305
NE2
HIS
34
13.168
35.803
0.831
1.00
55.86
A

ATOM
306
HE2
HIS
34
13.161
36.726
1.177
0.00
0.00
A

ATOM
307
C
HIS
34
15.855
32.014
−0.139
1.00
52.27
A

ATOM
308
O
HIS
34
16.032
32.778
−1.077
1.00
52.50
A

ATOM
309
N
SER
35
16.802
31.728
0.759
1.00
50.62
A

ATOM
310
H
SER
35
16.613
31.127
1.503
0.00
0.00
A

ATOM
311
CA
SER
35
18.172
32.243
0.670
1.00
46.85
A

ATOM
312
CB
SER
35
18.750
32.417
2.070
1.00
46.29
A

ATOM
313
OG
SER
35
19.004
31.146
2.658
1.00
49.31
A

ATOM
314
HG
SER
35
19.952
31.005
2.449
0.00
0.00
A

ATOM
315
C
SER
35
18.939
31.133
−0.043
1.00
44.18
A

ATOM
316
O
SER
35
18.353
30.374
−0.805
1.00
46.39
A

ATOM
317
N
ASP
36
20.226
30.995
0.239
1.00
40.32
A

ATOM
318
H
ASP
36
20.729
31.624
0.802
0.00
0.00
A

ATOM
319
CA
ASP
36
21.012
29.937
−0.382
1.00
39.23
A

ATOM
320
CB
ASP
36
22.485
30.320
−0.390
1.00
36.86
A

ATOM
321
CG
ASP
36
22.994
30.620
0.977
1.00
38.88
A

ATOM
322
OD1
ASP
36
24.143
31.075
1.101
1.00
42.63
A

ATOM
323
OD2
ASP
36
22.230
30.418
1.945
1.00
42.58
A

ATOM
324
C
ASP
36
20.805
28.619
0.379
1.00
38.60
A

ATOM
325
O
ASP
36
21.441
27.600
0.086
1.00
42.48
A

ATOM
326
N
GLY
37
19.971
28.667
1.409
1.00
35.01
A

ATOM
327
H
GLY
37
19.569
29.519
1.627
0.00
0.00
A

ATOM
328
CA
GLY
37
19.684
27.473
2.172
1.00
31.19
A

ATOM
329
C
GLY
37
20.830
26.842
2.918
1.00
29.85
A

ATOM
330
O
GLY
37
20.766
25.659
3.236
1.00
29.67
A

ATOM
331
N
ASP
38
21.839
27.636
3.252
1.00
28.70
A

ATOM
332
H
ASP
38
21.889
28.565
2.931
0.00
0.00
A

ATOM
333
CA
ASP
38
22.999
27.155
4.002
1.00
28.19
A

ATOM
334
CB
ASP
38
24.071
28.244
4.004
1.00
27.80
A

ATOM
335
CG
ASP
38
25.395
27.775
4.550
1.00
29.98
A

ATOM
336
OD1
ASP
38
25.436
26.918
5.456
1.00
31.73
A

ATOM
337
OD2
ASP
38
26.424
28.299
4.091
1.00
34.12
A

ATOM
338
C
ASP
38
22.595
26.821
5.446
1.00
30.24
A

ATOM
339
O
ASP
38
22.688
27.668
6.339
1.00
33.72
A

ATOM
340
N
VAL
39
22.132
25.594
5.679
1.00
29.74
A

ATOM
341
H
VAL
39
22.108
25.005
4.893
0.00
0.00
A

ATOM
342
CA
VAL
39
21.710
25.159
7.012
1.00
26.14
A

ATOM
343
CB
VAL
39
21.446
23.659
7.067
1.00
24.10
A

ATOM
344
CG1
VAL
39
20.656
23.328
8.279
1.00
28.91
A

ATOM
345
CG2
VAL
39
20.678
23.226
5.890
1.00
26.10
A

ATOM
346
C
VAL
39
22.731
25.458
8.092
1.00
26.31
A

ATOM
347
O
VAL
39
22.379
25.982
9.134
1.00
30.63
A

ATOM
348
N
ALA
40
23.999
25.176
7.830
1.00
25.68
A

ATOM
349
H
ALA
40
24.233
24.873
6.929
0.00
0.00
A

ATOM
350
CA
ALA
40
25.054
25.395
8.820
1.00
25.20
A

ATOM
351
CB
ALA
40
26.416
25.035
8.245
1.00
23.66
A

ATOM
352
C
ALA
40
25.100
26.810
9.336
1.00
24.88
A

ATOM
353
O
ALA
40
25.121
27.044
10.535
1.00
25.00
A

ATOM
354
N
LEU
41
25.115
27.768
8.431
1.00
26.04
A

ATOM
355
H
LEU
41
25.048
27.557
7.467
0.00
0.00
A

ATOM
356
CA
LEU
41
25.207
29.141
8.868
1.00
27.53
A

ATOM
357
CB
LEU
41
25.740
30.025
7.753
1.00
27.17
A

ATOM
358
CG
LEU
41
27.108
29.607
7.223
1.00
27.91
A

ATOM
359
CD1
LEU
41
27.569
30.617
6.201
1.00
31.11
A

ATOM
360
CD2
LEU
41
28.107
29.523
8.350
1.00
29.30
A

ATOM
361
C
LEU
41
23.931
29.701
9.478
1.00
30.47
A

ATOM
362
O
LEU
41
23.998
30.575
10.343
1.00
32.41
A

ATOM
363
N
HIS
42
22.767
29.199
9.075
1.00
30.55
A

ATOM
364
H
HIS
42
22.784
28.494
8.391
0.00
0.00
A

ATOM
365
CA
HIS
42
21.541
29.703
9.687
1.00
29.53
A

ATOM
366
CB
HIS
42
20.300
29.144
9.035
1.00
30.33
A

ATOM
367
CG
HIS
42
20.127
29.581
7.626
1.00
32.60
A

ATOM
368
CD2
HIS
42
20.790
30.513
6.905
1.00
33.16
A

ATOM
369
ND1
HIS
42
19.199
29.015
6.779
1.00
40.31
A

ATOM
370
CE1
HIS
42
19.305
29.584
5.589
1.00
38.43
A

ATOM
371
NE2
HIS
42
20.262
30.493
5.640
1.00
34.59
A

ATOM
372
HE2
HIS
42
20.618
31.054
4.902
0.00
0.00
A

ATOM
373
C
HIS
42
21.560
29.300
11.136
1.00
28.70
A

ATOM
374
O
HIS
42
21.321
30.125
11.998
1.00
30.99
A

ATOM
375
N
ALA
43
21.910
28.051
11.411
1.00
26.33
A

ATOM
376
H
ALA
43
22.140
27.422
10.690
0.00
0.00
A

ATOM
377
CA
ALA
43
21.958
27.604
12.785
1.00
27.10
A

ATOM
378
CB
ALA
43
22.269
26.148
12.849
1.00
29.62
A

ATOM
379
C
ALA
43
22.985
28.419
13.573
1.00
29.27
A

ATOM
380
O
ALA
43
22.696
28.891
14.672
1.00
31.69
A

ATOM
381
N
LEU
44
24.172
28.620
13.011
1.00
29.91
A

ATOM
382
H
LEU
44
24.370
28.225
12.135
0.00
0.00
A

ATOM
383
CA
LEU
44
25.190
29.406
13.705
1.00
29.86
A

ATOM
384
CB
LEU
44
26.479
29.484
12.881
1.00
26.00
A

ATOM
385
CG
LEU
44
27.587
30.381
13.437
1.00
23.44
A

ATOM
386
CD1
LEU
44
27.957
29.926
14.834
1.00
21.62
A

ATOM
387
CD2
LEU
44
28.802
30.343
12.522
1.00
19.96
A

ATOM
388
C
LEU
44
24.636
30.808
13.969
1.00
31.04
A

ATOM
389
O
LEU
44
24.715
31.315
15.082
1.00
34.25
A

ATOM
390
N
THR
45
24.023
31.406
12.957
1.00
30.25
A

ATOM
391
H
THR
45
23.932
30.955
12.103
0.00
0.00
A

ATOM
392
CA
THR
45
23.454
32.730
13.092
1.00
30.88
A

ATOM
393
CB
THR
45
22.706
33.124
11.816
1.00
32.62
A

ATOM
394
OG1
THR
45
23.614
33.118
10.705
1.00
35.22
A

ATOM
395
HG1
THR
45
24.335
33.729
10.867
0.00
0.00
A

ATOM
396
CG2
THR
45
22.065
34.502
11.966
1.00
32.65
A

ATOM
397
C
THR
45
22.494
32.799
14.286
1.00
32.31
A

ATOM
398
O
THR
45
22.683
33.610
15.182
1.00
35.22
A

ATOM
399
N
ASP
46
21.488
31.937
14.322
1.00
31.17
A

ATOM
400
H
ASP
46
21.344
31.291
13.598
0.00
0.00
A

ATOM
401
CA
ASP
46
20.542
31.949
15.423
1.00
30.62
A

ATOM
402
CB
ASP
46
19.520
30.853
15.265
1.00
32.40
A

ATOM
403
CG
ASP
46
18.434
31.218
14.333
1.00
34.20
A

ATOM
404
OD1
ASP
46
17.575
30.353
14.049
1.00
38.98
A

ATOM
405
OD2
ASP
46
18.441
32.372
13.884
1.00
36.02
A

ATOM
406
C
ASP
46
21.186
31.759
16.768
1.00
32.47
A

ATOM
407
O
ASP
46
20.675
32.255
17.773
1.00
33.35
A

ATOM
408
N
ALA
47
22.261
30.978
16.805
1.00
30.81
A

ATOM
409
H
ALA
47
22.579
30.573
15.968
0.00
0.00
A

ATOM
410
CA
ALA
47
22.943
30.723
18.060
1.00
32.11
A

ATOM
411
CB
ALA
47
23.993
29.682
17.879
1.00
35.31
A

ATOM
412
C
ALA
47
23.556
32.008
18.588
1.00
32.83
A

ATOM
413
O
ALA
47
23.509
32.274
19.791
1.00
34.02
A

ATOM
414
N
LEU
48
24.128
32.795
17.681
1.00
30.84
A

ATOM
415
H
LEU
48
24.134
32.492
16.745
0.00
0.00
A

ATOM
416
CA
LEU
48
24.739
34.071
18.025
1.00
30.17
A

ATOM
417
CB
LEU
48
25.553
34.592
16.844
1.00
28.10
A

ATOM
418
CG
LEU
48
26.809
33.774
16.530
1.00
30.19
A

ATOM
419
CD1
LEU
48
27.344
34.148
15.158
1.00
27.92
A

ATOM
420
CD2
LEU
48
27.875
33.981
17.630
1.00
26.45
A

ATOM
421
C
LEU
48
23.647
35.070
18.404
1.00
31.67
A

ATOM
422
O
LEU
48
23.694
35.665
19.476
1.00
34.50
A

ATOM
423
N
LEU
49
22.649
35.239
17.541
1.00
32.36
A

ATOM
424
H
LEU
49
22.656
34.735
16.704
0.00
0.00
A

ATOM
425
CA
LEU
49
21.544
36.147
17.824
1.00
31.40
A

ATOM
426
CB
LEU
49
20.468
36.059
16.749
1.00
31.09
A

ATOM
427
CG
LEU
49
20.777
36.715
15.410
1.00
32.22
A

ATOM
428
CD1
LEU
49
19.570
36.601
14.491
1.00
33.49
A

ATOM
429
CD2
LEU
49
21.125
38.172
15.637
1.00
31.20
A

ATOM
430
C
LEU
49
20.938
35.728
19.144
1.00
32.06
A

ATOM
431
O
LEU
49
20.652
36.561
19.985
1.00
32.69
A

ATOM
432
N
GLY
50
20.781
34.423
19.328
1.00
32.56
A

ATOM
433
H
GLY
50
21.056
33.819
18.619
0.00
0.00
A

ATOM
434
CA
GLY
50
20.219
33.899
20.561
1.00
35.79
A

ATOM
435
C
GLY
50
20.976
34.321
21.814
1.00
36.88
A

ATOM
436
O
GLY
50
20.386
34.829
22.766
1.00
40.51
A

ATOM
437
N
ALA
51
22.287
34.130
21.819
1.00
35.88
A

ATOM
438
H
ALA
51
22.714
33.708
21.043
0.00
0.00
A

ATOM
439
CA
ALA
51
23.085
34.507
22.965
1.00
33.52
A

ATOM
440
CB
ALA
51
24.498
34.074
22.761
1.00
33.00
A

ATOM
441
C
ALA
51
23.012
36.017
23.200
1.00
34.92
A

ATOM
442
O
ALA
51
22.999
36.478
24.339
1.00
36.43
A

ATOM
443
N
ALA
52
22.931
36.791
22.130
1.00
34.18
A

ATOM
444
H
ALA
52
22.938
36.379
21.237
0.00
0.00
A

ATOM
445
CA
ALA
52
22.850
38.240
22.262
1.00
35.75
A

ATOM
446
CB
ALA
52
23.336
38.898
20.985
1.00
36.63
A

ATOM
447
C
ALA
52
21.432
38.719
22.576
1.00
35.92
A

ATOM
448
O
ALA
52
21.192
39.915
22.712
1.00
38.03
A

ATOM
449
N
ALA
53
20.498
37.784
22.686
1.00
36.22
A

ATOM
450
H
ALA
53
20.743
36.842
22.572
0.00
0.00
A

ATOM
451
CA
ALA
53
19.087
38.089
22.940
1.00
36.19
A

ATOM
452
CB
ALA
53
18.901
38.734
24.293
1.00
37.51
A

ATOM
453
C
ALA
53
18.509
38.971
21.845
1.00
36.35
A

ATOM
454
O
ALA
53
17.726
39.870
22.106
1.00
39.81
A

ATOM
455
N
LEU
54
18.911
38.717
20.609
1.00
36.46
A

ATOM
456
H
LEU
54
19.550
37.995
20.460
0.00
0.00
A

ATOM
457
CA
LEU
54
18.416
39.485
19.487
1.00
34.04
A

ATOM
458
CB
LEU
54
19.562
39.971
18.616
1.00
33.54
A

ATOM
459
CG
LEU
54
20.483
40.981
19.291
1.00
31.52
A

ATOM
460
CD1
LEU
54
21.641
41.288
18.387
1.00
32.68
A

ATOM
461
CD2
LEU
54
19.720
42.233
19.583
1.00
29.52
A

ATOM
462
C
LEU
54
17.401
38.709
18.664
1.00
35.10
A

ATOM
463
O
LEU
54
17.046
39.115
17.556
1.00
37.92
A

ATOM
464
N
GLY
55
16.918
37.600
19.206
1.00
35.75
A

ATOM
465
H
GLY
55
17.225
37.273
20.080
0.00
0.00
A

ATOM
466
CA
GLY
55
15.902
36.832
18.512
1.00
36.80
A

ATOM
467
C
GLY
55
16.385
35.718
17.633
1.00
38.78
A

ATOM
468
O
GLY
55
17.022
34.772
18.093
1.00
39.32
A

ATOM
469
N
ASP
56
16.011
35.795
16.372
1.00
42.32
A

ATOM
470
H
ASP
56
15.447
36.514
16.028
0.00
0.00
A

ATOM
471
CA
ASP
56
16.417
34.794
15.420
1.00
46.79
A

ATOM
472
CB
ASP
56
15.500
33.551
15.466
1.00
48.59
A

ATOM
473
CG
ASP
56
14.098
33.795
14.916
1.00
50.08
A

ATOM
474
OD1
ASP
56
13.929
34.568
13.956
1.00
50.66
A

ATOM
475
OD2
ASP
56
13.149
33.160
15.421
1.00
52.31
A

ATOM
476
C
ASP
56
16.519
35.395
14.030
1.00
48.81
A

ATOM
477
O
ASP
56
16.076
36.525
13.786
1.00
50.01
A

ATOM
478
N
ILE
57
17.085
34.616
13.118
1.00
50.51
A

ATOM
479
H
ILE
57
17.289
33.709
13.397
0.00
0.00
A

ATOM
480
CA
ILE
57
17.302
35.028
11.747
1.00
49.88
A

ATOM
481
CB
ILE
57
18.265
34.030
11.029
1.00
46.50
A

ATOM
482
CG2
ILE
57
17.525
32.860
10.403
1.00
40.87
A

ATOM
483
CG1
ILE
57
19.064
34.756
9.969
1.00
48.12
A

ATOM
484
CD1
ILE
57
19.983
33.839
9.191
1.00
53.89
A

ATOM
485
C
ILE
57
15.980
35.241
11.003
1.00
51.86
A

ATOM
486
O
ILE
57
15.888
36.138
10.174
1.00
52.56
A

ATOM
487
N
GLY
58
14.938
34.505
11.390
1.00
54.04
A

ATOM
488
H
GLY
58
15.018
33.895
12.161
0.00
0.00
A

ATOM
489
CA
GLY
58
13.631
34.623
10.749
1.00
58.57
A

ATOM
490
C
GLY
58
12.850
35.867
11.146
1.00
61.78
A

ATOM
491
O
GLY
58
11.771
36.154
10.619
1.00
62.41
A

ATOM
492
N
LYS
59
13.370
36.564
12.145
1.00
65.48
A

ATOM
493
H
LYS
59
14.139
36.186
12.624
0.00
0.00
A

ATOM
494
CA
LYS
59
12.778
37.798
12.626
1.00
67.57
A

ATOM
495
CB
LYS
59
12.871
37.871
14.158
1.00
69.95
A

ATOM
496
CG
LYS
59
12.595
39.248
14.751
1.00
73.60
A

ATOM
497
CD
LYS
59
13.439
39.491
15.994
1.00
78.34
A

ATOM
498
CE
LYS
59
13.886
40.964
16.113
1.00
83.80
A

ATOM
499
NZ
LYS
59
14.883
41.230
17.225
1.00
85.43
A

ATOM
500
HZ1
LYS
59
15.146
42.231
17.277
0.00
0.00
A

ATOM
501
HZ2
LYS
59
15.737
40.635
17.087
0.00
0.00
A

ATOM
502
HZ3
LYS
59
14.447
40.950
18.126
0.00
0.00
A

ATOM
503
C
LYS
59
13.606
38.912
11.999
1.00
67.49
A

ATOM
504
O
LYS
59
13.087
39.977
11.687
1.00
70.83
A

ATOM
505
N
LEU
60
14.895
38.661
11.818
1.00
65.48
A

ATOM
506
H
LEU
60
15.256
37.794
12.098
0.00
0.00
A

ATOM
507
CA
LEU
60
15.784
39.650
11.236
1.00
66.29
A

ATOM
508
CB
LEU
60
17.209
39.400
11.688
1.00
66.92
A

ATOM
509
CG
LEU
60
17.791
40.434
12.633
1.00
67.54
A

ATOM
510
CD1
LEU
60
17.408
40.090
14.079
1.00
66.42
A

ATOM
511
CD2
LEU
60
19.303
40.448
12.437
1.00
67.11
A

ATOM
512
C
LEU
60
15.779
39.718
9.712
1.00
67.19
A

ATOM
513
O
LEU
60
15.999
40.790
9.139
1.00
67.82
A

ATOM
514
N
PHE
61
15.625
38.565
9.064
1.00
67.12
A

ATOM
515
H
PHE
61
15.472
37.762
9.582
0.00
0.00
A

ATOM
516
CA
PHE
61
15.620
38.466
7.601
1.00
66.38
A

ATOM
517
CB
PHE
61
16.989
37.953
7.076
1.00
64.98
A

ATOM
518
CG
PHE
61
18.203
38.485
7.829
1.00
63.28
A

ATOM
519
CD1
PHE
61
18.516
39.840
7.835
1.00
62.57
A

ATOM
520
CD2
PHE
61
19.023
37.618
8.545
1.00
62.14
A

ATOM
521
CE1
PHE
61
19.624
40.315
8.549
1.00
61.04
A

ATOM
522
CE2
PHE
61
20.131
38.087
9.257
1.00
60.19
A

ATOM
523
CZ
PHE
61
20.429
39.433
9.260
1.00
58.98
A

ATOM
524
C
PHE
61
14.486
37.494
7.189
1.00
66.51
A

ATOM
525
O
PHE
61
14.719
36.317
6.915
1.00
67.05
A

ATOM
526
N
PRO
62
13.243
37.992
7.128
1.00
66.73
A

ATOM
527
CD
PRO
62
12.902
39.379
7.480
1.00
65.79
A

ATOM
528
CA
PRO
62
12.029
37.248
6.773
1.00
68.15
A

ATOM
529
CB
PRO
62
10.941
38.304
6.933
1.00
67.13
A

ATOM
530
CG
PRO
62
11.501
39.232
7.952
1.00
65.97
A

ATOM
531
C
PRO
62
11.940
36.609
5.386
1.00
71.55
A

ATOM
532
O
PRO
62
12.412
37.177
4.400
1.00
72.34
A

ATOM
533
N
ASP
63
11.267
35.456
5.318
1.00
75.18
A

ATOM
534
H
ASP
63
10.965
35.007
6.139
0.00
0.00
A

ATOM
535
CA
ASP
63
11.042
34.727
4.064
1.00
78.62
A

ATOM
536
CB
ASP
63
10.181
33.491
4.293
1.00
79.66
A

ATOM
537
CG
ASP
63
10.859
32.464
5.138
1.00
83.31
A

ATOM
538
OD1
ASP
63
11.369
32.844
6.213
1.00
88.01
A

ATOM
539
OD2
ASP
63
10.879
31.279
4.737
1.00
84.56
A

ATOM
540
C
ASP
63
10.227
35.632
3.192
1.00
81.76
A

ATOM
541
O
ASP
63
10.337
35.611
1.964
1.00
83.71
A

ATOM
542
N
THR
64
9.337
36.355
3.864
1.00
84.86
A

ATOM
543
H
THR
64
9.314
36.225
4.830
0.00
0.00
A

ATOM
544
CA
THR
64
8.425
37.308
3.248
1.00
87.36
A

ATOM
545
CB
THR
64
7.524
37.998
4.337
1.00
88.93
A

ATOM
546
OG1
THR
64
8.274
38.994
5.059
1.00
90.59
A

ATOM
547
HG1
THR
64
8.477
39.758
4.500
0.00
0.00
A

ATOM
548
CG2
THR
64
6.998
36.953
5.336
1.00
88.86
A

ATOM
549
C
THR
64
9.183
38.370
2.434
1.00
87.15
A

ATOM
550
O
THR
64
8.837
38.650
1.283
1.00
88.81
A

ATOM
551
N
ASP
65
10.230
38.938
3.023
1.00
85.20
A

ATOM
552
H
ASP
65
10.527
38.653
3.909
0.00
0.00
A

ATOM
553
CA
ASP
65
11.003
39.954
2.343
1.00
83.08
A

ATOM
554
CB
ASP
65
11.933
40.647
3.321
1.00
83.06
A

ATOM
555
CG
ASP
65
12.343
42.009
2.849
1.00
83.76
A

ATOM
556
OD1
ASP
65
12.572
42.171
1.629
1.00
83.60
A

ATOM
557
OD2
ASP
65
12.422
42.920
3.698
1.00
85.48
A

ATOM
558
C
ASP
65
11.782
39.335
1.189
1.00
82.81
A

ATOM
559
O
ASP
65
12.714
38.543
1.387
1.00
82.23
A

ATOM
560
N
PRO
66
11.404
39.694
−0.046
1.00
83.01
A

ATOM
561
CD
PRO
66
10.385
40.721
−0.329
1.00
84.12
A

ATOM
562
CA
PRO
66
12.008
39.218
−1.292
1.00
82.43
A

ATOM
563
CB
PRO
66
11.046
39.747
−2.350
1.00
83.11
A

ATOM
564
CG
PRO
66
10.655
41.065
−1.781
1.00
83.63
A

ATOM
565
C
PRO
66
13.423
39.740
−1.509
1.00
80.78
A

ATOM
566
O
PRO
66
14.080
39.382
−2.488
1.00
80.72
A

ATOM
567
N
ALA
67
13.876
40.611
−0.616
1.00
78.31
A

ATOM
568
H
ALA
67
13.309
40.951
0.117
0.00
0.00
A

ATOM
569
CA
ALA
67
15.225
41.142
−0.710
1.00
77.87
A

ATOM
570
CB
ALA
67
15.373
42.341
0.212
1.00
78.30
A

ATOM
571
C
ALA
67
16.188
40.027
−0.288
1.00
77.86
A

ATOM
572
O
ALA
67
17.355
39.969
−0.706
1.00
79.36
A

ATOM
573
N
PHE
68
15.667
39.111
0.517
1.00
75.08
A

ATOM
574
H
PHE
68
14.735
39.205
0.811
0.00
0.00
A

ATOM
575
CA
PHE
68
16.461
38.011
1.016
1.00
71.36
A

ATOM
576
CB
PHE
68
15.986
37.672
2.423
1.00
68.67
A

ATOM
577
CG
PHE
68
15.950
38.863
3.342
1.00
64.36
A

ATOM
578
CD1
PHE
68
14.802
39.172
4.062
1.00
61.72
A

ATOM
579
CD2
PHE
68
17.071
39.674
3.490
1.00
61.25
A

ATOM
580
CE1
PHE
68
14.773
40.266
4.915
1.00
59.55
A

ATOM
581
CE2
PHE
68
17.050
40.769
4.341
1.00
59.58
A

ATOM
582
CZ
PHE
68
15.898
41.065
5.056
1.00
59.60
A

ATOM
583
C
PHE
68
16.452
36.782
0.115
1.00
70.65
A

ATOM
584
O
PHE
68
17.121
35.791
0.406
1.00
71.05
A

ATOM
585
N
LYS
69
15.701
36.831
−0.978
1.00
69.82
A

ATOM
586
H
LYS
69
15.259
37.664
−1.238
0.00
0.00
A

ATOM
587
CA
LYS
69
15.658
35.691
−1.877
1.00
71.04
A

ATOM
588
CB
LYS
69
14.625
35.895
−2.972
1.00
74.41
A

ATOM
589
CG
LYS
69
14.518
34.708
−3.898
1.00
80.75
A

ATOM
590
CD
LYS
69
13.979
35.148
−5.236
1.00
88.48
A

ATOM
591
CE
LYS
69
14.316
34.142
−6.331
1.00
93.94
A

ATOM
592
NZ
LYS
69
14.057
34.704
−7.700
1.00
97.54
A

ATOM
593
HZ1
LYS
69
14.309
33.986
−8.410
0.00
0.00
A

ATOM
594
HZ2
LYS
69
14.646
35.549
−7.842
0.00
0.00
A

ATOM
595
HZ3
LYS
69
13.052
34.951
−7.798
0.00
0.00
A

ATOM
596
C
LYS
69
17.041
35.497
−2.496
1.00
70.29
A

ATOM
597
O
LYS
69
17.621
36.440
−3.040
1.00
71.48
A

ATOM
598
N
GLY
70
17.538
34.261
−2.438
1.00
67.56
A

ATOM
599
H
GLY
70
17.039
33.499
−2.195
0.00
0.00
A

ATOM
600
CA
GLY
70
18.854
33.922
−2.947
1.00
61.75
A

ATOM
601
C
GLY
70
19.984
34.434
−2.070
1.00
58.57
A

ATOM
602
O
GLY
70
21.147
34.195
−2.389
1.00
59.45
A

ATOM
603
N
ALA
71
19.655
35.060
−0.937
1.00
54.87
A

ATOM
604
H
ALA
71
18.711
35.134
−0.691
0.00
0.00
A

ATOM
605
CA
ALA
71
20.660
35.644
−0.045
1.00
51.47
A

ATOM
606
CB
ALA
71
20.009
36.234
1.192
1.00
50.56
A

ATOM
607
C
ALA
71
21.808
34.734
0.356
1.00
49.57
A

ATOM
608
O
ALA
71
21.616
33.567
0.701
1.00
52.68
A

ATOM
609
N
ASP
72
23.009
35.284
0.290
1.00
44.98
A

ATOM
610
H
ASP
72
23.118
36.214
0.003
0.00
0.00
A

ATOM
611
CA
ASP
72
24.209
34.569
0.658
1.00
39.97
A

ATOM
612
CB
ASP
72
25.399
35.353
0.124
1.00
39.91
A

ATOM
613
CG
ASP
72
26.725
34.897
0.681
1.00
44.97
A

ATOM
614
OD1
ASP
72
26.781
34.214
1.722
1.00
50.04
A

ATOM
615
OD2
ASP
72
27.758
35.270
0.088
1.00
49.57
A

ATOM
616
C
ASP
72
24.164
34.584
2.177
1.00
39.39
A

ATOM
617
O
ASP
72
24.232
35.643
2.795
1.00
40.77
A

ATOM
618
N
SER
73
24.056
33.415
2.792
1.00
36.91
A

ATOM
619
H
SER
73
24.059
32.605
2.242
0.00
0.00
A

ATOM
620
CA
SER
73
23.985
33.345
4.243
1.00
34.67
A

ATOM
621
CB
SER
73
23.720
31.925
4.690
1.00
34.49
A

ATOM
622
OG
SER
73
22.424
31.527
4.285
1.00
34.67
A

ATOM
623
HG
SER
73
22.614
31.527
3.337
0.00
0.00
A

ATOM
624
C
SER
73
25.145
33.936
5.029
1.00
35.77
A

ATOM
625
O
SER
73
24.980
34.254
6.207
1.00
37.56
A

ATOM
626
N
ARG
74
26.313
34.065
4.403
1.00
36.11
A

ATOM
627
H
ARG
74
26.383
33.728
3.488
0.00
0.00
A

ATOM
628
CA
ARG
74
27.473
34.642
5.066
1.00
35.20
A

ATOM
629
CB
ARG
74
28.731
34.490
4.252
1.00
31.95
A

ATOM
630
CG
ARG
74
29.288
33.104
4.285
1.00
33.83
A

ATOM
631
CD
ARG
74
30.599
33.062
3.543
1.00
37.00
A

ATOM
632
NE
ARG
74
31.631
33.803
4.258
1.00
38.05
A

ATOM
633
HE
ARG
74
31.381
34.195
5.104
0.00
0.00
A

ATOM
634
CZ
ARG
74
32.859
34.003
3.807
1.00
37.27
A

ATOM
635
NH1
ARG
74
33.734
34.677
4.544
1.00
41.80
A

ATOM
636
HH11
ARG
74
33.445
35.003
5.458
0.00
0.00
A

ATOM
637
HH12
ARG
74
34.704
34.865
4.324
0.00
0.00
A

ATOM
638
NH2
ARG
74
33.195
33.559
2.606
1.00
35.06
A

ATOM
639
HH21
ARG
74
32.527
33.068
2.040
0.00
0.00
A

ATOM
640
HH22
ARG
74
34.127
33.680
2.253
0.00
0.00
A

ATOM
641
C
ARG
74
27.197
36.085
5.194
1.00
36.89
A

ATOM
642
O
ARG
74
27.658
36.728
6.126
1.00
39.99
A

ATOM
643
N
GLU
75
26.469
36.611
4.225
1.00
39.34
A

ATOM
644
H
GLU
75
26.172
36.063
3.459
0.00
0.00
A

ATOM
645
CA
GLU
75
26.107
38.016
4.251
1.00
43.69
A

ATOM
646
CB
GLU
75
25.405
38.397
2.965
1.00
49.06
A

ATOM
647
CG
GLU
75
25.732
39.764
2.441
1.00
58.61
A

ATOM
648
CD
GLU
75
25.521
39.823
0.937
1.00
65.82
A

ATOM
649
OE1
GLU
75
24.347
39.852
0.497
1.00
67.54
A

ATOM
650
OE2
GLU
75
26.534
39.797
0.196
1.00
71.24
A

ATOM
651
C
GLU
75
25.181
38.219
5.443
1.00
41.79
A

ATOM
652
O
GLU
75
25.344
39.183
6.189
1.00
42.71
A

ATOM
653
N
LEU
76
24.244
37.291
5.645
1.00
38.47
A

ATOM
654
H
LEU
76
24.174
36.559
4.997
0.00
0.00
A

ATOM
655
CA
LEU
76
23.324
37.373
6.777
1.00
35.34
A

ATOM
656
CB
LEU
76
22.195
36.353
6.659
1.00
36.17
A

ATOM
657
CG
LEU
76
21.340
36.406
5.387
1.00
37.48
A

ATOM
658
CD1
LEU
76
20.128
35.507
5.531
1.00
39.41
A

ATOM
659
CD2
LEU
76
20.872
37.807
5.143
1.00
41.52
A

ATOM
660
C
LEU
76
24.084
37.151
8.078
1.00
34.45
A

ATOM
661
O
LEU
76
23.808
37.811
9.076
1.00
36.98
A

ATOM
662
N
LEU
77
25.050
36.238
8.071
1.00
32.22
A

ATOM
663
H
LEU
77
25.239
35.738
7.259
0.00
0.00
A

ATOM
664
CA
LEU
77
25.838
35.977
9.268
1.00
30.77
A

ATOM
665
CB
LEU
77
26.859
34.873
9.023
1.00
29.28
A

ATOM
666
CG
LEU
77
27.944
34.708
10.097
1.00
26.98
A

ATOM
667
CD1
LEU
77
27.307
34.498
11.453
1.00
26.01
A

ATOM
668
CD2
LEU
77
28.860
33.551
9.746
1.00
21.32
A

ATOM
669
C
LEU
77
26.571
37.232
9.711
1.00
32.43
A

ATOM
670
O
LEU
77
26.551
37.583
10.885
1.00
35.39
A

ATOM
671
N
ARG
78
27.208
37.917
8.772
1.00
34.22
A

ATOM
672
H
ARG
78
27.201
37.585
7.849
0.00
0.00
A

ATOM
673
CA
ARG
78
27.948
39.126
9.095
1.00
34.89
A

ATOM
674
CB
ARG
78
28.732
39.602
7.886
1.00
34.05
A

ATOM
675
CG
ARG
78
29.753
38.607
7.419
1.00
39.13
A

ATOM
676
CD
ARG
78
30.669
39.198
6.372
1.00
43.99
A

ATOM
677
NE
ARG
78
30.781
38.313
5.221
1.00
51.06
A

ATOM
678
HE
ARG
78
31.382
37.541
5.397
0.00
0.00
A

ATOM
679
CZ
ARG
78
30.101
38.477
4.089
1.00
53.91
A

ATOM
680
NH1
ARG
78
30.253
37.611
3.087
1.00
57.23
A

ATOM
681
HH11
ARG
78
30.857
36.822
3.206
0.00
0.00
A

ATOM
682
HH12
ARG
78
29.740
37.667
2.218
0.00
0.00
A

ATOM
683
NH2
ARG
78
29.277
39.518
3.955
1.00
57.96
A

ATOM
684
HH21
ARG
78
29.158
40.170
4.708
0.00
0.00
A

ATOM
685
HH22
ARG
78
28.722
39.671
3.124
0.00
0.00
A

ATOM
686
C
ARG
78
27.089
40.256
9.653
1.00
35.89
A

ATOM
687
O
ARG
78
27.516
40.953
10.566
1.00
39.01
A

ATOM
688
N
GLU
79
25.881
40.429
9.125
1.00
35.00
A

ATOM
689
H
GLU
79
25.583
39.856
8.387
0.00
0.00
A

ATOM
690
CA
GLU
79
24.989
41.478
9.600
1.00
35.61
A

ATOM
691
CB
GLU
79
23.752
41.574
8.723
1.00
38.12
A

ATOM
692
CG
GLU
79
22.735
42.605
9.205
1.00
44.19
A

ATOM
693
CD
GLU
79
23.275
44.037
9.258
1.00
48.14
A

ATOM
694
OE1
GLU
79
24.453
44.285
8.902
1.00
52.30
A

ATOM
695
OE2
GLU
79
22.501
44.930
9.658
1.00
47.94
A

ATOM
696
C
GLU
79
24.551
41.218
11.022
1.00
36.88
A

ATOM
697
O
GLU
79
24.613
42.102
11.875
1.00
38.40
A

ATOM
698
N
ALA
80
24.034
40.021
11.256
1.00
36.17
A

ATOM
699
H
ALA
80
23.938
39.393
10.506
0.00
0.00
A

ATOM
700
CA
ALA
80
23.611
39.644
12.581
1.00
35.43
A

ATOM
701
CB
ALA
80
23.231
38.201
12.603
1.00
36.92
A

ATOM
702
C
ALA
80
24.800
39.883
13.491
1.00
36.03
A

ATOM
703
O
ALA
80
24.663
40.481
14.550
1.00
37.36
A

ATOM
704
N
TRP
81
25.985
39.482
13.051
1.00
34.52
A

ATOM
705
H
TRP
81
26.070
39.036
12.182
0.00
0.00
A

ATOM
706
CA
TRP
81
27.163
39.688
13.872
1.00
36.48
A

ATOM
707
CB
TRP
81
28.388
39.029
13.258
1.00
34.24
A

ATOM
708
CG
TRP
81
29.612
39.109
14.125
1.00
35.45
A

ATOM
709
CD2
TRP
81
29.739
38.665
15.483
1.00
36.70
A

ATOM
710
CE2
TRP
81
31.077
38.903
15.878
1.00
35.64
A

ATOM
711
CE3
TRP
81
28.859
38.080
16.403
1.00
36.81
A

ATOM
712
CD1
TRP
81
30.837
39.586
13.766
1.00
37.71
A

ATOM
713
NE1
TRP
81
31.724
39.463
14.812
1.00
37.51
A

ATOM
714
HE1
TRP
81
32.683
39.695
14.795
0.00
0.00
A

ATOM
715
CZ2
TRP
81
31.551
38.581
17.141
1.00
35.63
A

ATOM
716
CZ3
TRP
81
29.332
37.757
17.662
1.00
36.48
A

ATOM
717
CH2
TRP
81
30.667
38.009
18.019
1.00
37.36
A

ATOM
718
C
TRP
81
27.428
41.172
14.068
1.00
39.20
A

ATOM
719
O
TRP
81
27.865
41.597
15.137
1.00
40.70
A

ATOM
720
N
ARG
82
27.163
41.964
13.039
1.00
41.20
A

ATOM
721
H
ARG
82
26.808
41.584
12.212
0.00
0.00
A

ATOM
722
CA
ARG
82
27.385
43.395
13.125
1.00
43.01
A

ATOM
723
CB
ARG
82
26.984
44.083
11.824
1.00
45.94
A

ATOM
724
CG
ARG
82
27.350
45.561
11.768
1.00
51.33
A

ATOM
725
CD
ARG
82
26.745
46.269
10.545
1.00
55.76
A

ATOM
726
NE
ARG
82
25.280
46.291
10.560
1.00
58.28
A

ATOM
727
HE
ARG
82
24.844
45.831
9.811
0.00
0.00
A

ATOM
728
CZ
ARG
82
24.536
46.903
11.479
1.00
59.82
A

ATOM
729
NH1
ARG
82
23.214
46.852
11.398
1.00
60.94
A

ATOM
730
HH11
ARG
82
22.843
46.338
10.611
0.00
0.00
A

ATOM
731
HH12
ARG
82
22.566
47.270
12.026
0.00
0.00
A

ATOM
732
NH2
ARG
82
25.110
47.586
12.465
1.00
61.01
A

ATOM
733
HH21
ARG
82
26.109
47.637
12.514
0.00
0.00
A

ATOM
734
HH22
ARG
82
24.582
48.056
13.173
0.00
0.00
A

ATOM
735
C
ARG
82
26.520
43.907
14.253
1.00
44.80
A

ATOM
736
O
ARG
82
27.013
44.500
15.213
1.00
46.01
A

ATOM
737
N
ARG
83
25.232
43.605
14.163
1.00
46.09
A

ATOM
738
H
ARG
83
24.935
43.057
13.412
0.00
0.00
A

ATOM
739
CA
ARG
83
24.272
44.031
15.162
1.00
47.04
A

ATOM
740
CB
ARG
83
22.868
43.607
14.753
1.00
48.41
A

ATOM
741
CG
ARG
83
22.515
44.010
13.345
1.00
54.45
A

ATOM
742
CD
ARG
83
21.028
43.865
13.065
1.00
60.36
A

ATOM
743
NE
ARG
83
20.769
44.120
11.649
1.00
67.66
A

ATOM
744
HE
ARG
83
21.579
44.220
11.109
0.00
0.00
A

ATOM
745
CZ
ARG
83
19.567
44.138
11.074
1.00
71.21
A

ATOM
746
NH1
ARG
83
19.464
44.382
9.764
1.00
73.92
A

ATOM
747
HH11
ARG
83
20.326
44.527
9.248
0.00
0.00
A

ATOM
748
HH12
ARG
83
18.604
44.401
9.251
0.00
0.00
A

ATOM
749
NH2
ARG
83
18.477
43.905
11.800
1.00
73.75
A

ATOM
750
HH21
ARG
83
18.571
43.717
12.780
0.00
0.00
A

ATOM
751
HH22
ARG
83
17.549
43.896
11.415
0.00
0.00
A

ATOM
752
C
ARG
83
24.603
43.474
16.538
1.00
47.66
A

ATOM
753
O
ARG
83
24.438
44.164
17.543
1.00
51.10
A

ATOM
754
N
ILE
84
25.107
42.247
16.586
1.00
45.77
A

ATOM
755
H
ILE
84
25.265
41.764
15.755
0.00
0.00
A

ATOM
756
CA
ILE
84
25.433
41.628
17.860
1.00
44.71
A

ATOM
757
CB
ILE
84
25.816
40.142
17.677
1.00
43.63
A

ATOM
758
CG2
ILE
84
26.330
39.548
18.998
1.00
39.67
A

ATOM
759
CG1
ILE
84
24.606
39.360
17.164
1.00
41.19
A

ATOM
760
CD1
ILE
84
24.919
37.949
16.774
1.00
40.05
A

ATOM
761
C
ILE
84
26.550
42.377
18.567
1.00
45.94
A

ATOM
762
O
ILE
84
26.493
42.609
19.778
1.00
46.71
A

ATOM
763
N
GLN
85
27.557
42.772
17.803
1.00
46.56
A

ATOM
764
H
GLN
85
27.535
42.576
16.843
0.00
0.00
A

ATOM
765
CA
GLN
85
28.691
43.486
18.365
1.00
48.49
A

ATOM
766
CB
GLN
85
29.799
43.611
17.332
1.00
49.27
A

ATOM
767
CG
GLN
85
30.390
42.297
16.886
1.00
51.51
A

ATOM
768
CD
GLN
85
31.595
42.494
16.002
1.00
52.54
A

ATOM
769
OE1
GLN
85
32.734
42.396
16.458
1.00
53.13
A

ATOM
770
NE2
GLN
85
31.354
42.799
14.728
1.00
53.73
A

ATOM
771
HE21
GLN
85
30.422
42.871
14.438
0.00
0.00
A

ATOM
772
HE22
GLN
85
32.132
42.925
14.152
0.00
0.00
A

ATOM
773
C
GLN
85
28.266
44.868
18.817
1.00
49.21
A

ATOM
774
O
GLN
85
28.763
45.387
19.818
1.00
50.82
A

ATOM
775
N
ALA
86
27.356
45.465
18.057
1.00
48.82
A

ATOM
776
H
ALA
86
27.034
44.996
17.256
0.00
0.00
A

ATOM
777
CA
ALA
86
26.833
46.787
18.362
1.00
47.23
A

ATOM
778
CB
ALA
86
25.828
47.205
17.313
1.00
46.13
A

ATOM
779
C
ALA
86
26.182
46.778
19.734
1.00
47.81
A

ATOM
780
O
ALA
86
26.259
47.764
20.451
1.00
49.75
A

ATOM
781
N
LYS
87
25.540
45.664
20.091
1.00
48.61
A

ATOM
782
H
LYS
87
25.487
44.920
19.453
0.00
0.00
A

ATOM
783
CA
LYS
87
24.890
45.521
21.393
1.00
48.26
A

ATOM
784
CB
LYS
87
23.935
44.320
21.369
1.00
50.54
A

ATOM
785
CG
LYS
87
22.937
44.230
22.543
1.00
57.30
A

ATOM
786
CD
LYS
87
21.932
43.043
22.381
1.00
59.87
A

ATOM
787
CE
LYS
87
20.886
42.927
23.524
1.00
59.12
A

ATOM
788
NZ
LYS
87
21.151
41.849
24.546
1.00
56.97
A

ATOM
789
HZ1
LYS
87
20.398
41.886
25.291
0.00
0.00
A

ATOM
790
HZ2
LYS
87
22.062
41.928
25.034
0.00
0.00
A

ATOM
791
HZ3
LYS
87
21.095
40.925
24.087
0.00
0.00
A

ATOM
792
C
LYS
87
25.978
45.365
22.475
1.00
47.28
A

ATOM
793
O
LYS
87
25.694
45.262
23.664
1.00
47.47
A

ATOM
794
N
GLY
88
27.231
45.348
22.042
1.00
46.52
A

ATOM
795
H
GLY
88
27.432
45.402
21.099
0.00
0.00
A

ATOM
796
CA
GLY
88
28.337
45.242
22.964
1.00
48.00
A

ATOM
797
C
GLY
88
28.948
43.871
23.164
1.00
50.62
A

ATOM
798
O
GLY
88
29.821
43.711
24.016
1.00
54.79
A

ATOM
799
N
TYR
89
28.572
42.883
22.365
1.00
48.91
A

ATOM
800
H
TYR
89
27.965
43.045
21.615
0.00
0.00
A

ATOM
801
CA
TYR
89
29.129
41.562
22.586
1.00
44.46
A

ATOM
802
CB
TYR
89
28.056
40.501
22.332
1.00
44.47
A

ATOM
803
CG
TYR
89
26.831
40.622
23.211
1.00
40.84
A

ATOM
804
CD1
TYR
89
25.707
41.310
22.771
1.00
42.82
A

ATOM
805
CE1
TYR
89
24.556
41.397
23.559
1.00
43.87
A

ATOM
806
CD2
TYR
89
26.785
40.025
24.469
1.00
39.22
A

ATOM
807
CE2
TYR
89
25.644
40.110
25.275
1.00
39.80
A

ATOM
808
CZ
TYR
89
24.526
40.797
24.811
1.00
44.51
A

ATOM
809
OH
TYR
89
23.367
40.883
25.574
1.00
46.03
A

ATOM
810
HH
TYR
89
23.534
40.479
26.435
0.00
0.00
A

ATOM
811
C
TYR
89
30.365
41.281
21.747
1.00
43.62
A

ATOM
812
O
TYR
89
30.599
41.959
20.747
1.00
42.23
A

ATOM
813
N
THR
90
31.172
40.320
22.211
1.00
43.30
A

ATOM
814
H
THR
90
30.941
39.890
23.063
0.00
0.00
A

ATOM
815
CA
THR
90
32.386
39.844
21.529
1.00
45.09
A

ATOM
816
CB
THR
90
33.695
40.250
22.235
1.00
44.73
A

ATOM
817
OG1
THR
90
33.687
39.790
23.590
1.00
49.84
A

ATOM
818
HG1
THR
90
32.998
40.286
24.051
0.00
0.00
A

ATOM
819
CG2
THR
90
33.848
41.723
22.228
1.00
48.37
A

ATOM
820
C
THR
90
32.315
38.314
21.511
1.00
44.94
A

ATOM
821
O
THR
90
31.675
37.706
22.379
1.00
45.20
A

ATOM
822
N
LEU
91
33.013
37.687
20.570
1.00
43.42
A

ATOM
823
H
LEU
91
33.593
38.190
19.966
0.00
0.00
A

ATOM
824
CA
LEU
91
32.938
36.238
20.452
1.00
40.51
A

ATOM
825
CB
LEU
91
33.372
35.771
19.061
1.00
37.34
A

ATOM
826
CG
LEU
91
32.977
34.345
18.671
1.00
33.14
A

ATOM
827
CD1
LEU
91
31.490
34.314
18.419
1.00
33.98
A

ATOM
828
CD2
LEU
91
33.710
33.906
17.418
1.00
33.13
A

ATOM
829
C
LEU
91
33.698
35.463
21.496
1.00
40.16
A

ATOM
830
O
LEU
91
34.842
35.771
21.801
1.00
40.92
A

ATOM
831
N
GLY
92
33.020
34.473
22.062
1.00
41.01
A

ATOM
832
H
GLY
92
32.082
34.333
21.826
0.00
0.00
A

ATOM
833
CA
GLY
92
33.630
33.597
23.042
1.00
39.62
A

ATOM
834
C
GLY
92
34.162
32.457
22.207
1.00
38.21
A

ATOM
835
O
GLY
92
35.370
32.253
22.129
1.00
42.68
A

ATOM
836
N
ASN
93
33.250
31.738
21.558
1.00
33.40
A

ATOM
837
H
ASN
93
32.298
31.956
21.666
0.00
0.00
A

ATOM
838
CA
ASN
93
33.596
30.639
20.669
1.00
29.36
A

ATOM
839
CB
ASN
93
34.382
29.571
21.383
1.00
30.39
A

ATOM
840
CG
ASN
93
33.518
28.720
22.250
1.00
31.62
A

ATOM
841
OD1
ASN
93
33.335
27.543
21.983
1.00
32.44
A

ATOM
842
ND2
ASN
93
32.980
29.308
23.305
1.00
34.70
A

ATOM
843
HD21
ASN
93
33.212
30.247
23.462
0.00
0.00
A

ATOM
844
HD22
ASN
93
32.371
28.797
23.867
0.00
0.00
A

ATOM
845
C
ASN
93
32.306
30.038
20.201
1.00
28.88
A

ATOM
846
O
ASN
93
31.257
30.294
20.791
1.00
29.50
A

ATOM
847
N
VAL
94
32.376
29.257
19.133
1.00
27.85
A

ATOM
848
H
VAL
94
33.239
29.076
18.700
0.00
0.00
A

ATOM
849
CA
VAL
94
31.195
28.609
18.584
1.00
28.06
A

ATOM
850
CB
VAL
94
30.647
29.357
17.356
1.00
26.42
A

ATOM
851
CG1
VAL
94
30.447
30.822
17.686
1.00
25.10
A

ATOM
852
CG2
VAL
94
31.572
29.180
16.169
1.00
25.22
A

ATOM
853
C
VAL
94
31.480
27.156
18.199
1.00
30.43
A

ATOM
854
O
VAL
94
32.641
26.762
17.942
1.00
33.46
A

ATOM
855
N
ASP
95
30.416
26.358
18.202
1.00
29.67
A

ATOM
856
H
ASP
95
29.535
26.710
18.447
0.00
0.00
A

ATOM
857
CA
ASP
95
30.495
24.953
17.856
1.00
26.42
A

ATOM
858
CB
ASP
95
30.448
24.087
19.102
1.00
27.34
A

ATOM
859
CG
ASP
95
30.895
22.681
18.827
1.00
29.37
A

ATOM
860
OD1
ASP
95
30.892
21.844
19.745
1.00
29.22
A

ATOM
861
OD2
ASP
95
31.250
22.388
17.672
1.00
32.12
A

ATOM
862
C
ASP
95
29.289
24.660
17.013
1.00
25.22
A

ATOM
863
O
ASP
95
28.175
25.056
17.371
1.00
26.83
A

ATOM
864
N
VAL
96
29.516
23.976
15.899
1.00
22.97
A

ATOM
865
H
VAL
96
30.440
23.692
15.730
0.00
0.00
A

ATOM
866
CA
VAL
96
28.467
23.625
14.956
1.00
23.98
A

ATOM
867
CB
VAL
96
28.722
24.335
13.628
1.00
22.85
A

ATOM
868
CG1
VAL
96
27.647
23.987
12.623
1.00
21.58
A

ATOM
869
CG2
VAL
96
28.768
25.823
13.847
1.00
22.98
A

ATOM
870
C
VAL
96
28.426
22.114
14.695
1.00
27.17
A

ATOM
871
O
VAL
96
29.475
21.472
14.575
1.00
31.62
A

ATOM
872
N
THR
97
27.229
21.540
14.592
1.00
27.95
A

ATOM
873
H
THR
97
26.426
22.080
14.660
0.00
0.00
A

ATOM
874
CA
THR
97
27.089
20.109
14.320
1.00
27.90
A

ATOM
875
CB
THR
97
26.443
19.369
15.482
1.00
26.54
A

ATOM
876
OG1
THR
97
27.139
19.680
16.694
1.00
31.74
A

ATOM
877
HG1
THR
97
28.024
19.376
16.473
0.00
0.00
A

ATOM
878
CG2
THR
97
26.504
17.878
15.243
1.00
24.13
A

ATOM
879
C
THR
97
26.174
19.911
13.132
1.00
29.49
A

ATOM
880
O
THR
97
24.982
20.183
13.233
1.00
33.63
A

ATOM
881
N
ILE
98
26.731
19.494
12.001
1.00
28.27
A

ATOM
882
H
ILE
98
27.695
19.334
11.966
0.00
0.00
A

ATOM
883
CA
ILE
98
25.942
19.241
10.798
1.00
28.60
A

ATOM
884
CB
ILE
98
26.806
19.330
9.540
1.00
28.09
A

ATOM
885
CG2
ILE
98
25.957
19.060
8.309
1.00
25.26
A

ATOM
886
CG1
ILE
98
27.473
20.701
9.467
1.00
27.97
A

ATOM
887
CD1
ILE
98
28.574
20.782
8.446
1.00
29.00
A

ATOM
888
C
ILE
98
25.443
17.806
10.920
1.00
30.10
A

ATOM
889
O
ILE
98
26.200
16.918
11.318
1.00
33.90
A

ATOM
890
N
ILE
99
24.183
17.568
10.593
1.00
28.23
A

ATOM
891
H
ILE
99
23.605
18.283
10.253
0.00
0.00
A

ATOM
892
CA
ILE
99
23.625
16.229
10.695
1.00
26.18
A

ATOM
893
CB
ILE
99
22.456
16.203
11.695
1.00
24.53
A

ATOM
894
CG2
ILE
99
21.883
14.822
11.816
1.00
21.72
A

ATOM
895
CG1
ILE
99
22.951
16.657
13.063
1.00
24.46
A

ATOM
896
CD1
ILE
99
21.869
17.102
13.983
1.00
23.99
A

ATOM
897
C
ILE
99
23.153
15.910
9.299
1.00
27.13
A

ATOM
898
O
ILE
99
22.194
16.494
8.813
1.00
28.31
A

ATOM
899
N
ALA
100
23.889
15.046
8.620
1.00
28.13
A

ATOM
900
H
ALA
100
24.678
14.632
9.039
0.00
0.00
A

ATOM
901
CA
ALA
100
23.551
14.676
7.263
1.00
29.51
A

ATOM
902
CB
ALA
100
24.098
15.704
6.321
1.00
27.33
A

ATOM
903
C
ALA
100
24.120
13.302
6.936
1.00
33.76
A

ATOM
904
O
ALA
100
25.183
12.931
7.434
1.00
37.48
A

ATOM
905
N
GLN
101
23.381
12.537
6.132
1.00
35.65
A

ATOM
906
H
GLN
101
22.530
12.905
5.815
0.00
0.00
A

ATOM
907
CA
GLN
101
23.785
11.193
5.702
1.00
35.60
A

ATOM
908
CB
GLN
101
22.569
10.450
5.167
1.00
36.96
A

ATOM
909
CG
GLN
101
22.736
8.963
5.096
1.00
40.26
A

ATOM
910
CD
GLN
101
22.835
8.342
6.463
1.00
42.36
A

ATOM
911
OE1
GLN
101
23.612
7.408
6.675
1.00
46.71
A

ATOM
912
NE2
GLN
101
22.047
8.858
7.413
1.00
42.34
A

ATOM
913
HE21
GLN
101
21.426
9.574
7.154
0.00
0.00
A

ATOM
914
HE22
GLN
101
22.123
8.513
8.317
0.00
0.00
A

ATOM
915
C
GLN
101
24.808
11.325
4.577
1.00
34.80
A

ATOM
916
O
GLN
101
25.684
10.483
4.387
1.00
35.38
A

ATOM
917
N
ALA
102
24.648
12.391
3.811
1.00
36.36
A

ATOM
918
H
ALA
102
23.912
13.022
3.964
0.00
0.00
A

ATOM
919
CA
ALA
102
25.524
12.713
2.704
1.00
35.91
A

ATOM
920
CB
ALA
102
25.300
11.746
1.590
1.00
36.12
A

ATOM
921
C
ALA
102
25.157
14.133
2.274
1.00
36.73
A

ATOM
922
O
ALA
102
24.037
14.592
2.524
1.00
36.49
A

ATOM
923
N
CPR
103
26.071
14.837
1.589
1.00
36.82
A

ATOM
924
CD
CPR
103
25.708
16.160
1.046
1.00
35.33
A

ATOM
925
CA
CPR
103
27.418
14.443
1.170
1.00
37.46
A

ATOM
926
CB
CPR
103
27.769
15.527
0.157
1.00
35.36
A

ATOM
927
CG
CPR
103
27.029
16.725
0.673
1.00
32.55
A

ATOM
928
C
CPR
103
28.383
14.413
2.354
1.00
41.85
A

ATOM
929
O
CPR
103
27.967
14.664
3.486
1.00
45.89
A

ATOM
930
N
LYS
104
29.646
14.047
2.112
1.00
43.89
A

ATOM
931
H
LYS
104
29.912
13.830
1.197
0.00
0.00
A

ATOM
932
CA
LYS
104
30.656
14.002
3.178
1.00
43.00
A

ATOM
933
CB
LYS
104
31.888
13.222
2.737
1.00
49.77
A

ATOM
934
CG
LYS
104
31.744
11.725
2.577
1.00
60.37
A

ATOM
935
CD
LYS
104
33.109
11.184
2.133
1.00
72.57
A

ATOM
936
CE
LYS
104
33.225
9.659
2.174
1.00
80.21
A

ATOM
937
NZ
LYS
104
34.671
9.252
2.030
1.00
85.47
A

ATOM
938
HZ1
LYS
104
35.223
9.777
2.743
0.00
0.00
A

ATOM
939
HZ2
LYS
104
34.981
9.517
1.084
0.00
0.00
A

ATOM
940
HZ3
LYS
104
34.778
8.232
2.206
0.00
0.00
A

ATOM
941
C
LYS
104
31.087
15.431
3.499
1.00
40.41
A

ATOM
942
O
LYS
104
31.673
16.114
2.652
1.00
41.38
A

ATOM
943
N
MET
105
30.832
15.869
4.723
1.00
35.02
A

ATOM
944
H
MET
105
30.364
15.273
5.343
0.00
0.00
A

ATOM
945
CA
MET
105
31.171
17.217
5.113
1.00
31.17
A

ATOM
946
CB
MET
105
30.338
17.636
6.307
1.00
30.26
A

ATOM
947
CG
MET
105
28.861
17.566
6.071
1.00
32.39
A

ATOM
948
SD
MET
105
28.383
18.600
4.705
1.00
35.48
A

ATOM
949
CE
MET
105
26.728
18.017
4.441
1.00
31.76
A

ATOM
950
C
MET
105
32.604
17.314
5.504
1.00
30.28
A

ATOM
951
O
MET
105
33.277
18.284
5.212
1.00
31.68
A

ATOM
952
N
LEU
106
33.081
16.271
6.140
1.00
31.11
A

ATOM
953
H
LEU
106
32.508
15.492
6.265
0.00
0.00
A

ATOM
954
CA
LEU
106
34.432
16.251
6.661
1.00
34.46
A

ATOM
955
CB
LEU
106
34.845
14.819
6.973
1.00
42.07
A

ATOM
956
CG
LEU
106
36.011
14.739
7.956
1.00
47.55
A

ATOM
957
CD1
LEU
106
35.590
15.344
9.301
1.00
48.30
A

ATOM
958
CD2
LEU
106
36.462
13.285
8.114
1.00
52.58
A

ATOM
959
C
LEU
106
35.547
16.968
5.910
1.00
33.93
A

ATOM
960
O
LEU
106
36.249
17.796
6.474
1.00
34.78
A

ATOM
961
N
PRO
107
35.735
16.656
4.632
1.00
34.19
A

ATOM
962
CD
PRO
107
35.029
15.703
3.763
1.00
32.58
A

ATOM
963
CA
PRO
107
36.810
17.333
3.906
1.00
34.58
A

ATOM
964
CB
PRO
107
36.767
16.654
2.544
1.00
35.18
A

ATOM
965
CG
PRO
107
35.333
16.251
2.410
1.00
33.44
A

ATOM
966
C
PRO
107
36.622
18.827
3.765
1.00
35.69
A

ATOM
967
O
PRO
107
37.580
19.562
3.542
1.00
38.33
A

ATOM
968
N
HIS
108
35.382
19.274
3.874
1.00
34.83
A

ATOM
969
H
HIS
108
34.678
18.640
4.093
0.00
0.00
A

ATOM
970
CA
HIS
108
35.078
20.683
3.717
1.00
35.74
A

ATOM
971
CB
HIS
108
33.703
20.840
3.078
1.00
35.84
A

ATOM
972
CG
HIS
108
33.495
19.972
1.879
1.00
34.67
A

ATOM
973
CD2
HIS
108
32.820
18.808
1.730
1.00
36.37
A

ATOM
974
ND1
HIS
108
34.031
20.263
0.645
1.00
34.89
A

ATOM
975
HD1
HIS
108
34.509
21.086
0.416
0.00
0.00
A

ATOM
976
CE1
HIS
108
33.698
19.313
−0.212
1.00
35.92
A

ATOM
977
NE2
HIS
108
32.963
18.418
0.422
1.00
35.47
A

ATOM
978
HE2
HIS
108
32.565
17.603
0.038
0.00
0.00
A

ATOM
979
C
HIS
108
35.129
21.514
4.994
1.00
37.27
A

ATOM
980
O
HIS
108
35.184
22.746
4.924
1.00
39.42
A

ATOM
981
N
ILE
109
35.131
20.868
6.157
1.00
35.87
A

ATOM
982
H
ILE
109
35.139
19.887
6.182
0.00
0.00
A

ATOM
983
CA
ILE
109
35.141
21.624
7.403
1.00
33.92
A

ATOM
984
CB
ILE
109
35.130
20.721
8.668
1.00
33.08
A

ATOM
985
CG2
ILE
109
35.661
21.476
9.857
1.00
33.55
A

ATOM
986
CG1
ILE
109
33.702
20.309
9.036
1.00
31.13
A

ATOM
987
CD1
ILE
109
33.261
19.050
8.416
1.00
29.72
A

ATOM
988
C
ILE
109
36.208
22.707
7.538
1.00
35.33
A

ATOM
989
O
ILE
109
35.889
23.818
7.961
1.00
39.72
A

ATOM
990
N
PRO
110
37.469
22.437
7.144
1.00
35.30
A

ATOM
991
CD
PRO
110
38.047
21.217
6.556
1.00
36.37
A

ATOM
992
CA
PRO
110
38.501
23.480
7.281
1.00
34.53
A

ATOM
993
CB
PRO
110
39.725
22.836
6.648
1.00
34.70
A

ATOM
994
CG
PRO
110
39.508
21.374
6.883
1.00
34.53
A

ATOM
995
C
PRO
110
38.141
24.785
6.579
1.00
34.91
A

ATOM
996
O
PRO
110
38.218
25.870
7.172
1.00
35.36
A

ATOM
997
N
GLN
111
37.728
24.671
5.322
1.00
35.00
A

ATOM
998
H
GLN
111
37.671
23.781
4.914
0.00
0.00
A

ATOM
999
CA
GLN
111
37.342
25.838
4.543
1.00
33.40
A

ATOM
1000
CB
GLN
111
36.985
25.419
3.122
1.00
30.60
A

ATOM
1001
CG
GLN
111
36.719
26.574
2.209
1.00
27.01
A

ATOM
1002
CD
GLN
111
37.838
27.565
2.221
1.00
24.51
A

ATOM
1003
OE1
GLN
111
37.620
28.750
2.380
1.00
30.89
A

ATOM
1004
NE2
GLN
111
39.051
27.085
2.088
1.00
25.10
A

ATOM
1005
HE21
GLN
111
39.139
26.119
2.020
0.00
0.00
A

ATOM
1006
HE22
GLN
111
39.770
27.754
2.068
0.00
0.00
A

ATOM
1007
C
GLN
111
36.156
26.532
5.218
1.00
35.25
A

ATOM
1008
O
GLN
111
36.077
27.761
5.230
1.00
38.78
A

ATOM
1009
N
MET
112
35.237
25.743
5.776
1.00
33.55
A

ATOM
1010
H
MET
112
35.323
24.770
5.705
0.00
0.00
A

ATOM
1011
CA
MET
112
34.090
26.297
6.475
1.00
30.11
A

ATOM
1012
CB
MET
112
33.205
25.195
7.024
1.00
29.21
A

ATOM
1013
CG
MET
112
32.389
24.461
6.012
1.00
31.09
A

ATOM
1014
SD
MET
112
31.371
23.267
6.864
1.00
32.08
A

ATOM
1015
CE
MET
112
30.700
22.432
5.550
1.00
34.82
A

ATOM
1016
C
MET
112
34.612
27.105
7.647
1.00
31.63
A

ATOM
1017
O
MET
112
34.166
28.230
7.872
1.00
34.86
A

ATOM
1018
N
ARG
113
35.570
26.545
8.387
1.00
28.98
A

ATOM
1019
H
ARG
113
35.907
25.667
8.135
0.00
0.00
A

ATOM
1020
CA
ARG
113
36.125
27.241
9.539
1.00
29.61
A

ATOM
1021
CB
ARG
113
37.091
26.362
10.293
1.00
24.87
A

ATOM
1022
CG
ARG
113
36.433
25.157
10.821
1.00
26.17
A

ATOM
1023
CD
ARG
113
37.400
24.320
11.569
1.00
25.46
A

ATOM
1024
NE
ARG
113
37.801
24.989
12.781
1.00
25.23
A

ATOM
1025
HE
ARG
113
37.143
25.600
13.186
0.00
0.00
A

ATOM
1026
CZ
ARG
113
38.984
24.819
13.348
1.00
29.97
A

ATOM
1027
NH1
ARG
113
39.287
25.469
14.467
1.00
29.51
A

ATOM
1028
HH11
ARG
113
38.598
26.100
14.864
0.00
0.00
A

ATOM
1029
HH12
ARG
113
40.146
25.380
14.976
0.00
0.00
A

ATOM
1030
NH2
ARG
113
39.874
24.018
12.769
1.00
30.83
A

ATOM
1031
HH21
ARG
113
39.638
23.537
11.925
0.00
0.00
A

ATOM
1032
HH22
ARG
113
40.765
23.851
13.191
0.00
0.00
A

ATOM
1033
C
ARG
113
36.823
28.512
9.128
1.00
33.63
A

ATOM
1034
O
ARG
113
36.880
29.468
9.894
1.00
37.76
A

ATOM
1035
N
VAL
114
37.378
28.517
7.925
1.00
34.51
A

ATOM
1036
H
VAL
114
37.337
27.705
7.380
0.00
0.00
A

ATOM
1037
CA
VAL
114
38.058
29.691
7.407
1.00
33.83
A

ATOM
1038
CB
VAL
114
38.790
29.326
6.136
1.00
31.94
A

ATOM
1039
CG1
VAL
114
39.296
30.540
5.471
1.00
32.81
A

ATOM
1040
CG2
VAL
114
39.910
28.381
6.455
1.00
29.61
A

ATOM
1041
C
VAL
114
37.029
30.808
7.135
1.00
35.86
A

ATOM
1042
O
VAL
114
37.181
31.934
7.611
1.00
38.69
A

ATOM
1043
N
PHE
115
35.960
30.475
6.415
1.00
33.76
A

ATOM
1044
H
PHE
115
35.893
29.556
6.074
0.00
0.00
A

ATOM
1045
CA
PHE
115
34.898
31.422
6.104
1.00
29.82
A

ATOM
1046
CB
PHE
115
33.833
30.727
5.289
1.00
25.92
A

ATOM
1047
CG
PHE
115
34.242
30.443
3.889
1.00
27.52
A

ATOM
1048
CD1
PHE
115
33.669
29.399
3.186
1.00
30.53
A

ATOM
1049
CD2
PHE
115
35.122
31.273
3.231
1.00
28.89
A

ATOM
1050
CE1
PHE
115
33.961
29.201
1.847
1.00
29.36
A

ATOM
1051
CE2
PHE
115
35.419
31.077
1.886
1.00
30.52
A

ATOM
1052
CZ
PHE
115
34.835
30.043
1.196
1.00
29.00
A

ATOM
1053
C
PHE
115
34.245
31.998
7.348
1.00
30.97
A

ATOM
1054
O
PHE
115
34.099
33.206
7.468
1.00
33.01
A

ATOM
1055
N
ILE
116
33.827
31.127
8.261
1.00
30.32
A

ATOM
1056
H
ILE
116
33.949
30.168
8.086
0.00
0.00
A

ATOM
1057
CA
ILE
116
33.177
31.551
9.497
1.00
29.71
A

ATOM
1058
CB
ILE
116
32.698
30.342
10.340
1.00
27.98
A

ATOM
1059
CG2
ILE
116
32.160
30.820
11.686
1.00
25.27
A

ATOM
1060
CG1
ILE
116
31.636
29.549
9.569
1.00
28.72
A

ATOM
1061
CD1
ILE
116
31.217
28.223
10.202
1.00
25.58
A

ATOM
1062
C
ILE
116
34.083
32.415
10.363
1.00
31.66
A

ATOM
1063
O
ILE
116
33.651
33.435
10.885
1.00
33.57
A

ATOM
1064
N
ALA
117
35.332
31.998
10.542
1.00
33.58
A

ATOM
1065
H
ALA
117
35.646
31.169
10.121
0.00
0.00
A

ATOM
1066
CA
ALA
117
36.274
32.752
11.367
1.00
33.56
A

ATOM
1067
CB
ALA
117
37.591
32.036
11.445
1.00
33.16
A

ATOM
1068
C
ALA
117
36.459
34.131
10.768
1.00
34.96
A

ATOM
1069
O
ALA
117
36.542
35.114
11.485
1.00
34.09
A

ATOM
1070
N
GLU
118
36.521
34.200
9.445
1.00
38.60
A

ATOM
1071
H
GLU
118
36.502
33.388
8.895
0.00
0.00
A

ATOM
1072
CA
GLU
118
36.663
35.482
8.776
1.00
41.62
A

ATOM
1073
CB
GLU
118
36.803
35.319
7.256
1.00
47.56
A

ATOM
1074
CG
GLU
118
38.174
34.811
6.773
1.00
56.80
A

ATOM
1075
CD
GLU
118
38.308
34.765
5.241
1.00
61.74
A

ATOM
1076
OE1
GLU
118
39.392
34.331
4.767
1.00
61.62
A

ATOM
1077
OE2
GLU
118
37.341
35.158
4.521
1.00
63.72
A

ATOM
1078
C
GLU
118
35.419
36.294
9.084
1.00
41.15
A

ATOM
1079
O
GLU
118
35.513
37.359
9.670
1.00
43.82
A

ATOM
1080
N
ASP
119
34.255
35.755
8.740
1.00
39.27
A

ATOM
1081
H
ASP
119
34.234
34.883
8.303
0.00
0.00
A

ATOM
1082
CA
ASP
119
32.984
36.425
8.967
1.00
36.68
A

ATOM
1083
CB
ASP
119
31.843
35.489
8.623
1.00
35.65
A

ATOM
1084
CG
ASP
119
31.684
35.289
7.160
1.00
35.37
A

ATOM
1085
OD1
ASP
119
30.883
34.412
6.802
1.00
35.02
A

ATOM
1086
OD2
ASP
119
32.330
36.007
6.363
1.00
34.03
A

ATOM
1087
C
ASP
119
32.765
36.953
10.379
1.00
37.89
A

ATOM
1088
O
ASP
119
32.116
37.977
10.562
1.00
39.62
A

ATOM
1089
N
LEU
120
33.256
36.233
11.382
1.00
39.17
A

ATOM
1090
H
LEU
120
33.716
35.396
11.169
0.00
0.00
A

ATOM
1091
CA
LEU
120
33.086
36.660
12.770
1.00
40.30
A

ATOM
1092
CB
LEU
120
32.832
35.452
13.680
1.00
38.20
A

ATOM
1093
CG
LEU
120
31.609
34.574
13.405
1.00
36.15
A

ATOM
1094
CD1
LEU
120
31.608
33.441
14.402
1.00
35.67
A

ATOM
1095
CD2
LEU
120
30.327
35.372
13.500
1.00
32.68
A

ATOM
1096
C
LEU
120
34.302
37.441
13.263
1.00
41.35
A

ATOM
1097
O
LEU
120
34.300
37.982
14.380
1.00
44.52
A

ATOM
1098
N
GLY
121
35.339
37.477
12.428
1.00
41.49
A

ATOM
1099
H
GLY
121
35.288
37.011
11.571
0.00
0.00
A

ATOM
1100
CA
GLY
121
36.570
38.177
12.751
1.00
40.36
A

ATOM
1101
C
GLY
121
37.202
37.615
13.998
1.00
40.60
A

ATOM
1102
O
GLY
121
37.603
38.359
14.884
1.00
45.36
A

ATOM
1103
N
CYS
122
37.276
36.296
14.078
1.00
40.11
A

ATOM
1104
H
CYS
122
36.996
35.742
13.318
0.00
0.00
A

ATOM
1105
CA
CYS
122
37.843
35.638
15.239
1.00
40.44
A

ATOM
1106
CB
CYS
122
36.773
34.834
15.969
1.00
38.95
A

ATOM
1107
SG
CYS
122
36.224
33.385
15.070
1.00
38.21
A

ATOM
1108
C
CYS
122
38.899
34.693
14.753
1.00
41.47
A

ATOM
1109
O
CYS
122
39.078
34.509
13.556
1.00
43.15
A

ATOM
1110
N
HIS
123
39.619
34.084
15.670
1.00
43.34
A

ATOM
1111
H
HIS
123
39.435
34.204
16.629
0.00
0.00
A

ATOM
1112
CA
HIS
123
40.615
33.168
15.216
1.00
46.15
A

ATOM
1113
CB
HIS
123
41.707
32.984
16.258
1.00
55.20
A

ATOM
1114
CG
HIS
123
42.845
32.151
15.766
1.00
65.25
A

ATOM
1115
CD2
HIS
123
43.505
32.165
14.581
1.00
68.81
A

ATOM
1116
ND1
HIS
123
43.385
31.111
16.495
1.00
69.72
A

ATOM
1117
HD1
HIS
123
43.151
30.843
17.421
0.00
0.00
A

ATOM
1118
CE1
HIS
123
44.325
30.518
15.780
1.00
73.65
A

ATOM
1119
NE2
HIS
123
44.418
31.138
14.615
1.00
74.10
A

ATOM
1120
HE2
HIS
123
45.059
30.922
13.895
0.00
0.00
A

ATOM
1121
C
HIS
123
39.905
31.859
14.946
1.00
45.53
A

ATOM
1122
O
HIS
123
38.883
31.559
15.554
1.00
45.19
A

ATOM
1123
N
MET
124
40.433
31.087
14.011
1.00
44.71
A

ATOM
1124
H
MET
124
41.168
31.408
13.457
0.00
0.00
A

ATOM
1125
CA
MET
124
39.842
29.803
13.699
1.00
43.94
A

ATOM
1126
CB
MET
124
40.689
29.043
12.691
1.00
44.83
A

ATOM
1127
CG
MET
124
40.226
29.177
11.272
1.00
48.83
A

ATOM
1128
SD
MET
124
41.194
28.108
10.232
1.00
55.06
A

ATOM
1129
CE
MET
124
40.418
26.538
10.543
1.00
54.48
A

ATOM
1130
C
MET
124
39.701
28.952
14.941
1.00
43.43
A

ATOM
1131
O
MET
124
38.770
28.163
15.039
1.00
43.92
A

ATOM
1132
N
ASP
125
40.617
29.104
15.893
1.00
42.07
A

ATOM
1133
H
ASP
125
41.327
29.752
15.802
0.00
0.00
A

ATOM
1134
CA
ASP
125
40.540
28.296
17.092
1.00
42.75
A

ATOM
1135
CB
ASP
125
41.783
28.445
17.966
1.00
51.71
A

ATOM
1136
CG
ASP
125
41.918
27.290
18.965
1.00
63.91
A

ATOM
1137
OD1
ASP
125
42.404
26.211
18.550
1.00
72.36
A

ATOM
1138
OD2
ASP
125
41.492
27.413
20.146
1.00
68.02
A

ATOM
1139
C
ASP
125
39.275
28.566
17.898
1.00
40.22
A

ATOM
1140
O
ASP
125
38.916
27.808
18.800
1.00
39.87
A

ATOM
1141
N
ASP
126
38.570
29.630
17.566
1.00
36.36
A

ATOM
1142
H
ASP
126
38.835
30.255
16.875
0.00
0.00
A

ATOM
1143
CA
ASP
126
37.357
29.913
18.290
1.00
34.77
A

ATOM
1144
CB
ASP
126
37.197
31.407
18.514
1.00
39.84
A

ATOM
1145
CG
ASP
126
38.231
31.961
19.454
1.00
41.87
A

ATOM
1146
OD1
ASP
126
38.670
33.108
19.218
1.00
46.83
A

ATOM
1147
OD2
ASP
126
38.624
31.242
20.406
1.00
45.78
A

ATOM
1148
C
ASP
126
36.173
29.383
17.535
1.00
32.72
A

ATOM
1149
O
ASP
126
35.037
29.567
17.962
1.00
33.59
A

ATOM
1150
N
VAL
127
36.437
28.719
16.415
1.00
30.83
A

ATOM
1151
H
VAL
127
37.358
28.608
16.139
0.00
0.00
A

ATOM
1152
CA
VAL
127
35.382
28.155
15.583
1.00
29.48
A

ATOM
1153
CB
VAL
127
35.352
28.826
14.220
1.00
27.48
A

ATOM
1154
CG1
VAL
127
34.149
28.372
13.452
1.00
29.76
A

ATOM
1155
CG2
VAL
127
35.310
30.319
14.385
1.00
32.92
A

ATOM
1156
C
VAL
127
35.547
26.654
15.360
1.00
30.10
A

ATOM
1157
O
VAL
127
36.587
26.198
14.882
1.00
30.13
A

ATOM
1158
N
ASN
128
34.524
25.885
15.713
1.00
30.26
A

ATOM
1159
H
ASN
128
33.722
26.267
16.136
0.00
0.00
A

ATOM
1160
CA
ASN
128
34.566
24.444
15.511
1.00
30.42
A

ATOM
1161
CB
ASN
128
34.684
23.721
16.846
1.00
34.46
A

ATOM
1162
CG
ASN
128
34.899
22.228
16.681
1.00
36.26
A

ATOM
1163
OD1
ASN
128
35.990
21.773
16.332
1.00
37.23
A

ATOM
1164
ND2
ASN
128
33.864
21.457
16.951
1.00
40.11
A

ATOM
1165
HD21
ASN
128
33.050
21.909
17.254
0.00
0.00
A

ATOM
1166
HD22
ASN
128
33.967
20.488
16.845
0.00
0.00
A

ATOM
1167
C
ASN
128
33.314
23.986
14.758
1.00
29.41
A

ATOM
1168
O
ASN
128
32.218
24.491
14.994
1.00
33.57
A

ATOM
1169
N
VAL
129
33.490
23.081
13.806
1.00
25.98
A

ATOM
1170
H
VAL
129
34.374
22.691
13.636
0.00
0.00
A

ATOM
1171
CA
VAL
129
32.384
22.562
13.014
1.00
22.72
A

ATOM
1172
CB
VAL
129
32.470
23.039
11.574
1.00
18.54
A

ATOM
1173
CG1
VAL
129
31.390
22.408
10.758
1.00
16.76
A

ATOM
1174
CG2
VAL
129
32.375
24.526
11.513
1.00
18.49
A

ATOM
1175
C
VAL
129
32.589
21.063
12.990
1.00
25.37
A

ATOM
1176
O
VAL
129
33.728
20.601
12.883
1.00
28.16
A

ATOM
1177
N
LYS
130
31.526
20.294
13.153
1.00
24.23
A

ATOM
1178
H
LYS
130
30.631
20.675
13.253
0.00
0.00
A

ATOM
1179
CA
LYS
130
31.685
18.854
13.105
1.00
27.49
A

ATOM
1180
CB
LYS
130
31.827
18.244
14.493
1.00
30.39
A

ATOM
1181
CG
LYS
130
30.645
18.386
15.400
1.00
34.45
A

ATOM
1182
CD
LYS
130
30.994
17.827
16.767
1.00
34.01
A

ATOM
1183
CE
LYS
130
31.450
18.918
17.693
1.00
34.22
A

ATOM
1184
NZ
LYS
130
30.340
19.883
17.905
1.00
30.81
A

ATOM
1185
HZ1
LYS
130
30.709
20.550
18.610
0.00
0.00
A

ATOM
1186
HZ2
LYS
130
29.512
19.440
18.320
0.00
0.00
A

ATOM
1187
HZ3
LYS
130
30.149
20.490
17.088
0.00
0.00
A

ATOM
1188
C
LYS
130
30.514
18.290
12.364
1.00
28.74
A

ATOM
1189
O
LYS
130
29.607
19.049
11.997
1.00
31.31
A

ATOM
1190
N
ALA
131
30.537
16.987
12.097
1.00
27.87
A

ATOM
1191
H
ALA
131
31.279
16.408
12.419
0.00
0.00
A

ATOM
1192
CA
ALA
131
29.451
16.368
11.350
1.00
29.02
A

ATOM
1193
CB
ALA
131
29.796
16.298
9.890
1.00
24.98
A

ATOM
1194
C
ALA
131
29.084
14.999
11.864
1.00
31.32
A

ATOM
1195
O
ALA
131
29.923
14.290
12.435
1.00
34.62
A

ATOM
1196
N
THR
132
27.823
14.634
11.644
1.00
33.28
A

ATOM
1197
H
THR
132
27.206
15.237
11.177
0.00
0.00
A

ATOM
1198
CA
THR
132
27.293
13.354
12.074
1.00
36.07
A

ATOM
1199
CB
THR
132
26.783
13.438
13.521
1.00
37.37
A

ATOM
1200
OG1
THR
132
26.402
12.131
13.961
1.00
42.55
A

ATOM
1201
HG1
THR
132
25.519
11.835
13.717
0.00
0.00
A

ATOM
1202
CG2
THR
132
25.573
14.370
13.626
1.00
37.24
A

ATOM
1203
C
THR
132
26.154
12.862
11.182
1.00
39.30
A

ATOM
1204
O
THR
132
25.457
13.654
10.540
1.00
40.63
A

ATOM
1205
N
THR
133
25.931
11.550
11.216
1.00
43.16
A

ATOM
1206
H
THR
133
26.487
10.995
11.807
0.00
0.00
A

ATOM
1207
CA
THR
133
24.884
10.866
10.448
1.00
44.61
A

ATOM
1208
CB
THR
133
25.461
9.607
9.806
1.00
45.68
A

ATOM
1209
OG1
THR
133
26.458
9.968
8.856
1.00
54.55
A

ATOM
1210
HG1
THR
133
26.114
10.493
8.124
0.00
0.00
A

ATOM
1211
CG2
THR
133
24.420
8.831
9.119
1.00
49.24
A

ATOM
1212
C
THR
133
23.817
10.368
11.408
1.00
44.26
A

ATOM
1213
O
THR
133
24.092
10.174
12.591
1.00
46.81
A

ATOM
1214
N
THR
134
22.603
10.167
10.919
1.00
42.50
A

ATOM
1215
H
THR
134
22.346
10.415
10.010
0.00
0.00
A

ATOM
1216
CA
THR
134
21.563
9.619
11.774
1.00
42.96
A

ATOM
1217
CB
THR
134
20.257
10.360
11.568
1.00
41.63
A

ATOM
1218
OG1
THR
134
20.101
10.678
10.178
1.00
42.80
A

ATOM
1219
HG1
THR
134
19.147
10.832
10.070
0.00
0.00
A

ATOM
1220
CG2
THR
134
20.282
11.623
12.357
1.00
40.56
A

ATOM
1221
C
THR
134
21.416
8.113
11.467
1.00
44.93
A

ATOM
1222
O
THR
134
20.389
7.492
11.758
1.00
46.76
A

ATOM
1223
N
GLU
135
22.494
7.535
10.934
1.00
44.61
A

ATOM
1224
H
GLU
135
23.331
8.015
10.930
0.00
0.00
A

ATOM
1225
CA
GLU
135
22.596
6.128
10.542
1.00
45.80
A

ATOM
1226
CB
GLU
135
22.879
5.238
11.757
1.00
48.20
A

ATOM
1227
CG
GLU
135
24.045
5.682
12.655
1.00
55.67
A

ATOM
1228
CD
GLU
135
25.427
5.492
12.043
1.00
60.08
A

ATOM
1229
OE1
GLU
135
25.708
6.096
10.982
1.00
67.29
A

ATOM
1230
OE2
GLU
135
26.245
4.756
12.639
1.00
63.15
A

ATOM
1231
C
GLU
135
21.384
5.621
9.760
1.00
46.06
A

ATOM
1232
O
GLU
135
20.798
4.586
10.088
1.00
47.45
A

ATOM
1233
N
LYS
136
21.046
6.339
8.693
1.00
44.79
A

ATOM
1234
H
LYS
136
21.610
7.085
8.444
0.00
0.00
A

ATOM
1235
CA
LYS
136
19.907
6.009
7.843
1.00
44.04
A

ATOM
1236
CB
LYS
136
19.966
4.561
7.374
1.00
47.65
A

ATOM
1237
CG
LYS
136
21.094
4.237
6.396
1.00
53.89
A

ATOM
1238
CD
LYS
136
20.770
4.670
4.977
1.00
59.40
A

ATOM
1239
CE
LYS
136
21.820
4.126
3.999
1.00
67.26
A

ATOM
1240
NZ
LYS
136
21.523
4.435
2.551
1.00
70.49
A

ATOM
1241
HZ1
LYS
136
22.266
4.037
1.943
0.00
0.00
A

ATOM
1242
HZ2
LYS
136
21.500
5.471
2.451
0.00
0.00
A

ATOM
1243
HZ3
LYS
136
20.593
4.048
2.297
0.00
0.00
A

ATOM
1244
C
LYS
136
18.555
6.299
8.493
1.00
43.12
A

ATOM
1245
O
LYS
136
17.538
6.317
7.808
1.00
45.73
A

ATOM
1246
N
LEU
137
18.538
6.545
9.799
1.00
39.95
A

ATOM
1247
H
LEU
137
19.346
6.519
10.343
0.00
0.00
A

ATOM
1248
CA
LEU
137
17.294
6.870
10.488
1.00
36.53
A

ATOM
1249
CB
LEU
137
17.444
6.691
12.004
1.00
34.12
A

ATOM
1250
CG
LEU
137
17.855
5.322
12.499
1.00
30.87
A

ATOM
1251
CD1
LEU
137
17.749
5.271
13.979
1.00
31.56
A

ATOM
1252
CD2
LEU
137
16.937
4.318
11.915
1.00
31.30
A

ATOM
1253
C
LEU
137
16.873
8.317
10.222
1.00
34.78
A

ATOM
1254
O
LEU
137
17.716
9.229
10.144
1.00
33.11
A

ATOM
1255
N
GLY
138
15.568
8.517
10.074
1.00
31.84
A

ATOM
1256
H
GLY
138
14.999
7.723
10.080
0.00
0.00
A

ATOM
1257
CA
GLY
138
15.037
9.858
9.884
1.00
31.47
A

ATOM
1258
C
GLY
138
15.017
10.507
8.518
1.00
31.07
A

ATOM
1259
O
GLY
138
15.489
9.938
7.546
1.00
34.43
A

ATOM
1260
N
PHE
139
14.463
11.712
8.441
1.00
29.27
A

ATOM
1261
H
PHE
139
14.141
12.161
9.248
0.00
0.00
A

ATOM
1262
CA
PHE
139
14.391
12.394
7.174
1.00
29.25
A

ATOM
1263
CB
PHE
139
13.594
13.690
7.255
1.00
32.54
A

ATOM
1264
CG
PHE
139
14.283
14.815
7.980
1.00
35.05
A

ATOM
1265
CD1
PHE
139
15.221
15.607
7.332
1.00
34.64
A

ATOM
1266
CD2
PHE
139
13.900
15.160
9.278
1.00
34.02
A

ATOM
1267
CE1
PHE
139
15.759
16.730
7.958
1.00
36.71
A

ATOM
1268
CE2
PHE
139
14.435
16.284
9.919
1.00
34.42
A

ATOM
1269
CZ
PHE
139
15.363
17.073
9.257
1.00
36.02
A

ATOM
1270
C
PHE
139
15.782
12.638
6.703
1.00
30.10
A

ATOM
1271
O
PHE
139
16.039
12.644
5.517
1.00
32.97
A

ATOM
1272
N
THR
140
16.690
12.842
7.640
1.00
30.55
A

ATOM
1273
H
THR
140
16.473
12.864
8.590
0.00
0.00
A

ATOM
1274
CA
THR
140
18.076
13.050
7.272
1.00
33.04
A

ATOM
1275
CB
THR
140
18.933
13.553
8.445
1.00
29.98
A

ATOM
1276
OG1
THR
140
18.696
12.727
9.594
1.00
34.35
A

ATOM
1277
HG1
THR
140
19.306
13.027
10.280
0.00
0.00
A

ATOM
1278
CG2
THR
140
18.629
14.995
8.753
1.00
22.60
A

ATOM
1279
C
THR
140
18.599
11.686
6.856
1.00
34.77
A

ATOM
1280
O
THR
140
19.274
11.569
5.832
1.00
39.03
A

ATOM
1281
N
GLY
141
18.283
10.663
7.649
1.00
33.47
A

ATOM
1282
H
GLY
141
17.761
10.805
8.462
0.00
0.00
A

ATOM
1283
CA
GLY
141
18.735
9.319
7.345
1.00
32.17
A

ATOM
1284
C
GLY
141
18.267
8.866
5.983
1.00
33.73
A

ATOM
1285
O
GLY
141
18.980
8.183
5.254
1.00
36.15
A

ATOM
1286
N
ARG
142
17.082
9.311
5.604
1.00
34.72
A

ATOM
1287
H
ARG
142
16.606
9.934
6.163
0.00
0.00
A

ATOM
1288
CA
ARG
142
16.522
8.948
4.324
1.00
35.05
A

ATOM
1289
CB
ARG
142
15.016
8.995
4.390
1.00
33.09
A

ATOM
1290
CG
ARG
142
14.440
7.902
5.210
1.00
37.43
A

ATOM
1291
CD
ARG
142
12.948
7.895
5.008
1.00
42.67
A

ATOM
1292
NE
ARG
142
12.404
9.168
5.433
1.00
43.43
A

ATOM
1293
HE
ARG
142
12.291
9.825
4.718
0.00
0.00
A

ATOM
1294
CZ
ARG
142
12.091
9.439
6.687
1.00
44.72
A

ATOM
1295
NH1
ARG
142
11.626
10.639
7.006
1.00
45.73
A

ATOM
1296
HH11
ARG
142
11.578
11.299
6.217
0.00
0.00
A

ATOM
1297
HH12
ARG
142
11.382
10.960
7.905
0.00
0.00
A

ATOM
1298
NH2
ARG
142
12.224
8.492
7.609
1.00
45.65
A

ATOM
1299
HH21
ARG
142
12.565
7.593
7.312
0.00
0.00
A

ATOM
1300
HH22
ARG
142
12.006
8.608
8.569
0.00
0.00
A

ATOM
1301
C
ARG
142
16.995
9.884
3.235
1.00
36.23
A

ATOM
1302
O
ARG
142
16.518
9.826
2.109
1.00
40.53
A

ATOM
1303
N
GLY
143
17.909
10.774
3.571
1.00
34.81
A

ATOM
1304
H
GLY
143
18.252
10.797
4.479
0.00
0.00
A

ATOM
1305
CA
GLY
143
18.408
11.699
2.581
1.00
35.64
A

ATOM
1306
C
GLY
143
17.370
12.681
2.074
1.00
36.73
A

ATOM
1307
O
GLY
143
17.464
13.134
0.925
1.00
40.69
A

ATOM
1308
N
GLU
144
16.398
13.025
2.914
1.00
35.49
A

ATOM
1309
H
GLU
144
16.358
12.581
3.771
0.00
0.00
A

ATOM
1310
CA
GLU
144
15.362
13.975
2.542
1.00
33.73
A

ATOM
1311
CB
GLU
144
14.083
13.671
3.289
1.00
31.22
A

ATOM
1312
CG
GLU
144
13.645
12.261
3.107
1.00
35.07
A

ATOM
1313
CD
GLU
144
12.391
11.933
3.864
1.00
39.55
A

ATOM
1314
OE1
GLU
144
11.683
10.998
3.433
1.00
41.84
A

ATOM
1315
OE2
GLU
144
12.110
12.577
4.904
1.00
42.38
A

ATOM
1316
C
GLU
144
15.773
15.417
2.803
1.00
34.19
A

ATOM
1317
O
GLU
144
15.193
16.333
2.235
1.00
38.36
A

ATOM
1318
N
GLY
145
16.779
15.627
3.641
1.00
32.32
A

ATOM
1319
H
GLY
145
17.248
14.881
4.071
0.00
0.00
A

ATOM
1320
CA
GLY
145
17.206
16.980
3.945
1.00
30.14
A

ATOM
1321
C
GLY
145
18.418
16.972
4.847
1.00
31.35
A

ATOM
1322
O
GLY
145
18.949
15.899
5.159
1.00
33.79
A

ATOM
1323
N
ILE
146
18.874
18.156
5.242
1.00
30.57
A

ATOM
1324
H
ILE
146
18.407
18.973
4.959
0.00
0.00
A

ATOM
1325
CA
ILE
146
20.041
18.284
6.110
1.00
31.73
A

ATOM
1326
CB
ILE
146
21.255
18.934
5.379
1.00
33.69
A

ATOM
1327
CG2
ILE
146
22.311
19.384
6.377
1.00
34.94
A

ATOM
1328
CG1
ILE
146
21.912
17.941
4.423
1.00
34.49
A

ATOM
1329
CD1
ILE
146
23.121
18.503
3.704
1.00
34.89
A

ATOM
1330
C
ILE
146
19.656
19.180
7.258
1.00
31.78
A

ATOM
1331
O
ILE
146
19.002
20.205
7.056
1.00
36.22
A

ATOM
1332
N
ALA
147
20.057
18.803
8.463
1.00
29.08
A

ATOM
1333
H
ALA
147
20.614
18.001
8.569
0.00
0.00
A

ATOM
1334
CA
ALA
147
19.753
19.601
9.637
1.00
27.19
A

ATOM
1335
CB
ALA
147
18.973
18.782
10.624
1.00
25.22
A

ATOM
1336
C
ALA
147
21.080
20.017
10.233
1.00
27.00
A

ATOM
1337
O
ALA
147
22.115
19.458
9.875
1.00
29.62
A

ATOM
1338
N
CYS
148
21.069
20.997
11.126
1.00
27.21
A

ATOM
1339
H
CYS
148
20.230
21.447
11.363
0.00
0.00
A

ATOM
1340
CA
CYS
148
22.299
21.442
11.765
1.00
28.02
A

ATOM
1341
CB
CYS
148
23.018
22.446
10.877
1.00
30.78
A

ATOM
1342
SG
CYS
148
24.648
22.936
11.456
1.00
40.03
A

ATOM
1343
C
CYS
148
21.992
22.076
13.111
1.00
28.21
A

ATOM
1344
O
CYS
148
20.912
22.630
13.307
1.00
30.03
A

ATOM
1345
N
GLU
149
22.920
21.958
14.052
1.00
27.43
A

ATOM
1346
H
GLU
149
23.755
21.489
13.862
0.00
0.00
A

ATOM
1347
CA
GLU
149
22.749
22.546
15.378
1.00
27.03
A

ATOM
1348
CB
GLU
149
22.647
21.471
16.439
1.00
25.66
A

ATOM
1349
CG
GLU
149
21.384
20.714
16.386
1.00
31.88
A

ATOM
1350
CD
GLU
149
20.895
20.385
17.755
1.00
34.90
A

ATOM
1351
OE1
GLU
149
20.892
21.295
18.603
1.00
38.22
A

ATOM
1352
OE2
GLU
149
20.551
19.219
17.988
1.00
38.19
A

ATOM
1353
C
GLU
149
23.971
23.381
15.673
1.00
26.40
A

ATOM
1354
O
GLU
149
25.038
23.122
15.119
1.00
29.71
A

ATOM
1355
N
ALA
150
23.848
24.336
16.581
1.00
22.85
A

ATOM
1356
H
ALA
150
22.988
24.481
17.031
0.00
0.00
A

ATOM
1357
CA
ALA
150
24.983
25.171
16.911
1.00
23.70
A

ATOM
1358
CB
ALA
150
25.135
26.271
15.879
1.00
23.80
A

ATOM
1359
C
ALA
150
24.848
25.785
18.280
1.00
26.05
A

ATOM
1360
O
ALA
150
23.732
25.989
18.778
1.00
27.61
A

ATOM
1361
N
VAL
151
25.986
26.016
18.922
1.00
26.79
A

ATOM
1362
H
VAL
151
26.850
25.784
18.520
0.00
0.00
A

ATOM
1363
CA
VAL
151
25.985
26.675
20.215
1.00
28.64
A

ATOM
1364
CB
VAL
151
26.298
25.747
21.376
1.00
26.52
A

ATOM
1365
CG1
VAL
151
25.164
24.778
21.556
1.00
25.94
A

ATOM
1366
CG2
VAL
151
27.620
25.058
21.168
1.00
25.61
A

ATOM
1367
C
VAL
151
27.047
27.733
20.113
1.00
30.50
A

ATOM
1368
O
VAL
151
27.991
27.577
19.338
1.00
33.35
A

ATOM
1369
N
ALA
152
26.852
28.832
20.836
1.00
30.80
A

ATOM
1370
H
ALA
152
26.061
28.889
21.417
0.00
0.00
A

ATOM
1371
CA
ALA
152
27.786
29.950
20.839
1.00
30.69
A

ATOM
1372
CB
ALA
152
27.315
31.025
19.915
1.00
29.59
A

ATOM
1373
C
ALA
152
27.868
30.509
22.231
1.00
31.01
A

ATOM
1374
O
ALA
152
26.945
30.357
23.022
1.00
34.37
A

ATOM
1375
N
LEU
153
28.986
31.141
22.533
1.00
30.94
A

ATOM
1376
H
LEU
153
29.701
31.205
21.866
0.00
0.00
A

ATOM
1377
CA
LEU
153
29.179
31.749
23.823
1.00
30.88
A

ATOM
1378
CB
LEU
153
30.164
30.933
24.625
1.00
34.85
A

ATOM
1379
CG
LEU
153
30.532
31.379
26.034
1.00
40.14
A

ATOM
1380
CD1
LEU
153
31.159
30.203
26.756
1.00
42.45
A

ATOM
1381
CD2
LEU
153
31.507
32.545
25.998
1.00
42.83
A

ATOM
1382
C
LEU
153
29.737
33.111
23.499
1.00
31.79
A

ATOM
1383
O
LEU
153
30.719
33.215
22.766
1.00
33.28
A

ATOM
1384
N
LEU
154
29.022
34.150
23.917
1.00
31.67
A

ATOM
1385
H
LEU
154
28.207
33.982
24.422
0.00
0.00
A

ATOM
1386
CA
LEU
154
29.436
35.523
23.683
1.00
29.03
A

ATOM
1387
CB
LEU
154
28.265
36.382
23.229
1.00
23.35
A

ATOM
1388
CG
LEU
154
27.591
36.013
21.914
1.00
21.34
A

ATOM
1389
CD1
LEU
154
26.422
36.940
21.678
1.00
22.18
A

ATOM
1390
CD2
LEU
154
28.561
36.091
20.777
1.00
20.06
A

ATOM
1391
C
LEU
154
29.961
36.036
25.005
1.00
30.48
A

ATOM
1392
O
LEU
154
29.595
35.533
26.068
1.00
28.15
A

ATOM
1393
N
ILE
155
30.814
37.045
24.930
1.00
34.27
A

ATOM
1394
H
ILE
155
31.029
37.431
24.063
0.00
0.00
A

ATOM
1395
CA
ILE
155
31.431
37.629
26.103
1.00
38.12
A

ATOM
1396
CB
ILE
155
32.919
37.389
26.054
1.00
39.05
A

ATOM
1397
CG2
ILE
155
33.605
38.171
27.118
1.00
40.00
A

ATOM
1398
CG1
ILE
155
33.178
35.905
26.263
1.00
44.51
A

ATOM
1399
CD1
ILE
155
34.620
35.510
26.130
1.00
53.49
A

ATOM
1400
C
ILE
155
31.158
39.116
26.193
1.00
40.33
A

ATOM
1401
O
ILE
155
30.730
39.719
25.212
1.00
46.67
A

ATOM
1402
ZN
ZN
156
17.669
27.814
7.041
1.00
51.26
A

ATOM
1403
OZN
OZN
157
16.081
28.929
7.090
1.00
41.54
A

END

[0236]

8

ANNEX 4

Coordinates of structure sub2

ATOM
1
CB
MET
1
29.901
34.119
29.417
1.00
51.95
A

ATOM
2
CG
MET
1
31.314
34.275
28.920
1.00
61.31
A

ATOM
3
SD
MET
1
32.349
32.940
29.486
1.00
73.99
A

ATOM
4
CE
MET
1
33.323
33.812
30.799
1.00
72.56
A

ATOM
5
C
MET
1
27.601
34.854
28.814
1.00
44.54
A

ATOM
6
O
MET
1
26.836
34.633
29.749
1.00
45.32
A

ATOM
7
HT1
MET
1
28.755
35.983
30.994
0.00
0.00
A

ATOM
8
HT2
MET
1
28.575
37.193
29.843
0.00
0.00
A

ATOM
9
N
MET
1
29.162
36.383
30.112
1.00
46.93
A

ATOM
10
HT3
MET
1
30.142
36.655
30.281
0.00
0.00
A

ATOM
11
CA
MET
1
29.030
35.314
29.069
1.00
47.91
A

ATOM
12
N
ARG
2
27.244
34.723
27.541
1.00
41.96
A

ATOM
13
H
ARG
2
27.883
34.853
26.810
0.00
0.00
A

ATOM
14
CA
ARG
2
25.902
34.305
27.153
1.00
38.93
A

ATOM
15
CB
ARG
2
25.140
35.473
26.525
1.00
38.22
A

ATOM
16
CG
ARG
2
24.814
36.535
27.557
1.00
39.75
A

ATOM
17
CD
ARG
2
24.023
37.671
26.992
1.00
44.11
A

ATOM
18
NE
ARG
2
22.700
37.251
26.554
1.00
47.84
A

ATOM
19
HE
ARG
2
22.635
36.711
25.750
0.00
0.00
A

ATOM
20
CZ
ARG
2
21.574
37.498
27.212
1.00
49.14
A

ATOM
21
NH1
ARG
2
20.418
37.068
26.707
1.00
47.55
A

ATOM
22
HH11
ARG
2
20.344
36.512
25.869
0.00
0.00
A

ATOM
23
HH12
ARG
2
19.552
37.270
27.172
0.00
0.00
A

ATOM
24
NH2
ARG
2
21.618
38.100
28.404
1.00
48.99
A

ATOM
25
HH21
ARG
2
22.469
38.362
28.849
0.00
0.00
A

ATOM
26
HH22
ARG
2
20.783
38.311
28.949
0.00
0.00
A

ATOM
27
C
ARG
2
25.946
33.106
26.229
1.00
36.54
A

ATOM
28
O
ARG
2
26.844
32.987
25.403
1.00
37.10
A

ATOM
29
N
ILE
3
24.965
32.227
26.374
1.00
34.62
A

ATOM
30
H
ILE
3
24.201
32.464
26.919
0.00
0.00
A

ATOM
31
CA
ILE
3
24.885
30.999
25.596
1.00
32.46
A

ATOM
32
CB
ILE
3
24.642
29.791
26.548
1.00
34.66
A

ATOM
33
CG2
ILE
3
23.241
29.835
27.154
1.00
34.08
A

ATOM
34
CG1
ILE
3
24.792
28.475
25.804
1.00
38.26
A

ATOM
35
CD1
ILE
3
24.435
27.286
26.668
1.00
41.98
A

ATOM
36
C
ILE
3
23.768
31.080
24.560
1.00
30.29
A

ATOM
37
O
ILE
3
22.735
31.702
24.795
1.00
29.29
A

ATOM
38
N
GLY
4
23.978
30.451
23.414
1.00
29.36
A

ATOM
39
H
GLY
4
24.816
29.967
23.256
0.00
0.00
A

ATOM
40
CA
GLY
4
22.964
30.457
22.376
1.00
28.58
A

ATOM
41
C
GLY
4
22.876
29.106
21.698
1.00
27.65
A

ATOM
42
O
GLY
4
23.847
28.345
21.702
1.00
26.35
A

ATOM
43
N
HIS
5
21.715
28.807
21.122
1.00
27.16
A

ATOM
44
H
HIS
5
21.017
29.479
21.153
0.00
0.00
A

ATOM
45
CA
HIS
5
21.473
27.549
20.415
1.00
26.76
A

ATOM
46
CB
HIS
5
20.753
26.546
21.317
1.00
26.36
A

ATOM
47
CG
HIS
5
20.244
25.344
20.584
1.00
28.76
A

ATOM
48
CD2
HIS
5
20.835
24.158
20.293
1.00
27.44
A

ATOM
49
ND1
HIS
5
18.998
25.307
19.994
1.00
28.95
A

ATOM
50
HD1
HIS
5
18.293
25.998
20.023
0.00
0.00
A

ATOM
51
CE1
HIS
5
18.845
24.153
19.366
1.00
29.15
A

ATOM
52
NE2
HIS
5
19.942
23.438
19.534
1.00
27.91
A

ATOM
53
HE2
HIS
5
19.995
22.491
19.233
0.00
0.00
A

ATOM
54
C
HIS
5
20.627
27.761
19.159
1.00
28.31
A

ATOM
55
O
HIS
5
19.624
28.492
19.190
1.00
29.43
A

ATOM
56
N
GLY
6
20.993
27.075
18.076
1.00
27.58
A

ATOM
57
H
GLY
6
21.772
26.484
18.084
0.00
0.00
A

ATOM
58
CA
GLY
6
20.246
27.174
16.834
1.00
25.72
A

ATOM
59
C
GLY
6
20.031
25.805
16.211
1.00
26.82
A

ATOM
60
O
GLY
6
20.782
24.860
16.478
1.00
26.71
A

ATOM
61
N
PHE
7
18.977
25.681
15.414
1.00
26.44
A

ATOM
62
H
PHE
7
18.404
26.455
15.239
0.00
0.00
A

ATOM
63
CA
PHE
7
18.655
24.437
14.727
1.00
26.21
A

ATOM
64
CB
PHE
7
17.696
23.578
15.564
1.00
25.04
A

ATOM
65
CG
PHE
7
17.211
22.335
14.849
1.00
26.03
A

ATOM
66
CD1
PHE
7
18.014
21.210
14.756
1.00
26.42
A

ATOM
67
CD2
PHE
7
15.964
22.309
14.230
1.00
27.92
A

ATOM
68
CE1
PHE
7
17.585
20.080
14.053
1.00
25.69
A

ATOM
69
CE2
PHE
7
15.528
21.184
13.525
1.00
26.33
A

ATOM
70
CZ
PHE
7
16.339
20.073
13.436
1.00
25.32
A

ATOM
71
C
PHE
7
17.994
24.814
13.409
1.00
27.17
A

ATOM
72
O
PHE
7
17.152
25.715
13.383
1.00
29.65
A

ATOM
73
N
ASP
8
18.385
24.154
12.321
1.00
27.46
A

ATOM
74
H
ASP
8
19.081
23.466
12.377
0.00
0.00
A

ATOM
75
CA
ASP
8
17.794
24.429
11.013
1.00
26.30
A

ATOM
76
CB
ASP
8
18.580
25.521
10.289
1.00
26.02
A

ATOM
77
CG
ASP
8
17.821
26.107
9.106
1.00
29.20
A

ATOM
78
OD1
ASP
8
18.477
26.665
8.210
1.00
30.79
A

ATOM
79
OD2
ASP
8
16.573
26.016
9.053
1.00
28.76
A

ATOM
80
C
ASP
8
17.727
23.160
10.153
1.00
28.12
A

ATOM
81
O
ASP
8
18.476
22.193
10.383
1.00
28.21
A

ATOM
82
N
VAL
9
16.803
23.157
9.190
1.00
27.98
A

ATOM
83
H
VAL
9
16.246
23.963
9.099
0.00
0.00
A

ATOM
84
CA
VAL
9
16.589
22.035
8.272
1.00
26.18
A

ATOM
85
CB
VAL
9
15.421
21.108
8.750
1.00
23.97
A

ATOM
86
CG1
VAL
9
15.052
20.107
7.679
1.00
21.03
A

ATOM
87
CG2
VAL
9
15.802
20.365
10.001
1.00
23.62
A

ATOM
88
C
VAL
9
16.210
22.579
6.892
1.00
28.29
A

ATOM
89
O
VAL
9
15.542
23.617
6.787
1.00
29.03
A

ATOM
90
N
HIS
10
16.718
21.931
5.843
1.00
29.48
A

ATOM
91
H
HIS
10
17.323
21.170
6.005
0.00
0.00
A

ATOM
92
CA
HIS
10
16.397
22.277
4.451
1.00
29.70
A

ATOM
93
CB
HIS
10
17.402
23.251
3.829
1.00
28.20
A

ATOM
94
CG
HIS
10
17.204
24.661
4.289
1.00
28.51
A

ATOM
95
CD2
HIS
10
17.950
25.450
5.099
1.00
28.35
A

ATOM
96
ND1
HIS
10
16.053
25.367
4.022
1.00
26.73
A

ATOM
97
HD1
HIS
10
15.275
25.035
3.499
0.00
0.00
A

ATOM
98
CE1
HIS
10
16.095
26.528
4.654
1.00
28.80
A

ATOM
99
NE2
HIS
10
17.236
26.605
5.317
1.00
29.81
A

ATOM
100
C
HIS
10
16.266
20.991
3.657
1.00
29.38
A

ATOM
101
O
HIS
10
16.982
20.025
3.903
1.00
31.41
A

ATOM
102
N
ALA
11
15.269
20.942
2.793
1.00
28.56
A

ATOM
103
H
ALA
11
14.682
21.714
2.678
0.00
0.00
A

ATOM
104
CA
ALA
11
15.010
19.763
2.005
1.00
28.78
A

ATOM
105
CB
ALA
11
13.534
19.680
1.712
1.00
28.47
A

ATOM
106
C
ALA
11
15.793
19.772
0.710
1.00
30.66
A

ATOM
107
O
ALA
11
16.061
20.835
0.157
1.00
32.69
A

ATOM
108
N
PHE
12
16.176
18.587
0.236
1.00
31.94
A

ATOM
109
H
PHE
12
15.945
17.777
0.736
0.00
0.00
A

ATOM
110
CA
PHE
12
16.895
18.467
−1.027
1.00
30.85
A

ATOM
111
CB
PHE
12
17.467
17.064
−1.218
1.00
28.19
A

ATOM
112
CG
PHE
12
18.711
16.791
−0.423
1.00
26.27
A

ATOM
113
CD1
PHE
12
19.845
17.568
−0.590
1.00
26.30
A

ATOM
114
CD2
PHE
12
18.747
15.751
0.492
1.00
24.96
A

ATOM
115
CE1
PHE
12
20.994
17.314
0.147
1.00
26.02
A

ATOM
116
CE2
PHE
12
19.888
15.489
1.232
1.00
24.00
A

ATOM
117
CZ
PHE
12
21.014
16.272
1.061
1.00
25.64
A

ATOM
118
C
PHE
12
15.905
18.748
−2.146
1.00
34.42
A

ATOM
119
O
PHE
12
14.701
18.473
−2.027
1.00
33.62
A

ATOM
120
N
GLY
13
16.417
19.301
−3.233
1.00
38.09
A

ATOM
121
H
GLY
13
17.362
19.521
−3.309
0.00
0.00
A

ATOM
122
CA
GLY
13
15.586
19.619
−4.369
1.00
41.96
A

ATOM
123
C
GLY
13
16.460
20.198
−5.457
1.00
47.40
A

ATOM
124
O
GLY
13
17.369
20.998
−5.188
1.00
48.26
A

ATOM
125
N
GLY
14
16.219
19.754
−6.685
1.00
51.00
A

ATOM
126
H
GLY
14
15.534
19.072
−6.822
0.00
0.00
A

ATOM
127
CA
GLY
14
16.981
20.244
−7.819
1.00
54.43
A

ATOM
128
C
GLY
14
18.339
19.598
−7.971
1.00
55.17
A

ATOM
129
O
GLY
14
18.607
18.543
−7.390
1.00
55.12
A

ATOM
130
N
GLU
15
19.189
20.240
−8.762
1.00
56.65
A

ATOM
131
H
GLU
15
18.933
21.076
−9.191
0.00
0.00
A

ATOM
132
CA
GLU
15
20.529
19.739
−9.012
1.00
59.30
A

ATOM
133
CB
GLU
15
20.998
20.119
−10.429
1.00
66.59
A

ATOM
134
CG
GLU
15
20.049
19.727
−11.572
1.00
75.54
A

ATOM
135
CD
GLU
15
19.773
18.227
−11.635
1.00
82.06
A

ATOM
136
OE1
GLU
15
18.577
17.839
−11.666
1.00
85.07
A

ATOM
137
OE2
GLU
15
20.750
17.441
−11.655
1.00
85.89
A

ATOM
138
C
GLU
15
21.462
20.361
−7.992
1.00
56.38
A

ATOM
139
O
GLU
15
21.152
21.410
−7.417
1.00
55.64
A

ATOM
140
N
GLY
16
22.595
19.703
−7.764
1.00
53.51
A

ATOM
141
H
GLY
16
22.742
18.859
−8.243
0.00
0.00
A

ATOM
142
CA
GLY
16
23.576
20.213
−6.826
1.00
48.86
A

ATOM
143
C
GLY
16
24.335
21.384
−7.419
1.00
46.05
A

ATOM
144
O
GLY
16
23.995
21.854
−8.505
1.00
46.93
A

ATOM
145
N
CPR
17
25.381
21.875
−6.745
1.00
41.98
A

ATOM
146
CD
CPR
17
26.230
22.931
−7.320
1.00
38.18
A

ATOM
147
CA
CPR
17
25.921
21.427
−5.464
1.00
40.25
A

ATOM
148
CB
CPR
17
27.331
22.001
−5.500
1.00
39.59
A

ATOM
149
CG
CPR
17
27.106
23.313
−6.159
1.00
37.38
A

ATOM
150
C
CPR
17
25.124
22.048
−4.322
1.00
39.21
A

ATOM
151
O
CPR
17
24.114
22.727
−4.549
1.00
42.64
A

ATOM
152
N
ILE
18
25.558
21.796
−3.096
1.00
35.06
A

ATOM
153
H
ILE
18
26.352
21.237
−2.955
0.00
0.00
A

ATOM
154
CA
ILE
18
24.903
22.375
−1.943
1.00
31.00
A

ATOM
155
CB
ILE
18
24.475
21.307
−0.920
1.00
29.20
A

ATOM
156
CG2
ILE
18
23.503
20.336
−1.544
1.00
24.80
A

ATOM
157
CG1
ILE
18
25.688
20.556
−0.394
1.00
27.99
A

ATOM
158
CD1
ILE
18
25.327
19.431
0.531
1.00
30.35
A

ATOM
159
C
ILE
18
25.952
23.282
−1.334
1.00
31.49
A

ATOM
160
O
ILE
18
27.141
23.120
−1.607
1.00
31.50
A

ATOM
161
N
ILE
19
25.510
24.297
−0.601
1.00
31.64
A

ATOM
162
H
ILE
19
24.551
24.419
−0.477
0.00
0.00
A

ATOM
163
CA
ILE
19
26.423
25.221
0.062
1.00
30.03
A

ATOM
164
CB
ILE
19
26.064
26.692
−0.211
1.00
28.04
A

ATOM
165
CG2
ILE
19
27.195
27.586
0.233
1.00
25.62
A

ATOM
166
CG1
ILE
19
25.771
26.916
−1.693
1.00
27.90
A

ATOM
167
CD1
ILE
19
26.928
26.664
−2.606
1.00
32.79
A

ATOM
168
C
ILE
19
26.236
24.965
1.554
1.00
30.99
A

ATOM
169
O
ILE
19
25.130
25.135
2.071
1.00
31.55
A

ATOM
170
N
ILE
20
27.284
24.485
2.224
1.00
29.49
A

ATOM
171
H
ILE
20
28.125
24.325
1.745
0.00
0.00
A

ATOM
172
CA
ILE
20
27.226
24.210
3.657
1.00
27.71
A

ATOM
173
CB
ILE
20
27.295
22.696
3.946
1.00
28.08
A

ATOM
174
CG2
ILE
20
27.168
22.445
5.441
1.00
27.99
A

ATOM
175
CG1
ILE
20
26.155
21.954
3.241
1.00
28.59
A

ATOM
176
CD1
ILE
20
24.767
22.281
3.779
1.00
27.82
A

ATOM
177
C
ILE
20
28.406
24.896
4.342
1.00
28.33
A

ATOM
178
O
ILE
20
29.559
24.647
3.996
1.00
30.80
A

ATOM
179
N
GLY
21
28.126
25.781
5.293
1.00
27.29
A

ATOM
180
H
GLY
21
27.196
25.996
5.487
0.00
0.00
A

ATOM
181
CA
GLY
21
29.200
26.468
5.982
1.00
24.90
A

ATOM
182
C
GLY
21
29.965
27.309
4.991
1.00
26.52
A

ATOM
183
O
GLY
21
31.171
27.497
5.119
1.00
27.51
A

ATOM
184
N
GLY
22
29.260
27.766
3.961
1.00
28.13
A

ATOM
185
H
GLY
22
28.316
27.533
3.902
0.00
0.00
A

ATOM
186
CA
GLY
22
29.860
28.600
2.933
1.00
28.76
A

ATOM
187
C
GLY
22
30.574
27.862
1.818
1.00
30.76
A

ATOM
188
O
GLY
22
30.915
28.475
0.803
1.00
31.99
A

ATOM
189
N
VAL
23
30.783
26.556
1.981
1.00
30.76
A

ATOM
190
H
VAL
23
30.458
26.110
2.794
0.00
0.00
A

ATOM
191
CA
VAL
23
31.482
25.745
0.982
1.00
30.13
A

ATOM
192
CB
VAL
23
32.328
24.633
1.665
1.00
28.58
A

ATOM
193
CG1
VAL
23
33.072
23.791
0.636
1.00
26.24
A

ATOM
194
CG2
VAL
23
33.307
25.249
2.628
1.00
28.33
A

ATOM
195
C
VAL
23
30.542
25.099
−0.037
1.00
32.52
A

ATOM
196
O
VAL
23
29.489
24.559
0.324
1.00
35.28
A

ATOM
197
N
ARG
24
30.905
25.204
−1.312
1.00
32.27
A

ATOM
198
H
ARG
24
31.697
25.706
−1.525
0.00
0.00
A

ATOM
199
CA
ARG
24
30.133
24.611
−2.394
1.00
32.99
A

ATOM
200
CB
ARG
24
30.454
25.320
−3.716
1.00
34.44
A

ATOM
201
CG
ARG
24
29.969
24.576
−4.950
1.00
43.97
A

ATOM
202
CD
ARG
24
30.272
25.306
−6.266
1.00
49.15
A

ATOM
203
NE
ARG
24
29.186
26.213
−6.620
1.00
56.66
A

ATOM
204
HE
ARG
24
29.027
26.942
−5.965
0.00
0.00
A

ATOM
205
CZ
ARG
24
28.450
26.118
−7.725
1.00
59.52
A

ATOM
206
NH1
ARG
24
27.473
26.989
−7.944
1.00
62.24
A

ATOM
207
HH11
ARG
24
27.301
27.710
−7.262
0.00
0.00
A

ATOM
208
HH12
ARG
24
26.880
26.965
−8.749
0.00
0.00
A

ATOM
209
NH2
ARG
24
28.703
25.175
−8.625
1.00
62.44
A

ATOM
210
HH21
ARG
24
29.465
24.536
−8.477
0.00
0.00
A

ATOM
211
HH22
ARG
24
28.196
25.039
−9.475
0.00
0.00
A

ATOM
212
C
ARG
24
30.543
23.138
−2.420
1.00
31.90
A

ATOM
213
O
ARG
24
31.680
22.808
−2.735
1.00
35.52
A

ATOM
214
N
ILE
25
29.646
22.265
−2.001
1.00
30.22
A

ATOM
215
H
ILE
25
28.794
22.583
−1.686
0.00
0.00
A

ATOM
216
CA
ILE
25
29.928
20.842
−1.940
1.00
27.76
A

ATOM
217
CB
ILE
25
29.494
20.290
−0.580
1.00
25.24
A

ATOM
218
CG2
ILE
25
29.629
18.791
−0.553
1.00
24.77
A

ATOM
219
CG1
ILE
25
30.311
20.949
0.529
1.00
23.49
A

ATOM
220
CD1
ILE
25
29.856
20.596
1.911
1.00
20.35
A

ATOM
221
C
ILE
25
29.209
20.079
−3.042
1.00
29.39
A

ATOM
222
O
ILE
25
27.995
20.165
−3.172
1.00
31.21
A

ATOM
223
N
PRO
26
29.947
19.314
−3.855
1.00
29.44
A

ATOM
224
CD
PRO
26
31.402
19.076
−3.879
1.00
29.27
A

ATOM
225
CA
PRO
26
29.283
18.569
−4.922
1.00
28.82
A

ATOM
226
CB
PRO
26
30.462
17.949
−5.676
1.00
27.61
A

ATOM
227
CG
PRO
26
31.492
17.768
−4.613
1.00
26.77
A

ATOM
228
C
PRO
26
28.320
17.506
−4.387
1.00
30.28
A

ATOM
229
O
PRO
26
28.654
16.764
−3.452
1.00
30.06
A

ATOM
230
N
TYR
27
27.131
17.443
−4.985
1.00
31.36
A

ATOM
231
H
TYR
27
26.895
18.049
−5.716
0.00
0.00
A

ATOM
232
CA
TYR
27
26.109
16.475
−4.599
1.00
33.90
A

ATOM
233
CB
TYR
27
25.397
16.926
−3.325
1.00
32.99
A

ATOM
234
CG
TYR
27
24.571
15.844
−2.675
1.00
33.62
A

ATOM
235
CD1
TYR
27
25.134
14.609
−2.362
1.00
31.53
A

ATOM
236
CE1
TYR
27
24.380
13.612
−1.753
1.00
33.64
A

ATOM
237
CD2
TYR
27
23.227
16.057
−2.363
1.00
34.10
A

ATOM
238
CE2
TYR
27
22.466
15.066
−1.756
1.00
33.94
A

ATOM
239
CZ
TYR
27
23.047
13.847
−1.455
1.00
33.03
A

ATOM
240
OH
TYR
27
22.289
12.858
−0.869
1.00
35.70
A

ATOM
241
HH
TYR
27
22.815
12.037
−0.905
0.00
0.00
A

ATOM
242
C
TYR
27
25.080
16.300
−5.715
1.00
36.08
A

ATOM
243
O
TYR
27
24.841
17.222
−6.496
1.00
35.64
A

ATOM
244
N
GLU
28
24.466
15.120
−5.773
1.00
39.68
A

ATOM
245
H
GLU
28
24.709
14.446
−5.110
0.00
0.00
A

ATOM
246
CA
GLU
28
23.457
14.817
−6.792
1.00
43.54
A

ATOM
247
CB
GLU
28
22.796
13.466
−6.530
1.00
48.67
A

ATOM
248
CG
GLU
28
23.613
12.452
−5.734
1.00
59.51
A

ATOM
249
CD
GLU
28
22.725
11.415
−5.030
1.00
64.56
A

ATOM
250
OE1
GLU
28
23.244
10.673
−4.165
1.00
68.33
A

ATOM
251
OE2
GLU
28
21.502
11.363
−5.311
1.00
67.63
A

ATOM
252
C
GLU
28
22.355
15.864
−6.764
1.00
42.81
A

ATOM
253
O
GLU
28
22.010
16.456
−7.781
1.00
44.92
A

ATOM
254
N
LYS
29
21.808
16.074
−5.576
1.00
41.78
A

ATOM
255
H
LYS
29
22.182
15.602
−4.812
0.00
0.00
A

ATOM
256
CA
LYS
29
20.728
17.019
−5.380
1.00
40.44
A

ATOM
257
CB
LYS
29
19.562
16.344
−4.623
1.00
42.02
A

ATOM
258
CG
LYS
29
19.918
15.045
−3.848
1.00
43.63
A

ATOM
259
CD
LYS
29
18.654
14.302
−3.366
1.00
44.92
A

ATOM
260
CE
LYS
29
18.937
12.905
−2.776
1.00
45.07
A

ATOM
261
NZ
LYS
29
19.609
12.859
−1.433
1.00
43.53
A

ATOM
262
HZ1
LYS
29
19.010
13.300
−0.700
0.00
0.00
A

ATOM
263
HZ2
LYS
29
20.566
13.276
−1.435
0.00
0.00
A

ATOM
264
HZ3
LYS
29
19.741
11.864
−1.181
0.00
0.00
A

ATOM
265
C
LYS
29
21.195
18.278
−4.662
1.00
38.70
A

ATOM
266
O
LYS
29
22.275
18.304
−4.070
1.00
38.52
A

ATOM
267
N
GLY
30
20.403
19.336
−4.781
1.00
36.86
A

ATOM
268
H
GLY
30
19.591
19.275
−5.325
0.00
0.00
A

ATOM
269
CA
GLY
30
20.715
20.587
−4.121
1.00
36.05
A

ATOM
270
C
GLY
30
19.758
20.776
−2.959
1.00
36.31
A

ATOM
271
O
GLY
30
18.996
19.859
−2.634
1.00
36.03
A

ATOM
272
N
LEU
31
19.798
21.945
−2.323
1.00
35.97
A

ATOM
273
H
LEU
31
20.400
22.650
−2.637
0.00
0.00
A

ATOM
274
CA
LEU
31
18.914
22.240
−1.193
1.00
34.62
A

ATOM
275
CB
LEU
31
19.724
22.648
0.035
1.00
29.44
A

ATOM
276
CG
LEU
31
20.483
21.537
0.742
1.00
26.01
A

ATOM
277
CD1
LEU
31
21.379
22.131
1.805
1.00
29.50
A

ATOM
278
CD2
LEU
31
19.509
20.576
1.356
1.00
23.88
A

ATOM
279
C
LEU
31
17.926
23.348
−1.528
1.00
35.56
A

ATOM
280
O
LEU
31
18.297
24.361
−2.110
1.00
36.85
A

ATOM
281
N
LEU
32
16.669
23.148
−1.159
1.00
37.12
A

ATOM
282
H
LEU
32
16.442
22.325
−0.710
0.00
0.00
A

ATOM
283
CA
LEU
32
15.618
24.132
−1.396
1.00
39.24
A

ATOM
284
CB
LEU
32
14.277
23.414
−1.482
1.00
37.00
A

ATOM
285
CG
LEU
32
14.127
22.336
−2.552
1.00
38.26
A

ATOM
286
CD1
LEU
32
12.832
21.589
−2.322
1.00
37.26
A

ATOM
287
CD2
LEU
32
14.148
22.958
−3.944
1.00
36.58
A

ATOM
288
C
LEU
32
15.554
25.170
−0.260
1.00
42.63
A

ATOM
289
O
LEU
32
15.531
24.800
0.923
1.00
45.83
A

ATOM
290
N
ALA
33
15.521
26.458
−0.602
1.00
44.75
A

ATOM
291
H
ALA
33
15.591
26.743
−1.540
0.00
0.00
A

ATOM
292
CA
ALA
33
15.425
27.526
0.402
1.00
47.26
A

ATOM
293
CB
ALA
33
16.647
27.514
1.311
1.00
45.99
A

ATOM
294
C
ALA
33
15.277
28.897
−0.256
1.00
49.59
A

ATOM
295
O
ALA
33
15.514
29.031
−1.460
1.00
53.59
A

ATOM
296
N
HIS
34
14.857
29.899
0.524
1.00
50.40
A

ATOM
297
H
HIS
34
14.609
29.689
1.449
0.00
0.00
A

ATOM
298
CA
HIS
34
14.707
31.276
0.030
1.00
49.48
A

ATOM
299
CB
HIS
34
14.095
32.172
1.118
1.00
52.23
A

ATOM
300
CG
HIS
34
13.797
33.574
0.669
1.00
55.73
A

ATOM
301
CD2
HIS
34
14.028
34.768
1.269
1.00
55.33
A

ATOM
302
ND1
HIS
34
13.144
33.862
−0.512
1.00
56.32
A

ATOM
303
HD1
HIS
34
12.807
33.202
−1.155
0.00
0.00
A

ATOM
304
CE1
HIS
34
12.983
35.170
−0.617
1.00
55.92
A

ATOM
305
NE2
HIS
34
13.510
35.742
0.450
1.00
55.37
A

ATOM
306
HE2
HIS
34
13.455
36.698
0.689
0.00
0.00
A

ATOM
307
C
HIS
34
16.084
31.825
−0.375
1.00
48.04
A

ATOM
308
O
HIS
34
16.233
32.417
−1.447
1.00
47.66
A

ATOM
309
N
SER
35
17.064
31.655
0.513
1.00
45.72
A

ATOM
310
H
SER
35
16.861
31.192
1.328
0.00
0.00
A

ATOM
311
CA
SER
35
18.443
32.088
0.302
1.00
42.28
A

ATOM
312
CB
SER
35
19.103
32.385
1.655
1.00
41.47
A

ATOM
313
OG
SER
35
19.299
31.196
2.417
1.00
40.82
A

ATOM
314
HG
SER
35
20.253
31.032
2.279
0.00
0.00
A

ATOM
315
C
SER
35
19.143
30.911
−0.366
1.00
41.34
A

ATOM
316
O
SER
35
18.487
30.084
−0.996
1.00
41.92
A

ATOM
317
N
ASP
36
20.459
30.812
−0.207
1.00
40.50
A

ATOM
318
H
ASP
36
20.985
31.498
0.266
0.00
0.00
A

ATOM
319
CA
ASP
36
21.219
29.698
−0.777
1.00
39.44
A

ATOM
320
CB
ASP
36
22.716
30.014
−0.792
1.00
37.49
A

ATOM
321
CG
ASP
36
23.253
30.347
0.576
1.00
37.91
A

ATOM
322
OD1
ASP
36
24.428
30.743
0.667
1.00
37.37
A

ATOM
323
OD2
ASP
36
22.500
30.237
1.569
1.00
39.99
A

ATOM
324
C
ASP
36
20.963
28.393
−0.004
1.00
39.66
A

ATOM
325
O
ASP
36
21.522
27.346
−0.342
1.00
40.47
A

ATOM
326
N
GLY
37
20.167
28.484
1.066
1.00
38.52
A

ATOM
327
H
GLY
37
19.842
29.366
1.310
0.00
0.00
A

ATOM
328
CA
GLY
37
19.814
27.318
1.858
1.00
33.83
A

ATOM
329
C
GLY
37
20.889
26.709
2.729
1.00
32.50
A

ATOM
330
O
GLY
37
20.755
25.565
3.165
1.00
33.84
A

ATOM
331
N
ASP
38
21.924
27.476
3.039
1.00
29.56
A

ATOM
332
H
ASP
38
22.009
28.376
2.654
0.00
0.00
A

ATOM
333
CA
ASP
38
23.012
26.987
3.871
1.00
28.09
A

ATOM
334
CB
ASP
38
24.115
28.032
3.906
1.00
25.91
A

ATOM
335
CG
ASP
38
25.415
27.486
4.404
1.00
27.62
A

ATOM
336
OD1
ASP
38
25.413
26.678
5.354
1.00
30.71
A

ATOM
337
OD2
ASP
38
26.459
27.889
3.860
1.00
28.67
A

ATOM
338
C
ASP
38
22.524
26.660
5.286
1.00
29.07
A

ATOM
339
O
ASP
38
22.465
27.532
6.156
1.00
31.45
A

ATOM
340
N
VAL
39
22.178
25.399
5.517
1.00
29.41
A

ATOM
341
H
VAL
39
22.300
24.797
4.752
0.00
0.00
A

ATOM
342
CA
VAL
39
21.664
24.952
6.813
1.00
28.18
A

ATOM
343
CB
VAL
39
21.356
23.441
6.830
1.00
28.03
A

ATOM
344
CG1
VAL
39
20.262
23.154
7.820
1.00
26.99
A

ATOM
345
CG2
VAL
39
20.972
22.955
5.476
1.00
31.58
A

ATOM
346
C
VAL
39
22.610
25.206
7.979
1.00
28.87
A

ATOM
347
O
VAL
39
22.158
25.495
9.085
1.00
29.58
A

ATOM
348
N
ALA
40
23.913
25.069
7.743
1.00
27.43
A

ATOM
349
H
ALA
40
24.207
24.891
6.824
0.00
0.00
A

ATOM
350
CA
ALA
40
24.906
25.255
8.793
1.00
26.33
A

ATOM
351
CB
ALA
40
26.258
24.740
8.338
1.00
27.11
A

ATOM
352
C
ALA
40
25.033
26.696
9.256
1.00
27.55
A

ATOM
353
O
ALA
40
25.112
26.964
10.452
1.00
30.12
A

ATOM
354
N
LEU
41
25.073
27.631
8.315
1.00
28.00
A

ATOM
355
H
LEU
41
25.012
27.380
7.363
0.00
0.00
A

ATOM
356
CA
LEU
41
25.204
29.028
8.686
1.00
25.15
A

ATOM
357
CB
LEU
41
25.715
29.863
7.519
1.00
24.20
A

ATOM
358
CG
LEU
41
27.127
29.499
7.041
1.00
21.87
A

ATOM
359
CD1
LEU
41
27.556
30.512
6.014
1.00
22.20
A

ATOM
360
CD2
LEU
41
28.120
29.468
8.181
1.00
18.94
A

ATOM
361
C
LEU
41
23.923
29.596
9.281
1.00
26.22
A

ATOM
362
O
LEU
41
23.986
30.470
10.148
1.00
27.34
A

ATOM
363
N
HIS
42
22.768
29.084
8.856
1.00
25.42
A

ATOM
364
H
HIS
42
22.808
28.399
8.155
0.00
0.00
A

ATOM
365
CA
HIS
42
21.496
29.538
9.423
1.00
25.30
A

ATOM
366
CB
HIS
42
20.303
28.915
8.715
1.00
23.59
A

ATOM
367
CG
HIS
42
20.087
29.418
7.323
1.00
23.47
A

ATOM
368
CD2
HIS
42
20.777
30.321
6.586
1.00
23.78
A

ATOM
369
ND1
HIS
42
19.052
28.975
6.524
1.00
25.59
A

ATOM
370
CE1
HIS
42
19.121
29.586
5.352
1.00
24.57
A

ATOM
371
NE2
HIS
42
20.156
30.407
5.365
1.00
21.77
A

ATOM
372
HE2
HIS
42
20.494
31.003
4.641
0.00
0.00
A

ATOM
373
C
HIS
42
21.460
29.116
10.886
1.00
26.73
A

ATOM
374
O
HIS
42
21.210
29.929
11.767
1.00
29.62
A

ATOM
375
N
ALA
43
21.743
27.846
11.149
1.00
26.96
A

ATOM
376
H
ALA
43
21.940
27.211
10.427
0.00
0.00
A

ATOM
377
CA
ALA
43
21.750
27.352
12.516
1.00
25.91
A

ATOM
378
CB
ALA
43
22.094
25.895
12.540
1.00
22.86
A

ATOM
379
C
ALA
43
22.755
28.159
13.336
1.00
27.38
A

ATOM
380
O
ALA
43
22.438
28.619
14.436
1.00
29.77
A

ATOM
381
N
LEU
44
23.944
28.382
12.784
1.00
26.03
A

ATOM
382
H
LEU
44
24.154
27.999
11.906
0.00
0.00
A

ATOM
383
CA
LEU
44
24.959
29.159
13.486
1.00
26.04
A

ATOM
384
CB
LEU
44
26.246
29.229
12.665
1.00
22.73
A

ATOM
385
CG
LEU
44
27.363
30.088
13.268
1.00
21.49
A

ATOM
386
CD1
LEU
44
27.660
29.649
14.686
1.00
20.77
A

ATOM
387
CD2
LEU
44
28.609
29.987
12.421
1.00
19.56
A

ATOM
388
C
LEU
44
24.456
30.571
13.794
1.00
28.03
A

ATOM
389
O
LEU
44
24.657
31.089
14.891
1.00
29.75
A

ATOM
390
N
THR
45
23.795
31.189
12.825
1.00
30.23
A

ATOM
391
H
THR
45
23.647
30.748
11.967
0.00
0.00
A

ATOM
392
CA
THR
45
23.258
32.533
12.993
1.00
30.10
A

ATOM
393
CB
THR
45
22.616
33.023
11.680
1.00
30.18
A

ATOM
394
OG1
THR
45
23.557
32.858
10.610
1.00
29.12
A

ATOM
395
HG1
THR
45
24.395
33.235
10.880
0.00
0.00
A

ATOM
396
CG2
THR
45
22.218
34.497
11.783
1.00
29.79
A

ATOM
397
C
THR
45
22.241
32.596
14.140
1.00
30.61
A

ATOM
398
O
THR
45
22.292
33.507
14.969
1.00
32.51
A

ATOM
399
N
ASP
46
21.332
31.631
14.202
1.00
28.53
A

ATOM
400
H
ASP
46
21.299
30.931
13.514
0.00
0.00
A

ATOM
401
CA
ASP
46
20.340
31.599
15.264
1.00
27.70
A

ATOM
402
CB
ASP
46
19.374
30.437
15.056
1.00
31.90
A

ATOM
403
CG
ASP
46
18.164
30.824
14.247
1.00
33.90
A

ATOM
404
OD1
ASP
46
17.313
29.942
13.982
1.00
34.98
A

ATOM
405
OD2
ASP
46
18.050
32.010
13.888
1.00
32.31
A

ATOM
406
C
ASP
46
20.989
31.449
16.628
1.00
27.67
A

ATOM
407
O
ASP
46
20.486
31.966
17.619
1.00
28.04
A

ATOM
408
N
ALA
47
22.076
30.690
16.686
1.00
27.06
A

ATOM
409
H
ALA
47
22.389
30.265
15.858
0.00
0.00
A

ATOM
410
CA
ALA
47
22.782
30.472
17.940
1.00
27.96
A

ATOM
411
CB
ALA
47
23.892
29.466
17.751
1.00
28.03
A

ATOM
412
C
ALA
47
23.349
31.779
18.461
1.00
29.48
A

ATOM
413
O
ALA
47
23.220
32.092
19.648
1.00
29.95
A

ATOM
414
N
LEU
48
23.995
32.526
17.569
1.00
29.29
A

ATOM
415
H
LEU
48
24.078
32.185
16.651
0.00
0.00
A

ATOM
416
CA
LEU
48
24.590
33.815
17.907
1.00
27.88
A

ATOM
417
CB
LEU
48
25.437
34.313
16.740
1.00
26.78
A

ATOM
418
CG
LEU
48
26.695
33.509
16.409
1.00
24.39
A

ATOM
419
CD1
LEU
48
27.110
33.769
14.975
1.00
23.93
A

ATOM
420
CD2
LEU
48
27.809
33.871
17.375
1.00
23.36
A

ATOM
421
C
LEU
48
23.518
34.846
18.268
1.00
28.23
A

ATOM
422
O
LEU
48
23.640
35.541
19.272
1.00
29.88
A

ATOM
423
N
LEU
49
22.464
34.938
17.459
1.00
28.64
A

ATOM
424
H
LEU
49
22.419
34.364
16.668
0.00
0.00
A

ATOM
425
CA
LEU
49
21.369
35.875
17.723
1.00
28.80
A

ATOM
426
CB
LEU
49
20.330
35.847
16.598
1.00
26.37
A

ATOM
427
CG
LEU
49
20.770
36.482
15.281
1.00
26.75
A

ATOM
428
CD1
LEU
49
19.720
36.320
14.187
1.00
24.67
A

ATOM
429
CD2
LEU
49
21.070
37.934
15.533
1.00
25.61
A

ATOM
430
C
LEU
49
20.697
35.499
19.031
1.00
30.26
A

ATOM
431
O
LEU
49
20.340
36.361
19.822
1.00
32.05
A

ATOM
432
N
GLY
50
20.525
34.203
19.253
1.00
31.75
A

ATOM
433
H
GLY
50
20.799
33.555
18.576
0.00
0.00
A

ATOM
434
CA
GLY
50
19.911
33.736
20.480
1.00
32.95
A

ATOM
435
C
GLY
50
20.707
34.137
21.711
1.00
33.57
A

ATOM
436
O
GLY
50
20.143
34.610
22.699
1.00
35.64
A

ATOM
437
N
ALA
51
22.021
33.949
21.655
1.00
33.58
A

ATOM
438
H
ALA
51
22.408
33.529
20.857
0.00
0.00
A

ATOM
439
CA
ALA
51
22.894
34.303
22.761
1.00
32.57
A

ATOM
440
CB
ALA
51
24.306
33.862
22.472
1.00
32.82
A

ATOM
441
C
ALA
51
22.850
35.806
23.007
1.00
32.83
A

ATOM
442
O
ALA
51
23.048
36.263
24.126
1.00
32.71
A

ATOM
443
N
ALA
52
22.591
36.572
21.955
1.00
32.22
A

ATOM
444
H
ALA
52
22.478
36.153
21.076
0.00
0.00
A

ATOM
445
CA
ALA
52
22.514
38.021
22.065
1.00
32.89
A

ATOM
446
CB
ALA
52
22.976
38.655
20.753
1.00
29.72
A

ATOM
447
C
ALA
52
21.091
38.499
22.411
1.00
33.63
A

ATOM
448
O
ALA
52
20.858
39.688
22.637
1.00
36.57
A

ATOM
449
N
ALA
53
20.151
37.567
22.485
1.00
33.18
A

ATOM
450
H
ALA
53
20.388
36.626
22.356
0.00
0.00
A

ATOM
451
CA
ALA
53
18.750
37.886
22.746
1.00
31.14
A

ATOM
452
CB
ALA
53
18.570
38.508
24.116
1.00
28.74
A

ATOM
453
C
ALA
53
18.243
38.820
21.647
1.00
31.82
A

ATOM
454
O
ALA
53
17.561
39.805
21.920
1.00
33.15
A

ATOM
455
N
LEU
54
18.623
38.527
20.405
1.00
31.26
A

ATOM
456
H
LEU
54
19.204
37.758
20.269
0.00
0.00
A

ATOM
457
CA
LEU
54
18.189
39.314
19.256
1.00
30.81
A

ATOM
458
CB
LEU
54
19.371
39.732
18.382
1.00
29.95
A

ATOM
459
CG
LEU
54
20.328
40.757
18.999
1.00
31.24
A

ATOM
460
CD1
LEU
54
21.412
41.134
18.018
1.00
29.58
A

ATOM
461
CD2
LEU
54
19.559
41.983
19.391
1.00
30.27
A

ATOM
462
C
LEU
54
17.133
38.584
18.424
1.00
31.59
A

ATOM
463
O
LEU
54
16.711
39.063
17.373
1.00
34.28
A

ATOM
464
N
GLY
55
16.673
37.444
18.916
1.00
32.54
A

ATOM
465
H
GLY
55
17.009
37.075
19.762
0.00
0.00
A

ATOM
466
CA
GLY
55
15.644
36.708
18.215
1.00
32.79
A

ATOM
467
C
GLY
55
16.161
35.574
17.378
1.00
35.07
A

ATOM
468
O
GLY
55
16.811
34.658
17.891
1.00
34.84
A

ATOM
469
N
ASP
56
15.832
35.617
16.093
1.00
36.63
A

ATOM
470
H
ASP
56
15.280
36.334
15.723
0.00
0.00
A

ATOM
471
CA
ASP
56
16.264
34.592
15.166
1.00
37.80
A

ATOM
472
CB
ASP
56
15.330
33.369
15.212
1.00
37.51
A

ATOM
473
CG
ASP
56
13.918
33.671
14.741
1.00
36.92
A

ATOM
474
OD1
ASP
56
13.760
34.433
13.770
1.00
35.45
A

ATOM
475
OD2
ASP
56
12.956
33.122
15.328
1.00
38.80
A

ATOM
476
C
ASP
56
16.394
35.161
13.752
1.00
38.48
A

ATOM
477
O
ASP
56
15.937
36.277
13.478
1.00
38.67
A

ATOM
478
N
ILE
57
16.968
34.354
12.862
1.00
38.06
A

ATOM
479
H
ILE
57
17.172
33.457
13.167
0.00
0.00
A

ATOM
480
CA
ILE
57
17.232
34.709
11.473
1.00
36.63
A

ATOM
481
CB
ILE
57
17.987
33.550
10.744
1.00
33.47
A

ATOM
482
CG2
ILE
57
17.035
32.445
10.316
1.00
31.29
A

ATOM
483
CG1
ILE
57
18.709
34.068
9.516
1.00
31.65
A

ATOM
484
CD1
ILE
57
19.543
33.014
8.865
1.00
32.03
A

ATOM
485
C
ILE
57
16.007
35.148
10.683
1.00
38.59
A

ATOM
486
O
ILE
57
16.077
36.115
9.933
1.00
39.40
A

ATOM
487
N
GLY
58
14.876
34.480
10.886
1.00
40.97
A

ATOM
488
H
GLY
58
14.832
33.772
11.569
0.00
0.00
A

ATOM
489
CA
GLY
58
13.672
34.835
10.158
1.00
43.78
A

ATOM
490
C
GLY
58
13.143
36.205
10.533
1.00
46.85
A

ATOM
491
O
GLY
58
12.591
36.926
9.703
1.00
48.60
A

ATOM
492
N
LYS
59
13.325
36.568
11.793
1.00
49.62
A

ATOM
493
H
LYS
59
13.760
35.937
12.412
0.00
0.00
A

ATOM
494
CA
LYS
59
12.870
37.850
12.309
1.00
51.87
A

ATOM
495
CB
LYS
59
13.018
37.852
13.826
1.00
53.55
A

ATOM
496
CG
LYS
59
12.534
39.086
14.516
1.00
56.93
A

ATOM
497
CD
LYS
59
13.206
39.156
15.859
1.00
60.39
A

ATOM
498
CE
LYS
59
12.776
40.366
16.653
1.00
62.70
A

ATOM
499
NZ
LYS
59
13.622
40.468
17.878
1.00
67.42
A

ATOM
500
HZ1
LYS
59
13.319
41.273
18.449
0.00
0.00
A

ATOM
501
HZ2
LYS
59
14.603
40.643
17.546
0.00
0.00
A

ATOM
502
HZ3
LYS
59
13.575
39.581
18.413
0.00
0.00
A

ATOM
503
C
LYS
59
13.660
39.007
11.690
1.00
52.21
A

ATOM
504
O
LYS
59
13.094
40.054
11.385
1.00
53.64
A

ATOM
505
N
LEU
60
14.968
38.815
11.529
1.00
51.56
A

ATOM
506
H
LEU
60
15.343
37.957
11.824
0.00
0.00
A

ATOM
507
CA
LEU
60
15.852
39.823
10.938
1.00
50.00
A

ATOM
508
CB
LEU
60
17.286
39.640
11.437
1.00
49.26
A

ATOM
509
CG
LEU
60
17.734
40.269
12.752
1.00
51.25
A

ATOM
510
CD1
LEU
60
16.954
39.719
13.946
1.00
51.11
A

ATOM
511
CD2
LEU
60
19.226
40.014
12.898
1.00
51.47
A

ATOM
512
C
LEU
60
15.882
39.821
9.403
1.00
49.29
A

ATOM
513
O
LEU
60
16.098
40.864
8.787
1.00
49.22
A

ATOM
514
N
PHE
61
15.735
38.649
8.791
1.00
48.60
A

ATOM
515
H
PHE
61
15.590
37.835
9.314
0.00
0.00
A

ATOM
516
CA
PHE
61
15.771
38.537
7.338
1.00
48.74
A

ATOM
517
CB
PHE
61
17.114
37.934
6.882
1.00
46.51
A

ATOM
518
CG
PHE
61
18.314
38.447
7.650
1.00
45.75
A

ATOM
519
CD1
PHE
61
18.690
39.783
7.583
1.00
43.79
A

ATOM
520
CD2
PHE
61
19.045
37.592
8.474
1.00
45.32
A

ATOM
521
CE1
PHE
61
19.772
40.261
8.330
1.00
43.44
A

ATOM
522
CE2
PHE
61
20.129
38.063
9.224
1.00
44.22
A

ATOM
523
CZ
PHE
61
20.490
39.400
9.152
1.00
43.06
A

ATOM
524
C
PHE
61
14.603
37.669
6.851
1.00
50.87
A

ATOM
525
O
PHE
61
14.787
36.517
6.485
1.00
51.44
A

ATOM
526
N
PRO
62
13.390
38.241
6.797
1.00
53.60
A

ATOM
527
CD
PRO
62
13.137
39.641
7.179
1.00
54.38
A

ATOM
528
CA
PRO
62
12.139
37.600
6.372
1.00
56.25
A

ATOM
529
CB
PRO
62
11.167
38.775
6.334
1.00
55.31
A

ATOM
530
CG
PRO
62
11.656
39.641
7.434
1.00
53.95
A

ATOM
531
C
PRO
62
12.107
36.827
5.045
1.00
59.40
A

ATOM
532
O
PRO
62
12.545
37.326
4.006
1.00
59.70
A

ATOM
533
N
ASP
63
11.501
35.639
5.095
1.00
63.52
A

ATOM
534
H
ASP
63
11.207
35.298
5.963
0.00
0.00
A

ATOM
535
CA
ASP
63
11.320
34.746
3.942
1.00
67.07
A

ATOM
536
CB
ASP
63
10.503
33.513
4.357
1.00
70.08
A

ATOM
537
CG
ASP
63
11.372
32.325
4.730
1.00
75.30
A

ATOM
538
OD1
ASP
63
12.548
32.525
5.113
1.00
79.11
A

ATOM
539
OD2
ASP
63
10.879
31.178
4.632
1.00
76.30
A

ATOM
540
C
ASP
63
10.551
35.449
2.836
1.00
68.14
A

ATOM
541
O
ASP
63
10.678
35.116
1.655
1.00
68.67
A

ATOM
542
N
THR
64
9.701
36.379
3.250
1.00
69.64
A

ATOM
543
H
THR
64
9.617
36.563
4.205
0.00
0.00
A

ATOM
544
CA
THR
64
8.862
37.158
2.350
1.00
71.34
A

ATOM
545
CB
THR
64
7.690
37.812
3.136
1.00
72.58
A

ATOM
546
OG1
THR
64
8.192
38.483
4.304
1.00
73.91
A

ATOM
547
HG1
THR
64
8.469
39.388
4.075
0.00
0.00
A

ATOM
548
CG2
THR
64
6.683
36.749
3.568
1.00
73.09
A

ATOM
549
C
THR
64
9.635
38.228
1.571
1.00
70.96
A

ATOM
550
O
THR
64
9.427
38.404
0.366
1.00
72.17
A

ATOM
551
N
ASP
65
10.536
38.922
2.260
1.00
69.78
A

ATOM
552
H
ASP
65
10.704
38.703
3.197
0.00
0.00
A

ATOM
553
CA
ASP
65
11.333
39.969
1.647
1.00
67.92
A

ATOM
554
CB
ASP
65
12.216
40.630
2.697
1.00
68.89
A

ATOM
555
CG
ASP
65
12.836
41.923
2.212
1.00
70.13
A

ATOM
556
OD1
ASP
65
13.069
42.064
0.994
1.00
71.39
A

ATOM
557
OD2
ASP
65
13.091
42.807
3.057
1.00
71.48
A

ATOM
558
C
ASP
65
12.182
39.381
0.525
1.00
67.48
A

ATOM
559
O
ASP
65
13.103
38.591
0.766
1.00
65.87
A

ATOM
560
N
PRO
66
11.876
39.764
−0.725
1.00
68.09
A

ATOM
561
CD
PRO
66
10.836
40.762
−1.038
1.00
69.04
A

ATOM
562
CA
PRO
66
12.553
39.325
−1.952
1.00
68.48
A

ATOM
563
CB
PRO
66
11.725
39.990
−3.051
1.00
68.61
A

ATOM
564
CG
PRO
66
11.265
41.254
−2.398
1.00
69.34
A

ATOM
565
C
PRO
66
14.026
39.728
−2.031
1.00
68.29
A

ATOM
566
O
PRO
66
14.769
39.246
−2.894
1.00
68.55
A

ATOM
567
N
ALA
67
14.446
40.603
−1.126
1.00
67.34
A

ATOM
568
H
ALA
67
13.825
40.985
−0.467
0.00
0.00
A

ATOM
569
CA
ALA
67
15.828
41.053
−1.079
1.00
67.20
A

ATOM
570
CB
ALA
67
15.949
42.227
−0.128
1.00
68.19
A

ATOM
571
C
ALA
67
16.744
39.912
−0.623
1.00
66.93
A

ATOM
572
O
ALA
67
17.950
39.903
−0.897
1.00
67.19
A

ATOM
573
N
PHE
68
16.157
38.941
0.065
1.00
65.52
A

ATOM
574
H
PHE
68
15.198
39.014
0.267
0.00
0.00
A

ATOM
575
CA
PHE
68
16.916
37.814
0.572
1.00
63.77
A

ATOM
576
CB
PHE
68
16.458
37.504
1.995
1.00
61.81
A

ATOM
577
CG
PHE
68
16.310
38.725
2.851
1.00
59.89
A

ATOM
578
CD1
PHE
68
15.106
39.008
3.478
1.00
59.01
A

ATOM
579
CD2
PHE
68
17.372
39.607
3.014
1.00
58.70
A

ATOM
580
CE1
PHE
68
14.962
40.153
4.257
1.00
57.86
A

ATOM
581
CE2
PHE
68
17.236
40.753
3.790
1.00
57.41
A

ATOM
582
CZ
PHE
68
16.029
41.026
4.413
1.00
57.49
A

ATOM
583
C
PHE
68
16.813
36.574
−0.304
1.00
63.76
A

ATOM
584
O
PHE
68
17.152
35.475
0.142
1.00
64.40
A

ATOM
585
N
LYS
69
16.329
36.725
−1.534
1.00
63.50
A

ATOM
586
H
LYS
69
16.112
37.613
−1.894
0.00
0.00
A

ATOM
587
CA
LYS
69
16.219
35.565
−2.409
1.00
65.34
A

ATOM
588
CB
LYS
69
15.153
35.741
−3.482
1.00
67.60
A

ATOM
589
CG
LYS
69
14.950
34.446
−4.252
1.00
72.47
A

ATOM
590
CD
LYS
69
14.094
34.620
−5.478
1.00
78.38
A

ATOM
591
CE
LYS
69
14.042
33.326
−6.276
1.00
81.66
A

ATOM
592
NZ
LYS
69
13.217
33.460
−7.511
1.00
84.90
A

ATOM
593
HZ1
LYS
69
13.217
32.558
−8.028
0.00
0.00
A

ATOM
594
HZ2
LYS
69
13.606
34.210
−8.116
0.00
0.00
A

ATOM
595
HZ3
LYS
69
12.241
33.701
−7.245
0.00
0.00
A

ATOM
596
C
LYS
69
17.554
35.232
−3.070
1.00
64.26
A

ATOM
597
O
LYS
69
18.122
36.054
−3.791
1.00
65.40
A

ATOM
598
N
GLY
70
18.018
34.003
−2.855
1.00
61.40
A

ATOM
599
H
GLY
70
17.495
33.367
−2.336
0.00
0.00
A

ATOM
600
CA
GLY
70
19.288
33.569
−3.399
1.00
57.42
A

ATOM
601
C
GLY
70
20.415
34.166
−2.577
1.00
55.41
A

ATOM
602
O
GLY
70
21.587
33.983
−2.903
1.00
56.80
A

ATOM
603
N
ALA
71
20.055
34.833
−1.480
1.00
52.44
A

ATOM
604
H
ALA
71
19.111
34.885
−1.237
0.00
0.00
A

ATOM
605
CA
ALA
71
21.015
35.491
−0.595
1.00
50.60
A

ATOM
606
CB
ALA
71
20.289
36.108
0.616
1.00
47.83
A

ATOM
607
C
ALA
71
22.159
34.587
−0.125
1.00
49.05
A

ATOM
608
O
ALA
71
21.980
33.379
0.074
1.00
50.42
A

ATOM
609
N
ASP
72
23.335
35.187
0.017
1.00
44.70
A

ATOM
610
H
ASP
72
23.427
36.145
−0.178
0.00
0.00
A

ATOM
611
CA
ASP
72
24.524
34.497
0.475
1.00
39.54
A

ATOM
612
CB
ASP
72
25.748
35.337
0.096
1.00
40.15
A

ATOM
613
CG
ASP
72
27.068
34.711
0.510
1.00
42.70
A

ATOM
614
OD1
ASP
72
27.083
33.808
1.361
1.00
47.32
A

ATOM
615
OD2
ASP
72
28.124
35.140
−0.005
1.00
44.57
A

ATOM
616
C
ASP
72
24.363
34.434
1.990
1.00
38.34
A

ATOM
617
O
ASP
72
24.429
35.464
2.664
1.00
39.34
A

ATOM
618
N
SER
73
24.143
33.242
2.537
1.00
34.94
A

ATOM
619
H
SER
73
24.098
32.444
1.958
0.00
0.00
A

ATOM
620
CA
SER
73
23.981
33.111
3.978
1.00
31.43
A

ATOM
621
CB
SER
73
23.704
31.667
4.368
1.00
30.77
A

ATOM
622
OG
SER
73
22.413
31.269
3.937
1.00
28.57
A

ATOM
623
HG
SER
73
22.695
30.522
3.393
0.00
0.00
A

ATOM
624
C
SER
73
25.150
33.681
4.777
1.00
31.01
A

ATOM
625
O
SER
73
25.014
33.953
5.972
1.00
31.19
A

ATOM
626
N
ARG
74
26.301
33.850
4.133
1.00
30.67
A

ATOM
627
H
ARG
74
26.387
33.552
3.201
0.00
0.00
A

ATOM
628
CA
ARG
74
27.457
34.440
4.801
1.00
31.01
A

ATOM
629
CB
ARG
74
28.745
34.226
4.013
1.00
28.78
A

ATOM
630
CG
ARG
74
29.279
32.814
4.094
1.00
28.19
A

ATOM
631
CD
ARG
74
30.570
32.667
3.319
1.00
28.25
A

ATOM
632
NE
ARG
74
31.666
33.385
3.960
1.00
32.00
A

ATOM
633
HE
ARG
74
31.494
33.724
4.859
0.00
0.00
A

ATOM
634
CZ
ARG
74
32.858
33.611
3.412
1.00
31.64
A

ATOM
635
NH1
ARG
74
33.781
34.272
4.099
1.00
31.03
A

ATOM
636
HH11
ARG
74
33.546
34.605
5.028
0.00
0.00
A

ATOM
637
HH12
ARG
74
34.707
34.478
3.754
0.00
0.00
A

ATOM
638
NH2
ARG
74
33.127
33.185
2.183
1.00
30.03
A

ATOM
639
HH21
ARG
74
32.443
32.686
1.634
0.00
0.00
A

ATOM
640
HH22
ARG
74
34.022
33.356
1.748
0.00
0.00
A

ATOM
641
C
ARG
74
27.188
35.924
4.954
1.00
33.03
A

ATOM
642
O
ARG
74
27.626
36.536
5.920
1.00
34.50
A

ATOM
643
N
GLU
75
26.475
36.510
3.997
1.00
36.19
A

ATOM
644
H
GLU
75
26.190
36.001
3.207
0.00
0.00
A

ATOM
645
CA
GLU
75
26.136
37.925
4.089
1.00
39.72
A

ATOM
646
CB
GLU
75
25.424
38.416
2.835
1.00
45.78
A

ATOM
647
CG
GLU
75
26.328
38.899
1.718
1.00
55.78
A

ATOM
648
CD
GLU
75
25.530
39.541
0.587
1.00
61.93
A

ATOM
649
OE1
GLU
75
25.182
40.735
0.716
1.00
66.40
A

ATOM
650
OE2
GLU
75
25.228
38.851
−0.417
1.00
64.86
A

ATOM
651
C
GLU
75
25.211
38.110
5.281
1.00
38.61
A

ATOM
652
O
GLU
75
25.344
39.074
6.035
1.00
39.33
A

ATOM
653
N
LEU
76
24.271
37.182
5.443
1.00
36.17
A

ATOM
654
H
LEU
76
24.208
36.470
4.771
0.00
0.00
A

ATOM
655
CA
LEU
76
23.330
37.230
6.555
1.00
33.67
A

ATOM
656
CB
LEU
76
22.231
36.181
6.384
1.00
35.59
A

ATOM
657
CG
LEU
76
21.335
36.255
5.142
1.00
36.44
A

ATOM
658
CD1
LEU
76
20.221
35.219
5.262
1.00
35.97
A

ATOM
659
CD2
LEU
76
20.738
37.649
5.017
1.00
37.62
A

ATOM
660
C
LEU
76
24.054
36.997
7.875
1.00
33.45
A

ATOM
661
O
LEU
76
23.716
37.602
8.893
1.00
34.12
A

ATOM
662
N
LEU
77
25.041
36.108
7.868
1.00
31.70
A

ATOM
663
H
LEU
77
25.255
35.627
7.043
0.00
0.00
A

ATOM
664
CA
LEU
77
25.794
35.831
9.077
1.00
31.76
A

ATOM
665
CB
LEU
77
26.770
34.677
8.850
1.00
29.77
A

ATOM
666
CG
LEU
77
27.678
34.328
10.033
1.00
29.16
A

ATOM
667
CD1
LEU
77
26.841
33.852
11.206
1.00
27.54
A

ATOM
668
CD2
LEU
77
28.690
33.263
9.624
1.00
29.03
A

ATOM
669
C
LEU
77
26.545
37.083
9.535
1.00
33.17
A

ATOM
670
O
LEU
77
26.462
37.482
10.698
1.00
34.87
A

ATOM
671
N
ARG
78
27.266
37.711
8.617
1.00
34.17
A

ATOM
672
H
ARG
78
27.313
37.346
7.707
0.00
0.00
A

ATOM
673
CA
ARG
78
28.022
38.910
8.940
1.00
33.92
A

ATOM
674
CB
ARG
78
28.817
39.366
7.732
1.00
33.13
A

ATOM
675
CG
ARG
78
29.974
38.451
7.422
1.00
36.28
A

ATOM
676
CD
ARG
78
30.828
39.004
6.299
1.00
36.20
A

ATOM
677
NE
ARG
78
30.890
38.074
5.181
1.00
39.52
A

ATOM
678
HE
ARG
78
31.458
37.281
5.351
0.00
0.00
A

ATOM
679
CZ
ARG
78
30.229
38.235
4.041
1.00
38.95
A

ATOM
680
NH1
ARG
78
30.340
37.319
3.083
1.00
39.89
A

ATOM
681
HH11
ARG
78
30.917
36.507
3.188
0.00
0.00
A

ATOM
682
HH12
ARG
78
29.882
37.392
2.190
0.00
0.00
A

ATOM
683
NH2
ARG
78
29.483
39.323
3.850
1.00
39.37
A

ATOM
684
HH21
ARG
78
29.426
40.057
4.547
0.00
0.00
A

ATOM
685
HH22
ARG
78
28.970
39.487
3.002
0.00
0.00
A

ATOM
686
C
ARG
78
27.157
40.045
9.470
1.00
35.08
A

ATOM
687
O
ARG
78
27.538
40.712
10.428
1.00
36.64
A

ATOM
688
N
GLU
79
25.996
40.259
8.858
1.00
35.56
A

ATOM
689
H
GLU
79
25.751
39.717
8.076
0.00
0.00
A

ATOM
690
CA
GLU
79
25.073
41.306
9.291
1.00
36.83
A

ATOM
691
CB
GLU
79
23.904
41.429
8.313
1.00
38.38
A

ATOM
692
CG
GLU
79
22.793
42.385
8.747
1.00
41.21
A

ATOM
693
CD
GLU
79
23.254
43.819
8.959
1.00
43.20
A

ATOM
694
OE1
GLU
79
24.449
44.138
8.776
1.00
44.41
A

ATOM
695
OE2
GLU
79
22.404
44.650
9.321
1.00
46.20
A

ATOM
696
C
GLU
79
24.545
41.033
10.695
1.00
38.65
A

ATOM
697
O
GLU
79
24.487
41.940
11.533
1.00
41.64
A

ATOM
698
N
ALA
80
24.141
39.788
10.942
1.00
37.65
A

ATOM
699
H
ALA
80
24.151
39.128
10.215
0.00
0.00
A

ATOM
700
CA
ALA
80
23.653
39.388
12.250
1.00
35.38
A

ATOM
701
CB
ALA
80
23.224
37.937
12.225
1.00
34.83
A

ATOM
702
C
ALA
80
24.791
39.589
13.250
1.00
35.15
A

ATOM
703
O
ALA
80
24.570
40.022
14.383
1.00
35.56
A

ATOM
704
N
TRP
81
26.017
39.312
12.817
1.00
34.64
A

ATOM
705
H
TRP
81
26.133
38.971
11.908
0.00
0.00
A

ATOM
706
CA
TRP
81
27.183
39.475
13.681
1.00
34.82
A

ATOM
707
CB
TRP
81
28.410
38.831
13.045
1.00
30.93
A

ATOM
708
CG
TRP
81
29.640
38.964
13.874
1.00
28.09
A

ATOM
709
CD2
TRP
81
29.793
38.603
15.254
1.00
27.74
A

ATOM
710
CE2
TRP
81
31.122
38.908
15.620
1.00
27.70
A

ATOM
711
CE3
TRP
81
28.936
38.051
16.217
1.00
28.86
A

ATOM
712
CD1
TRP
81
30.843
39.454
13.472
1.00
26.55
A

ATOM
713
NE1
TRP
81
31.741
39.426
14.513
1.00
27.17
A

ATOM
714
HE1
TRP
81
32.678
39.725
14.472
0.00
0.00
A

ATOM
715
CZ2
TRP
81
31.618
38.681
16.908
1.00
27.33
A

ATOM
716
CZ3
TRP
81
29.426
37.824
17.496
1.00
28.25
A

ATOM
717
CH2
TRP
81
30.757
38.140
17.829
1.00
29.54
A

ATOM
718
C
TRP
81
27.449
40.955
13.956
1.00
37.02
A

ATOM
719
O
TRP
81
27.793
41.347
15.073
1.00
37.28
A

ATOM
720
N
ARG
82
27.275
41.779
12.932
1.00
39.58
A

ATOM
721
H
ARG
82
26.983
41.412
12.076
0.00
0.00
A

ATOM
722
CA
ARG
82
27.477
43.210
13.066
1.00
41.07
A

ATOM
723
CB
ARG
82
27.180
43.909
11.746
1.00
41.46
A

ATOM
724
CG
ARG
82
27.506
45.376
11.773
1.00
46.01
A

ATOM
725
CD
ARG
82
27.003
46.091
10.533
1.00
51.38
A

ATOM
726
NE
ARG
82
25.544
46.071
10.404
1.00
54.82
A

ATOM
727
HE
ARG
82
25.199
45.599
9.617
0.00
0.00
A

ATOM
728
CZ
ARG
82
24.693
46.665
11.240
1.00
55.83
A

ATOM
729
NH1
ARG
82
23.385
46.579
11.019
1.00
56.12
A

ATOM
730
HH11
ARG
82
23.092
46.044
10.206
0.00
0.00
A

ATOM
731
HH12
ARG
82
22.678
46.985
11.590
0.00
0.00
A

ATOM
732
NH2
ARG
82
25.145
47.347
12.290
1.00
55.77
A

ATOM
733
HH21
ARG
82
26.138
47.451
12.451
0.00
0.00
A

ATOM
734
HH22
ARG
82
24.539
47.809
12.936
0.00
0.00
A

ATOM
735
C
ARG
82
26.526
43.725
14.140
1.00
42.07
A

ATOM
736
O
ARG
82
26.942
44.382
15.099
1.00
42.32
A

ATOM
737
N
ARG
83
25.251
43.391
13.996
1.00
40.81
A

ATOM
738
H
ARG
83
24.982
42.830
13.235
0.00
0.00
A

ATOM
739
CA
ARG
83
24.257
43.822
14.959
1.00
41.25
A

ATOM
740
CB
ARG
83
22.875
43.366
14.524
1.00
42.00
A

ATOM
741
CG
ARG
83
22.560
43.787
13.122
1.00
46.32
A

ATOM
742
CD
ARG
83
21.083
43.791
12.861
1.00
52.65
A

ATOM
743
NE
ARG
83
20.831
44.013
11.443
1.00
58.69
A

ATOM
744
HE
ARG
83
21.636
44.171
10.921
0.00
0.00
A

ATOM
745
CZ
ARG
83
19.639
43.938
10.857
1.00
61.36
A

ATOM
746
NH1
ARG
83
19.538
44.154
9.549
1.00
63.52
A

ATOM
747
HH11
ARG
83
20.397
44.342
9.045
0.00
0.00
A

ATOM
748
HH12
ARG
83
18.712
44.094
8.978
0.00
0.00
A

ATOM
749
NH2
ARG
83
18.554
43.656
11.574
1.00
63.61
A

ATOM
750
HH21
ARG
83
18.638
43.508
12.568
0.00
0.00
A

ATOM
751
HH22
ARG
83
17.644
43.582
11.160
0.00
0.00
A

ATOM
752
C
ARG
83
24.564
43.309
16.356
1.00
41.94
A

ATOM
753
O
ARG
83
24.422
44.040
17.341
1.00
43.82
A

ATOM
754
N
ILE
84
25.009
42.064
16.445
1.00
40.45
A

ATOM
755
H
ILE
84
25.112
41.518
15.637
0.00
0.00
A

ATOM
756
CA
ILE
84
25.318
41.481
17.737
1.00
39.83
A

ATOM
757
CB
ILE
84
25.708
40.000
17.589
1.00
39.57
A

ATOM
758
CG2
ILE
84
26.341
39.478
18.875
1.00
37.70
A

ATOM
759
CG1
ILE
84
24.476
39.179
17.209
1.00
37.44
A

ATOM
760
CD1
ILE
84
24.808
37.801
16.731
1.00
35.82
A

ATOM
761
C
ILE
84
26.428
42.265
18.421
1.00
39.86
A

ATOM
762
O
ILE
84
26.329
42.602
19.605
1.00
39.67
A

ATOM
763
N
GLN
85
27.474
42.569
17.665
1.00
40.65
A

ATOM
764
H
GLN
85
27.495
42.270
16.734
0.00
0.00
A

ATOM
765
CA
GLN
85
28.604
43.321
18.195
1.00
41.60
A

ATOM
766
CB
GLN
85
29.703
43.446
17.151
1.00
41.42
A

ATOM
767
CG
GLN
85
30.316
42.120
16.783
1.00
44.05
A

ATOM
768
CD
GLN
85
31.582
42.266
15.973
1.00
45.05
A

ATOM
769
OE1
GLN
85
32.685
42.097
16.495
1.00
46.08
A

ATOM
770
NE2
GLN
85
31.435
42.568
14.684
1.00
46.62
A

ATOM
771
HE21
GLN
85
30.533
42.677
14.326
0.00
0.00
A

ATOM
772
HE22
GLN
85
32.251
42.661
14.153
0.00
0.00
A

ATOM
773
C
GLN
85
28.166
44.699
18.648
1.00
41.58
A

ATOM
774
O
GLN
85
28.677
45.221
19.629
1.00
42.37
A

ATOM
775
N
ALA
86
27.198
45.271
17.943
1.00
42.01
A

ATOM
776
H
ALA
86
26.836
44.801
17.165
0.00
0.00
A

ATOM
777
CA
ALA
86
26.680
46.585
18.290
1.00
42.70
A

ATOM
778
CB
ALA
86
25.736
47.095
17.212
1.00
41.09
A

ATOM
779
C
ALA
86
25.971
46.521
19.635
1.00
44.14
A

ATOM
780
O
ALA
86
25.977
47.493
20.380
1.00
48.60
A

ATOM
781
N
LYS
87
25.348
45.387
19.947
1.00
44.39
A

ATOM
782
H
LYS
87
25.340
44.643
19.308
0.00
0.00
A

ATOM
783
CA
LYS
87
24.676
45.239
21.235
1.00
43.10
A

ATOM
784
CB
LYS
87
23.750
44.017
21.231
1.00
44.41
A

ATOM
785
CG
LYS
87
22.809
43.918
22.443
1.00
48.05
A

ATOM
786
CD
LYS
87
21.655
42.928
22.199
1.00
50.44
A

ATOM
787
CE
LYS
87
20.640
42.873
23.357
1.00
51.41
A

ATOM
788
NZ
LYS
87
20.871
41.761
24.340
1.00
51.41
A

ATOM
789
HZ1
LYS
87
20.144
41.811
25.101
0.00
0.00
A

ATOM
790
HZ2
LYS
87
21.801
41.751
24.801
0.00
0.00
A

ATOM
791
HZ3
LYS
87
20.727
40.855
23.864
0.00
0.00
A

ATOM
792
C
LYS
87
25.754
45.101
22.311
1.00
42.73
A

ATOM
793
O
LYS
87
25.449
44.989
23.491
1.00
44.30
A

ATOM
794
N
GLY
88
27.015
45.063
21.885
1.00
42.41
A

ATOM
795
H
GLY
88
27.235
45.082
20.940
0.00
0.00
A

ATOM
796
CA
GLY
88
28.125
44.967
22.812
1.00
42.05
A

ATOM
797
C
GLY
88
28.793
43.621
23.045
1.00
44.25
A

ATOM
798
O
GLY
88
29.630
43.509
23.944
1.00
47.95
A

ATOM
799
N
TYR
89
28.497
42.604
22.245
1.00
43.51
A

ATOM
800
H
TYR
89
27.894
42.730
21.485
0.00
0.00
A

ATOM
801
CA
TYR
89
29.121
41.306
22.489
1.00
41.00
A

ATOM
802
CB
TYR
89
28.114
40.182
22.280
1.00
39.04
A

ATOM
803
CG
TYR
89
26.854
40.335
23.077
1.00
37.49
A

ATOM
804
CD1
TYR
89
25.771
41.029
22.556
1.00
39.33
A

ATOM
805
CE1
TYR
89
24.590
41.150
23.263
1.00
40.48
A

ATOM
806
CD2
TYR
89
26.728
39.765
24.337
1.00
37.34
A

ATOM
807
CE2
TYR
89
25.544
39.878
25.059
1.00
38.70
A

ATOM
808
CZ
TYR
89
24.477
40.573
24.511
1.00
40.58
A

ATOM
809
OH
TYR
89
23.281
40.701
25.191
1.00
45.02
A

ATOM
810
HH
TYR
89
23.385
40.308
26.066
0.00
0.00
A

ATOM
811
C
TYR
89
30.340
41.023
21.637
1.00
41.02
A

ATOM
812
O
TYR
89
30.546
41.654
20.604
1.00
42.02
A

ATOM
813
N
THR
90
31.169
40.098
22.113
1.00
41.35
A

ATOM
814
H
THR
90
30.979
39.686
22.983
0.00
0.00
A

ATOM
815
CA
THR
90
32.354
39.641
21.389
1.00
41.59
A

ATOM
816
CB
THR
90
33.684
40.062
22.067
1.00
43.37
A

ATOM
817
OG1
THR
90
33.650
39.764
23.468
1.00
47.12
A

ATOM
818
HG1
THR
90
32.963
40.305
23.875
0.00
0.00
A

ATOM
819
CG2
THR
90
33.924
41.539
21.878
1.00
44.59
A

ATOM
820
C
THR
90
32.229
38.116
21.348
1.00
39.90
A

ATOM
821
O
THR
90
31.531
37.526
22.176
1.00
39.71
A

ATOM
822
N
LEU
91
32.869
37.476
20.380
1.00
37.78
A

ATOM
823
H
LEU
91
33.441
37.962
19.746
0.00
0.00
A

ATOM
824
CA
LEU
91
32.759
36.034
20.266
1.00
35.62
A

ATOM
825
CB
LEU
91
33.215
35.569
18.886
1.00
32.64
A

ATOM
826
CG
LEU
91
32.857
34.125
18.573
1.00
28.76
A

ATOM
827
CD1
LEU
91
31.371
34.029
18.296
1.00
28.90
A

ATOM
828
CD2
LEU
91
33.630
33.668
17.375
1.00
31.91
A

ATOM
829
C
LEU
91
33.535
35.268
21.318
1.00
36.43
A

ATOM
830
O
LEU
91
34.647
35.647
21.680
1.00
38.55
A

ATOM
831
N
GLY
92
32.914
34.212
21.834
1.00
36.81
A

ATOM
832
H
GLY
92
31.993
34.020
21.571
0.00
0.00
A

ATOM
833
CA
GLY
92
33.561
33.342
22.802
1.00
34.57
A

ATOM
834
C
GLY
92
34.056
32.198
21.939
1.00
33.87
A

ATOM
835
O
GLY
92
35.239
32.071
21.683
1.00
35.45
A

ATOM
836
N
ASN
93
33.129
31.388
21.449
1.00
32.44
A

ATOM
837
H
ASN
93
32.185
31.542
21.671
0.00
0.00
A

ATOM
838
CA
ASN
93
33.451
30.282
20.557
1.00
29.69
A

ATOM
839
CB
ASN
93
34.303
29.223
21.254
1.00
28.93
A

ATOM
840
CG
ASN
93
33.483
28.236
22.042
1.00
29.29
A

ATOM
841
OD1
ASN
93
33.413
27.058
21.696
1.00
28.88
A

ATOM
842
ND2
ASN
93
32.876
28.700
23.118
1.00
28.94
A

ATOM
843
HD21
ASN
93
33.048
29.633
23.365
0.00
0.00
A

ATOM
844
HD22
ASN
93
32.257
28.128
23.594
0.00
0.00
A

ATOM
845
C
ASN
93
32.124
29.704
20.084
1.00
29.73
A

ATOM
846
O
ASN
93
31.083
29.972
20.689
1.00
31.43
A

ATOM
847
N
VAL
94
32.142
29.012
18.953
1.00
29.13
A

ATOM
848
H
VAL
94
32.990
28.876
18.473
0.00
0.00
A

ATOM
849
CA
VAL
94
30.937
28.401
18.402
1.00
27.17
A

ATOM
850
CB
VAL
94
30.444
29.127
17.135
1.00
28.71
A

ATOM
851
CG1
VAL
94
30.221
30.607
17.422
1.00
28.69
A

ATOM
852
CG2
VAL
94
31.424
28.918
15.983
1.00
28.08
A

ATOM
853
C
VAL
94
31.236
26.956
18.027
1.00
26.74
A

ATOM
854
O
VAL
94
32.388
26.607
17.726
1.00
26.11
A

ATOM
855
N
ASP
95
30.202
26.124
18.046
1.00
24.82
A

ATOM
856
H
ASP
95
29.307
26.441
18.295
0.00
0.00
A

ATOM
857
CA
ASP
95
30.350
24.724
17.703
1.00
23.46
A

ATOM
858
CB
ASP
95
30.381
23.870
18.961
1.00
24.23
A

ATOM
859
CG
ASP
95
30.768
22.432
18.675
1.00
27.86
A

ATOM
860
OD1
ASP
95
30.486
21.558
19.515
1.00
25.98
A

ATOM
861
OD2
ASP
95
31.341
22.148
17.601
1.00
27.12
A

ATOM
862
C
ASP
95
29.155
24.362
16.861
1.00
24.06
A

ATOM
863
O
ASP
95
28.022
24.665
17.236
1.00
27.82
A

ATOM
864
N
VAL
96
29.406
23.733
15.718
1.00
23.79
A

ATOM
865
H
VAL
96
30.338
23.508
15.514
0.00
0.00
A

ATOM
866
CA
VAL
96
28.352
23.352
14.784
1.00
22.02
A

ATOM
867
CB
VAL
96
28.545
24.098
13.437
1.00
23.61
A

ATOM
868
CG1
VAL
96
27.485
23.695
12.426
1.00
21.94
A

ATOM
869
CG2
VAL
96
28.503
25.603
13.665
1.00
23.55
A

ATOM
870
C
VAL
96
28.317
21.845
14.549
1.00
21.82
A

ATOM
871
O
VAL
96
29.359
21.189
14.496
1.00
23.75
A

ATOM
872
N
THR
97
27.117
21.290
14.431
1.00
21.11
A

ATOM
873
H
THR
97
26.321
21.849
14.463
0.00
0.00
A

ATOM
874
CA
THR
97
26.948
19.863
14.200
1.00
22.07
A

ATOM
875
CB
THR
97
26.293
19.179
15.407
1.00
24.54
A

ATOM
876
OG1
THR
97
27.038
19.487
16.595
1.00
29.07
A

ATOM
877
HG1
THR
97
27.764
18.857
16.515
0.00
0.00
A

ATOM
878
CG2
THR
97
26.256
17.668
15.215
1.00
20.95
A

ATOM
879
C
THR
97
26.021
19.686
13.013
1.00
24.03
A

ATOM
880
O
THR
97
24.836
20.013
13.111
1.00
24.95
A

ATOM
881
N
ILE
98
26.575
19.245
11.884
1.00
24.06
A

ATOM
882
H
ILE
98
27.529
19.057
11.868
0.00
0.00
A

ATOM
883
CA
ILE
98
25.809
18.998
10.659
1.00
25.64
A

ATOM
884
CB
ILE
98
26.687
19.161
9.419
1.00
26.46
A

ATOM
885
CG2
ILE
98
25.886
18.879
8.155
1.00
24.22
A

ATOM
886
CG1
ILE
98
27.266
20.574
9.391
1.00
27.56
A

ATOM
887
CD1
ILE
98
28.417
20.727
8.445
1.00
27.49
A

ATOM
888
C
ILE
98
25.280
17.566
10.710
1.00
26.81
A

ATOM
889
O
ILE
98
26.029
16.619
10.966
1.00
30.64
A

ATOM
890
N
ILE
99
23.990
17.404
10.485
1.00
25.35
A

ATOM
891
H
ILE
99
23.429
18.168
10.235
0.00
0.00
A

ATOM
892
CA
ILE
99
23.381
16.090
10.556
1.00
24.37
A

ATOM
893
CB
ILE
99
22.165
16.123
11.510
1.00
23.31
A

ATOM
894
CG2
ILE
99
21.538
14.762
11.632
1.00
23.17
A

ATOM
895
CG1
ILE
99
22.614
16.589
12.898
1.00
23.59
A

ATOM
896
CD1
ILE
99
21.512
17.147
13.748
1.00
19.94
A

ATOM
897
C
ILE
99
22.968
15.718
9.150
1.00
25.25
A

ATOM
898
O
ILE
99
21.964
16.213
8.637
1.00
24.57
A

ATOM
899
N
ALA
100
23.773
14.875
8.515
1.00
26.25
A

ATOM
900
H
ALA
100
24.565
14.515
8.976
0.00
0.00
A

ATOM
901
CA
ALA
100
23.509
14.447
7.152
1.00
26.65
A

ATOM
902
CB
ALA
100
24.119
15.436
6.183
1.00
25.30
A

ATOM
903
C
ALA
100
24.051
13.049
6.870
1.00
29.75
A

ATOM
904
O
ALA
100
25.130
12.674
7.339
1.00
30.24
A

ATOM
905
N
GLN
101
23.274
12.273
6.121
1.00
30.65
A

ATOM
906
H
GLN
101
22.416
12.637
5.816
0.00
0.00
A

ATOM
907
CA
GLN
101
23.661
10.922
5.731
1.00
30.21
A

ATOM
908
CB
GLN
101
22.438
10.203
5.140
1.00
31.90
A

ATOM
909
CG
GLN
101
22.545
8.685
5.058
1.00
32.46
A

ATOM
910
CD
GLN
101
22.794
8.035
6.409
1.00
34.14
A

ATOM
911
OE1
GLN
101
23.588
7.104
6.518
1.00
36.30
A

ATOM
912
NE2
GLN
101
22.118
8.524
7.445
1.00
34.90
A

ATOM
913
HE21
GLN
101
21.465
9.237
7.278
0.00
0.00
A

ATOM
914
HE22
GLN
101
22.328
8.161
8.325
0.00
0.00
A

ATOM
915
C
GLN
101
24.761
11.073
4.672
1.00
30.27
A

ATOM
916
O
GLN
101
25.759
10.335
4.650
1.00
32.28
A

ATOM
917
N
ALA
102
24.564
12.059
3.805
1.00
28.45
A

ATOM
918
H
ALA
102
23.768
12.629
3.880
0.00
0.00
A

ATOM
919
CA
ALA
102
25.491
12.383
2.732
1.00
27.28
A

ATOM
920
CB
ALA
102
25.299
11.431
1.578
1.00
24.64
A

ATOM
921
C
ALA
102
25.137
13.802
2.311
1.00
27.53
A

ATOM
922
O
ALA
102
23.997
14.233
2.488
1.00
28.45
A

ATOM
923
N
PRO
103
26.077
14.528
1.689
1.00
28.94
A

ATOM
924
CD
PRO
103
25.767
15.838
1.074
1.00
27.65
A

ATOM
925
CA
PRO
103
27.440
14.089
1.364
1.00
27.92
A

ATOM
926
CB
PRO
103
27.858
15.084
0.287
1.00
27.03
A

ATOM
927
CG
PRO
103
27.110
16.348
0.674
1.00
26.85
A

ATOM
928
C
PRO
103
28.376
14.092
2.572
1.00
29.67
A

ATOM
929
O
PRO
103
27.957
14.400
3.686
1.00
32.19
A

ATOM
930
N
LYS
104
29.619
13.674
2.372
1.00
30.26
A

ATOM
931
H
LYS
104
29.889
13.388
1.476
0.00
0.00
A

ATOM
932
CA
LYS
104
30.600
13.647
3.451
1.00
30.53
A

ATOM
933
CB
LYS
104
31.806
12.811
3.028
1.00
33.62
A

ATOM
934
CG
LYS
104
32.536
12.137
4.173
1.00
40.28
A

ATOM
935
CD
LYS
104
31.664
11.063
4.806
1.00
46.67
A

ATOM
936
CE
LYS
104
32.281
10.471
6.080
1.00
51.22
A

ATOM
937
NZ
LYS
104
31.291
9.581
6.794
1.00
54.74
A

ATOM
938
HZ1
LYS
104
31.000
8.822
6.145
0.00
0.00
A

ATOM
939
HZ2
LYS
104
30.405
10.108
6.961
0.00
0.00
A

ATOM
940
HZ3
LYS
104
31.671
9.183
7.674
0.00
0.00
A

ATOM
941
C
LYS
104
31.027
15.093
3.710
1.00
31.13
A

ATOM
942
O
LYS
104
31.450
15.796
2.795
1.00
31.65
A

ATOM
943
N
MET
105
30.928
15.539
4.954
1.00
30.78
A

ATOM
944
H
MET
105
30.560
14.950
5.633
0.00
0.00
A

ATOM
945
CA
MET
105
31.276
16.908
5.289
1.00
28.60
A

ATOM
946
CB
MET
105
30.381
17.417
6.414
1.00
27.58
A

ATOM
947
CG
MET
105
28.911
17.337
6.123
1.00
27.10
A

ATOM
948
SD
MET
105
28.465
18.378
4.738
1.00
29.30
A

ATOM
949
CE
MET
105
26.749
17.915
4.476
1.00
23.71
A

ATOM
950
C
MET
105
32.711
17.090
5.716
1.00
29.67
A

ATOM
951
O
MET
105
33.303
18.133
5.468
1.00
31.16
A

ATOM
952
N
LEU
106
33.280
16.066
6.334
1.00
31.18
A

ATOM
953
H
LEU
106
32.773
15.245
6.422
0.00
0.00
A

ATOM
954
CA
LEU
106
34.642
16.139
6.866
1.00
32.29
A

ATOM
955
CB
LEU
106
35.122
14.751
7.321
1.00
34.54
A

ATOM
956
CG
LEU
106
36.423
14.705
8.141
1.00
36.02
A

ATOM
957
CD1
LEU
106
36.341
15.605
9.371
1.00
36.26
A

ATOM
958
CD2
LEU
106
36.701
13.284
8.557
1.00
37.24
A

ATOM
959
C
LEU
106
35.725
16.840
6.041
1.00
31.14
A

ATOM
960
O
LEU
106
36.439
17.700
6.551
1.00
32.97
A

ATOM
961
N
PRO
107
35.870
16.485
4.765
1.00
29.97
A

ATOM
962
CD
PRO
107
35.222
15.406
4.003
1.00
29.86
A

ATOM
963
CA
PRO
107
36.904
17.145
3.964
1.00
30.08
A

ATOM
964
CB
PRO
107
36.880
16.344
2.663
1.00
29.81
A

ATOM
965
CG
PRO
107
35.471
15.831
2.594
1.00
28.63
A

ATOM
966
C
PRO
107
36.672
18.630
3.711
1.00
29.61
A

ATOM
967
O
PRO
107
37.590
19.361
3.330
1.00
31.63
A

ATOM
968
N
HIS
108
35.444
19.075
3.917
1.00
29.45
A

ATOM
969
H
HIS
108
34.766
18.465
4.273
0.00
0.00
A

ATOM
970
CA
HIS
108
35.085
20.468
3.685
1.00
28.69
A

ATOM
971
CB
HIS
108
33.712
20.512
3.039
1.00
28.22
A

ATOM
972
CG
HIS
108
33.606
19.661
1.820
1.00
27.30
A

ATOM
973
CD2
HIS
108
33.047
18.446
1.630
1.00
26.75
A

ATOM
974
ND1
HIS
108
34.150
20.029
0.608
1.00
28.84
A

ATOM
975
HD1
HIS
108
34.564
20.895
0.404
0.00
0.00
A

ATOM
976
CE1
HIS
108
33.930
19.073
−0.279
1.00
27.04
A

ATOM
977
NE2
HIS
108
33.262
18.102
0.318
1.00
30.85
A

ATOM
978
HE2
HIS
108
32.935
17.272
−0.106
0.00
0.00
A

ATOM
979
C
HIS
108
35.083
21.321
4.944
1.00
29.30
A

ATOM
980
O
HIS
108
35.004
22.551
4.887
1.00
30.33
A

ATOM
981
N
ILE
109
35.195
20.674
6.089
1.00
29.22
A

ATOM
982
H
ILE
109
35.302
19.699
6.100
0.00
0.00
A

ATOM
983
CA
ILE
109
35.176
21.394
7.338
1.00
28.21
A

ATOM
984
CB
ILE
109
35.036
20.402
8.496
1.00
26.19
A

ATOM
985
CG2
ILE
109
35.447
21.037
9.813
1.00
23.27
A

ATOM
986
CG1
ILE
109
33.582
19.893
8.481
1.00
25.41
A

ATOM
987
CD1
ILE
109
33.294
18.679
9.316
1.00
22.28
A

ATOM
988
C
ILE
109
36.260
22.470
7.513
1.00
29.56
A

ATOM
989
O
ILE
109
35.956
23.576
7.959
1.00
32.98
A

ATOM
990
N
PRO
110
37.523
22.190
7.132
1.00
29.83
A

ATOM
991
CD
PRO
110
38.070
20.887
6.701
1.00
30.02
A

ATOM
992
CA
PRO
110
38.598
23.191
7.266
1.00
28.97
A

ATOM
993
CB
PRO
110
39.770
22.510
6.578
1.00
28.55
A

ATOM
994
CG
PRO
110
39.553
21.063
6.913
1.00
28.58
A

ATOM
995
C
PRO
110
38.258
24.516
6.568
1.00
29.16
A

ATOM
996
O
PRO
110
38.448
25.600
7.131
1.00
28.85
A

ATOM
997
N
GLN
111
37.751
24.418
5.340
1.00
29.71
A

ATOM
998
H
GLN
111
37.631
23.530
4.946
0.00
0.00
A

ATOM
999
CA
GLN
111
37.367
25.598
4.572
1.00
29.62
A

ATOM
1000
CB
GLN
111
37.061
25.231
3.124
1.00
27.80
A

ATOM
1001
CG
GLN
111
36.829
26.425
2.215
1.00
27.44
A

ATOM
1002
CD
GLN
111
37.976
27.408
2.232
1.00
28.40
A

ATOM
1003
OE1
GLN
111
37.772
28.603
2.394
1.00
33.05
A

ATOM
1004
NE2
GLN
111
39.188
26.911
2.073
1.00
27.65
A

ATOM
1005
HE21
GLN
111
39.237
25.944
1.965
0.00
0.00
A

ATOM
1006
HE22
GLN
111
39.947
27.539
2.085
0.00
0.00
A

ATOM
1007
C
GLN
111
36.167
26.279
5.220
1.00
30.70
A

ATOM
1008
O
GLN
111
36.083
27.508
5.226
1.00
32.19
A

ATOM
1009
N
MET
112
35.235
25.488
5.753
1.00
30.56
A

ATOM
1010
H
MET
112
35.308
24.515
5.671
0.00
0.00
A

ATOM
1011
CA
MET
112
34.073
26.048
6.440
1.00
28.68
A

ATOM
1012
CB
MET
112
33.182
24.953
7.008
1.00
25.74
A

ATOM
1013
CG
MET
112
32.295
24.285
6.012
1.00
24.06
A

ATOM
1014
SD
MET
112
31.278
23.056
6.809
1.00
25.13
A

ATOM
1015
CE
MET
112
31.057
21.944
5.476
1.00
22.48
A

ATOM
1016
C
MET
112
34.600
26.879
7.601
1.00
29.74
A

ATOM
1017
O
MET
112
34.211
28.036
7.774
1.00
32.59
A

ATOM
1018
N
ARG
113
35.533
26.313
8.362
1.00
28.20
A

ATOM
1019
H
ARG
113
35.841
25.417
8.136
0.00
0.00
A

ATOM
1020
CA
ARG
113
36.097
27.016
9.508
1.00
27.51
A

ATOM
1021
CB
ARG
113
37.079
26.129
10.251
1.00
25.96
A

ATOM
1022
CG
ARG
113
36.420
24.948
10.908
1.00
26.78
A

ATOM
1023
CD
ARG
113
37.437
24.099
11.610
1.00
27.65
A

ATOM
1024
NE
ARG
113
37.888
24.712
12.850
1.00
29.67
A

ATOM
1025
HE
ARG
113
37.257
25.329
13.295
0.00
0.00
A

ATOM
1026
CZ
ARG
113
39.071
24.484
13.406
1.00
29.03
A

ATOM
1027
NH1
ARG
113
39.391
25.075
14.553
1.00
29.15
A

ATOM
1028
HH11
ARG
113
38.716
25.702
14.978
0.00
0.00
A

ATOM
1029
HH12
ARG
113
40.242
24.942
15.069
0.00
0.00
A

ATOM
1030
NH2
ARG
113
39.949
23.707
12.783
1.00
30.87
A

ATOM
1031
HH21
ARG
113
39.714
23.303
11.899
0.00
0.00
A

ATOM
1032
HH22
ARG
113
40.844
23.520
13.187
0.00
0.00
A

ATOM
1033
C
ARG
113
36.769
28.309
9.099
1.00
28.55
A

ATOM
1034
O
ARG
113
36.681
29.310
9.805
1.00
30.43
A

ATOM
1035
N
VAL
114
37.433
28.287
7.951
1.00
27.89
A

ATOM
1036
H
VAL
114
37.479
27.449
7.445
0.00
0.00
A

ATOM
1037
CA
VAL
114
38.107
29.463
7.438
1.00
25.46
A

ATOM
1038
CB
VAL
114
38.859
29.128
6.150
1.00
25.17
A

ATOM
1039
CG1
VAL
114
39.298
30.393
5.455
1.00
21.86
A

ATOM
1040
CG2
VAL
114
40.049
28.238
6.465
1.00
21.55
A

ATOM
1041
C
VAL
114
37.100
30.568
7.161
1.00
27.81
A

ATOM
1042
O
VAL
114
37.268
31.708
7.611
1.00
29.66
A

ATOM
1043
N
PHE
115
36.037
30.215
6.447
1.00
27.62
A

ATOM
1044
H
PHE
115
35.952
29.285
6.140
0.00
0.00
A

ATOM
1045
CA
PHE
115
34.991
31.165
6.105
1.00
27.99
A

ATOM
1046
CB
PHE
115
33.941
30.490
5.233
1.00
26.10
A

ATOM
1047
CG
PHE
115
34.356
30.306
3.804
1.00
26.22
A

ATOM
1048
CD1
PHE
115
33.760
29.322
3.019
1.00
26.25
A

ATOM
1049
CD2
PHE
115
35.279
31.160
3.213
1.00
25.63
A

ATOM
1050
CE1
PHE
115
34.069
29.198
1.664
1.00
25.44
A

ATOM
1051
CE2
PHE
115
35.590
31.040
1.860
1.00
27.36
A

ATOM
1052
CZ
PHE
115
34.980
30.056
1.086
1.00
25.73
A

ATOM
1053
C
PHE
115
34.322
31.752
7.341
1.00
29.79
A

ATOM
1054
O
PHE
115
34.224
32.969
7.477
1.00
32.99
A

ATOM
1055
N
ILE
116
33.877
30.883
8.245
1.00
30.43
A

ATOM
1056
H
ILE
116
34.001
29.927
8.068
0.00
0.00
A

ATOM
1057
CA
ILE
116
33.202
31.304
9.473
1.00
29.53
A

ATOM
1058
CB
ILE
116
32.685
30.075
10.290
1.00
29.75
A

ATOM
1059
CG2
ILE
116
32.059
30.529
11.616
1.00
29.66
A

ATOM
1060
CG1
ILE
116
31.650
29.298
9.466
1.00
28.02
A

ATOM
1061
CD1
ILE
116
31.248
27.954
10.040
1.00
25.69
A

ATOM
1062
C
ILE
116
34.094
32.176
10.347
1.00
29.27
A

ATOM
1063
O
ILE
116
33.653
33.209
10.844
1.00
30.15
A

ATOM
1064
N
ALA
117
35.347
31.771
10.525
1.00
29.28
A

ATOM
1065
H
ALA
117
35.659
30.943
10.106
0.00
0.00
A

ATOM
1066
CA
ALA
117
36.288
32.535
11.341
1.00
29.60
A

ATOM
1067
CB
ALA
117
37.629
31.817
11.424
1.00
28.13
A

ATOM
1068
C
ALA
117
36.455
33.927
10.741
1.00
31.57
A

ATOM
1069
O
ALA
117
36.570
34.915
11.459
1.00
33.05
A

ATOM
1070
N
GLU
118
36.453
34.008
9.417
1.00
33.56
A

ATOM
1071
H
GLU
118
36.403
33.194
8.871
0.00
0.00
A

ATOM
1072
CA
GLU
118
36.565
35.293
8.747
1.00
34.27
A

ATOM
1073
CB
GLU
118
36.718
35.116
7.253
1.00
37.70
A

ATOM
1074
CG
GLU
118
38.110
34.785
6.808
1.00
46.36
A

ATOM
1075
CD
GLU
118
38.209
34.740
5.298
1.00
53.12
A

ATOM
1076
OE1
GLU
118
39.250
34.244
4.806
1.00
55.78
A

ATOM
1077
OE2
GLU
118
37.246
35.193
4.607
1.00
53.25
A

ATOM
1078
C
GLU
118
35.321
36.113
8.987
1.00
33.52
A

ATOM
1079
O
GLU
118
35.406
37.259
9.407
1.00
33.80
A

ATOM
1080
N
ASP
119
34.163
35.524
8.710
1.00
33.13
A

ATOM
1081
H
ASP
119
34.142
34.613
8.361
0.00
0.00
A

ATOM
1082
CA
ASP
119
32.896
36.215
8.890
1.00
32.45
A

ATOM
1083
CB
ASP
119
31.731
35.325
8.467
1.00
31.59
A

ATOM
1084
CG
ASP
119
31.714
35.049
6.979
1.00
33.03
A

ATOM
1085
OD1
ASP
119
30.989
34.126
6.568
1.00
34.45
A

ATOM
1086
OD2
ASP
119
32.411
35.743
6.206
1.00
33.73
A

ATOM
1087
C
ASP
119
32.683
36.723
10.311
1.00
32.57
A

ATOM
1088
O
ASP
119
32.143
37.812
10.498
1.00
34.32
A

ATOM
1089
N
LEU
120
33.130
35.954
11.304
1.00
31.94
A

ATOM
1090
H
LEU
120
33.554
35.103
11.072
0.00
0.00
A

ATOM
1091
CA
LEU
120
32.969
36.330
12.710
1.00
31.05
A

ATOM
1092
CB
LEU
120
32.753
35.090
13.584
1.00
26.23
A

ATOM
1093
CG
LEU
120
31.541
34.234
13.214
1.00
24.54
A

ATOM
1094
CD1
LEU
120
31.402
33.091
14.197
1.00
22.21
A

ATOM
1095
CD2
LEU
120
30.291
35.094
13.205
1.00
19.98
A

ATOM
1096
C
LEU
120
34.154
37.123
13.233
1.00
32.71
A

ATOM
1097
O
LEU
120
34.180
37.537
14.399
1.00
34.84
A

ATOM
1098
N
GLY
121
35.151
37.302
12.378
1.00
33.55
A

ATOM
1099
H
GLY
121
35.107
36.918
11.478
0.00
0.00
A

ATOM
1100
CA
GLY
121
36.336
38.048
12.754
1.00
34.58
A

ATOM
1101
C
GLY
121
37.126
37.430
13.886
1.00
35.65
A

ATOM
1102
O
GLY
121
37.713
38.153
14.692
1.00
39.09
A

ATOM
1103
N
CYS
122
37.199
36.104
13.925
1.00
36.09
A

ATOM
1104
H
CYS
122
36.809
35.560
13.215
0.00
0.00
A

ATOM
1105
CA
CYS
122
37.919
35.429
14.999
1.00
36.68
A

ATOM
1106
CB
CYS
122
36.927
34.664
15.882
1.00
34.82
A

ATOM
1107
SG
CYS
122
36.048
33.314
15.043
1.00
31.16
A

ATOM
1108
C
CYS
122
38.999
34.472
14.512
1.00
38.35
A

ATOM
1109
O
CYS
122
39.282
34.377
13.316
1.00
37.98
A

ATOM
1110
N
HIS
123
39.631
33.799
15.466
1.00
41.36
A

ATOM
1111
H
HIS
123
39.352
33.910
16.402
0.00
0.00
A

ATOM
1112
CA
HIS
123
40.647
32.816
15.158
1.00
45.48
A

ATOM
1113
CB
HIS
123
41.457
32.466
16.396
1.00
54.49
A

ATOM
1114
CG
HIS
123
42.176
33.622
17.000
1.00
67.14
A

ATOM
1115
CD2
HIS
123
41.838
34.452
18.017
1.00
71.87
A

ATOM
1116
ND1
HIS
123
43.424
34.027
16.572
1.00
72.28
A

ATOM
1117
HD1
HIS
123
43.941
33.587
15.858
0.00
0.00
A

ATOM
1118
CE1
HIS
123
43.823
35.057
17.299
1.00
74.82
A

ATOM
1119
NE2
HIS
123
42.879
35.333
18.182
1.00
76.41
A

ATOM
1120
HE2
HIS
123
42.909
36.046
18.858
0.00
0.00
A

ATOM
1121
C
HIS
123
39.887
31.567
14.772
1.00
44.42
A

ATOM
1122
O
HIS
123
38.792
31.315
15.270
1.00
44.12
A

ATOM
1123
N
MET
124
40.496
30.747
13.936
1.00
43.48
A

ATOM
1124
H
MET
124
41.379
30.983
13.577
0.00
0.00
A

ATOM
1125
CA
MET
124
39.864
29.514
13.526
1.00
42.01
A

ATOM
1126
CB
MET
124
40.741
28.785
12.514
1.00
42.54
A

ATOM
1127
CG
MET
124
40.093
28.589
11.174
1.00
45.00
A

ATOM
1128
SD
MET
124
41.168
27.667
10.083
1.00
51.02
A

ATOM
1129
CE
MET
124
40.616
25.978
10.354
1.00
49.02
A

ATOM
1130
C
MET
124
39.655
28.628
14.746
1.00
41.21
A

ATOM
1131
O
MET
124
38.763
27.788
14.748
1.00
42.45
A

ATOM
1132
N
ASP
125
40.461
28.814
15.788
1.00
39.83
A

ATOM
1133
H
ASP
125
41.159
29.498
15.781
0.00
0.00
A

ATOM
1134
CA
ASP
125
40.326
27.980
16.977
1.00
40.59
A

ATOM
1135
CB
ASP
125
41.552
28.079
17.891
1.00
47.04
A

ATOM
1136
CG
ASP
125
41.657
26.887
18.852
1.00
53.30
A

ATOM
1137
OD1
ASP
125
41.882
25.748
18.373
1.00
58.69
A

ATOM
1138
OD2
ASP
125
41.495
27.062
20.083
1.00
55.37
A

ATOM
1139
C
ASP
125
39.065
28.275
17.768
1.00
37.95
A

ATOM
1140
O
ASP
125
38.680
27.511
18.651
1.00
36.98
A

ATOM
1141
N
ASP
126
38.407
29.375
17.444
1.00
35.17
A

ATOM
1142
H
ASP
126
38.731
29.987
16.755
0.00
0.00
A

ATOM
1143
CA
ASP
126
37.188
29.724
18.139
1.00
34.06
A

ATOM
1144
CB
ASP
126
37.083
31.246
18.292
1.00
35.68
A

ATOM
1145
CG
ASP
126
38.160
31.816
19.212
1.00
40.48
A

ATOM
1146
OD1
ASP
126
38.586
32.973
19.002
1.00
47.60
A

ATOM
1147
OD2
ASP
126
38.612
31.104
20.140
1.00
44.86
A

ATOM
1148
C
ASP
126
35.991
29.152
17.393
1.00
32.58
A

ATOM
1149
O
ASP
126
34.847
29.337
17.801
1.00
34.85
A

ATOM
1150
N
VAL
127
36.260
28.386
16.343
1.00
28.49
A

ATOM
1151
H
VAL
127
37.182
28.195
16.084
0.00
0.00
A

ATOM
1152
CA
VAL
127
35.205
27.803
15.536
1.00
25.44
A

ATOM
1153
CB
VAL
127
35.190
28.449
14.158
1.00
24.68
A

ATOM
1154
CG1
VAL
127
34.166
27.785
13.276
1.00
25.60
A

ATOM
1155
CG2
VAL
127
34.910
29.924
14.283
1.00
22.79
A

ATOM
1156
C
VAL
127
35.394
26.308
15.345
1.00
26.08
A

ATOM
1157
O
VAL
127
36.477
25.852
14.989
1.00
25.20
A

ATOM
1158
N
ASN
128
34.335
25.540
15.564
1.00
27.39
A

ATOM
1159
H
ASN
128
33.487
25.925
15.881
0.00
0.00
A

ATOM
1160
CA
ASN
128
34.399
24.092
15.379
1.00
27.13
A

ATOM
1161
CB
ASN
128
34.446
23.357
16.727
1.00
28.57
A

ATOM
1162
CG
ASN
128
34.813
21.876
16.582
1.00
30.70
A

ATOM
1163
OD1
ASN
128
35.965
21.528
16.298
1.00
29.65
A

ATOM
1164
ND2
ASN
128
33.841
21.001
16.794
1.00
31.36
A

ATOM
1165
HD21
ASN
128
32.973
21.369
17.042
0.00
0.00
A

ATOM
1166
HD22
ASN
128
34.036
20.043
16.701
0.00
0.00
A

ATOM
1167
C
ASN
128
33.168
23.658
14.597
1.00
26.11
A

ATOM
1168
O
ASN
128
32.093
24.231
14.764
1.00
26.52
A

ATOM
1169
N
VAL
129
33.353
22.726
13.668
1.00
24.69
A

ATOM
1170
H
VAL
129
34.239
22.333
13.517
0.00
0.00
A

ATOM
1171
CA
VAL
129
32.245
22.195
12.881
1.00
23.70
A

ATOM
1172
CB
VAL
129
32.248
22.696
11.412
1.00
21.95
A

ATOM
1173
CG1
VAL
129
31.081
22.096
10.674
1.00
18.56
A

ATOM
1174
CG2
VAL
129
32.177
24.213
11.343
1.00
18.78
A

ATOM
1175
C
VAL
129
32.425
20.677
12.876
1.00
25.23
A

ATOM
1176
O
VAL
129
33.558
20.180
12.829
1.00
24.42
A

ATOM
1177
N
LYS
130
31.332
19.935
12.980
1.00
24.56
A

ATOM
1178
H
LYS
130
30.443
20.346
13.039
0.00
0.00
A

ATOM
1179
CA
LYS
130
31.435
18.484
12.953
1.00
25.99
A

ATOM
1180
CB
LYS
130
31.514
17.909
14.366
1.00
28.08
A

ATOM
1181
CG
LYS
130
30.219
17.922
15.142
1.00
31.65
A

ATOM
1182
CD
LYS
130
30.450
17.465
16.574
1.00
31.66
A

ATOM
1183
CE
LYS
130
31.046
18.568
17.409
1.00
29.76
A

ATOM
1184
NZ
LYS
130
30.045
19.659
17.570
1.00
27.46
A

ATOM
1185
HZ1
LYS
130
30.516
20.384
18.157
0.00
0.00
A

ATOM
1186
HZ2
LYS
130
29.234
19.351
18.126
0.00
0.00
A

ATOM
1187
HZ3
LYS
130
29.784
20.150
16.699
0.00
0.00
A

ATOM
1188
C
LYS
130
30.229
17.952
12.216
1.00
26.66
A

ATOM
1189
O
LYS
130
29.338
18.725
11.859
1.00
28.90
A

ATOM
1190
N
ALA
131
30.206
16.651
11.955
1.00
26.92
A

ATOM
1191
H
ALA
131
30.952
16.068
12.246
0.00
0.00
A

ATOM
1192
CA
ALA
131
29.085
16.049
11.251
1.00
23.86
A

ATOM
1193
CB
ALA
131
29.385
15.967
9.765
1.00
22.73
A

ATOM
1194
C
ALA
131
28.783
14.670
11.807
1.00
24.68
A

ATOM
1195
O
ALA
131
29.600
14.085
12.519
1.00
23.54
A

ATOM
1196
N
THR
132
27.568
14.201
11.552
1.00
25.97
A

ATOM
1197
H
THR
132
26.919
14.763
11.067
0.00
0.00
A

ATOM
1198
CA
THR
132
27.124
12.877
11.967
1.00
26.10
A

ATOM
1199
CB
THR
132
26.697
12.828
13.452
1.00
27.03
A

ATOM
1200
OG1
THR
132
26.503
11.461
13.837
1.00
29.47
A

ATOM
1201
HG1
THR
132
25.649
11.058
13.613
0.00
0.00
A

ATOM
1202
CG2
THR
132
25.387
13.593
13.684
1.00
24.88
A

ATOM
1203
C
THR
132
25.933
12.512
11.094
1.00
28.23
A

ATOM
1204
O
THR
132
25.275
13.390
10.531
1.00
30.55
A

ATOM
1205
N
THR
133
25.705
11.217
10.916
1.00
29.76
A

ATOM
1206
H
THR
133
26.260
10.579
11.401
0.00
0.00
A

ATOM
1207
CA
THR
133
24.570
10.739
10.135
1.00
29.38
A

ATOM
1208
CB
THR
133
24.924
9.517
9.240
1.00
28.88
A

ATOM
1209
OG1
THR
133
25.172
8.375
10.064
1.00
29.30
A

ATOM
1210
HG1
THR
133
25.836
8.472
10.766
0.00
0.00
A

ATOM
1211
CG2
THR
133
26.143
9.772
8.381
1.00
27.35
A

ATOM
1212
C
THR
133
23.609
10.226
11.199
1.00
31.22
A

ATOM
1213
O
THR
133
23.991
10.081
12.369
1.00
29.70
A

ATOM
1214
N
THR
134
22.364
9.982
10.813
1.00
32.68
A

ATOM
1215
H
THR
134
22.032
10.207
9.922
0.00
0.00
A

ATOM
1216
CA
THR
134
21.395
9.431
11.747
1.00
32.99
A

ATOM
1217
CB
THR
134
20.061
10.172
11.671
1.00
31.58
A

ATOM
1218
OG1
THR
134
19.680
10.319
10.300
1.00
33.34
A

ATOM
1219
HG1
THR
134
18.723
10.489
10.297
0.00
0.00
A

ATOM
1220
CG2
THR
134
20.191
11.545
12.304
1.00
30.28
A

ATOM
1221
C
THR
134
21.214
7.932
11.437
1.00
34.41
A

ATOM
1222
O
THR
134
20.147
7.360
11.675
1.00
36.43
A

ATOM
1223
N
GLU
135
22.267
7.317
10.887
1.00
33.19
A

ATOM
1224
H
GLU
135
23.108
7.802
10.763
0.00
0.00
A

ATOM
1225
CA
GLU
135
22.285
5.894
10.539
1.00
33.15
A

ATOM
1226
CB
GLU
135
22.377
5.049
11.814
1.00
34.19
A

ATOM
1227
CG
GLU
135
23.484
5.467
12.785
1.00
38.74
A

ATOM
1228
CD
GLU
135
24.875
5.037
12.356
1.00
42.35
A

ATOM
1229
OE1
GLU
135
25.860
5.454
13.003
1.00
45.39
A

ATOM
1230
OE2
GLU
135
25.003
4.262
11.393
1.00
45.66
A

ATOM
1231
C
GLU
135
21.089
5.432
9.691
1.00
32.18
A

ATOM
1232
O
GLU
135
20.420
4.454
10.019
1.00
31.74
A

ATOM
1233
N
LYS
136
20.832
6.133
8.594
1.00
31.68
A

ATOM
1234
H
LYS
136
21.418
6.868
8.369
0.00
0.00
A

ATOM
1235
CA
LYS
136
19.723
5.813
7.697
1.00
31.84
A

ATOM
1236
CB
LYS
136
19.848
4.390
7.166
1.00
33.28
A

ATOM
1237
CG
LYS
136
21.023
4.159
6.241
1.00
36.29
A

ATOM
1238
CD
LYS
136
20.787
4.772
4.882
1.00
41.84
A

ATOM
1239
CE
LYS
136
21.892
4.351
3.914
1.00
49.17
A

ATOM
1240
NZ
LYS
136
21.769
4.980
2.555
1.00
52.87
A

ATOM
1241
HZ1
LYS
136
22.554
4.666
1.952
0.00
0.00
A

ATOM
1242
HZ2
LYS
136
21.853
6.011
2.678
0.00
0.00
A

ATOM
1243
HZ3
LYS
136
20.854
4.750
2.124
0.00
0.00
A

ATOM
1244
C
LYS
136
18.341
6.012
8.306
1.00
31.20
A

ATOM
1245
O
LYS
136
17.333
5.819
7.636
1.00
32.88
A

ATOM
1246
N
LEU
137
18.285
6.398
9.572
1.00
30.53
A

ATOM
1247
H
LEU
137
19.079
6.564
10.112
0.00
0.00
A

ATOM
1248
CA
LEU
137
17.009
6.629
10.228
1.00
29.13
A

ATOM
1249
CB
LEU
137
17.133
6.366
11.737
1.00
28.47
A

ATOM
1250
CG
LEU
137
17.540
4.959
12.179
1.00
25.54
A

ATOM
1251
CD1
LEU
137
17.474
4.821
13.672
1.00
24.54
A

ATOM
1252
CD2
LEU
137
16.594
3.984
11.558
1.00
27.70
A

ATOM
1253
C
LEU
137
16.566
8.073
9.991
1.00
29.76
A

ATOM
1254
O
LEU
137
17.403
8.974
9.870
1.00
32.16
A

ATOM
1255
N
GLY
138
15.260
8.285
9.858
1.00
28.38
A

ATOM
1256
H
GLY
138
14.676
7.503
9.868
0.00
0.00
A

ATOM
1257
CA
GLY
138
14.732
9.630
9.680
1.00
28.53
A

ATOM
1258
C
GLY
138
14.825
10.309
8.324
1.00
29.85
A

ATOM
1259
O
GLY
138
15.353
9.735
7.368
1.00
31.86
A

ATOM
1260
N
PHE
139
14.310
11.542
8.244
1.00
28.29
A

ATOM
1261
H
PHE
139
13.940
11.963
9.044
0.00
0.00
A

ATOM
1262
CA
PHE
139
14.325
12.298
6.999
1.00
27.69
A

ATOM
1263
CB
PHE
139
13.487
13.581
7.091
1.00
25.35
A

ATOM
1264
CG
PHE
139
14.103
14.690
7.911
1.00
27.13
A

ATOM
1265
CD1
PHE
139
14.999
15.588
7.338
1.00
28.41
A

ATOM
1266
CD2
PHE
139
13.722
14.896
9.234
1.00
25.58
A

ATOM
1267
CE1
PHE
139
15.501
16.671
8.068
1.00
26.59
A

ATOM
1268
CE2
PHE
139
14.220
15.984
9.972
1.00
22.77
A

ATOM
1269
CZ
PHE
139
15.109
16.867
9.383
1.00
24.67
A

ATOM
1270
C
PHE
139
15.744
12.570
6.538
1.00
27.84
A

ATOM
1271
O
PHE
139
15.989
12.739
5.351
1.00
30.40
A

ATOM
1272
N
THR
140
16.674
12.608
7.483
1.00
27.65
A

ATOM
1273
H
THR
140
16.457
12.516
8.431
0.00
0.00
A

ATOM
1274
CA
THR
140
18.087
12.811
7.171
1.00
29.27
A

ATOM
1275
CB
THR
140
18.879
13.272
8.423
1.00
26.16
A

ATOM
1276
OG1
THR
140
18.343
12.611
9.580
1.00
32.68
A

ATOM
1277
HG1
THR
140
18.814
12.953
10.351
0.00
0.00
A

ATOM
1278
CG2
THR
140
18.772
14.777
8.613
1.00
21.89
A

ATOM
1279
C
THR
140
18.644
11.461
6.684
1.00
30.26
A

ATOM
1280
O
THR
140
19.348
11.398
5.673
1.00
32.42
A

ATOM
1281
N
GLY
141
18.307
10.389
7.404
1.00
30.28
A

ATOM
1282
H
GLY
141
17.752
10.488
8.205
0.00
0.00
A

ATOM
1283
CA
GLY
141
18.765
9.057
7.058
1.00
27.95
A

ATOM
1284
C
GLY
141
18.222
8.592
5.724
1.00
29.44
A

ATOM
1285
O
GLY
141
18.869
7.804
5.026
1.00
29.86
A

ATOM
1286
N
ARG
142
17.034
9.074
5.370
1.00
28.14
A

ATOM
1287
H
ARG
142
16.568
9.669
5.982
0.00
0.00
A

ATOM
1288
CA
ARG
142
16.418
8.720
4.103
1.00
27.36
A

ATOM
1289
CB
ARG
142
14.905
8.726
4.215
1.00
24.98
A

ATOM
1290
CG
ARG
142
14.387
7.641
5.131
1.00
27.95
A

ATOM
1291
CD
ARG
142
12.895
7.476
4.969
1.00
29.21
A

ATOM
1292
NE
ARG
142
12.250
8.757
5.160
1.00
29.78
A

ATOM
1293
HE
ARG
142
12.132
9.251
4.334
0.00
0.00
A

ATOM
1294
CZ
ARG
142
11.844
9.212
6.338
1.00
31.15
A

ATOM
1295
NH1
ARG
142
11.287
10.412
6.420
1.00
30.24
A

ATOM
1296
HH11
ARG
142
11.214
10.952
5.556
0.00
0.00
A

ATOM
1297
HH12
ARG
142
10.948
10.850
7.237
0.00
0.00
A

ATOM
1298
NH2
ARG
142
11.968
8.448
7.420
1.00
30.66
A

ATOM
1299
HH21
ARG
142
12.364
7.522
7.323
0.00
0.00
A

ATOM
1300
HH22
ARG
142
11.668
8.718
8.324
0.00
0.00
A

ATOM
1301
C
ARG
142
16.875
9.656
2.994
1.00
29.02
A

ATOM
1302
O
ARG
142
16.433
9.552
1.854
1.00
32.70
A

ATOM
1303
N
GLY
143
17.763
10.578
3.330
1.00
28.13
A

ATOM
1304
H
GLY
143
18.087
10.657
4.250
0.00
0.00
A

ATOM
1305
CA
GLY
143
18.276
11.490
2.339
1.00
24.87
A

ATOM
1306
C
GLY
143
17.283
12.521
1.868
1.00
26.21
A

ATOM
1307
O
GLY
143
17.435
13.040
0.767
1.00
29.77
A

ATOM
1308
N
GLU
144
16.294
12.844
2.691
1.00
25.32
A

ATOM
1309
H
GLU
144
16.219
12.395
3.551
0.00
0.00
A

ATOM
1310
CA
GLU
144
15.295
13.839
2.326
1.00
23.67
A

ATOM
1311
CB
GLU
144
14.001
13.573
3.069
1.00
23.43
A

ATOM
1312
CG
GLU
144
13.402
12.234
2.709
1.00
26.15
A

ATOM
1313
CD
GLU
144
12.232
11.840
3.581
1.00
30.70
A

ATOM
1314
OE1
GLU
144
11.706
10.728
3.372
1.00
31.13
A

ATOM
1315
OE2
GLU
144
11.824
12.623
4.473
1.00
32.72
A

ATOM
1316
C
GLU
144
15.764
15.257
2.592
1.00
24.68
A

ATOM
1317
O
GLU
144
15.230
16.208
2.027
1.00
26.50
A

ATOM
1318
N
GLY
145
16.768
15.413
3.441
1.00
23.89
A

ATOM
1319
H
GLY
145
17.192
14.650
3.890
0.00
0.00
A

ATOM
1320
CA
GLY
145
17.254
16.745
3.730
1.00
24.63
A

ATOM
1321
C
GLY
145
18.433
16.725
4.673
1.00
26.68
A

ATOM
1322
O
GLY
145
18.916
15.654
5.042
1.00
29.22
A

ATOM
1323
N
ILE
146
18.912
17.908
5.043
1.00
26.69
A

ATOM
1324
H
ILE
146
18.474
18.726
4.720
0.00
0.00
A

ATOM
1325
CA
ILE
146
20.043
18.043
5.955
1.00
26.50
A

ATOM
1326
CB
ILE
146
21.264
18.733
5.275
1.00
25.26
A

ATOM
1327
CG2
ILE
146
22.370
18.969
6.276
1.00
27.32
A

ATOM
1328
CG1
ILE
146
21.823
17.858
4.159
1.00
25.91
A

ATOM
1329
CD1
ILE
146
23.050
18.446
3.487
1.00
26.47
A

ATOM
1330
C
ILE
146
19.573
18.903
7.118
1.00
26.22
A

ATOM
1331
O
ILE
146
18.806
19.846
6.933
1.00
27.98
A

ATOM
1332
N
ALA
147
19.992
18.549
8.320
1.00
25.37
A

ATOM
1333
H
ALA
147
20.605
17.786
8.415
0.00
0.00
A

ATOM
1334
CA
ALA
147
19.625
19.301
9.502
1.00
23.69
A

ATOM
1335
CB
ALA
147
18.970
18.386
10.505
1.00
21.96
A

ATOM
1336
C
ALA
147
20.939
19.810
10.047
1.00
24.10
A

ATOM
1337
O
ALA
147
22.002
19.381
9.597
1.00
26.14
A

ATOM
1338
N
CYS
148
20.889
20.744
10.979
1.00
24.29
A

ATOM
1339
H
CYS
148
20.033
21.136
11.260
0.00
0.00
A

ATOM
1340
CA
CYS
148
22.116
21.242
11.582
1.00
25.66
A

ATOM
1341
CB
CYS
148
22.841
22.206
10.647
1.00
26.89
A

ATOM
1342
SG
CYS
148
24.468
22.718
11.245
1.00
34.06
A

ATOM
1343
C
CYS
148
21.807
21.918
12.902
1.00
25.93
A

ATOM
1344
O
CYS
148
20.756
22.557
13.051
1.00
26.97
A

ATOM
1345
N
GLU
149
22.676
21.700
13.879
1.00
25.06
A

ATOM
1346
H
GLU
149
23.461
21.141
13.726
0.00
0.00
A

ATOM
1347
CA
GLU
149
22.524
22.303
15.194
1.00
26.90
A

ATOM
1348
CB
GLU
149
22.396
21.246
16.265
1.00
28.23
A

ATOM
1349
CG
GLU
149
21.152
20.456
16.177
1.00
33.91
A

ATOM
1350
CD
GLU
149
20.684
20.056
17.530
1.00
35.88
A

ATOM
1351
OE1
GLU
149
20.459
20.958
18.356
1.00
36.03
A

ATOM
1352
OE2
GLU
149
20.591
18.846
17.774
1.00
42.55
A

ATOM
1353
C
GLU
149
23.765
23.093
15.495
1.00
27.06
A

ATOM
1354
O
GLU
149
24.850
22.752
15.010
1.00
27.63
A

ATOM
1355
N
ALA
150
23.631
24.104
16.343
1.00
25.61
A

ATOM
1356
H
ALA
150
22.751
24.305
16.727
0.00
0.00
A

ATOM
1357
CA
ALA
150
24.779
24.919
16.700
1.00
26.08
A

ATOM
1358
CB
ALA
150
25.025
25.985
15.629
1.00
24.95
A

ATOM
1359
C
ALA
150
24.593
25.582
18.044
1.00
26.80
A

ATOM
1360
O
ALA
150
23.459
25.830
18.471
1.00
26.68
A

ATOM
1361
N
VAL
151
25.708
25.812
18.732
1.00
25.85
A

ATOM
1362
H
VAL
151
26.579
25.542
18.361
0.00
0.00
A

ATOM
1363
CA
VAL
151
25.688
26.506
20.012
1.00
25.22
A

ATOM
1364
CB
VAL
151
26.000
25.601
21.213
1.00
22.61
A

ATOM
1365
CG1
VAL
151
24.877
24.589
21.423
1.00
20.48
A

ATOM
1366
CG2
VAL
151
27.344
24.947
21.047
1.00
18.45
A

ATOM
1367
C
VAL
151
26.748
27.583
19.915
1.00
26.00
A

ATOM
1368
O
VAL
151
27.706
27.436
19.157
1.00
27.32
A

ATOM
1369
N
ALA
152
26.556
28.671
20.652
1.00
26.18
A

ATOM
1370
H
ALA
152
25.776
28.719
21.246
0.00
0.00
A

ATOM
1371
CA
ALA
152
27.488
29.787
20.651
1.00
26.94
A

ATOM
1372
CB
ALA
152
26.992
30.885
19.733
1.00
26.41
A

ATOM
1373
C
ALA
152
27.642
30.333
22.055
1.00
28.03
A

ATOM
1374
O
ALA
152
26.744
30.191
22.883
1.00
28.91
A

ATOM
1375
N
LEU
153
28.795
30.935
22.322
1.00
29.73
A

ATOM
1376
H
LEU
153
29.482
30.982
21.624
0.00
0.00
A

ATOM
1377
CA
LEU
153
29.076
31.533
23.616
1.00
30.65
A

ATOM
1378
CB
LEU
153
30.117
30.713
24.365
1.00
31.84
A

ATOM
1379
CG
LEU
153
30.312
31.036
25.842
1.00
36.39
A

ATOM
1380
CD1
LEU
153
30.512
29.749
26.611
1.00
38.53
A

ATOM
1381
CD2
LEU
153
31.507
31.966
26.042
1.00
40.18
A

ATOM
1382
C
LEU
153
29.609
32.924
23.325
1.00
32.49
A

ATOM
1383
O
LEU
153
30.600
33.066
22.604
1.00
32.27
A

ATOM
1384
N
LEU
154
28.882
33.940
23.788
1.00
33.11
A

ATOM
1385
H
LEU
154
28.071
33.740
24.285
0.00
0.00
A

ATOM
1386
CA
LEU
154
29.259
35.338
23.607
1.00
31.83
A

ATOM
1387
CB
LEU
154
28.066
36.178
23.171
1.00
28.45
A

ATOM
1388
CG
LEU
154
27.485
35.857
21.805
1.00
27.49
A

ATOM
1389
CD1
LEU
154
26.307
36.757
21.557
1.00
25.20
A

ATOM
1390
CD2
LEU
154
28.544
36.035
20.736
1.00
27.94
A

ATOM
1391
C
LEU
154
29.793
35.885
24.911
1.00
33.13
A

ATOM
1392
O
LEU
154
29.465
35.390
25.989
1.00
32.32
A

ATOM
1393
N
ILE
155
30.592
36.936
24.810
1.00
36.54
A

ATOM
1394
H
ILE
155
30.784
37.313
23.926
0.00
0.00
A

ATOM
1395
CA
ILE
155
31.197
37.562
25.974
1.00
39.20
A

ATOM
1396
CB
ILE
155
32.707
37.480
25.871
1.00
40.33
A

ATOM
1397
CG2
ILE
155
33.340
38.180
27.033
1.00
44.44
A

ATOM
1398
CG1
ILE
155
33.143
36.022
25.855
1.00
40.56
A

ATOM
1399
CD1
ILE
155
34.585
35.857
25.514
1.00
42.78
A

ATOM
1400
C
ILE
155
30.787
39.025
26.079
1.00
40.12
A

ATOM
1401
O
ILE
155
30.519
39.674
25.061
1.00
43.10
A

ATOM
1402
N1
CMP
669
8.686
30.549
12.364
1.00
38.40
A

ATOM
1403
C2
CMP
669
7.627
30.697
13.280
1.00
35.68
A

ATOM
1404
N3
CMP
669
6.891
29.641
13.732
1.00
33.85
A

ATOM
1405
C4
CMP
669
7.163
28.402
13.299
1.00
31.30
A

ATOM
1406
C5
CMP
669
8.196
28.191
12.400
1.00
31.13
A

ATOM
1407
C6
CMP
669
8.922
29.286
11.968
1.00
34.57
A

ATOM
1408
O2
CMP
669
7.284
31.799
13.740
1.00
36.82
A

ATOM
1409
N4
CMP
669
6.423
27.394
13.748
1.00
29.67
A

ATOM
1410
C1*
CMP
669
9.234
31.805
12.050
1.00
42.58
A

ATOM
1411
C2*
CMP
669
10.380
31.568
12.970
1.00
47.77
A

ATOM
1412
O2*
CMP
669
10.165
32.303
14.186
1.00
51.39
A

ATOM
1413
C3*
CMP
669
11.581
32.008
12.165
1.00
46.95
A

ATOM
1414
C4*
CMP
669
11.109
32.098
10.704
1.00
46.43
A

ATOM
1415
O4*
CMP
669
9.730
31.773
10.761
1.00
44.13
A

ATOM
1416
O3*
CMP
669
11.914
33.315
12.497
1.00
47.32
A

ATOM
1417
C5*
CMP
669
11.944
31.083
10.034
1.00
45.34
A

ATOM
1418
O5*
CMP
669
11.092
30.258
9.238
1.00
50.10
A

ATOM
1419
PA
CMP
669
11.617
28.833
8.560
1.00
50.19
A

ATOM
1420
O1A
CMP
669
10.986
27.655
9.312
1.00
52.54
A

ATOM
1421
O2A
CMP
669
11.145
28.834
7.095
1.00
52.90
A

ATOM
1422
O3A
CMP
669
13.284
28.723
8.646
1.00
55.89
A

ATOM
1423
ZN
ZN
300
17.558
27.745
6.895
1.00
36.09
A

ATOM
1424
C4
CDI
421
16.179
34.225
4.344
1.00
47.78
A

ATOM
1425
C3
CDI
421
16.103
33.048
5.368
1.00
48.15
A

ATOM
1426
OB4
CDI
421
15.382
31.950
4.735
1.00
48.37
A

ATOM
1427
PB
CDI
421
15.625
30.460
4.134
1.00
50.49
A

ATOM
1428
OB2
CDI
421
14.275
29.852
3.563
1.00
48.89
A

ATOM
1429
OB3
CDI
421
16.756
30.457
2.987
1.00
45.72
A

ATOM
1430
PA
CDI
421
14.965
29.544
6.563
1.00
41.22
A

ATOM
1431
OA3
CDI
421
14.553
30.965
7.209
1.00
46.68
A

ATOM
1432
OA1
CDI
421
13.700
28.652
6.256
1.00
42.46
A

ATOM
1433
OA2
CDI
421
15.975
28.721
7.472
1.00
36.91
A

ATOM
1434
C1
CDI
421
15.145
32.203
7.707
1.00
47.75
A

ATOM
1435
C2
CDI
421
15.276
33.377
6.663
1.00
47.14
A

ATOM
1436
O1
CDI
421
15.876
34.454
7.389
1.00
50.89
A

ATOM
1437
C5
CDI
421
17.558
32.653
5.753
1.00
46.72
A

ATOM
1438
O2
CDI
421
14.865
34.645
3.953
1.00
48.42
A

ATOM
1439
OB1
CDI
421
15.693
29.403
5.246
1.00
49.24
A

ATOM
1440
OHH
SOL
500
34.567
25.567
19.304
1.00
21.50
A

ATOM
1441
H1
SOL
500
34.229
24.789
19.776
0.00
0.00
A

ATOM
1442
H2
SOL
500
33.740
25.909
18.923
0.00
0.00
A

ATOM
1443
OHH
SOL
501
13.687
25.725
7.989
1.00
39.44
A

ATOM
1444
H1
SOL
501
14.048
24.833
7.979
0.00
0.00
A

ATOM
1445
H2
SOL
501
13.292
25.762
7.087
0.00
0.00
A

ATOM
1446
OHH
SOL
502
26.621
30.165
2.340
1.00
35.30
A

ATOM
1447
H1
SOL
502
25.806
30.248
1.799
0.00
0.00
A

ATOM
1448
H2
SOL
502
26.429
29.349
2.857
0.00
0.00
A

ATOM
1449
OHH
SOL
504
23.232
32.682
7.613
1.00
33.61
A

ATOM
1450
H1
SOL
504
23.982
33.212
7.311
0.00
0.00
A

ATOM
1451
H2
SOL
504
23.336
32.666
8.580
0.00
0.00
A

ATOM
1452
OHH
SOL
506
14.480
30.595
12.781
1.00
32.91
A

ATOM
1453
H1
SOL
506
13.767
30.473
13.437
0.00
0.00
A

ATOM
1454
H2
SOL
506
15.275
30.685
13.336
0.00
0.00
A

ATOM
1455
OHH
SOL
507
15.417
28.587
10.502
1.00
36.64
A

ATOM
1456
H1
SOL
507
15.097
29.185
11.206
0.00
0.00
A

ATOM
1457
H2
SOL
507
14.931
27.760
10.711
0.00
0.00
A

ATOM
1458
OHH
SOL
509
27.035
43.720
7.653
1.00
43.22
A

ATOM
1459
H1
SOL
509
27.148
43.285
8.498
0.00
0.00
A

ATOM
1460
H2
SOL
509
26.082
43.932
7.705
0.00
0.00
A

ATOM
1461
OHH
SOL
510
30.943
15.399
−1.988
1.00
46.57
A

ATOM
1462
H1
SOL
510
30.128
15.891
−2.186
0.00
0.00
A

ATOM
1463
H2
SOL
510
30.949
14.768
−2.709
0.00
0.00
A

ATOM
1464
OHH
SOL
511
17.796
28.161
11.843
1.00
32.41
A

ATOM
1465
H1
SOL
511
16.906
28.118
11.460
0.00
0.00
A

ATOM
1466
H2
SOL
511
17.672
28.860
12.517
0.00
0.00
A

ATOM
1467
OHH
SOL
512
14.032
23.548
2.498
1.00
35.90
A

ATOM
1468
H1
SOL
512
13.191
23.953
2.783
0.00
0.00
A

ATOM
1469
H2
SOL
512
14.342
24.121
1.772
0.00
0.00
A

ATOM
1470
OHH
SOL
513
30.183
28.791
−2.286
1.00
47.00
A

ATOM
1471
H1
SOL
513
30.763
29.564
−2.375
0.00
0.00
A

ATOM
1472
H2
SOL
513
29.716
29.001
−1.463
0.00
0.00
A

ATOM
1473
OHH
SOL
514
39.483
31.332
1.778
1.00
37.59
A

ATOM
1474
H1
SOL
514
38.841
30.607
1.759
0.00
0.00
A

ATOM
1475
H2
SOL
514
39.865
31.338
0.878
0.00
0.00
A

ATOM
1476
OHH
SOL
515
24.779
5.067
7.879
1.00
53.99
A

ATOM
1477
H1
SOL
515
24.493
5.917
7.514
0.00
0.00
A

ATOM
1478
H2
SOL
515
24.810
5.175
8.840
0.00
0.00
A

ATOM
1479
OHH
SOL
516
37.994
33.584
2.226
1.00
41.42
A

ATOM
1480
H1
SOL
516
38.192
34.002
3.102
0.00
0.00
A

ATOM
1481
H2
SOL
516
38.627
32.836
2.262
0.00
0.00
A

ATOM
1482
OHH
SOL
517
9.698
13.452
5.976
1.00
34.80
A

ATOM
1483
H1
SOL
517
8.881
13.264
5.469
0.00
0.00
A

ATOM
1484
H2
SOL
517
10.403
13.303
5.302
0.00
0.00
A

ATOM
1485
OHH
SOL
518
28.592
31.404
0.614
1.00
38.16
A

ATOM
1486
H1
SOL
518
27.949
30.938
1.186
0.00
0.00
A

ATOM
1487
H2
SOL
518
28.145
32.277
0.580
0.00
0.00
A

ATOM
1488
OHH
SOL
519
28.910
20.728
−8.224
1.00
40.61
A

ATOM
1489
H1
SOL
519
29.565
20.061
−7.978
0.00
0.00
A

ATOM
1490
H2
SOL
519
28.266
20.209
−8.721
0.00
0.00
A

ATOM
1491
OHH
SOL
520
21.687
39.021
1.304
1.00
65.80
A

ATOM
1492
H1
SOL
520
21.449
39.794
0.786
0.00
0.00
A

ATOM
1493
H2
SOL
520
22.655
39.075
1.264
0.00
0.00
A

ATOM
1494
OHH
SOL
521
28.954
9.757
5.702
1.00
69.84
A

ATOM
1495
H1
SOL
521
28.738
9.940
4.766
0.00
0.00
A

ATOM
1496
H2
SOL
521
28.044
9.614
6.019
0.00
0.00
A

ATOM
1497
OHH
SOL
523
30.266
41.417
10.179
1.00
49.70
A

ATOM
1498
H1
SOL
523
30.826
40.689
10.466
0.00
0.00
A

ATOM
1499
H2
SOL
523
29.381
41.149
10.459
0.00
0.00
A

ATOM
1500
OHH
SOL
524
21.253
9.787
1.438
1.00
38.76
A

ATOM
1501
H1
SOL
524
20.962
10.146
2.283
0.00
0.00
A

ATOM
1502
H2
SOL
524
20.437
9.462
1.054
0.00
0.00
A

ATOM
1503
OHH
SOL
525
19.929
1.467
9.971
1.00
59.36
A

ATOM
1504
H1
SOL
525
19.371
1.310
10.736
0.00
0.00
A

ATOM
1505
H2
SOL
525
20.156
2.409
10.044
0.00
0.00
A

ATOM
1506
OHH
SOL
526
34.771
37.192
5.186
1.00
56.98
A

ATOM
1507
H1
SOL
526
34.188
36.728
5.810
0.00
0.00
A

ATOM
1508
H2
SOL
526
35.598
36.674
5.208
0.00
0.00
A

ATOM
1509
OHH
SOL
527
22.788
25.120
−0.048
1.00
48.13
A

ATOM
1510
H1
SOL
527
22.719
25.132
0.914
0.00
0.00
A

ATOM
1511
H2
SOL
527
22.275
25.921
−0.296
0.00
0.00
A

ATOM
1512
OHH
SOL
528
9.086
10.014
3.927
1.00
43.84
A

ATOM
1513
H1
SOL
528
8.603
10.683
3.440
0.00
0.00
A

ATOM
1514
H2
SOL
528
9.998
10.198
3.614
0.00
0.00
A

ATOM
1515
OHH
SOL
529
17.341
15.147
13.553
1.00
42.96
A

ATOM
1516
H1
SOL
529
16.443
15.476
13.461
0.00
0.00
A

ATOM
1517
H2
SOL
529
17.864
15.945
13.654
0.00
0.00
A

ATOM
1518
OHH
SOL
530
35.613
34.205
1.352
1.00
44.53
A

ATOM
1519
H1
SOL
530
35.989
35.074
1.189
0.00
0.00
A

ATOM
1520
H2
SOL
530
36.459
33.767
1.645
0.00
0.00
A

ATOM
1521
OHH
SOL
531
13.208
27.540
3.365
1.00
44.73
A

ATOM
1522
H1
SOL
531
12.853
26.818
3.945
0.00
0.00
A

ATOM
1523
H2
SOL
531
12.554
28.222
3.562
0.00
0.00
A

ATOM
1524
OHH
SOL
532
35.616
17.691
12.757
1.00
46.29
A

ATOM
1525
H1
SOL
532
34.935
18.377
12.728
0.00
0.00
A

ATOM
1526
H2
SOL
532
35.069
16.885
12.804
0.00
0.00
A

ATOM
1527
OHH
SOL
533
28.748
46.308
14.888
1.00
58.51
A

ATOM
1528
H1
SOL
533
28.368
46.695
14.098
0.00
0.00
A

ATOM
1529
H2
SOL
533
28.130
45.591
15.109
0.00
0.00
A

ATOM
1530
OHH
SOL
535
21.394
12.858
2.239
1.00
42.02
A

ATOM
1531
H1
SOL
535
22.105
12.255
2.024
0.00
0.00
A

ATOM
1532
H2
SOL
535
21.861
13.700
2.346
0.00
0.00
A

ATOM
1533
OHH
SOL
536
12.916
5.087
7.255
1.00
45.93
A

ATOM
1534
H1
SOL
536
12.364
4.530
6.697
0.00
0.00
A

ATOM
1535
H2
SOL
536
13.799
4.895
6.892
0.00
0.00
A

ATOM
1536
OHH
SOL
537
13.990
17.912
−7.363
1.00
64.03
A

ATOM
1537
H1
SOL
537
13.089
17.641
−7.166
0.00
0.00
A

ATOM
1538
H2
SOL
537
14.272
17.289
−8.041
0.00
0.00
A

ATOM
1539
OHH
SOL
538
29.683
12.112
−0.139
1.00
53.96
A

ATOM
1540
H1
SOL
538
28.961
11.830
−0.739
0.00
0.00
A

ATOM
1541
H2
SOL
538
30.280
12.562
−0.746
0.00
0.00
A

ATOM
1542
OHH
SOL
539
18.915
43.372
6.906
1.00
66.68
A

ATOM
1543
H1
SOL
539
18.234
42.835
6.482
0.00
0.00
A

ATOM
1544
H2
SOL
539
19.708
43.161
6.402
0.00
0.00
A

ATOM
1545
OHH
SOL
540
15.767
41.795
16.405
1.00
58.97
A

ATOM
1546
H1
SOL
540
16.480
41.167
16.203
0.00
0.00
A

ATOM
1547
H2
SOL
540
16.103
42.603
15.989
0.00
0.00
A

ATOM
1548
OHH
SOL
541
43.675
30.697
15.504
1.00
52.11
A

ATOM
1549
H1
SOL
541
43.904
30.823
14.570
0.00
0.00
A

ATOM
1550
H2
SOL
541
44.232
29.955
15.773
0.00
0.00
A

ATOM
1551
OHH
SOL
542
28.639
28.629
−4.553
1.00
57.47
A

ATOM
1552
H1
SOL
542
27.909
29.123
−4.157
0.00
0.00
A

ATOM
1553
H2
SOL
542
29.258
28.604
−3.791
0.00
0.00
A

ATOM
1554
OHH
SOL
543
30.880
35.768
0.983
1.00
46.52
A

ATOM
1555
H1
SOL
543
31.240
35.874
0.092
0.00
0.00
A

ATOM
1556
H2
SOL
543
29.993
35.408
0.748
0.00
0.00
A

ATOM
1557
OHH
SOL
545
34.116
40.786
11.676
1.00
61.39
A

ATOM
1558
H1
SOL
545
33.694
40.261
10.987
0.00
0.00
A

ATOM
1559
H2
SOL
545
35.049
40.607
11.549
0.00
0.00
A

ATOM
1560
OHH
SOL
546
43.206
32.097
12.827
1.00
47.63
A

ATOM
1561
H1
SOL
546
42.577
32.633
12.321
0.00
0.00
A

ATOM
1562
H2
SOL
546
43.908
31.994
12.172
0.00
0.00
A

ATOM
1563
OHH
SOL
547
19.004
43.743
15.170
1.00
70.46
A

ATOM
1564
H1
SOL
547
19.501
43.109
15.696
0.00
0.00
A

ATOM
1565
H2
SOL
547
19.256
44.573
15.599
0.00
0.00
A

ATOM
1566
OHH
SOL
549
27.508
11.208
−1.632
1.00
56.30
A

ATOM
1567
H1
SOL
549
27.559
10.264
−1.832
0.00
0.00
A

ATOM
1568
H2
SOL
549
26.813
11.488
−2.245
0.00
0.00
A

ATOM
1569
OHH
SOL
550
25.930
31.130
−1.783
1.00
54.46
A

ATOM
1570
H1
SOL
550
25.911
32.093
−1.807
0.00
0.00
A

ATOM
1571
H2
SOL
550
25.489
30.959
−0.925
0.00
0.00
A

ATOM
1572
OHH
SOL
551
24.034
33.005
−3.291
1.00
75.47
A

ATOM
1573
H1
SOL
551
23.136
33.366
−3.161
0.00
0.00
A

ATOM
1574
H2
SOL
551
23.995
32.152
−2.846
0.00
0.00
A

ATOM
1575
OHH
SOL
554
31.449
31.231
0.488
1.00
35.34
A

ATOM
1576
H1
SOL
554
31.342
30.276
0.663
0.00
0.00
A

ATOM
1577
H2
SOL
554
30.493
31.478
0.444
0.00
0.00
A

ATOM
1578
OHH
SOL
555
9.846
38.866
10.474
1.00
75.90
A

ATOM
1579
H1
SOL
555
10.714
39.266
10.591
0.00
0.00
A

ATOM
1580
H2
SOL
555
9.646
39.028
9.553
0.00
0.00
A

ATOM
1581
OHH
SOL
556
13.060
16.343
−0.241
1.00
49.86
A

ATOM
1582
H1
SOL
556
13.715
16.352
0.468
0.00
0.00
A

ATOM
1583
H2
SOL
556
13.604
16.480
−1.025
0.00
0.00
A

ATOM
1584
OHH
SOL
557
35.039
38.372
17.347
1.00
56.28
A

ATOM
1585
H1
SOL
557
35.750
38.943
17.037
0.00
0.00
A

ATOM
1586
H2
SOL
557
34.581
38.179
16.515
0.00
0.00
A

ATOM
1587
OHH
SOL
558
29.262
41.364
27.524
1.00
54.52
A

ATOM
1588
H1
SOL
558
29.604
41.592
26.650
0.00
0.00
A

ATOM
1589
H2
SOL
558
28.781
42.160
27.763
0.00
0.00
A

ATOM
1590
OHH
SOL
560
25.196
7.130
3.066
1.00
61.58
A

ATOM
1591
H1
SOL
560
25.441
7.461
3.939
0.00
0.00
A

ATOM
1592
H2
SOL
560
25.971
7.367
2.548
0.00
0.00
A

ATOM
1593
OHH
SOL
561
32.518
16.115
−8.072
1.00
43.55
A

ATOM
1594
H1
SOL
561
31.972
15.547
−7.524
0.00
0.00
A

ATOM
1595
H2
SOL
561
33.280
15.564
−8.275
0.00
0.00
A

ATOM
1596
OHH
SOL
563
9.305
41.251
4.170
1.00
66.69
A

ATOM
1597
H1
SOL
563
9.118
42.153
4.444
0.00
0.00
A

ATOM
1598
H2
SOL
563
10.198
41.352
3.794
0.00
0.00
A

ATOM
1599
OHH
SOL
564
29.327
41.916
5.176
1.00
95.89
A

ATOM
1600
H1
SOL
564
30.107
42.424
5.445
0.00
0.00
A

ATOM
1601
H2
SOL
564
28.644
42.385
5.686
0.00
0.00
A

ATOM
1602
OHH
SOL
568
28.580
35.745
32.916
1.00
86.87
A

ATOM
1603
H1
SOL
568
28.150
34.903
33.137
0.00
0.00
A

ATOM
1604
H2
SOL
568
28.583
36.180
33.781
0.00
0.00
A

ATOM
1605
OHH
SOL
571
16.100
4.301
5.537
1.00
60.63
A

ATOM
1606
H1
SOL
571
16.470
4.976
6.136
0.00
0.00
A

ATOM
1607
H2
SOL
571
16.604
3.525
5.786
0.00
0.00
A

ATOM
1608
OHH
SOL
573
33.217
18.856
−9.572
1.00
73.74
A

ATOM
1609
H1
SOL
573
34.180
18.855
−9.585
0.00
0.00
A

ATOM
1610
H2
SOL
573
33.014
18.158
−8.928
0.00
0.00
A

ATOM
1611
OHH
SOL
574
23.718
27.419
−4.837
1.00
85.27
A

ATOM
1612
H1
SOL
574
23.602
27.892
−4.008
0.00
0.00
A

ATOM
1613
H2
SOL
574
23.382
26.539
−4.639
0.00
0.00
A

ATOM
1614
OHH
SOL
575
27.722
48.442
12.899
1.00
68.94
A

ATOM
1615
H1
SOL
575
28.435
48.746
12.322
0.00
0.00
A

ATOM
1616
H2
SOL
575
27.988
48.830
13.747
0.00
0.00
A

ATOM
1617
OHH
SOL
576
28.242
15.243
−7.541
1.00
64.76
A

ATOM
1618
H1
SOL
576
27.575
15.525
−8.171
0.00
0.00
A

ATOM
1619
H2
SOL
576
28.459
14.356
−7.838
0.00
0.00
A

ATOM
1620
OHH
SOL
579
9.353
14.226
1.439
1.00
56.70
A

ATOM
1621
H1
SOL
579
9.955
14.830
0.994
0.00
0.00
A

ATOM
1622
H2
SOL
579
9.932
13.779
2.066
0.00
0.00
A

ATOM
1623
OHH
SOL
580
31.711
32.568
−8.349
1.00
83.56
A

ATOM
1624
H1
SOL
580
31.628
32.366
−7.412
0.00
0.00
A

ATOM
1625
H2
SOL
580
32.496
33.126
−8.349
0.00
0.00
A

ATOM
1626
OHH
SOL
581
8.578
7.445
5.797
1.00
64.02
A

ATOM
1627
H1
SOL
581
7.685
7.753
6.005
0.00
0.00
A

ATOM
1628
H2
SOL
581
8.795
8.012
5.040
0.00
0.00
A

ATOM
1629
OHH
SOL
582
28.647
38.106
−0.590
1.00
78.12
A

ATOM
1630
H1
SOL
582
28.375
37.171
−0.560
0.00
0.00
A

ATOM
1631
H2
SOL
582
27.767
38.520
−0.648
0.00
0.00
A

ATOM
1632
OHH
SOL
583
16.973
27.839
15.433
1.00
37.18
A

ATOM
1633
H1
SOL
583
16.809
27.328
14.619
0.00
0.00
A

ATOM
1634
H2
SOL
583
17.155
28.709
14.990
0.00
0.00
A

ATOM
1635
OHH
SOL
584
29.980
23.052
−9.410
1.00
37.74
A

ATOM
1636
H1
SOL
584
30.624
22.499
−9.854
0.00
0.00
A

ATOM
1637
H2
SOL
584
29.501
22.353
−8.907
0.00
0.00
A

ATOM
1638
OHH
SOL
585
21.646
45.461
17.002
1.00
55.74
A

ATOM
1639
H1
SOL
585
22.463
45.030
17.288
0.00
0.00
A

ATOM
1640
H2
SOL
585
21.509
46.127
17.678
0.00
0.00
A

ATOM
1641
OHH
SOL
586
11.593
30.373
1.956
1.00
74.17
A

ATOM
1642
H1
SOL
586
10.943
29.686
2.112
0.00
0.00
A

ATOM
1643
H2
SOL
586
11.517
30.833
2.828
0.00
0.00
A

ATOM
1644
OHH
SOL
588
12.372
9.439
0.881
1.00
70.04
A

ATOM
1645
H1
SOL
588
13.321
9.582
0.928
0.00
0.00
A

ATOM
1646
H2
SOL
588
12.064
9.911
1.675
0.00
0.00
A

ATOM
1647
OHH
SOL
589
14.767
13.345
−1.957
1.00
64.33
A

ATOM
1648
H1
SOL
589
14.068
13.578
−2.570
0.00
0.00
A

ATOM
1649
H2
SOL
589
14.332
12.752
−1.337
0.00
0.00
A

ATOM
1650
OHH
SOL
590
33.526
40.123
2.689
1.00
87.57
A

ATOM
1651
H1
SOL
590
34.177
40.810
2.535
0.00
0.00
A

ATOM
1652
H2
SOL
590
34.011
39.467
3.207
0.00
0.00
A

ATOM
1653
OHH
SOL
592
28.640
9.715
2.253
1.00
61.78
A

ATOM
1654
H1
SOL
592
27.774
10.029
1.995
0.00
0.00
A

ATOM
1655
H2
SOL
592
29.211
10.057
1.554
0.00
0.00
A

END

[0237]

9

ANNEX 5

Coordinates of structure subop

ATOM
1
CB
MET
1
29.962
34.223
29.311
1.00
52.63
A

ATOM
2
CG
MET
1
31.362
34.497
28.846
1.00
61.65
A

ATOM
3
SD
MET
1
32.459
33.172
29.304
1.00
74.65
A

ATOM
4
CE
MET
1
33.589
34.038
30.482
1.00
72.98
A

ATOM
5
C
MET
1
27.618
34.868
28.791
1.00
44.93
A

ATOM
6
O
MET
1
26.901
34.556
29.739
1.00
45.18
A

ATOM
7
HT1
MET
1
28.723
35.934
30.942
0.00
0.00
A

ATOM
8
HT2
MET
1
28.522
37.210
29.864
0.00
0.00
A

ATOM
9
N
MET
1
29.134
36.411
30.109
1.00
49.87
A

ATOM
10
HT3
MET
1
30.112
36.694
30.283
0.00
0.00
A

ATOM
11
CA
MET
1
29.029
35.383
29.027
1.00
48.64
A

ATOM
12
N
ARG
2
27.228
34.789
27.522
1.00
41.63
A

ATOM
13
H
ARG
2
27.824
34.986
26.779
0.00
0.00
A

ATOM
14
CA
ARG
2
25.900
34.331
27.141
1.00
38.93
A

ATOM
15
CB
ARG
2
25.110
35.484
26.536
1.00
38.34
A

ATOM
16
CG
ARG
2
24.889
36.600
27.537
1.00
40.15
A

ATOM
17
CD
ARG
2
24.159
37.780
26.946
1.00
43.49
A

ATOM
18
NE
ARG
2
22.803
37.432
26.546
1.00
49.86
A

ATOM
19
HE
ARG
2
22.724
36.970
25.682
0.00
0.00
A

ATOM
20
CZ
ARG
2
21.702
37.669
27.261
1.00
52.16
A

ATOM
21
NH1
ARG
2
20.524
37.290
26.773
1.00
52.11
A

ATOM
22
HH11
ARG
2
20.441
36.817
25.892
0.00
0.00
A

ATOM
23
HH12
ARG
2
19.681
37.453
27.283
0.00
0.00
A

ATOM
24
NH2
ARG
2
21.773
38.258
28.460
1.00
52.43
A

ATOM
25
HH21
ARG
2
22.640
38.522
28.875
0.00
0.00
A

ATOM
26
HH22
ARG
2
20.952
38.449
29.038
0.00
0.00
A

ATOM
27
C
ARG
2
25.965
33.144
26.194
1.00
37.41
A

ATOM
28
O
ARG
2
26.865
33.052
25.375
1.00
38.48
A

ATOM
29
N
ILE
3
24.993
32.247
26.308
1.00
36.39
A

ATOM
30
H
ILE
3
24.220
32.438
26.872
0.00
0.00
A

ATOM
31
CA
ILE
3
24.935
31.032
25.503
1.00
33.51
A

ATOM
32
CB
ILE
3
24.694
29.816
26.429
1.00
33.84
A

ATOM
33
CG2
ILE
3
23.364
29.945
27.128
1.00
33.49
A

ATOM
34
CG1
ILE
3
24.695
28.515
25.641
1.00
36.12
A

ATOM
35
CD1
ILE
3
24.494
27.301
26.514
1.00
36.98
A

ATOM
36
C
ILE
3
23.805
31.111
24.494
1.00
30.73
A

ATOM
37
O
ILE
3
22.780
31.695
24.770
1.00
30.26
A

ATOM
38
N
GLY
4
23.979
30.501
23.335
1.00
30.42
A

ATOM
39
H
GLY
4
24.812
30.021
23.143
0.00
0.00
A

ATOM
40
CA
GLY
4
22.925
30.528
22.337
1.00
29.96
A

ATOM
41
C
GLY
4
22.779
29.187
21.645
1.00
30.41
A

ATOM
42
O
GLY
4
23.725
28.395
21.615
1.00
31.83
A

ATOM
43
N
HIS
5
21.600
28.914
21.101
1.00
29.48
A

ATOM
44
H
HIS
5
20.916
29.590
21.136
0.00
0.00
A

ATOM
45
CA
HIS
5
21.348
27.661
20.405
1.00
28.78
A

ATOM
46
CB
HIS
5
20.560
26.674
21.277
1.00
27.53
A

ATOM
47
CG
HIS
5
20.211
25.392
20.574
1.00
28.39
A

ATOM
48
CD2
HIS
5
20.928
24.254
20.379
1.00
25.67
A

ATOM
49
ND1
HIS
5
19.008
25.203
19.922
1.00
26.84
A

ATOM
50
HD1
HIS
5
18.240
25.819
19.891
0.00
0.00
A

ATOM
51
CE1
HIS
5
19.003
24.008
19.352
1.00
29.50
A

ATOM
52
NE2
HIS
5
20.153
23.413
19.616
1.00
27.00
A

ATOM
53
HE2
HIS
5
20.305
22.471
19.355
0.00
0.00
A

ATOM
54
C
HIS
5
20.555
27.903
19.141
1.00
30.08
A

ATOM
55
O
HIS
5
19.550
28.629
19.153
1.00
30.89
A

ATOM
56
N
GLY
6
20.983
27.252
18.065
1.00
28.82
A

ATOM
57
H
GLY
6
21.783
26.681
18.099
0.00
0.00
A

ATOM
58
CA
GLY
6
20.285
27.369
16.803
1.00
29.21
A

ATOM
59
C
GLY
6
20.037
25.986
16.233
1.00
30.47
A

ATOM
60
O
GLY
6
20.679
25.017
16.654
1.00
32.59
A

ATOM
61
N
PHE
7
19.082
25.881
15.316
1.00
29.56
A

ATOM
62
H
PHE
7
18.574
26.672
15.013
0.00
0.00
A

ATOM
63
CA
PHE
7
18.766
24.614
14.673
1.00
28.22
A

ATOM
64
CB
PHE
7
17.794
23.818
15.532
1.00
29.32
A

ATOM
65
CG
PHE
7
17.322
22.558
14.889
1.00
29.49
A

ATOM
66
CD1
PHE
7
18.010
21.377
15.067
1.00
30.04
A

ATOM
67
CD2
PHE
7
16.208
22.559
14.068
1.00
31.25
A

ATOM
68
CE1
PHE
7
17.599
20.215
14.430
1.00
29.25
A

ATOM
69
CE2
PHE
7
15.792
21.396
13.427
1.00
29.51
A

ATOM
70
CZ
PHE
7
16.491
20.226
13.609
1.00
27.89
A

ATOM
71
C
PHE
7
18.127
24.926
13.334
1.00
28.47
A

ATOM
72
O
PHE
7
17.363
25.884
13.238
1.00
29.91
A

ATOM
73
N
ASP
8
18.443
24.146
12.303
1.00
28.72
A

ATOM
74
H
ASP
8
19.078
23.404
12.408
0.00
0.00
A

ATOM
75
CA
ASP
8
17.856
24.374
10.979
1.00
29.63
A

ATOM
76
CB
ASP
8
18.577
25.501
10.253
1.00
32.47
A

ATOM
77
CG
ASP
8
17.800
26.028
9.057
1.00
34.46
A

ATOM
78
OD1
ASP
8
18.453
26.536
8.131
1.00
37.43
A

ATOM
79
OD2
ASP
8
16.552
25.962
9.030
1.00
37.51
A

ATOM
80
C
ASP
8
17.829
23.123
10.116
1.00
29.46
A

ATOM
81
O
ASP
8
18.583
22.184
10.352
1.00
32.34
A

ATOM
82
N
VAL
9
16.940
23.106
9.131
1.00
29.31
A

ATOM
83
H
VAL
9
16.351
23.883
9.005
0.00
0.00
A

ATOM
84
CA
VAL
9
16.772
21.968
8.232
1.00
28.06
A

ATOM
85
CB
VAL
9
15.621
21.058
8.727
1.00
27.07
A

ATOM
86
CG1
VAL
9
15.269
20.001
7.695
1.00
24.82
A

ATOM
87
CG2
VAL
9
15.991
20.412
10.031
1.00
26.44
A

ATOM
88
C
VAL
9
16.378
22.471
6.853
1.00
30.26
A

ATOM
89
O
VAL
9
15.696
23.487
6.730
1.00
32.51
A

ATOM
90
N
HIS
10
16.870
21.813
5.811
1.00
32.35
A

ATOM
91
H
HIS
10
17.482
21.056
5.974
0.00
0.00
A

ATOM
92
CA
HIS
10
16.503
22.159
4.435
1.00
32.38
A

ATOM
93
CB
HIS
10
17.491
23.121
3.787
1.00
32.45
A

ATOM
94
CG
HIS
10
17.316
24.531
4.244
1.00
36.74
A

ATOM
95
CD2
HIS
10
17.974
25.254
5.184
1.00
38.47
A

ATOM
96
ND1
HIS
10
16.290
25.333
3.796
1.00
38.43
A

ATOM
97
HD1
HIS
10
15.567
25.048
3.162
0.00
0.00
A

ATOM
98
CE1
HIS
10
16.322
26.487
4.442
1.00
40.50
A

ATOM
99
NE2
HIS
10
17.336
26.467
5.292
1.00
40.65
A

ATOM
100
C
HIS
10
16.344
20.878
3.640
1.00
32.44
A

ATOM
101
O
HIS
10
17.077
19.901
3.846
1.00
33.42
A

ATOM
102
N
ALA
11
15.319
20.846
2.806
1.00
31.37
A

ATOM
103
H
ALA
11
14.728
21.626
2.714
0.00
0.00
A

ATOM
104
CA
ALA
11
15.045
19.665
2.012
1.00
31.14
A

ATOM
105
CB
ALA
11
13.558
19.591
1.704
1.00
31.96
A

ATOM
106
C
ALA
11
15.852
19.640
0.722
1.00
31.16
A

ATOM
107
O
ALA
11
16.132
20.691
0.139
1.00
31.48
A

ATOM
108
N
PHE
12
16.244
18.442
0.292
1.00
30.80
A

ATOM
109
H
PHE
12
15.982
17.642
0.796
0.00
0.00
A

ATOM
110
CA
PHE
12
16.988
18.291
−0.946
1.00
29.21
A

ATOM
111
CB
PHE
12
17.534
16.878
−1.103
1.00
24.76
A

ATOM
112
CG
PHE
12
18.799
16.639
−0.354
1.00
20.58
A

ATOM
113
CD1
PHE
12
19.885
17.472
−0.531
1.00
20.76
A

ATOM
114
CD2
PHE
12
18.889
15.620
0.567
1.00
18.78
A

ATOM
115
CE1
PHE
12
21.043
17.294
0.205
1.00
20.14
A

ATOM
116
CE2
PHE
12
20.041
15.436
1.305
1.00
19.08
A

ATOM
117
CZ
PHE
12
21.121
16.280
1.122
1.00
19.86
A

ATOM
118
C
PHE
12
16.016
18.577
−2.061
1.00
33.33
A

ATOM
119
O
PHE
12
14.806
18.411
−1.904
1.00
35.03
A

ATOM
120
N
GLY
13
16.542
19.022
−3.187
1.00
37.05
A

ATOM
121
H
GLY
13
17.492
19.157
−3.305
0.00
0.00
A

ATOM
122
CA
GLY
13
15.696
19.326
−4.312
1.00
41.25
A

ATOM
123
C
GLY
13
16.552
19.874
−5.422
1.00
45.25
A

ATOM
124
O
GLY
13
17.495
20.641
−5.179
1.00
47.14
A

ATOM
125
N
GLY
14
16.257
19.430
−6.637
1.00
47.30
A

ATOM
126
H
GLY
14
15.558
18.759
−6.752
0.00
0.00
A

ATOM
127
CA
GLY
14
16.992
19.895
−7.793
1.00
50.54
A

ATOM
128
C
GLY
14
18.341
19.241
−7.953
1.00
52.09
A

ATOM
129
O
GLY
14
18.606
18.176
−7.378
1.00
51.16
A

ATOM
130
N
GLU
15
19.187
19.908
−8.730
1.00
54.27
A

ATOM
131
H
GLU
15
18.924
20.757
−9.127
0.00
0.00
A

ATOM
132
CA
GLU
15
20.532
19.441
−9.016
1.00
57.13
A

ATOM
133
CB
GLU
15
20.927
19.851
−10.441
1.00
64.20
A

ATOM
134
CG
GLU
15
20.057
19.252
−11.542
1.00
72.91
A

ATOM
135
CD
GLU
15
20.120
17.730
−11.567
1.00
79.20
A

ATOM
136
OE1
GLU
15
19.107
17.080
−11.207
1.00
83.00
A

ATOM
137
OE2
GLU
15
21.186
17.189
−11.944
1.00
82.31
A

ATOM
138
C
GLU
15
21.514
20.048
−8.025
1.00
54.95
A

ATOM
139
O
GLU
15
21.261
21.130
−7.483
1.00
55.59
A

ATOM
140
N
GLY
16
22.621
19.347
−7.784
1.00
52.26
A

ATOM
141
H
GLY
16
22.735
18.482
−8.239
0.00
0.00
A

ATOM
142
CA
GLY
16
23.639
19.840
−6.871
1.00
48.46
A

ATOM
143
C
GLY
16
24.331
21.061
−7.448
1.00
45.84
A

ATOM
144
O
GLY
16
23.980
21.503
−8.540
1.00
47.51
A

ATOM
145
N
CPR
17
25.349
21.609
−6.775
1.00
41.94
A

ATOM
146
CD
CPR
17
25.972
22.834
−7.306
1.00
39.38
A

ATOM
147
CA
CPR
17
25.960
21.231
−5.509
1.00
40.08
A

ATOM
148
CB
CPR
17
27.352
21.809
−5.659
1.00
40.53
A

ATOM
149
CG
CPR
17
27.054
23.144
−6.290
1.00
38.02
A

ATOM
150
C
CPR
17
25.210
21.918
−4.375
1.00
39.29
A

ATOM
151
O
CPR
17
24.285
22.703
−4.610
1.00
42.86
A

ATOM
152
N
ILE
18
25.625
21.652
−3.149
1.00
33.98
A

ATOM
153
H
ILE
18
26.394
21.069
−2.996
0.00
0.00
A

ATOM
154
CA
ILE
18
24.983
22.253
−2.008
1.00
29.60
A

ATOM
155
CB
ILE
18
24.595
21.187
−0.959
1.00
29.23
A

ATOM
156
CG2
ILE
18
23.732
20.126
−1.597
1.00
29.74
A

ATOM
157
CG1
ILE
18
25.835
20.514
−0.378
1.00
28.24
A

ATOM
158
CD1
ILE
18
25.505
19.420
0.602
1.00
26.36
A

ATOM
159
C
ILE
18
25.980
23.202
−1.413
1.00
28.18
A

ATOM
160
O
ILE
18
27.170
23.071
−1.663
1.00
30.26
A

ATOM
161
N
ILE
19
25.499
24.173
−0.648
1.00
27.10
A

ATOM
162
H
ILE
19
24.538
24.263
−0.480
0.00
0.00
A

ATOM
163
CA
ILE
19
26.380
25.128
0.003
1.00
24.05
A

ATOM
164
CB
ILE
19
26.003
26.580
−0.335
1.00
20.68
A

ATOM
165
CG2
ILE
19
27.085
27.500
0.104
1.00
16.94
A

ATOM
166
CG1
ILE
19
25.810
26.768
−1.838
1.00
21.49
A

ATOM
167
CD1
ILE
19
27.035
26.543
−2.658
1.00
24.27
A

ATOM
168
C
ILE
19
26.156
24.923
1.491
1.00
26.28
A

ATOM
169
O
ILE
19
25.030
25.086
1.956
1.00
28.20
A

ATOM
170
N
ILE
20
27.192
24.479
2.208
1.00
25.84
A

ATOM
171
H
ILE
20
28.050
24.323
1.755
0.00
0.00
A

ATOM
172
CA
ILE
20
27.118
24.254
3.651
1.00
24.42
A

ATOM
173
CB
ILE
20
27.207
22.764
4.009
1.00
24.98
A

ATOM
174
CG2
ILE
20
27.050
22.589
5.511
1.00
26.34
A

ATOM
175
CG1
ILE
20
26.151
21.937
3.270
1.00
25.62
A

ATOM
176
CD1
ILE
20
24.726
22.232
3.660
1.00
23.56
A

ATOM
177
C
ILE
20
28.333
24.897
4.297
1.00
26.42
A

ATOM
178
O
ILE
20
29.458
24.528
3.976
1.00
31.07
A

ATOM
179
N
GLY
21
28.128
25.817
5.232
1.00
25.27
A

ATOM
180
H
GLY
21
27.239
26.062
5.486
0.00
0.00
A

ATOM
181
CA
GLY
21
29.248
26.466
5.896
1.00
23.72
A

ATOM
182
C
GLY
21
30.060
27.295
4.932
1.00
24.12
A

ATOM
183
O
GLY
21
31.249
27.525
5.117
1.00
24.95
A

ATOM
184
N
GLY
22
29.408
27.741
3.874
1.00
26.31
A

ATOM
185
H
GLY
22
28.448
27.557
3.764
0.00
0.00
A

ATOM
186
CA
GLY
22
30.096
28.539
2.884
1.00
27.65
A

ATOM
187
C
GLY
22
30.710
27.706
1.779
1.00
27.87
A

ATOM
188
O
GLY
22
30.843
28.182
0.655
1.00
30.93
A

ATOM
189
N
VAL
23
31.027
26.449
2.064
1.00
25.46
A

ATOM
190
H
VAL
23
30.821
26.078
2.948
0.00
0.00
A

ATOM
191
CA
VAL
23
31.651
25.593
1.073
1.00
24.12
A

ATOM
192
CB
VAL
23
32.418
24.469
1.745
1.00
22.39
A

ATOM
193
CG1
VAL
23
33.115
23.635
0.726
1.00
24.07
A

ATOM
194
CG2
VAL
23
33.431
25.051
2.696
1.00
24.78
A

ATOM
195
C
VAL
23
30.685
25.019
0.058
1.00
25.36
A

ATOM
196
O
VAL
23
29.579
24.605
0.395
1.00
28.86
A

ATOM
197
N
ARG
24
31.091
25.032
−1.200
1.00
25.46
A

ATOM
198
H
ARG
24
31.967
25.391
−1.369
0.00
0.00
A

ATOM
199
CA
ARG
24
30.258
24.502
−2.262
1.00
27.56
A

ATOM
200
CB
ARG
24
30.579
25.195
−3.575
1.00
29.86
A

ATOM
201
CG
ARG
24
29.628
24.826
−4.680
1.00
41.26
A

ATOM
202
CD
ARG
24
30.103
25.337
−6.039
1.00
51.22
A

ATOM
203
NE
ARG
24
29.019
25.971
−6.786
1.00
57.32
A

ATOM
204
HE
ARG
24
28.570
26.699
−6.297
0.00
0.00
A

ATOM
205
CZ
ARG
24
28.648
25.634
−8.016
1.00
61.81
A

ATOM
206
NH1
ARG
24
27.644
26.291
−8.589
1.00
63.83
A

ATOM
207
HH11
ARG
24
27.179
27.035
−8.097
0.00
0.00
A

ATOM
208
HH12
ARG
24
27.312
26.097
−9.515
0.00
0.00
A

ATOM
209
NH2
ARG
24
29.267
24.639
−8.664
1.00
64.56
A

ATOM
210
HH21
ARG
24
30.016
24.145
−8.217
0.00
0.00
A

ATOM
211
HH22
ARG
24
29.002
24.360
−9.588
0.00
0.00
A

ATOM
212
C
ARG
24
30.620
23.040
−2.334
1.00
27.25
A

ATOM
213
O
ARG
24
31.692
22.691
−2.799
1.00
32.64
A

ATOM
214
N
ILE
25
29.764
22.193
−1.797
1.00
25.99
A

ATOM
215
H
ILE
25
28.935
22.543
−1.414
0.00
0.00
A

ATOM
216
CA
ILE
25
30.011
20.764
−1.765
1.00
24.92
A

ATOM
217
CB
ILE
25
29.503
20.198
−0.442
1.00
24.93
A

ATOM
218
CG2
ILE
25
29.585
18.713
−0.437
1.00
23.98
A

ATOM
219
CG1
ILE
25
30.295
20.786
0.719
1.00
23.99
A

ATOM
220
CD1
ILE
25
29.583
20.645
2.021
1.00
22.12
A

ATOM
221
C
ILE
25
29.273
20.071
−2.890
1.00
26.06
A

ATOM
222
O
ILE
25
28.073
20.253
−3.055
1.00
30.52
A

ATOM
223
N
PRO
26
29.977
19.284
−3.702
1.00
24.96
A

ATOM
224
CD
PRO
26
31.433
19.105
−3.800
1.00
23.95
A

ATOM
225
CA
PRO
26
29.295
18.592
−4.797
1.00
25.14
A

ATOM
226
CB
PRO
26
30.463
18.047
−5.618
1.00
20.80
A

ATOM
227
CG
PRO
26
31.534
17.854
−4.617
1.00
18.97
A

ATOM
228
C
PRO
26
28.394
17.466
−4.289
1.00
27.42
A

ATOM
229
O
PRO
26
28.814
16.674
−3.442
1.00
29.24
A

ATOM
230
N
TYR
27
27.178
17.379
−4.820
1.00
28.10
A

ATOM
231
H
TYR
27
26.867
18.001
−5.509
0.00
0.00
A

ATOM
232
CA
TYR
27
26.239
16.336
−4.417
1.00
31.96
A

ATOM
233
CB
TYR
27
25.482
16.759
−3.165
1.00
32.60
A

ATOM
234
CG
TYR
27
24.597
15.686
−2.575
1.00
33.02
A

ATOM
235
CD1
TYR
27
25.109
14.436
−2.253
1.00
31.99
A

ATOM
236
CE1
TYR
27
24.311
13.459
−1.680
1.00
32.46
A

ATOM
237
CD2
TYR
27
23.253
15.934
−2.310
1.00
33.37
A

ATOM
238
CE2
TYR
27
22.449
14.967
−1.737
1.00
34.43
A

ATOM
239
CZ
TYR
27
22.984
13.727
−1.424
1.00
33.33
A

ATOM
240
OH
TYR
27
22.188
12.755
−0.859
1.00
34.28
A

ATOM
241
HH
TYR
27
22.739
11.955
−0.811
0.00
0.00
A

ATOM
242
C
TYR
27
25.252
16.117
−5.547
1.00
35.50
A

ATOM
243
O
TYR
27
25.030
17.032
−6.341
1.00
36.76
A

ATOM
244
N
GLU
28
24.655
14.923
−5.614
1.00
38.61
A

ATOM
245
H
GLU
28
24.873
14.253
−4.938
0.00
0.00
A

ATOM
246
CA
GLU
28
23.690
14.604
−6.677
1.00
41.66
A

ATOM
247
CB
GLU
28
23.047
13.236
−6.478
1.00
44.28
A

ATOM
248
CG
GLU
28
23.827
12.246
−5.650
1.00
54.43
A

ATOM
249
CD
GLU
28
22.917
11.161
−5.061
1.00
60.42
A

ATOM
250
OE1
GLU
28
23.446
10.142
−4.561
1.00
66.13
A

ATOM
251
OE2
GLU
28
21.673
11.337
−5.073
1.00
61.99
A

ATOM
252
C
GLU
28
22.570
15.628
−6.707
1.00
40.86
A

ATOM
253
O
GLU
28
22.339
16.286
−7.721
1.00
43.08
A

ATOM
254
N
LYS
29
21.868
15.738
−5.587
1.00
39.17
A

ATOM
255
H
LYS
29
22.159
15.196
−4.833
0.00
0.00
A

ATOM
256
CA
LYS
29
20.769
16.676
−5.458
1.00
36.85
A

ATOM
257
CB
LYS
29
19.600
16.023
−4.714
1.00
35.30
A

ATOM
258
CG
LYS
29
19.966
14.771
−3.921
1.00
34.23
A

ATOM
259
CD
LYS
29
18.712
14.066
−3.425
1.00
36.41
A

ATOM
260
CE
LYS
29
19.013
12.756
−2.687
1.00
37.65
A

ATOM
261
NZ
LYS
29
19.568
12.901
−1.303
1.00
34.69
A

ATOM
262
HZ1
LYS
29
18.892
13.364
−0.654
0.00
0.00
A

ATOM
263
HZ2
LYS
29
20.500
13.371
−1.289
0.00
0.00
A

ATOM
264
HZ3
LYS
29
19.744
11.945
−0.943
0.00
0.00
A

ATOM
265
C
LYS
29
21.256
17.919
−4.735
1.00
36.56
A

ATOM
266
O
LYS
29
22.350
17.917
−4.171
1.00
36.77
A

ATOM
267
N
GLY
30
20.457
18.980
−4.787
1.00
36.51
A

ATOM
268
H
GLY
30
19.612
18.922
−5.279
0.00
0.00
A

ATOM
269
CA
GLY
30
20.797
20.232
−4.132
1.00
35.30
A

ATOM
270
C
GLY
30
19.829
20.532
−3.003
1.00
36.21
A

ATOM
271
O
GLY
30
19.037
19.664
−2.630
1.00
35.69
A

ATOM
272
N
LEU
31
19.871
21.748
−2.461
1.00
36.21
A

ATOM
273
H
LEU
31
20.460
22.432
−2.841
0.00
0.00
A

ATOM
274
CA
LEU
31
18.992
22.119
−1.347
1.00
36.48
A

ATOM
275
CB
LEU
31
19.805
22.589
−0.136
1.00
29.57
A

ATOM
276
CG
LEU
31
20.512
21.499
0.664
1.00
27.34
A

ATOM
277
CD1
LEU
31
21.354
22.077
1.790
1.00
25.59
A

ATOM
278
CD2
LEU
31
19.463
20.585
1.221
1.00
27.62
A

ATOM
279
C
LEU
31
17.957
23.174
−1.695
1.00
38.76
A

ATOM
280
O
LEU
31
18.275
24.195
−2.293
1.00
41.30
A

ATOM
281
N
LEU
32
16.715
22.914
−1.323
1.00
40.81
A

ATOM
282
H
LEU
32
16.531
22.081
−0.872
0.00
0.00
A

ATOM
283
CA
LEU
32
15.630
23.845
−1.566
1.00
45.91
A

ATOM
284
CB
LEU
32
14.316
23.089
−1.536
1.00
44.32
A

ATOM
285
CG
LEU
32
14.188
22.075
−2.656
1.00
45.12
A

ATOM
286
CD1
LEU
32
12.850
21.384
−2.546
1.00
44.88
A

ATOM
287
CD2
LEU
32
14.320
22.787
−3.992
1.00
45.65
A

ATOM
288
C
LEU
32
15.601
24.964
−0.515
1.00
50.68
A

ATOM
289
O
LEU
32
15.556
24.684
0.695
1.00
52.06
A

ATOM
290
N
ALA
33
15.613
26.220
−0.970
1.00
54.52
A

ATOM
291
H
ALA
33
15.679
26.412
−1.931
0.00
0.00
A

ATOM
292
CA
ALA
33
15.580
27.363
−0.059
1.00
59.97
A

ATOM
293
CB
ALA
33
16.803
27.324
0.865
1.00
59.56
A

ATOM
294
C
ALA
33
15.463
28.757
−0.722
1.00
64.08
A

ATOM
295
O
ALA
33
15.836
28.934
−1.889
1.00
65.41
A

ATOM
296
N
HIS
34
14.908
29.719
0.038
1.00
67.03
A

ATOM
297
H
HIS
34
14.587
29.447
0.922
0.00
0.00
A

ATOM
298
CA
HIS
34
14.741
31.131
−0.373
1.00
67.24
A

ATOM
299
CB
HIS
34
14.000
31.907
0.751
1.00
72.32
A

ATOM
300
CG
HIS
34
13.873
33.401
0.546
1.00
76.89
A

ATOM
301
CD2
HIS
34
14.181
34.435
1.373
1.00
75.97
A

ATOM
302
ND1
HIS
34
13.255
33.969
−0.552
1.00
78.35
A

ATOM
303
HD1
HIS
34
12.889
33.487
−1.322
0.00
0.00
A

ATOM
304
CE1
HIS
34
13.180
35.281
−0.388
1.00
76.83
A

ATOM
305
NE2
HIS
34
13.733
35.588
0.772
1.00
75.92
A

ATOM
306
HE2
HIS
34
13.711
36.481
1.195
0.00
0.00
A

ATOM
307
C
HIS
34
16.171
31.649
−0.552
1.00
65.90
A

ATOM
308
O
HIS
34
16.536
32.117
−1.628
1.00
65.51
A

ATOM
309
N
SER
35
16.973
31.511
0.506
1.00
64.16
A

ATOM
310
H
SER
35
16.636
31.093
1.320
0.00
0.00
A

ATOM
311
CA
SER
35
18.376
31.921
0.525
1.00
60.63
A

ATOM
312
CB
SER
35
18.865
31.959
1.980
1.00
62.00
A

ATOM
313
OG
SER
35
18.815
30.658
2.570
1.00
62.99
A

ATOM
314
HG
SER
35
19.734
30.401
2.371
0.00
0.00
A

ATOM
315
C
SER
35
19.153
30.857
−0.245
1.00
57.29
A

ATOM
316
O
SER
35
18.612
30.211
−1.139
1.00
57.11
A

ATOM
317
N
ASP
36
20.417
30.666
0.109
1.00
54.08
A

ATOM
318
H
ASP
36
20.891
31.246
0.747
0.00
0.00
A

ATOM
319
CA
ASP
36
21.233
29.642
−0.530
1.00
51.85
A

ATOM
320
CB
ASP
36
22.698
30.076
−0.565
1.00
49.85
A

ATOM
321
CG
ASP
36
23.241
30.373
0.801
1.00
50.76
A

ATOM
322
OD1
ASP
36
24.445
30.681
0.907
1.00
51.55
A

ATOM
323
OD2
ASP
36
22.458
30.302
1.775
1.00
51.70
A

ATOM
324
C
ASP
36
21.065
28.318
0.244
1.00
51.40
A

ATOM
325
O
ASP
36
21.747
27.318
−0.031
1.00
52.74
A

ATOM
326
N
GLY
37
20.163
28.336
1.230
1.00
48.41
A

ATOM
327
H
GLY
37
19.682
29.161
1.369
0.00
0.00
A

ATOM
328
CA
GLY
37
19.875
27.151
2.021
1.00
41.92
A

ATOM
329
C
GLY
37
21.020
26.572
2.826
1.00
38.34
A

ATOM
330
O
GLY
37
20.995
25.390
3.186
1.00
38.23
A

ATOM
331
N
ASP
38
21.989
27.410
3.165
1.00
33.46
A

ATOM
332
H
ASP
38
22.021
28.327
2.817
0.00
0.00
A

ATOM
333
CA
ASP
38
23.126
26.962
3.946
1.00
31.23
A

ATOM
334
CB
ASP
38
24.185
28.053
3.953
1.00
29.96
A

ATOM
335
CG
ASP
38
25.513
27.551
4.401
1.00
30.43
A

ATOM
336
OD1
ASP
38
25.554
26.670
5.275
1.00
32.57
A

ATOM
337
OD2
ASP
38
26.532
28.031
3.881
1.00
36.04
A

ATOM
338
C
ASP
38
22.695
26.609
5.376
1.00
31.85
A

ATOM
339
O
ASP
38
22.786
27.426
6.295
1.00
35.84
A

ATOM
340
N
VAL
39
22.217
25.387
5.561
1.00
30.29
A

ATOM
341
H
VAL
39
22.218
24.830
4.751
0.00
0.00
A

ATOM
342
CA
VAL
39
21.740
24.921
6.858
1.00
28.04
A

ATOM
343
CB
VAL
39
21.500
23.413
6.867
1.00
27.61
A

ATOM
344
CG1
VAL
39
20.493
23.070
7.911
1.00
31.92
A

ATOM
345
CG2
VAL
39
21.011
22.948
5.542
1.00
32.02
A

ATOM
346
C
VAL
39
22.688
25.208
8.001
1.00
28.76
A

ATOM
347
O
VAL
39
22.249
25.612
9.079
1.00
29.24
A

ATOM
348
N
ALA
40
23.983
25.005
7.762
1.00
27.09
A

ATOM
349
H
ALA
40
24.260
24.770
6.852
0.00
0.00
A

ATOM
350
CA
ALA
40
25.001
25.205
8.791
1.00
25.12
A

ATOM
351
CB
ALA
40
26.353
24.707
8.306
1.00
23.59
A

ATOM
352
C
ALA
40
25.110
26.652
9.225
1.00
24.93
A

ATOM
353
O
ALA
40
25.220
26.944
10.416
1.00
25.52
A

ATOM
354
N
LEU
41
25.093
27.573
8.274
1.00
23.93
A

ATOM
355
H
LEU
41
25.009
27.326
7.322
0.00
0.00
A

ATOM
356
CA
LEU
41
25.207
28.970
8.657
1.00
23.03
A

ATOM
357
CB
LEU
41
25.775
29.816
7.535
1.00
19.10
A

ATOM
358
CG
LEU
41
27.207
29.415
7.166
1.00
19.20
A

ATOM
359
CD1
LEU
41
27.704
30.280
6.018
1.00
21.52
A

ATOM
360
CD2
LEU
41
28.139
29.544
8.345
1.00
15.61
A

ATOM
361
C
LEU
41
23.909
29.531
9.215
1.00
24.96
A

ATOM
362
O
LEU
41
23.937
30.437
10.040
1.00
27.46
A

ATOM
363
N
HIS
42
22.769
28.975
8.822
1.00
24.89
A

ATOM
364
H
HIS
42
22.812
28.245
8.169
0.00
0.00
A

ATOM
365
CA
HIS
42
21.523
29.459
9.403
1.00
24.51
A

ATOM
366
CB
HIS
42
20.294
28.854
8.744
1.00
28.41
A

ATOM
367
CG
HIS
42
20.033
29.363
7.365
1.00
31.02
A

ATOM
368
CD2
HIS
42
20.727
30.239
6.600
1.00
29.56
A

ATOM
369
ND1
HIS
42
18.947
28.956
6.613
1.00
36.32
A

ATOM
370
CE1
HIS
42
18.991
29.569
5.440
1.00
35.41
A

ATOM
371
NE2
HIS
42
20.059
30.350
5.409
1.00
32.24
A

ATOM
372
HE2
HIS
42
20.390
30.943
4.681
0.00
0.00
A

ATOM
373
C
HIS
42
21.549
29.028
10.848
1.00
23.69
A

ATOM
374
O
HIS
42
21.398
29.846
11.739
1.00
27.63
A

ATOM
375
N
ALA
43
21.825
27.753
11.087
1.00
22.23
A

ATOM
376
H
ALA
43
22.013
27.125
10.359
0.00
0.00
A

ATOM
377
CA
ALA
43
21.855
27.262
12.448
1.00
19.62
A

ATOM
378
CB
ALA
43
22.177
25.796
12.490
1.00
18.99
A

ATOM
379
C
ALA
43
22.843
28.070
13.251
1.00
21.22
A

ATOM
380
O
ALA
43
22.501
28.552
14.319
1.00
26.43
A

ATOM
381
N
LEU
44
24.026
28.328
12.703
1.00
22.40
A

ATOM
382
H
LEU
44
24.243
27.979
11.813
0.00
0.00
A

ATOM
383
CA
LEU
44
25.027
29.114
13.438
1.00
22.69
A

ATOM
384
CB
LEU
44
26.350
29.199
12.663
1.00
16.66
A

ATOM
385
CG
LEU
44
27.404
30.156
13.232
1.00
14.73
A

ATOM
386
CD1
LEU
44
27.760
29.786
14.653
1.00
12.76
A

ATOM
387
CD2
LEU
44
28.649
30.132
12.368
1.00
12.68
A

ATOM
388
C
LEU
44
24.527
30.519
13.776
1.00
24.10
A

ATOM
389
O
LEU
44
24.678
30.982
14.907
1.00
26.06
A

ATOM
390
N
THR
45
23.917
31.182
12.798
1.00
25.51
A

ATOM
391
H
THR
45
23.784
30.766
11.921
0.00
0.00
A

ATOM
392
CA
THR
45
23.398
32.538
12.964
1.00
25.86
A

ATOM
393
CB
THR
45
22.731
33.009
11.668
1.00
24.86
A

ATOM
394
OG1
THR
45
23.692
32.962
10.604
1.00
25.33
A

ATOM
395
HG1
THR
45
24.445
33.518
10.807
0.00
0.00
A

ATOM
396
CG2
THR
45
22.184
34.423
11.814
1.00
24.66
A

ATOM
397
C
THR
45
22.402
32.642
14.121
1.00
28.14
A

ATOM
398
O
THR
45
22.522
33.519
14.980
1.00
30.79
A

ATOM
399
N
ASP
46
21.421
31.750
14.146
1.00
26.75
A

ATOM
400
H
ASP
46
21.329
31.089
13.423
0.00
0.00
A

ATOM
401
CA
ASP
46
20.434
31.743
15.205
1.00
24.52
A

ATOM
402
CB
ASP
46
19.475
30.598
14.994
1.00
26.82
A

ATOM
403
CG
ASP
46
18.305
30.970
14.149
1.00
30.17
A

ATOM
404
OD1
ASP
46
17.470
30.079
13.883
1.00
34.74
A

ATOM
405
OD2
ASP
46
18.208
32.143
13.761
1.00
30.76
A

ATOM
406
C
ASP
46
21.069
31.557
16.563
1.00
24.69
A

ATOM
407
O
ASP
46
20.557
32.044
17.559
1.00
25.32
A

ATOM
408
N
ALA
47
22.145
30.784
16.618
1.00
24.43
A

ATOM
409
H
ALA
47
22.469
30.367
15.789
0.00
0.00
A

ATOM
410
CA
ALA
47
22.808
30.536
17.882
1.00
24.93
A

ATOM
411
CB
ALA
47
23.874
29.500
17.724
1.00
26.61
A

ATOM
412
C
ALA
47
23.399
31.820
18.400
1.00
26.94
A

ATOM
413
O
ALA
47
23.284
32.113
19.587
1.00
28.62
A

ATOM
414
N
LEU
48
24.029
32.583
17.505
1.00
28.67
A

ATOM
415
H
LEU
48
24.078
32.259
16.579
0.00
0.00
A

ATOM
416
CA
LEU
48
24.651
33.870
17.852
1.00
27.90
A

ATOM
417
CB
LEU
48
25.496
34.380
16.687
1.00
25.91
A

ATOM
418
CG
LEU
48
26.744
33.557
16.351
1.00
26.67
A

ATOM
419
CD1
LEU
48
27.262
33.963
14.997
1.00
25.57
A

ATOM
420
CD2
LEU
48
27.821
33.745
17.426
1.00
23.31
A

ATOM
421
C
LEU
48
23.578
34.896
18.222
1.00
28.79
A

ATOM
422
O
LEU
48
23.641
35.511
19.284
1.00
32.12
A

ATOM
423
N
LEU
49
22.583
35.072
17.358
1.00
28.14
A

ATOM
424
H
LEU
49
22.582
34.567
16.522
0.00
0.00
A

ATOM
425
CA
LEU
49
21.487
35.993
17.643
1.00
26.15
A

ATOM
426
CB
LEU
49
20.460
35.970
16.518
1.00
24.50
A

ATOM
427
CG
LEU
49
20.932
36.598
15.215
1.00
23.51
A

ATOM
428
CD1
LEU
49
19.845
36.474
14.169
1.00
22.06
A

ATOM
429
CD2
LEU
49
21.297
38.055
15.456
1.00
20.33
A

ATOM
430
C
LEU
49
20.826
35.549
18.942
1.00
26.40
A

ATOM
431
O
LEU
49
20.511
36.373
19.785
1.00
28.17
A

ATOM
432
N
GLY
50
20.650
34.242
19.107
1.00
26.69
A

ATOM
433
H
GLY
50
20.931
33.637
18.399
0.00
0.00
A

ATOM
434
CA
GLY
50
20.048
33.700
20.313
1.00
28.15
A

ATOM
435
C
GLY
50
20.789
34.128
21.568
1.00
29.68
A

ATOM
436
O
GLY
50
20.181
34.639
22.497
1.00
33.11
A

ATOM
437
N
ALA
51
22.106
33.965
21.587
1.00
29.26
A

ATOM
438
H
ALA
51
22.542
33.541
20.817
0.00
0.00
A

ATOM
439
CA
ALA
51
22.901
34.359
22.737
1.00
28.13
A

ATOM
440
CB
ALA
51
24.307
33.854
22.588
1.00
26.67
A

ATOM
441
C
ALA
51
22.905
35.875
22.924
1.00
29.71
A

ATOM
442
O
ALA
51
23.142
36.370
24.017
1.00
32.11
A

ATOM
443
N
ALA
52
22.671
36.622
21.858
1.00
30.50
A

ATOM
444
H
ALA
52
22.536
36.190
20.987
0.00
0.00
A

ATOM
445
CA
ALA
52
22.653
38.078
21.956
1.00
30.50
A

ATOM
446
CB
ALA
52
23.080
38.696
20.638
1.00
28.66
A

ATOM
447
C
ALA
52
21.269
38.570
22.320
1.00
30.01
A

ATOM
448
O
ALA
52
21.080
39.748
22.579
1.00
34.80
A

ATOM
449
N
ALA
53
20.306
37.660
22.339
1.00
29.91
A

ATOM
450
H
ALA
53
20.523
36.727
22.124
0.00
0.00
A

ATOM
451
CA
ALA
53
18.904
37.971
22.632
1.00
28.51
A

ATOM
452
CB
ALA
53
18.760
38.647
23.976
1.00
27.64
A

ATOM
453
C
ALA
53
18.317
38.844
21.538
1.00
28.42
A

ATOM
454
O
ALA
53
17.545
39.755
21.812
1.00
31.64
A

ATOM
455
N
LEU
54
18.704
38.584
20.296
1.00
26.86
A

ATOM
456
H
LEU
54
19.336
37.854
20.138
0.00
0.00
A

ATOM
457
CA
LEU
54
18.191
39.355
19.183
1.00
24.75
A

ATOM
458
CB
LEU
54
19.329
39.848
18.288
1.00
25.73
A

ATOM
459
CG
LEU
54
20.369
40.761
18.962
1.00
24.74
A

ATOM
460
CD1
LEU
54
21.500
41.101
18.017
1.00
20.59
A

ATOM
461
CD2
LEU
54
19.698
42.018
19.421
1.00
23.57
A

ATOM
462
C
LEU
54
17.143
38.580
18.397
1.00
25.21
A

ATOM
463
O
LEU
54
16.660
39.034
17.364
1.00
27.05
A

ATOM
464
N
GLY
55
16.735
37.439
18.923
1.00
26.88
A

ATOM
465
H
GLY
55
17.102
37.093
19.768
0.00
0.00
A

ATOM
466
CA
GLY
55
15.704
36.664
18.265
1.00
29.06
A

ATOM
467
C
GLY
55
16.218
35.536
17.419
1.00
32.14
A

ATOM
468
O
GLY
55
16.748
34.554
17.948
1.00
31.73
A

ATOM
469
N
ASP
56
16.045
35.678
16.107
1.00
34.49
A

ATOM
470
H
ASP
56
15.606
36.460
15.722
0.00
0.00
A

ATOM
471
CA
ASP
56
16.468
34.675
15.145
1.00
36.60
A

ATOM
472
CB
ASP
56
15.489
33.490
15.144
1.00
36.58
A

ATOM
473
CG
ASP
56
14.094
33.861
14.653
1.00
37.68
A

ATOM
474
OD1
ASP
56
13.999
34.687
13.724
1.00
37.97
A

ATOM
475
OD2
ASP
56
13.090
33.310
15.169
1.00
37.56
A

ATOM
476
C
ASP
56
16.633
35.266
13.735
1.00
38.92
A

ATOM
477
O
ASP
56
16.233
36.405
13.469
1.00
40.18
A

ATOM
478
N
ILE
57
17.152
34.455
12.820
1.00
40.46
A

ATOM
479
H
ILE
57
17.280
33.536
13.084
0.00
0.00
A

ATOM
480
CA
ILE
57
17.418
34.860
11.447
1.00
40.58
A

ATOM
481
CB
ILE
57
18.151
33.714
10.672
1.00
37.87
A

ATOM
482
CG2
ILE
57
17.185
32.653
10.173
1.00
36.56
A

ATOM
483
CG1
ILE
57
18.925
34.277
9.499
1.00
37.95
A

ATOM
484
CD1
ILE
57
19.577
33.205
8.687
1.00
40.74
A

ATOM
485
C
ILE
57
16.165
35.347
10.716
1.00
42.57
A

ATOM
486
O
ILE
57
16.182
36.405
10.093
1.00
42.45
A

ATOM
487
N
GLY
58
15.058
34.633
10.882
1.00
44.81
A

ATOM
488
H
GLY
58
15.050
33.879
11.515
0.00
0.00
A

ATOM
489
CA
GLY
58
13.822
35.010
10.220
1.00
50.33
A

ATOM
490
C
GLY
58
13.205
36.289
10.752
1.00
54.11
A

ATOM
491
O
GLY
58
12.212
36.779
10.218
1.00
56.15
A

ATOM
492
N
LYS
59
13.736
36.790
11.855
1.00
57.85
A

ATOM
493
H
LYS
59
14.426
36.283
12.339
0.00
0.00
A

ATOM
494
CA
LYS
59
13.229
38.024
12.423
1.00
61.69
A

ATOM
495
CB
LYS
59
13.457
38.071
13.936
1.00
64.55
A

ATOM
496
CG
LYS
59
13.014
39.365
14.597
1.00
67.40
A

ATOM
497
CD
LYS
59
13.396
39.378
16.062
1.00
71.44
A

ATOM
498
CE
LYS
59
13.779
40.782
16.526
1.00
75.40
A

ATOM
499
NZ
LYS
59
14.401
40.784
17.891
1.00
78.67
A

ATOM
500
HZ1
LYS
59
14.668
41.742
18.185
0.00
0.00
A

ATOM
501
HZ2
LYS
59
15.249
40.170
17.860
0.00
0.00
A

ATOM
502
HZ3
LYS
59
13.715
40.392
18.565
0.00
0.00
A

ATOM
503
C
LYS
59
13.985
39.146
11.747
1.00
62.99
A

ATOM
504
O
LYS
59
13.380
40.061
11.210
1.00
65.98
A

ATOM
505
N
LEU
60
15.309
39.058
11.749
1.00
63.24
A

ATOM
506
H
LEU
60
15.724
38.273
12.166
0.00
0.00
A

ATOM
507
CA
LEU
60
16.133
40.082
11.120
1.00
64.25
A

ATOM
508
CB
LEU
60
17.598
39.892
11.495
1.00
62.01
A

ATOM
509
CG
LEU
60
18.060
40.343
12.873
1.00
60.09
A

ATOM
510
CD1
LEU
60
17.318
39.592
13.967
1.00
57.96
A

ATOM
511
CD2
LEU
60
19.562
40.113
12.955
1.00
59.64
A

ATOM
512
C
LEU
60
16.016
40.129
9.592
1.00
66.25
A

ATOM
513
O
LEU
60
15.972
41.211
9.005
1.00
67.84
A

ATOM
514
N
PHE
61
16.000
38.963
8.952
1.00
67.62
A

ATOM
515
H
PHE
61
16.024
38.131
9.459
0.00
0.00
A

ATOM
516
CA
PHE
61
15.920
38.890
7.500
1.00
69.09
A

ATOM
517
CB
PHE
61
17.234
38.341
6.923
1.00
67.05
A

ATOM
518
CG
PHE
61
18.454
38.726
7.710
1.00
64.58
A

ATOM
519
CD1
PHE
61
18.883
40.041
7.756
1.00
63.51
A

ATOM
520
CD2
PHE
61
19.144
37.772
8.449
1.00
65.04
A

ATOM
521
CE1
PHE
61
19.977
40.403
8.533
1.00
64.54
A

ATOM
522
CE2
PHE
61
20.241
38.123
9.231
1.00
65.04
A

ATOM
523
CZ
PHE
61
20.658
39.442
9.275
1.00
64.92
A

ATOM
524
C
PHE
61
14.761
37.991
7.077
1.00
73.13
A

ATOM
525
O
PHE
61
14.954
36.808
6.803
1.00
73.94
A

ATOM
526
N
PRO
62
13.545
38.553
6.987
1.00
76.93
A

ATOM
527
CD
PRO
62
13.254
39.962
7.302
1.00
78.61
A

ATOM
528
CA
PRO
62
12.313
37.860
6.601
1.00
80.94
A

ATOM
529
CB
PRO
62
11.360
39.012
6.312
1.00
78.76
A

ATOM
530
CG
PRO
62
11.733
39.980
7.360
1.00
78.88
A

ATOM
531
C
PRO
62
12.389
36.898
5.417
1.00
85.73
A

ATOM
532
O
PRO
62
12.815
37.256
4.313
1.00
85.79
A

ATOM
533
N
ASP
63
11.891
35.690
5.662
1.00
90.76
A

ATOM
534
H
ASP
63
11.573
35.490
6.564
0.00
0.00
A

ATOM
535
CA
ASP
63
11.839
34.617
4.671
1.00
94.44
A

ATOM
536
CB
ASP
63
11.105
33.414
5.292
1.00
94.82
A

ATOM
537
CG
ASP
63
11.585
32.074
4.749
1.00
94.81
A

ATOM
538
OD1
ASP
63
12.810
31.886
4.583
1.00
95.75
A

ATOM
539
OD2
ASP
63
10.733
31.191
4.518
1.00
94.23
A

ATOM
540
C
ASP
63
11.080
35.118
3.431
1.00
96.02
A

ATOM
541
O
ASP
63
11.437
34.811
2.288
1.00
96.14
A

ATOM
542
N
THR
64
10.069
35.948
3.677
1.00
97.90
A

ATOM
543
H
THR
64
9.857
36.179
4.600
0.00
0.00
A

ATOM
544
CA
THR
64
9.227
36.510
2.623
1.00
99.75
A

ATOM
545
CB
THR
64
7.839
36.890
3.180
1.00
100.00
A

ATOM
546
OG1
THR
64
7.999
37.727
4.338
1.00
100.00
A

ATOM
547
HG1
THR
64
8.175
38.629
4.046
0.00
0.00
A

ATOM
548
CG2
THR
64
7.050
35.633
3.554
1.00
100.00
A

ATOM
549
C
THR
64
9.799
37.716
1.868
1.00
99.98
A

ATOM
550
O
THR
64
9.396
37.976
0.730
1.00
100.00
A

ATOM
551
N
ASP
65
10.693
38.471
2.506
1.00
99.66
A

ATOM
552
H
ASP
65
11.009
38.234
3.398
0.00
0.00
A

ATOM
553
CA
ASP
65
11.294
39.632
1.856
1.00
99.22
A

ATOM
554
CB
ASP
65
12.192
40.387
2.838
1.00
98.59
A

ATOM
555
CG
ASP
65
12.582
41.774
2.343
1.00
98.43
A

ATOM
556
OD1
ASP
65
13.186
41.885
1.252
1.00
98.79
A

ATOM
557
OD2
ASP
65
12.299
42.757
3.060
1.00
97.43
A

ATOM
558
C
ASP
65
12.095
39.097
0.660
1.00
99.82
A

ATOM
559
O
ASP
65
13.013
38.271
0.823
1.00
99.02
A

ATOM
560
N
PRO
66
11.716
39.521
−0.567
1.00
100.00
A

ATOM
561
CD
PRO
66
10.638
40.509
−0.785
1.00
100.00
A

ATOM
562
CA
PRO
66
12.327
39.136
−1.850
1.00
100.00
A

ATOM
563
CB
PRO
66
11.464
39.879
−2.879
1.00
100.00
A

ATOM
564
CG
PRO
66
11.002
41.098
−2.129
1.00
100.00
A

ATOM
565
C
PRO
66
13.828
39.405
−2.053
1.00
100.00
A

ATOM
566
O
PRO
66
14.459
38.752
−2.893
1.00
100.00
A

ATOM
567
N
ALA
67
14.401
40.339
−1.292
1.00
99.87
A

ATOM
568
H
ALA
67
13.867
40.834
−0.622
0.00
0.00
A

ATOM
569
CA
ALA
67
15.830
40.661
−1.409
1.00
99.67
A

ATOM
570
CB
ALA
67
16.143
41.932
−0.620
1.00
99.96
A

ATOM
571
C
ALA
67
16.731
39.498
−0.941
1.00
98.83
A

ATOM
572
O
ALA
67
17.858
39.310
−1.429
1.00
98.18
A

ATOM
573
N
PHE
68
16.212
38.711
−0.004
1.00
96.83
A

ATOM
574
H
PHE
68
15.318
38.924
0.345
0.00
0.00
A

ATOM
575
CA
PHE
68
16.936
37.572
0.536
1.00
94.17
A

ATOM
576
CB
PHE
68
16.424
37.248
1.935
1.00
93.68
A

ATOM
577
CG
PHE
68
16.255
38.449
2.796
1.00
92.75
A

ATOM
578
CD1
PHE
68
15.087
38.642
3.509
1.00
92.82
A

ATOM
579
CD2
PHE
68
17.256
39.411
2.870
1.00
92.49
A

ATOM
580
CE1
PHE
68
14.912
39.784
4.289
1.00
93.37
A

ATOM
581
CE2
PHE
68
17.091
40.557
3.646
1.00
93.07
A

ATOM
582
CZ
PHE
68
15.914
40.744
4.358
1.00
92.90
A

ATOM
583
C
PHE
68
16.778
36.354
−0.359
1.00
92.77
A

ATOM
584
O
PHE
68
17.168
35.247
0.019
1.00
92.99
A

ATOM
585
N
LYS
69
16.170
36.541
−1.524
1.00
90.94
A

ATOM
586
H
LYS
69
15.902
37.432
−1.832
0.00
0.00
A

ATOM
587
CA
LYS
69
15.979
35.438
−2.445
1.00
89.95
A

ATOM
588
CB
LYS
69
14.896
35.762
−3.469
1.00
92.31
A

ATOM
589
CG
LYS
69
14.495
34.562
−4.301
1.00
95.88
A

ATOM
590
CD
LYS
69
14.257
34.956
−5.748
1.00
99.53
A

ATOM
591
CE
LYS
69
14.335
33.738
−6.666
1.00
100.00
A

ATOM
592
NZ
LYS
69
14.309
34.114
−8.111
1.00
100.00
A

ATOM
593
HZ1
LYS
69
14.382
33.251
−8.687
0.00
0.00
A

ATOM
594
HZ2
LYS
69
15.104
34.750
−8.317
0.00
0.00
A

ATOM
595
HZ3
LYS
69
13.408
34.593
−8.315
0.00
0.00
A

ATOM
596
C
LYS
69
17.306
35.129
−3.140
1.00
88.12
A

ATOM
597
O
LYS
69
17.767
35.883
−4.006
1.00
88.21
A

ATOM
598
N
GLY
70
17.916
34.024
−2.718
1.00
85.08
A

ATOM
599
H
GLY
70
17.533
33.522
−1.989
0.00
0.00
A

ATOM
600
CA
GLY
70
19.190
33.584
−3.254
1.00
79.78
A

ATOM
601
C
GLY
70
20.317
34.159
−2.419
1.00
76.22
A

ATOM
602
O
GLY
70
21.492
33.883
−2.682
1.00
76.33
A

ATOM
603
N
ALA
71
19.949
34.916
−1.380
1.00
72.78
A

ATOM
604
H
ALA
71
18.997
35.025
−1.198
0.00
0.00
A

ATOM
605
CA
ALA
71
20.909
35.577
−0.488
1.00
69.50
A

ATOM
606
CB
ALA
71
20.182
36.318
0.648
1.00
67.54
A

ATOM
607
C
ALA
71
22.010
34.676
0.079
1.00
66.00
A

ATOM
608
O
ALA
71
21.754
33.572
0.574
1.00
69.09
A

ATOM
609
N
ASP
72
23.237
35.175
−0.015
1.00
58.89
A

ATOM
610
H
ASP
72
23.377
36.064
−0.403
0.00
0.00
A

ATOM
611
CA
ASP
72
24.425
34.499
0.467
1.00
50.29
A

ATOM
612
CB
ASP
72
25.624
35.328
−0.004
1.00
49.48
A

ATOM
613
CG
ASP
72
26.937
34.867
0.559
1.00
51.87
A

ATOM
614
OD1
ASP
72
27.069
34.752
1.787
1.00
58.78
A

ATOM
615
OD2
ASP
72
27.891
34.698
−0.220
1.00
52.96
A

ATOM
616
C
ASP
72
24.294
34.448
1.997
1.00
46.29
A

ATOM
617
O
ASP
72
24.260
35.483
2.662
1.00
46.35
A

ATOM
618
N
SER
73
24.162
33.249
2.552
1.00
40.41
A

ATOM
619
H
SER
73
24.166
32.449
1.974
0.00
0.00
A

ATOM
620
CA
SER
73
24.021
33.107
3.988
1.00
36.55
A

ATOM
621
CB
SER
73
23.797
31.656
4.374
1.00
37.80
A

ATOM
622
OG
SER
73
22.470
31.246
4.085
1.00
39.02
A

ATOM
623
HG
SER
73
22.733
30.451
3.595
0.00
0.00
A

ATOM
624
C
SER
73
25.164
33.687
4.799
1.00
35.32
A

ATOM
625
O
SER
73
25.001
33.946
5.994
1.00
37.10
A

ATOM
626
N
ARG
74
26.329
33.854
4.186
1.00
32.72
A

ATOM
627
H
ARG
74
26.433
33.582
3.246
0.00
0.00
A

ATOM
628
CA
ARG
74
27.452
34.442
4.896
1.00
32.85
A

ATOM
629
CB
ARG
74
28.768
34.262
4.157
1.00
30.87
A

ATOM
630
CG
ARG
74
29.291
32.853
4.140
1.00
31.13
A

ATOM
631
CD
ARG
74
30.595
32.794
3.374
1.00
33.89
A

ATOM
632
NE
ARG
74
31.667
33.487
4.083
1.00
38.69
A

ATOM
633
HE
ARG
74
31.461
33.811
4.980
0.00
0.00
A

ATOM
634
CZ
ARG
74
32.892
33.690
3.606
1.00
39.76
A

ATOM
635
NH1
ARG
74
33.793
34.322
4.348
1.00
43.59
A

ATOM
636
HH11
ARG
74
33.521
34.627
5.278
0.00
0.00
A

ATOM
637
HH12
ARG
74
34.763
34.523
4.121
0.00
0.00
A

ATOM
638
NH2
ARG
74
33.215
33.284
2.387
1.00
38.65
A

ATOM
639
HH21
ARG
74
32.543
32.815
1.805
0.00
0.00
A

ATOM
640
HH22
ARG
74
34.144
33.422
2.032
0.00
0.00
A

ATOM
641
C
ARG
74
27.150
35.910
5.018
1.00
35.25
A

ATOM
642
O
ARG
74
27.612
36.563
5.944
1.00
37.83
A

ATOM
643
N
GLU
75
26.396
36.449
4.068
1.00
38.00
A

ATOM
644
H
GLU
75
26.107
35.914
3.289
0.00
0.00
A

ATOM
645
CA
GLU
75
26.025
37.855
4.137
1.00
41.91
A

ATOM
646
CB
GLU
75
25.272
38.298
2.900
1.00
47.23
A

ATOM
647
CG
GLU
75
26.137
38.858
1.805
1.00
57.23
A

ATOM
648
CD
GLU
75
25.298
39.591
0.772
1.00
64.29
A

ATOM
649
OE1
GLU
75
25.021
40.792
0.997
1.00
67.70
A

ATOM
650
OE2
GLU
75
24.890
38.965
−0.239
1.00
67.50
A

ATOM
651
C
GLU
75
25.140
38.052
5.352
1.00
40.94
A

ATOM
652
O
GLU
75
25.371
38.949
6.155
1.00
43.39
A

ATOM
653
N
LEU
76
24.134
37.202
5.501
1.00
38.04
A

ATOM
654
H
LEU
76
24.001
36.521
4.806
0.00
0.00
A

ATOM
655
CA
LEU
76
23.254
37.302
6.650
1.00
35.70
A

ATOM
656
CB
LEU
76
22.138
36.271
6.568
1.00
39.63
A

ATOM
657
CG
LEU
76
21.312
36.292
5.282
1.00
42.54
A

ATOM
658
CD1
LEU
76
20.119
35.376
5.446
1.00
44.33
A

ATOM
659
CD2
LEU
76
20.837
37.701
4.985
1.00
45.69
A

ATOM
660
C
LEU
76
24.059
37.080
7.916
1.00
33.52
A

ATOM
661
O
LEU
76
23.874
37.784
8.898
1.00
34.49
A

ATOM
662
N
LEU
77
24.965
36.111
7.894
1.00
31.57
A

ATOM
663
H
LEU
77
25.086
35.561
7.093
0.00
0.00
A

ATOM
664
CA
LEU
77
25.777
35.842
9.067
1.00
30.39
A

ATOM
665
CB
LEU
77
26.742
34.685
8.816
1.00
28.75
A

ATOM
666
CG
LEU
77
27.762
34.433
9.937
1.00
28.05
A

ATOM
667
CD1
LEU
77
27.044
34.201
11.255
1.00
25.52
A

ATOM
668
CD2
LEU
77
28.659
33.258
9.589
1.00
22.53
A

ATOM
669
C
LEU
77
26.556
37.075
9.496
1.00
31.14
A

ATOM
670
O
LEU
77
26.525
37.455
10.662
1.00
32.46
A

ATOM
671
N
ARG
78
27.223
37.722
8.549
1.00
32.65
A

ATOM
672
H
ARG
78
27.191
37.393
7.628
0.00
0.00
A

ATOM
673
CA
ARG
78
28.021
38.900
8.866
1.00
34.44
A

ATOM
674
CB
ARG
78
28.841
39.339
7.657
1.00
34.46
A

ATOM
675
CG
ARG
78
29.878
38.331
7.209
1.00
37.09
A

ATOM
676
CD
ARG
78
30.672
38.838
6.015
1.00
40.02
A

ATOM
677
NE
ARG
78
30.774
37.832
4.958
1.00
48.15
A

ATOM
678
HE
ARG
78
31.366
37.072
5.199
0.00
0.00
A

ATOM
679
CZ
ARG
78
30.091
37.883
3.815
1.00
51.62
A

ATOM
680
NH1
ARG
78
30.229
36.923
2.897
1.00
54.51
A

ATOM
681
HH11
ARG
78
30.817
36.139
3.091
0.00
0.00
A

ATOM
682
HH12
ARG
78
29.703
36.895
2.035
0.00
0.00
A

ATOM
683
NH2
ARG
78
29.263
38.903
3.589
1.00
53.87
A

ATOM
684
HH21
ARG
78
29.151
39.621
4.281
0.00
0.00
A

ATOM
685
HH22
ARG
78
28.696
38.979
2.758
0.00
0.00
A

ATOM
686
C
ARG
78
27.213
40.068
9.426
1.00
35.38
A

ATOM
687
O
ARG
78
27.694
40.779
10.304
1.00
37.61
A

ATOM
688
N
GLU
79
25.992
40.256
8.928
1.00
35.23
A

ATOM
689
H
GLU
79
25.671
39.668
8.212
0.00
0.00
A

ATOM
690
CA
GLU
79
25.115
41.323
9.397
1.00
36.05
A

ATOM
691
CB
GLU
79
23.888
41.457
8.492
1.00
37.93
A

ATOM
692
CG
GLU
79
22.874
42.523
8.922
1.00
43.20
A

ATOM
693
CD
GLU
79
23.438
43.957
8.978
1.00
49.20
A

ATOM
694
OE1
GLU
79
24.641
44.191
8.707
1.00
52.30
A

ATOM
695
OE2
GLU
79
22.657
44.874
9.305
1.00
50.39
A

ATOM
696
C
GLU
79
24.666
41.023
10.818
1.00
38.06
A

ATOM
697
O
GLU
79
24.827
41.850
11.716
1.00
40.86
A

ATOM
698
N
ALA
80
24.101
39.837
11.021
1.00
37.90
A

ATOM
699
H
ALA
80
23.991
39.234
10.255
0.00
0.00
A

ATOM
700
CA
ALA
80
23.653
39.421
12.335
1.00
35.54
A

ATOM
701
CB
ALA
80
23.245
37.981
12.306
1.00
36.59
A

ATOM
702
C
ALA
80
24.800
39.616
13.308
1.00
36.02
A

ATOM
703
O
ALA
80
24.589
40.058
14.433
1.00
37.90
A

ATOM
704
N
TRP
81
26.021
39.335
12.857
1.00
34.84
A

ATOM
705
H
TRP
81
26.136
38.989
11.946
0.00
0.00
A

ATOM
706
CA
TRP
81
27.202
39.501
13.702
1.00
34.08
A

ATOM
707
CB
TRP
81
28.410
38.781
13.096
1.00
28.57
A

ATOM
708
CG
TRP
81
29.659
38.869
13.918
1.00
25.44
A

ATOM
709
CD2
TRP
81
29.830
38.498
15.301
1.00
24.78
A

ATOM
710
CE2
TRP
81
31.162
38.794
15.648
1.00
23.97
A

ATOM
711
CE3
TRP
81
28.988
37.948
16.275
1.00
25.49
A

ATOM
712
CD1
TRP
81
30.855
39.346
13.506
1.00
26.77
A

ATOM
713
NE1
TRP
81
31.765
39.309
14.536
1.00
27.33
A

ATOM
714
HE1
TRP
81
32.716
39.564
14.484
0.00
0.00
A

ATOM
715
CZ2
TRP
81
31.675
38.563
16.924
1.00
22.40
A

ATOM
716
CZ3
TRP
81
29.498
37.717
17.544
1.00
23.10
A

ATOM
717
CH2
TRP
81
30.830
38.025
17.855
1.00
23.72
A

ATOM
718
C
TRP
81
27.513
40.981
13.943
1.00
37.02
A

ATOM
719
O
TRP
81
27.911
41.367
15.041
1.00
37.25
A

ATOM
720
N
ARG
82
27.320
41.814
12.926
1.00
39.86
A

ATOM
721
H
ARG
82
27.011
41.462
12.064
0.00
0.00
A

ATOM
722
CA
ARG
82
27.571
43.242
13.065
1.00
41.81
A

ATOM
723
CB
ARG
82
27.288
43.978
11.760
1.00
44.88
A

ATOM
724
CG
ARG
82
27.469
45.492
11.862
1.00
51.33
A

ATOM
725
CD
ARG
82
26.946
46.249
10.625
1.00
55.23
A

ATOM
726
NE
ARG
82
25.485
46.234
10.481
1.00
56.62
A

ATOM
727
HE
ARG
82
25.149
45.720
9.704
0.00
0.00
A

ATOM
728
CZ
ARG
82
24.636
46.835
11.309
1.00
57.16
A

ATOM
729
NH1
ARG
82
23.333
46.763
11.082
1.00
58.31
A

ATOM
730
HH11
ARG
82
23.054
46.251
10.259
0.00
0.00
A

ATOM
731
HH12
ARG
82
22.619
47.176
11.639
0.00
0.00
A

ATOM
732
NH2
ARG
82
25.089
47.494
12.371
1.00
58.27
A

ATOM
733
HH21
ARG
82
26.076
47.534
12.546
0.00
0.00
A

ATOM
734
HH22
ARG
82
24.487
47.959
13.020
0.00
0.00
A

ATOM
735
C
ARG
82
26.634
43.770
14.130
1.00
43.13
A

ATOM
736
O
ARG
82
27.050
44.464
15.060
1.00
44.01
A

ATOM
737
N
ARG
83
25.364
43.422
13.988
1.00
43.63
A

ATOM
738
H
ARG
83
25.125
42.843
13.239
0.00
0.00
A

ATOM
739
CA
ARG
83
24.345
43.853
14.923
1.00
45.45
A

ATOM
740
CB
ARG
83
22.979
43.373
14.459
1.00
46.37
A

ATOM
741
CG
ARG
83
22.706
43.775
13.048
1.00
52.37
A

ATOM
742
CD
ARG
83
21.240
43.723
12.718
1.00
60.02
A

ATOM
743
NE
ARG
83
21.063
44.018
11.303
1.00
66.19
A

ATOM
744
HE
ARG
83
21.906
44.111
10.818
0.00
0.00
A

ATOM
745
CZ
ARG
83
19.895
44.084
10.671
1.00
69.32
A

ATOM
746
NH1
ARG
83
19.870
44.358
9.368
1.00
72.83
A

ATOM
747
HH11
ARG
83
20.769
44.495
8.908
0.00
0.00
A

ATOM
748
HH12
ARG
83
19.046
44.414
8.805
0.00
0.00
A

ATOM
749
NH2
ARG
83
18.761
43.870
11.334
1.00
72.50
A

ATOM
750
HH21
ARG
83
18.789
43.652
12.313
0.00
0.00
A

ATOM
751
HH22
ARG
83
17.859
43.892
10.894
0.00
0.00
A

ATOM
752
C
ARG
83
24.636
43.347
16.325
1.00
46.09
A

ATOM
753
O
ARG
83
24.457
44.079
17.310
1.00
48.29
A

ATOM
754
N
ILE
84
25.114
42.110
16.414
1.00
43.31
A

ATOM
755
H
ILE
84
25.236
41.576
15.602
0.00
0.00
A

ATOM
756
CA
ILE
84
25.425
41.522
17.702
1.00
41.01
A

ATOM
757
CB
ILE
84
25.775
40.028
17.554
1.00
41.01
A

ATOM
758
CG2
ILE
84
26.346
39.478
18.852
1.00
39.70
A

ATOM
759
CG1
ILE
84
24.530
39.242
17.135
1.00
37.86
A

ATOM
760
CD1
ILE
84
24.825
37.844
16.710
1.00
35.45
A

ATOM
761
C
ILE
84
26.560
42.277
18.376
1.00
41.06
A

ATOM
762
O
ILE
84
26.479
42.606
19.554
1.00
41.58
A

ATOM
763
N
GLN
85
27.600
42.591
17.619
1.00
41.70
A

ATOM
764
H
GLN
85
27.599
42.334
16.675
0.00
0.00
A

ATOM
765
CA
GLN
85
28.739
43.305
18.176
1.00
44.62
A

ATOM
766
CB
GLN
85
29.852
43.428
17.146
1.00
46.34
A

ATOM
767
CG
GLN
85
30.418
42.104
16.693
1.00
51.43
A

ATOM
768
CD
GLN
85
31.683
42.268
15.880
1.00
54.36
A

ATOM
769
OE1
GLN
85
32.789
42.110
16.397
1.00
57.50
A

ATOM
770
NE2
GLN
85
31.530
42.587
14.599
1.00
56.44
A

ATOM
771
HE21
GLN
85
30.623
42.693
14.249
0.00
0.00
A

ATOM
772
HE22
GLN
85
32.349
42.692
14.078
0.00
0.00
A

ATOM
773
C
GLN
85
28.338
44.687
18.651
1.00
45.56
A

ATOM
774
O
GLN
85
28.828
45.167
19.675
1.00
46.65
A

ATOM
775
N
ALA
86
27.461
45.327
17.885
1.00
45.95
A

ATOM
776
H
ALA
86
27.146
44.889
17.066
0.00
0.00
A

ATOM
777
CA
ALA
86
26.965
46.658
18.207
1.00
45.73
A

ATOM
778
CB
ALA
86
26.020
47.146
17.136
1.00
46.24
A

ATOM
779
C
ALA
86
26.253
46.628
19.538
1.00
46.82
A

ATOM
780
O
ALA
86
26.351
47.575
20.303
1.00
50.37
A

ATOM
781
N
LYS
87
25.534
45.541
19.818
1.00
47.14
A

ATOM
782
H
LYS
87
25.465
44.820
19.156
0.00
0.00
A

ATOM
783
CA
LYS
87
24.830
45.409
21.091
1.00
45.26
A

ATOM
784
CB
LYS
87
23.826
44.247
21.043
1.00
46.60
A

ATOM
785
CG
LYS
87
22.704
44.342
22.089
1.00
51.56
A

ATOM
786
CD
LYS
87
21.957
43.004
22.311
1.00
53.53
A

ATOM
787
CE
LYS
87
20.940
43.086
23.475
1.00
54.41
A

ATOM
788
NZ
LYS
87
20.820
41.817
24.280
1.00
52.49
A

ATOM
789
HZ1
LYS
87
20.144
41.923
25.083
0.00
0.00
A

ATOM
790
HZ2
LYS
87
21.737
41.574
24.700
0.00
0.00
A

ATOM
791
HZ3
LYS
87
20.526
41.020
23.682
0.00
0.00
A

ATOM
792
C
LYS
87
25.865
45.210
22.220
1.00
44.28
A

ATOM
793
O
LYS
87
25.503
45.017
23.380
1.00
44.29
A

ATOM
794
N
GLY
88
27.149
45.231
21.861
1.00
42.24
A

ATOM
795
H
GLY
88
27.420
45.316
20.936
0.00
0.00
A

ATOM
796
CA
GLY
88
28.214
45.100
22.832
1.00
41.90
A

ATOM
797
C
GLY
88
28.833
43.734
23.059
1.00
44.70
A

ATOM
798
O
GLY
88
29.646
43.574
23.972
1.00
47.95
A

ATOM
799
N
TYR
89
28.523
42.750
22.224
1.00
44.81
A

ATOM
800
H
TYR
89
27.952
42.926
21.450
0.00
0.00
A

ATOM
801
CA
TYR
89
29.079
41.418
22.442
1.00
41.14
A

ATOM
802
CB
TYR
89
28.023
40.353
22.151
1.00
39.42
A

ATOM
803
CG
TYR
89
26.771
40.490
22.978
1.00
37.02
A

ATOM
804
CD1
TYR
89
25.698
41.242
22.516
1.00
37.68
A

ATOM
805
CE1
TYR
89
24.520
41.335
23.242
1.00
39.43
A

ATOM
806
CD2
TYR
89
26.639
39.836
24.202
1.00
34.82
A

ATOM
807
CE2
TYR
89
25.464
39.924
24.943
1.00
36.55
A

ATOM
808
CZ
TYR
89
24.402
40.674
24.451
1.00
40.43
A

ATOM
809
OH
TYR
89
23.205
40.763
25.140
1.00
44.43
A

ATOM
810
HH
TYR
89
23.317
40.299
25.977
0.00
0.00
A

ATOM
811
C
TYR
89
30.343
41.116
21.653
1.00
40.19
A

ATOM
812
O
TYR
89
30.662
41.801
20.686
1.00
40.57
A

ATOM
813
N
THR
90
31.081
40.113
22.118
1.00
39.81
A

ATOM
814
H
THR
90
30.797
39.650
22.935
0.00
0.00
A

ATOM
815
CA
THR
90
32.303
39.646
21.472
1.00
40.28
A

ATOM
816
CB
THR
90
33.575
40.028
22.253
1.00
40.25
A

ATOM
817
OG1
THR
90
33.448
39.634
23.623
1.00
44.55
A

ATOM
818
HG1
THR
90
32.759
40.181
24.018
0.00
0.00
A

ATOM
819
CG2
THR
90
33.794
41.500
22.195
1.00
40.88
A

ATOM
820
C
THR
90
32.173
38.135
21.446
1.00
38.82
A

ATOM
821
O
THR
90
31.545
37.557
22.333
1.00
39.78
A

ATOM
822
N
LEU
91
32.759
37.498
20.443
1.00
36.74
A

ATOM
823
H
LEU
91
33.280
37.999
19.785
0.00
0.00
A

ATOM
824
CA
LEU
91
32.665
36.049
20.311
1.00
35.28
A

ATOM
825
CB
LEU
91
33.105
35.620
18.917
1.00
29.08
A

ATOM
826
CG
LEU
91
32.733
34.201
18.528
1.00
25.21
A

ATOM
827
CD1
LEU
91
31.266
34.188
18.173
1.00
27.56
A

ATOM
828
CD2
LEU
91
33.541
33.763
17.346
1.00
23.92
A

ATOM
829
C
LEU
91
33.467
35.257
21.340
1.00
37.01
A

ATOM
830
O
LEU
91
34.619
35.578
21.620
1.00
40.47
A

ATOM
831
N
GLY
92
32.836
34.238
21.915
1.00
37.24
A

ATOM
832
H
GLY
92
31.901
34.081
21.688
0.00
0.00
A

ATOM
833
CA
GLY
92
33.504
33.369
22.867
1.00
34.94
A

ATOM
834
C
GLY
92
33.987
32.243
21.979
1.00
34.60
A

ATOM
835
O
GLY
92
35.179
32.068
21.775
1.00
38.02
A

ATOM
836
N
ASN
93
33.039
31.511
21.407
1.00
32.07
A

ATOM
837
H
ASN
93
32.098
31.713
21.597
0.00
0.00
A

ATOM
838
CA
ASN
93
33.326
30.424
20.482
1.00
26.94
A

ATOM
839
CB
ASN
93
34.199
29.357
21.108
1.00
27.02
A

ATOM
840
CG
ASN
93
33.450
28.492
22.078
1.00
29.80
A

ATOM
841
OD1
ASN
93
33.345
27.286
21.888
1.00
28.34
A

ATOM
842
ND2
ASN
93
32.945
29.098
23.144
1.00
33.69
A

ATOM
843
HD21
ASN
93
33.112
30.057
23.247
0.00
0.00
A

ATOM
844
HD22
ASN
93
32.424
28.566
23.771
0.00
0.00
A

ATOM
845
C
ASN
93
32.022
29.808
20.034
1.00
25.91
A

ATOM
846
O
ASN
93
30.979
29.998
20.669
1.00
23.90
A

ATOM
847
N
VAL
94
32.081
29.102
18.917
1.00
25.02
A

ATOM
848
H
VAL
94
32.941
28.985
18.452
0.00
0.00
A

ATOM
849
CA
VAL
94
30.917
28.447
18.356
1.00
24.27
A

ATOM
850
CB
VAL
94
30.448
29.163
17.071
1.00
23.55
A

ATOM
851
CG1
VAL
94
30.331
30.654
17.322
1.00
22.32
A

ATOM
852
CG2
VAL
94
31.406
28.903
15.943
1.00
21.89
A

ATOM
853
C
VAL
94
31.265
26.997
18.031
1.00
24.45
A

ATOM
854
O
VAL
94
32.449
26.645
17.868
1.00
27.29
A

ATOM
855
N
ASP
95
30.240
26.154
18.013
1.00
23.44
A

ATOM
856
H
ASP
95
29.338
26.473
18.231
0.00
0.00
A

ATOM
857
CA
ASP
95
30.392
24.745
17.688
1.00
21.25
A

ATOM
858
CB
ASP
95
30.422
23.884
18.939
1.00
23.01
A

ATOM
859
CG
ASP
95
30.791
22.452
18.639
1.00
26.62
A

ATOM
860
OD1
ASP
95
30.651
21.578
19.506
1.00
29.80
A

ATOM
861
OD2
ASP
95
31.223
22.167
17.513
1.00
32.05
A

ATOM
862
C
ASP
95
29.179
24.382
16.863
1.00
22.63
A

ATOM
863
O
ASP
95
28.036
24.684
17.259
1.00
25.02
A

ATOM
864
N
VAL
96
29.430
23.797
15.694
1.00
19.17
A

ATOM
865
H
VAL
96
30.368
23.615
15.474
0.00
0.00
A

ATOM
866
CA
VAL
96
28.375
23.395
14.769
1.00
17.05
A

ATOM
867
CB
VAL
96
28.592
24.083
13.407
1.00
15.66
A

ATOM
868
CG1
VAL
96
27.452
23.799
12.455
1.00
14.07
A

ATOM
869
CG2
VAL
96
28.738
25.563
13.606
1.00
12.94
A

ATOM
870
C
VAL
96
28.339
21.859
14.598
1.00
18.22
A

ATOM
871
O
VAL
96
29.372
21.181
14.637
1.00
20.48
A

ATOM
872
N
THR
97
27.151
21.299
14.459
1.00
17.29
A

ATOM
873
H
THR
97
26.346
21.854
14.443
0.00
0.00
A

ATOM
874
CA
THR
97
27.014
19.872
14.283
1.00
19.85
A

ATOM
875
CB
THR
97
26.326
19.235
15.476
1.00
19.40
A

ATOM
876
OG1
THR
97
27.101
19.467
16.656
1.00
25.91
A

ATOM
877
HG1
THR
97
27.890
18.953
16.453
0.00
0.00
A

ATOM
878
CG2
THR
97
26.193
17.751
15.264
1.00
17.54
A

ATOM
879
C
THR
97
26.105
19.693
13.097
1.00
23.19
A

ATOM
880
O
THR
97
24.924
20.017
13.192
1.00
28.25
A

ATOM
881
N
ILE
98
26.659
19.260
11.969
1.00
22.00
A

ATOM
882
H
ILE
98
27.616
19.070
11.946
0.00
0.00
A

ATOM
883
CA
ILE
98
25.885
19.032
10.753
1.00
20.74
A

ATOM
884
CB
ILE
98
26.765
19.161
9.514
1.00
21.16
A

ATOM
885
CG2
ILE
98
25.971
18.822
8.266
1.00
17.85
A

ATOM
886
CG1
ILE
98
27.372
20.563
9.462
1.00
20.63
A

ATOM
887
CD1
ILE
98
28.524
20.693
8.513
1.00
21.51
A

ATOM
888
C
ILE
98
25.366
17.612
10.820
1.00
22.10
A

ATOM
889
O
ILE
98
26.138
16.671
11.029
1.00
26.94
A

ATOM
890
N
ILE
99
24.062
17.451
10.684
1.00
20.82
A

ATOM
891
H
ILE
99
23.482
18.216
10.495
0.00
0.00
A

ATOM
892
CA
ILE
99
23.460
16.130
10.752
1.00
21.43
A

ATOM
893
CB
ILE
99
22.244
16.135
11.687
1.00
17.80
A

ATOM
894
CG2
ILE
99
21.659
14.770
11.782
1.00
14.32
A

ATOM
895
CG1
ILE
99
22.677
16.586
13.076
1.00
18.10
A

ATOM
896
CD1
ILE
99
21.577
17.117
13.907
1.00
15.38
A

ATOM
897
C
ILE
99
23.039
15.784
9.340
1.00
23.75
A

ATOM
898
O
ILE
99
22.059
16.316
8.841
1.00
26.97
A

ATOM
899
N
ALA
100
23.814
14.938
8.676
1.00
24.64
A

ATOM
900
H
ALA
100
24.611
14.553
9.104
0.00
0.00
A

ATOM
901
CA
ALA
100
23.513
14.548
7.310
1.00
26.07
A

ATOM
902
CB
ALA
100
24.136
15.531
6.343
1.00
25.49
A

ATOM
903
C
ALA
100
24.065
13.159
7.064
1.00
29.22
A

ATOM
904
O
ALA
100
25.136
12.819
7.573
1.00
30.46
A

ATOM
905
N
GLN
101
23.305
12.343
6.334
1.00
29.41
A

ATOM
906
H
GLN
101
22.448
12.686
6.001
0.00
0.00
A

ATOM
907
CA
GLN
101
23.718
10.977
6.003
1.00
29.10
A

ATOM
908
CB
GLN
101
22.516
10.180
5.486
1.00
31.28
A

ATOM
909
CG
GLN
101
22.748
8.697
5.291
1.00
30.93
A

ATOM
910
CD
GLN
101
22.941
7.981
6.592
1.00
32.69
A

ATOM
911
OE1
GLN
101
23.689
7.010
6.677
1.00
38.81
A

ATOM
912
NE2
GLN
101
22.265
8.452
7.627
1.00
33.76
A

ATOM
913
HE21
GLN
101
21.629
9.188
7.509
0.00
0.00
A

ATOM
914
HE22
GLN
101
22.475
8.030
8.481
0.00
0.00
A

ATOM
915
C
GLN
101
24.779
11.078
4.918
1.00
27.91
A

ATOM
916
O
GLN
101
25.688
10.262
4.827
1.00
29.56
A

ATOM
917
N
ALA
102
24.620
12.088
4.079
1.00
28.48
A

ATOM
918
H
ALA
102
23.852
12.693
4.164
0.00
0.00
A

ATOM
919
CA
ALA
102
25.529
12.375
2.986
1.00
27.81
A

ATOM
920
CB
ALA
102
25.379
11.347
1.908
1.00
26.45
A

ATOM
921
C
ALA
102
25.083
13.737
2.487
1.00
28.36
A

ATOM
922
O
ALA
102
23.899
14.070
2.616
1.00
29.75
A

ATOM
923
N
PRO
103
25.974
14.487
1.804
1.00
28.84
A

ATOM
924
CD
PRO
103
25.591
15.762
1.164
1.00
28.31
A

ATOM
925
CA
PRO
103
27.359
14.139
1.465
1.00
28.46
A

ATOM
926
CB
PRO
103
27.719
15.186
0.409
1.00
25.60
A

ATOM
927
CG
PRO
103
26.919
16.358
0.801
1.00
25.38
A

ATOM
928
C
PRO
103
28.347
14.116
2.628
1.00
31.59
A

ATOM
929
O
PRO
103
27.978
14.392
3.772
1.00
35.44
A

ATOM
930
N
LYS
104
29.593
13.740
2.333
1.00
32.69
A

ATOM
931
H
LYS
104
29.817
13.535
1.404
0.00
0.00
A

ATOM
932
CA
LYS
104
30.657
13.662
3.340
1.00
30.58
A

ATOM
933
CB
LYS
104
31.821
12.831
2.798
1.00
32.54
A

ATOM
934
CG
LYS
104
32.845
12.424
3.840
1.00
37.79
A

ATOM
935
CD
LYS
104
32.225
11.458
4.827
1.00
45.14
A

ATOM
936
CE
LYS
104
33.218
10.983
5.881
1.00
49.57
A

ATOM
937
NZ
LYS
104
32.616
9.902
6.738
1.00
54.87
A

ATOM
938
HZ1
LYS
104
32.368
9.088
6.139
0.00
0.00
A

ATOM
939
HZ2
LYS
104
31.761
10.242
7.223
0.00
0.00
A

ATOM
940
HZ3
LYS
104
33.311
9.600
7.452
0.00
0.00
A

ATOM
941
C
LYS
104
31.136
15.073
3.641
1.00
30.14
A

ATOM
942
O
LYS
104
31.777
15.709
2.804
1.00
34.01
A

ATOM
943
N
MET
105
30.830
15.568
4.826
1.00
25.53
A

ATOM
944
H
MET
105
30.282
15.038
5.433
0.00
0.00
A

ATOM
945
CA
MET
105
31.220
16.908
5.175
1.00
22.89
A

ATOM
946
CB
MET
105
30.408
17.383
6.366
1.00
22.69
A

ATOM
947
CG
MET
105
28.914
17.332
6.160
1.00
25.26
A

ATOM
948
SD
MET
105
28.444
18.320
4.749
1.00
27.75
A

ATOM
949
CE
MET
105
26.705
17.837
4.522
1.00
22.62
A

ATOM
950
C
MET
105
32.675
16.990
5.539
1.00
24.55
A

ATOM
951
O
MET
105
33.337
17.980
5.260
1.00
28.11
A

ATOM
952
N
LEU
106
33.202
15.917
6.086
1.00
25.36
A

ATOM
953
H
LEU
106
32.664
15.120
6.118
0.00
0.00
A

ATOM
954
CA
LEU
106
34.572
15.931
6.569
1.00
29.44
A

ATOM
955
CB
LEU
106
35.067
14.523
6.881
1.00
33.70
A

ATOM
956
CG
LEU
106
36.272
14.558
7.833
1.00
37.95
A

ATOM
957
CD1
LEU
106
35.946
15.379
9.101
1.00
38.15
A

ATOM
958
CD2
LEU
106
36.670
13.140
8.204
1.00
40.76
A

ATOM
959
C
LEU
106
35.654
16.702
5.825
1.00
29.32
A

ATOM
960
O
LEU
106
36.290
17.581
6.387
1.00
31.29
A

ATOM
961
N
PRO
107
35.876
16.399
4.553
1.00
29.19
A

ATOM
962
CD
PRO
107
35.246
15.384
3.694
1.00
29.61
A

ATOM
963
CA
PRO
107
36.923
17.129
3.835
1.00
29.15
A

ATOM
964
CB
PRO
107
36.976
16.394
2.496
1.00
30.23
A

ATOM
965
CG
PRO
107
35.576
15.890
2.320
1.00
28.09
A

ATOM
966
C
PRO
107
36.714
18.626
3.636
1.00
29.69
A

ATOM
967
O
PRO
107
37.662
19.355
3.328
1.00
29.34
A

ATOM
968
N
HIS
108
35.476
19.081
3.794
1.00
30.02
A

ATOM
969
H
HIS
108
34.783
18.465
4.109
0.00
0.00
A

ATOM
970
CA
HIS
108
35.138
20.487
3.586
1.00
29.58
A

ATOM
971
CB
HIS
108
33.765
20.575
2.947
1.00
27.33
A

ATOM
972
CG
HIS
108
33.623
19.716
1.738
1.00
26.43
A

ATOM
973
CD2
HIS
108
32.974
18.545
1.550
1.00
28.75
A

ATOM
974
ND1
HIS
108
34.233
20.012
0.540
1.00
28.00
A

ATOM
975
HD1
HIS
108
34.717
20.839
0.335
0.00
0.00
A

ATOM
976
CE1
HIS
108
33.970
19.058
−0.336
1.00
27.12
A

ATOM
977
NE2
HIS
108
33.208
18.155
0.253
1.00
31.32
A

ATOM
978
HE2
HIS
108
32.838
17.343
−0.163
0.00
0.00
A

ATOM
979
C
HIS
108
35.161
21.340
4.843
1.00
30.69
A

ATOM
980
O
HIS
108
35.093
22.569
4.779
1.00
32.65
A

ATOM
981
N
ILE
109
35.302
20.697
5.987
1.00
28.24
A

ATOM
982
H
ILE
109
35.411
19.721
5.996
0.00
0.00
A

ATOM
983
CA
ILE
109
35.298
21.413
7.234
1.00
23.92
A

ATOM
984
CB
ILE
109
35.141
20.442
8.395
1.00
22.78
A

ATOM
985
CG2
ILE
109
35.385
21.131
9.708
1.00
19.58
A

ATOM
986
CG1
ILE
109
33.726
19.857
8.338
1.00
20.82
A

ATOM
987
CD1
ILE
109
33.548
18.605
9.093
1.00
21.50
A

ATOM
988
C
ILE
109
36.402
22.425
7.451
1.00
26.23
A

ATOM
989
O
ILE
109
36.133
23.509
7.958
1.00
32.63
A

ATOM
990
N
PRO
110
37.652
22.124
7.065
1.00
26.64
A

ATOM
991
CD
PRO
110
38.229
20.895
6.505
1.00
27.77
A

ATOM
992
CA
PRO
110
38.704
23.125
7.282
1.00
25.96
A

ATOM
993
CB
PRO
110
39.905
22.494
6.608
1.00
24.86
A

ATOM
994
CG
PRO
110
39.689
21.056
6.846
1.00
24.40
A

ATOM
995
C
PRO
110
38.341
24.434
6.607
1.00
27.69
A

ATOM
996
O
PRO
110
38.423
25.511
7.215
1.00
27.07
A

ATOM
997
N
GLN
111
37.909
24.321
5.352
1.00
29.37
A

ATOM
998
H
GLN
111
37.856
23.431
4.947
0.00
0.00
A

ATOM
999
CA
GLN
111
37.500
25.481
4.566
1.00
29.01
A

ATOM
1000
CB
GLN
111
37.243
25.071
3.120
1.00
26.32
A

ATOM
1001
CG
GLN
111
37.017
26.226
2.172
1.00
24.89
A

ATOM
1002
CD
GLN
111
38.087
27.278
2.259
1.00
23.81
A

ATOM
1003
OE1
GLN
111
37.789
28.452
2.372
1.00
31.55
A

ATOM
1004
NE2
GLN
111
39.338
26.867
2.229
1.00
26.26
A

ATOM
1005
HE21
GLN
111
39.484
25.910
2.210
0.00
0.00
A

ATOM
1006
HE22
GLN
111
40.024
27.571
2.227
0.00
0.00
A

ATOM
1007
C
GLN
111
36.259
26.131
5.182
1.00
30.54
A

ATOM
1008
O
GLN
111
36.150
27.351
5.196
1.00
35.14
A

ATOM
1009
N
MET
112
35.333
25.320
5.696
1.00
30.78
A

ATOM
1010
H
MET
112
35.453
24.352
5.634
0.00
0.00
A

ATOM
1011
CA
MET
112
34.124
25.831
6.345
1.00
27.53
A

ATOM
1012
CB
MET
112
33.280
24.694
6.913
1.00
27.13
A

ATOM
1013
CG
MET
112
32.235
24.127
5.984
1.00
25.22
A

ATOM
1014
SD
MET
112
31.275
22.888
6.846
1.00
25.29
A

ATOM
1015
CE
MET
112
30.638
22.029
5.536
1.00
24.12
A

ATOM
1016
C
MET
112
34.560
26.700
7.500
1.00
28.92
A

ATOM
1017
O
MET
112
34.046
27.804
7.677
1.00
31.65
A

ATOM
1018
N
ARG
113
35.529
26.211
8.274
1.00
28.19
A

ATOM
1019
H
ARG
113
35.910
25.342
8.057
0.00
0.00
A

ATOM
1020
CA
ARG
113
36.040
26.957
9.426
1.00
29.54
A

ATOM
1021
CB
ARG
113
36.968
26.099
10.270
1.00
25.68
A

ATOM
1022
CG
ARG
113
36.273
25.006
10.983
1.00
23.70
A

ATOM
1023
CD
ARG
113
37.267
24.163
11.680
1.00
22.63
A

ATOM
1024
NE
ARG
113
37.843
24.852
12.819
1.00
24.17
A

ATOM
1025
HE
ARG
113
37.310
25.589
13.199
0.00
0.00
A

ATOM
1026
CZ
ARG
113
39.027
24.549
13.340
1.00
26.90
A

ATOM
1027
NH1
ARG
113
39.487
25.205
14.401
1.00
24.81
A

ATOM
1028
HH11
ARG
113
38.897
25.929
14.799
0.00
0.00
A

ATOM
1029
HH12
ARG
113
40.350
25.021
14.873
0.00
0.00
A

ATOM
1030
NH2
ARG
113
39.776
23.618
12.760
1.00
27.84
A

ATOM
1031
HH21
ARG
113
39.427
23.147
11.950
0.00
0.00
A

ATOM
1032
HH22
ARG
113
40.662
23.354
13.138
0.00
0.00
A

ATOM
1033
C
ARG
113
36.761
28.246
9.060
1.00
31.05
A

ATOM
1034
O
ARG
113
36.826
29.161
9.869
1.00
33.27
A

ATOM
1035
N
VAL
114
37.350
28.293
7.871
1.00
31.23
A

ATOM
1036
H
VAL
114
37.314
27.501
7.296
0.00
0.00
A

ATOM
1037
CA
VAL
114
38.063
29.476
7.405
1.00
29.99
A

ATOM
1038
CB
VAL
114
38.876
29.140
6.155
1.00
29.99
A

ATOM
1039
CG1
VAL
114
39.383
30.393
5.498
1.00
29.97
A

ATOM
1040
CG2
VAL
114
40.021
28.209
6.522
1.00
29.75
A

ATOM
1041
C
VAL
114
37.057
30.581
7.092
1.00
31.42
A

ATOM
1042
O
VAL
114
37.240
31.737
7.484
1.00
33.80
A

ATOM
1043
N
PHE
115
35.990
30.207
6.397
1.00
29.02
A

ATOM
1044
H
PHE
115
35.925
29.271
6.099
0.00
0.00
A

ATOM
1045
CA
PHE
115
34.933
31.135
6.048
1.00
27.18
A

ATOM
1046
CB
PHE
115
33.887
30.422
5.214
1.00
23.61
A

ATOM
1047
CG
PHE
115
34.290
30.215
3.806
1.00
22.50
A

ATOM
1048
CD1
PHE
115
33.589
29.341
2.997
1.00
24.86
A

ATOM
1049
CD2
PHE
115
35.322
30.947
3.257
1.00
23.68
A

ATOM
1050
CE1
PHE
115
33.908
29.212
1.664
1.00
22.96
A

ATOM
1051
CE2
PHE
115
35.649
30.821
1.917
1.00
22.85
A

ATOM
1052
CZ
PHE
115
34.937
29.955
1.123
1.00
22.00
A

ATOM
1053
C
PHE
115
34.258
31.694
7.290
1.00
28.13
A

ATOM
1054
O
PHE
115
34.139
32.903
7.443
1.00
29.19
A

ATOM
1055
N
ILE
116
33.803
30.807
8.169
1.00
27.94
A

ATOM
1056
H
ILE
116
33.909
29.847
7.979
0.00
0.00
A

ATOM
1057
CA
ILE
116
33.129
31.227
9.387
1.00
27.20
A

ATOM
1058
CB
ILE
116
32.650
30.028
10.218
1.00
26.48
A

ATOM
1059
CG2
ILE
116
32.060
30.511
11.522
1.00
26.73
A

ATOM
1060
CG1
ILE
116
31.599
29.235
9.436
1.00
26.91
A

ATOM
1061
CD1
ILE
116
31.164
27.945
10.105
1.00
23.85
A

ATOM
1062
C
ILE
116
33.996
32.128
10.251
1.00
27.34
A

ATOM
1063
O
ILE
116
33.555
33.185
10.664
1.00
30.09
A

ATOM
1064
N
ALA
117
35.230
31.727
10.519
1.00
28.85
A

ATOM
1065
H
ALA
117
35.566
30.875
10.164
0.00
0.00
A

ATOM
1066
CA
ALA
117
36.123
32.535
11.350
1.00
30.45
A

ATOM
1067
CB
ALA
117
37.439
31.834
11.571
1.00
31.08
A

ATOM
1068
C
ALA
117
36.358
33.877
10.706
1.00
32.39
A

ATOM
1069
O
ALA
117
36.632
34.854
11.388
1.00
33.20
A

ATOM
1070
N
GLU
118
36.305
33.912
9.381
1.00
35.98
A

ATOM
1071
H
GLU
118
36.186
33.097
8.852
0.00
0.00
A

ATOM
1072
CA
GLU
118
36.475
35.168
8.670
1.00
37.92
A

ATOM
1073
CB
GLU
118
36.563
34.950
7.158
1.00
42.92
A

ATOM
1074
CG
GLU
118
37.970
34.659
6.628
1.00
51.90
A

ATOM
1075
CD
GLU
118
38.066
34.762
5.098
1.00
56.76
A

ATOM
1076
OE1
GLU
118
39.155
34.434
4.572
1.00
58.80
A

ATOM
1077
OE2
GLU
118
37.066
35.161
4.426
1.00
56.13
A

ATOM
1078
C
GLU
118
35.272
36.039
8.986
1.00
36.35
A

ATOM
1079
O
GLU
118
35.413
37.090
9.592
1.00
35.36
A

ATOM
1080
N
ASP
119
34.088
35.553
8.622
1.00
35.47
A

ATOM
1081
H
ASP
119
34.041
34.690
8.164
0.00
0.00
A

ATOM
1082
CA
ASP
119
32.837
36.262
8.845
1.00
33.93
A

ATOM
1083
CB
ASP
119
31.658
35.370
8.471
1.00
35.10
A

ATOM
1084
CG
ASP
119
31.610
35.033
6.996
1.00
37.67
A

ATOM
1085
OD1
ASP
119
30.794
34.161
6.637
1.00
38.81
A

ATOM
1086
OD2
ASP
119
32.356
35.635
6.187
1.00
35.75
A

ATOM
1087
C
ASP
119
32.658
36.743
10.282
1.00
34.15
A

ATOM
1088
O
ASP
119
32.042
37.779
10.520
1.00
36.18
A

ATOM
1089
N
LEU
120
33.181
35.983
11.238
1.00
32.94
A

ATOM
1090
H
LEU
120
33.634
35.159
10.969
0.00
0.00
A

ATOM
1091
CA
LEU
120
33.057
36.333
12.646
1.00
32.55
A

ATOM
1092
CB
LEU
120
32.908
35.069
13.493
1.00
29.86
A

ATOM
1093
CG
LEU
120
31.676
34.214
13.211
1.00
28.39
A

ATOM
1094
CD1
LEU
120
31.666
33.004
14.124
1.00
27.63
A

ATOM
1095
CD2
LEU
120
30.427
35.048
13.405
1.00
27.40
A

ATOM
1096
C
LEU
120
34.245
37.136
13.146
1.00
34.93
A

ATOM
1097
O
LEU
120
34.213
37.687
14.245
1.00
37.86
A

ATOM
1098
N
GLY
121
35.311
37.162
12.357
1.00
36.43
A

ATOM
1099
H
GLY
121
35.313
36.684
11.505
0.00
0.00
A

ATOM
1100
CA
GLY
121
36.501
37.894
12.740
1.00
35.75
A

ATOM
1101
C
GLY
121
37.178
37.320
13.962
1.00
37.82
A

ATOM
1102
O
GLY
121
37.576
38.074
14.845
1.00
42.07
A

ATOM
1103
N
CYS
122
37.318
35.998
14.020
1.00
38.40
A

ATOM
1104
H
CYS
122
37.028
35.447
13.261
0.00
0.00
A

ATOM
1105
CA
CYS
122
37.964
35.328
15.153
1.00
39.41
A

ATOM
1106
CB
CYS
122
36.945
34.507
15.937
1.00
37.17
A

ATOM
1107
SG
CYS
122
36.146
33.232
14.975
1.00
31.14
A

ATOM
1108
C
CYS
122
39.015
34.398
14.596
1.00
41.74
A

ATOM
1109
O
CYS
122
39.247
34.392
13.392
1.00
43.67
A

ATOM
1110
N
HIS
123
39.668
33.626
15.457
1.00
45.03
A

ATOM
1111
H
HIS
123
39.376
33.620
16.395
0.00
0.00
A

ATOM
1112
CA
HIS
123
40.664
32.677
14.974
1.00
50.03
A

ATOM
1113
CB
HIS
123
41.734
32.311
16.024
1.00
64.56
A

ATOM
1114
CG
HIS
123
42.050
33.404
17.009
1.00
81.64
A

ATOM
1115
CD2
HIS
123
41.248
34.139
17.823
1.00
86.90
A

ATOM
1116
ND1
HIS
123
43.342
33.812
17.280
1.00
88.26
A

ATOM
1117
HD1
HIS
123
44.164
33.503
16.837
0.00
0.00
A

ATOM
1118
CE1
HIS
123
43.323
34.746
18.218
1.00
90.93
A

ATOM
1119
NE2
HIS
123
42.064
34.963
18.564
1.00
91.75
A

ATOM
1120
HE2
HIS
123
41.744
35.572
19.267
0.00
0.00
A

ATOM
1121
C
HIS
123
39.840
31.441
14.716
1.00
46.69
A

ATOM
1122
O
HIS
123
38.776
31.270
15.299
1.00
45.10
A

ATOM
1123
N
MET
124
40.338
30.567
13.858
1.00
44.77
A

ATOM
1124
H
MET
124
41.167
30.765
13.378
0.00
0.00
A

ATOM
1125
CA
MET
124
39.632
29.336
13.564
1.00
42.57
A

ATOM
1126
CB
MET
124
40.436
28.462
12.608
1.00
42.31
A

ATOM
1127
CG
MET
124
40.263
28.742
11.150
1.00
43.76
A

ATOM
1128
SD
MET
124
41.359
27.661
10.222
1.00
47.19
A

ATOM
1129
CE
MET
124
40.461
26.135
10.250
1.00
48.89
A

ATOM
1130
C
MET
124
39.483
28.572
14.858
1.00
42.03
A

ATOM
1131
O
MET
124
38.580
27.759
14.996
1.00
44.04
A

ATOM
1132
N
ASP
125
40.390
28.815
15.795
1.00
40.95
A

ATOM
1133
H
ASP
125
41.097
29.468
15.660
0.00
0.00
A

ATOM
1134
CA
ASP
125
40.380
28.108
17.067
1.00
42.02
A

ATOM
1135
CB
ASP
125
41.595
28.509
17.901
1.00
52.60
A

ATOM
1136
CG
ASP
125
42.101
27.372
18.789
1.00
63.14
A

ATOM
1137
OD1
ASP
125
43.305
27.042
18.650
1.00
69.07
A

ATOM
1138
OD2
ASP
125
41.318
26.806
19.613
1.00
65.60
A

ATOM
1139
C
ASP
125
39.104
28.317
17.864
1.00
38.07
A

ATOM
1140
O
ASP
125
38.752
27.507
18.714
1.00
36.19
A

ATOM
1141
N
ASP
126
38.406
29.406
17.588
1.00
34.39
A

ATOM
1142
H
ASP
126
38.718
30.063
16.938
0.00
0.00
A

ATOM
1143
CA
ASP
126
37.167
29.689
18.278
1.00
30.28
A

ATOM
1144
CB
ASP
126
37.005
31.185
18.444
1.00
31.50
A

ATOM
1145
CG
ASP
126
38.133
31.795
19.202
1.00
34.50
A

ATOM
1146
OD1
ASP
126
38.444
32.966
18.917
1.00
39.77
A

ATOM
1147
OD2
ASP
126
38.727
31.103
20.062
1.00
36.20
A

ATOM
1148
C
ASP
126
35.999
29.156
17.484
1.00
28.73
A

ATOM
1149
O
ASP
126
34.850
29.413
17.825
1.00
31.02
A

ATOM
1150
N
VAL
127
36.288
28.406
16.429
1.00
25.83
A

ATOM
1151
H
VAL
127
37.214
28.205
16.212
0.00
0.00
A

ATOM
1152
CA
VAL
127
35.256
27.862
15.569
1.00
23.89
A

ATOM
1153
CB
VAL
127
35.231
28.599
14.223
1.00
22.97
A

ATOM
1154
CG1
VAL
127
34.192
27.997
13.327
1.00
26.09
A

ATOM
1155
CG2
VAL
127
34.927
30.066
14.434
1.00
23.33
A

ATOM
1156
C
VAL
127
35.464
26.383
15.303
1.00
24.47
A

ATOM
1157
O
VAL
127
36.514
25.970
14.813
1.00
24.00
A

ATOM
1158
N
ASN
128
34.450
25.587
15.607
1.00
25.25
A

ATOM
1159
H
ASN
128
33.629
25.954
16.008
0.00
0.00
A

ATOM
1160
CA
ASN
128
34.511
24.149
15.381
1.00
25.99
A

ATOM
1161
CB
ASN
128
34.586
23.420
16.724
1.00
29.64
A

ATOM
1162
CG
ASN
128
34.928
21.949
16.575
1.00
30.61
A

ATOM
1163
OD1
ASN
128
36.071
21.590
16.308
1.00
33.30
A

ATOM
1164
ND2
ASN
128
33.945
21.092
16.773
1.00
33.38
A

ATOM
1165
HD21
ASN
128
33.072
21.473
17.026
0.00
0.00
A

ATOM
1166
HD22
ASN
128
34.122
20.134
16.670
0.00
0.00
A

ATOM
1167
C
ASN
128
33.279
23.687
14.585
1.00
25.09
A

ATOM
1168
O
ASN
128
32.193
24.257
14.719
1.00
26.50
A

ATOM
1169
N
VAL
129
33.465
22.714
13.699
1.00
22.54
A

ATOM
1170
H
VAL
129
34.346
22.300
13.573
0.00
0.00
A

ATOM
1171
CA
VAL
129
32.365
22.176
12.906
1.00
19.85
A

ATOM
1172
CB
VAL
129
32.386
22.684
11.461
1.00
15.64
A

ATOM
1173
CG1
VAL
129
31.288
22.028
10.675
1.00
17.08
A

ATOM
1174
CG2
VAL
129
32.201
24.169
11.417
1.00
13.92
A

ATOM
1175
C
VAL
129
32.556
20.666
12.887
1.00
21.67
A

ATOM
1176
O
VAL
129
33.684
20.192
12.828
1.00
23.70
A

ATOM
1177
N
LYS
130
31.479
19.907
13.019
1.00
21.70
A

ATOM
1178
H
LYS
130
30.589
20.310
13.113
0.00
0.00
A

ATOM
1179
CA
LYS
130
31.590
18.455
12.989
1.00
23.02
A

ATOM
1180
CB
LYS
130
31.653
17.873
14.397
1.00
24.96
A

ATOM
1181
CG
LYS
130
30.365
17.939
15.183
1.00
26.97
A

ATOM
1182
CD
LYS
130
30.584
17.490
16.613
1.00
24.71
A

ATOM
1183
CE
LYS
130
31.087
18.625
17.452
1.00
22.91
A

ATOM
1184
NZ
LYS
130
30.057
19.691
17.524
1.00
21.04
A

ATOM
1185
HZ1
LYS
130
30.485
20.410
18.151
0.00
0.00
A

ATOM
1186
HZ2
LYS
130
29.202
19.389
18.005
0.00
0.00
A

ATOM
1187
HZ3
LYS
130
29.891
20.204
16.637
0.00
0.00
A

ATOM
1188
C
LYS
130
30.381
17.939
12.258
1.00
24.73
A

ATOM
1189
O
LYS
130
29.464
18.716
11.965
1.00
27.86
A

ATOM
1190
N
ALA
131
30.356
16.647
11.962
1.00
23.88
A

ATOM
1191
H
ALA
131
31.087
16.045
12.258
0.00
0.00
A

ATOM
1192
CA
ALA
131
29.226
16.088
11.244
1.00
22.87
A

ATOM
1193
CB
ALA
131
29.556
15.982
9.779
1.00
21.64
A

ATOM
1194
C
ALA
131
28.834
14.733
11.789
1.00
25.34
A

ATOM
1195
O
ALA
131
29.617
14.085
12.497
1.00
25.97
A

ATOM
1196
N
THR
132
27.601
14.327
11.503
1.00
25.94
A

ATOM
1197
H
THR
132
26.979
14.889
10.999
0.00
0.00
A

ATOM
1198
CA
THR
132
27.124
13.030
11.933
1.00
28.47
A

ATOM
1199
CB
THR
132
26.683
13.043
13.400
1.00
31.26
A

ATOM
1200
OG1
THR
132
26.505
11.694
13.850
1.00
37.32
A

ATOM
1201
HG1
THR
132
26.405
11.726
14.811
0.00
0.00
A

ATOM
1202
CG2
THR
132
25.367
13.788
13.564
1.00
32.90
A

ATOM
1203
C
THR
132
25.956
12.589
11.077
1.00
28.81
A

ATOM
1204
O
THR
132
25.256
13.418
10.497
1.00
29.53
A

ATOM
1205
N
THR
133
25.770
11.280
10.963
1.00
29.72
A

ATOM
1206
H
THR
133
26.336
10.669
11.477
0.00
0.00
A

ATOM
1207
CA
THR
133
24.648
10.751
10.195
1.00
29.86
A

ATOM
1208
CB
THR
133
25.012
9.503
9.346
1.00
28.71
A

ATOM
1209
OG1
THR
133
25.238
8.382
10.199
1.00
27.75
A

ATOM
1210
HG1
THR
133
25.961
8.463
10.831
0.00
0.00
A

ATOM
1211
CG2
THR
133
26.238
9.729
8.509
1.00
27.82
A

ATOM
1212
C
THR
133
23.670
10.285
11.243
1.00
30.68
A

ATOM
1213
O
THR
133
24.014
10.198
12.425
1.00
32.02
A

ATOM
1214
N
THR
134
22.455
9.982
10.824
1.00
29.98
A

ATOM
1215
H
THR
134
22.165
10.127
9.906
0.00
0.00
A

ATOM
1216
CA
THR
134
21.474
9.476
11.766
1.00
31.97
A

ATOM
1217
CB
THR
134
20.210
10.303
11.697
1.00
29.14
A

ATOM
1218
OG1
THR
134
19.783
10.397
10.338
1.00
31.67
A

ATOM
1219
HG1
THR
134
18.819
10.518
10.331
0.00
0.00
A

ATOM
1220
CG2
THR
134
20.513
11.684
12.174
1.00
26.94
A

ATOM
1221
C
THR
134
21.234
7.975
11.487
1.00
34.41
A

ATOM
1222
O
THR
134
20.143
7.435
11.703
1.00
36.08
A

ATOM
1223
N
GLU
135
22.282
7.328
10.974
1.00
34.44
A

ATOM
1224
H
GLU
135
23.136
7.796
10.872
0.00
0.00
A

ATOM
1225
CA
GLU
135
22.301
5.904
10.649
1.00
34.92
A

ATOM
1226
CB
GLU
135
22.448
5.092
11.926
1.00
37.94
A

ATOM
1227
CG
GLU
135
23.610
5.554
12.782
1.00
46.91
A

ATOM
1228
CD
GLU
135
24.759
4.578
12.776
1.00
53.68
A

ATOM
1229
OE1
GLU
135
25.908
5.005
12.500
1.00
54.16
A

ATOM
1230
OE2
GLU
135
24.504
3.383
13.078
1.00
59.91
A

ATOM
1231
C
GLU
135
21.115
5.424
9.838
1.00
32.81
A

ATOM
1232
O
GLU
135
20.434
4.476
10.202
1.00
33.96
A

ATOM
1233
N
LYS
136
20.891
6.080
8.711
1.00
32.41
A

ATOM
1234
H
LYS
136
21.495
6.788
8.450
0.00
0.00
A

ATOM
1235
CA
LYS
136
19.792
5.743
7.825
1.00
32.02
A

ATOM
1236
CB
LYS
136
19.952
4.325
7.307
1.00
33.56
A

ATOM
1237
CG
LYS
136
21.043
4.174
6.273
1.00
38.46
A

ATOM
1238
CD
LYS
136
20.608
4.810
4.980
1.00
46.59
A

ATOM
1239
CE
LYS
136
21.547
4.452
3.838
1.00
54.78
A

ATOM
1240
NZ
LYS
136
21.009
4.962
2.534
1.00
60.41
A

ATOM
1241
HZ1
LYS
136
21.658
4.723
1.761
0.00
0.00
A

ATOM
1242
HZ2
LYS
136
20.904
5.996
2.605
0.00
0.00
A

ATOM
1243
HZ3
LYS
136
20.073
4.543
2.367
0.00
0.00
A

ATOM
1244
C
LYS
136
18.402
5.952
8.413
1.00
31.66
A

ATOM
1245
O
LYS
136
17.406
5.706
7.741
1.00
34.88
A

ATOM
1246
N
LEU
137
18.329
6.448
9.642
1.00
29.30
A

ATOM
1247
H
LEU
137
19.126
6.654
10.165
0.00
0.00
A

ATOM
1248
CA
LEU
137
17.052
6.714
10.278
1.00
26.15
A

ATOM
1249
CB
LEU
137
17.161
6.485
11.784
1.00
25.03
A

ATOM
1250
CG
LEU
137
17.562
5.102
12.264
1.00
21.54
A

ATOM
1251
CD1
LEU
137
17.596
5.086
13.761
1.00
21.89
A

ATOM
1252
CD2
LEU
137
16.552
4.130
11.780
1.00
19.81
A

ATOM
1253
C
LEU
137
16.616
8.166
10.044
1.00
26.29
A

ATOM
1254
O
LEU
137
17.451
9.080
9.977
1.00
27.61
A

ATOM
1255
N
GLY
138
15.306
8.369
9.924
1.00
23.39
A

ATOM
1256
H
GLY
138
14.740
7.572
9.944
0.00
0.00
A

ATOM
1257
CA
GLY
138
14.758
9.705
9.761
1.00
21.88
A

ATOM
1258
C
GLY
138
14.825
10.366
8.405
1.00
24.04
A

ATOM
1259
O
GLY
138
15.345
9.791
7.455
1.00
27.06
A

ATOM
1260
N
PHE
139
14.312
11.590
8.309
1.00
22.08
A

ATOM
1261
H
PHE
139
13.962
12.047
9.100
0.00
0.00
A

ATOM
1262
CA
PHE
139
14.326
12.275
7.037
1.00
21.96
A

ATOM
1263
CB
PHE
139
13.520
13.573
7.081
1.00
22.31
A

ATOM
1264
CG
PHE
139
14.159
14.694
7.866
1.00
25.89
A

ATOM
1265
CD1
PHE
139
15.099
15.530
7.280
1.00
26.36
A

ATOM
1266
CD2
PHE
139
13.766
14.963
9.168
1.00
23.00
A

ATOM
1267
CE1
PHE
139
15.626
16.606
7.975
1.00
23.91
A

ATOM
1268
CE2
PHE
139
14.297
16.046
9.865
1.00
19.11
A

ATOM
1269
CZ
PHE
139
15.223
16.862
9.266
1.00
20.65
A

ATOM
1270
C
PHE
139
15.752
12.493
6.593
1.00
23.69
A

ATOM
1271
O
PHE
139
16.040
12.523
5.411
1.00
25.47
A

ATOM
1272
N
THR
140
16.656
12.598
7.555
1.00
25.92
A

ATOM
1273
H
THR
140
16.419
12.553
8.499
0.00
0.00
A

ATOM
1274
CA
THR
140
18.061
12.789
7.247
1.00
27.92
A

ATOM
1275
CB
THR
140
18.852
13.277
8.473
1.00
25.74
A

ATOM
1276
OG1
THR
140
18.504
12.475
9.610
1.00
29.71
A

ATOM
1277
HG1
THR
140
19.075
12.761
10.332
0.00
0.00
A

ATOM
1278
CG2
THR
140
18.549
14.734
8.760
1.00
23.98
A

ATOM
1279
C
THR
140
18.615
11.449
6.802
1.00
30.25
A

ATOM
1280
O
THR
140
19.300
11.370
5.784
1.00
32.63
A

ATOM
1281
N
GLY
141
18.311
10.399
7.566
1.00
30.57
A

ATOM
1282
H
GLY
141
17.791
10.512
8.388
0.00
0.00
A

ATOM
1283
CA
GLY
141
18.783
9.066
7.236
1.00
27.52
A

ATOM
1284
C
GLY
141
18.269
8.621
5.887
1.00
28.40
A

ATOM
1285
O
GLY
141
18.932
7.879
5.169
1.00
31.36
A

ATOM
1286
N
ARG
142
17.101
9.115
5.512
1.00
27.14
A

ATOM
1287
H
ARG
142
16.632
9.732
6.100
0.00
0.00
A

ATOM
1288
CA
ARG
142
16.529
8.752
4.237
1.00
26.43
A

ATOM
1289
CB
ARG
142
15.022
8.774
4.315
1.00
24.81
A

ATOM
1290
CG
ARG
142
14.487
7.713
5.206
1.00
27.61
A

ATOM
1291
CD
ARG
142
13.017
7.558
4.976
1.00
30.19
A

ATOM
1292
NE
ARG
142
12.382
8.836
5.192
1.00
30.84
A

ATOM
1293
HE
ARG
142
12.329
9.363
4.379
0.00
0.00
A

ATOM
1294
CZ
ARG
142
11.960
9.248
6.373
1.00
33.19
A

ATOM
1295
NH1
ARG
142
11.412
10.443
6.498
1.00
36.93
A

ATOM
1296
HH11
ARG
142
11.365
11.001
5.637
0.00
0.00
A

ATOM
1297
HH12
ARG
142
11.078
10.870
7.318
0.00
0.00
A

ATOM
1298
NH2
ARG
142
12.061
8.443
7.417
1.00
34.52
A

ATOM
1299
HH21
ARG
142
12.463
7.531
7.275
0.00
0.00
A

ATOM
1300
HH22
ARG
142
11.754
8.692
8.326
0.00
0.00
A

ATOM
1301
C
ARG
142
17.001
9.662
3.120
1.00
27.65
A

ATOM
1302
O
ARG
142
16.570
9.537
1.976
1.00
30.73
A

ATOM
1303
N
GLY
143
17.873
10.596
3.451
1.00
26.31
A

ATOM
1304
H
GLY
143
18.182
10.681
4.371
0.00
0.00
A

ATOM
1305
CA
GLY
143
18.382
11.491
2.436
1.00
26.04
A

ATOM
1306
C
GLY
143
17.366
12.493
1.954
1.00
26.67
A

ATOM
1307
O
GLY
143
17.518
13.039
0.853
1.00
31.16
A

ATOM
1308
N
GLU
144
16.348
12.753
2.768
1.00
25.56
A

ATOM
1309
H
GLU
144
16.269
12.266
3.607
0.00
0.00
A

ATOM
1310
CA
GLU
144
15.309
13.705
2.423
1.00
22.74
A

ATOM
1311
CB
GLU
144
14.054
13.424
3.221
1.00
22.07
A

ATOM
1312
CG
GLU
144
13.480
12.061
2.943
1.00
25.86
A

ATOM
1313
CD
GLU
144
12.239
11.751
3.758
1.00
30.35
A

ATOM
1314
OE1
GLU
144
11.601
10.711
3.465
1.00
29.02
A

ATOM
1315
OE2
GLU
144
11.898
12.525
4.698
1.00
33.79
A

ATOM
1316
C
GLU
144
15.751
15.137
2.642
1.00
23.10
A

ATOM
1317
O
GLU
144
15.248
16.038
1.978
1.00
24.19
A

ATOM
1318
N
GLY
145
16.704
15.348
3.546
1.00
21.95
A

ATOM
1319
H
GLY
145
17.099
14.603
4.047
0.00
0.00
A

ATOM
1320
CA
GLY
145
17.183
16.695
3.820
1.00
21.94
A

ATOM
1321
C
GLY
145
18.362
16.701
4.766
1.00
23.67
A

ATOM
1322
O
GLY
145
18.848
15.640
5.154
1.00
27.13
A

ATOM
1323
N
ILE
146
18.868
17.882
5.098
1.00
23.66
A

ATOM
1324
H
ILE
146
18.457
18.703
4.749
0.00
0.00
A

ATOM
1325
CA
ILE
146
20.004
17.995
6.011
1.00
22.98
A

ATOM
1326
CB
ILE
146
21.224
18.739
5.382
1.00
22.94
A

ATOM
1327
CG2
ILE
146
22.337
18.889
6.388
1.00
26.90
A

ATOM
1328
CG1
ILE
146
21.852
17.946
4.255
1.00
23.49
A

ATOM
1329
CD1
ILE
146
23.118
18.578
3.774
1.00
25.00
A

ATOM
1330
C
ILE
146
19.515
18.842
7.163
1.00
23.17
A

ATOM
1331
O
ILE
146
18.695
19.738
6.973
1.00
27.99
A

ATOM
1332
N
ALA
147
20.007
18.561
8.356
1.00
20.78
A

ATOM
1333
H
ALA
147
20.679
17.851
8.461
0.00
0.00
A

ATOM
1334
CA
ALA
147
19.635
19.321
9.530
1.00
18.10
A

ATOM
1335
CB
ALA
147
18.906
18.436
10.503
1.00
18.01
A

ATOM
1336
C
ALA
147
20.958
19.749
10.105
1.00
18.07
A

ATOM
1337
O
ALA
147
21.989
19.230
9.713
1.00
20.10
A

ATOM
1338
N
CYS
148
20.950
20.729
10.987
1.00
19.44
A

ATOM
1339
H
CYS
148
20.113
21.186
11.220
0.00
0.00
A

ATOM
1340
CA
CYS
148
22.179
21.176
11.612
1.00
21.10
A

ATOM
1341
CB
CYS
148
22.950
22.088
10.679
1.00
24.72
A

ATOM
1342
SG
CYS
148
24.473
22.729
11.412
1.00
36.01
A

ATOM
1343
C
CYS
148
21.872
21.897
12.910
1.00
21.84
A

ATOM
1344
O
CYS
148
20.861
22.591
13.021
1.00
23.33
A

ATOM
1345
N
GLU
149
22.710
21.679
13.912
1.00
21.80
A

ATOM
1346
H
GLU
149
23.480
21.092
13.789
0.00
0.00
A

ATOM
1347
CA
GLU
149
22.542
22.322
15.208
1.00
23.33
A

ATOM
1348
CB
GLU
149
22.391
21.297
16.298
1.00
21.78
A

ATOM
1349
CG
GLU
149
21.179
20.496
16.175
1.00
27.92
A

ATOM
1350
CD
GLU
149
20.722
20.061
17.518
1.00
33.04
A

ATOM
1351
OE1
GLU
149
20.545
20.949
18.381
1.00
34.62
A

ATOM
1352
OE2
GLU
149
20.604
18.840
17.721
1.00
38.76
A

ATOM
1353
C
GLU
149
23.791
23.111
15.502
1.00
23.69
A

ATOM
1354
O
GLU
149
24.850
22.810
14.950
1.00
27.17
A

ATOM
1355
N
ALA
150
23.693
24.083
16.399
1.00
21.91
A

ATOM
1356
H
ALA
150
22.832
24.274
16.829
0.00
0.00
A

ATOM
1357
CA
ALA
150
24.855
24.888
16.735
1.00
22.23
A

ATOM
1358
CB
ALA
150
25.104
25.921
15.661
1.00
22.94
A

ATOM
1359
C
ALA
150
24.688
25.579
18.054
1.00
21.56
A

ATOM
1360
O
ALA
150
23.568
25.826
18.500
1.00
23.41
A

ATOM
1361
N
VAL
151
25.804
25.827
18.714
1.00
21.13
A

ATOM
1362
H
VAL
151
26.673
25.561
18.343
0.00
0.00
A

ATOM
1363
CA
VAL
151
25.773
26.544
19.968
1.00
21.99
A

ATOM
1364
CB
VAL
151
26.038
25.647
21.169
1.00
19.52
A

ATOM
1365
CG1
VAL
151
24.895
24.669
21.352
1.00
18.30
A

ATOM
1366
CG2
VAL
151
27.353
24.952
21.016
1.00
17.36
A

ATOM
1367
C
VAL
151
26.854
27.596
19.872
1.00
24.67
A

ATOM
1368
O
VAL
151
27.799
27.445
19.096
1.00
28.39
A

ATOM
1369
N
ALA
152
26.686
28.676
20.625
1.00
26.23
A

ATOM
1370
H
ALA
152
25.895
28.733
21.205
0.00
0.00
A

ATOM
1371
CA
ALA
152
27.637
29.781
20.653
1.00
26.91
A

ATOM
1372
CB
ALA
152
27.222
30.843
19.683
1.00
25.69
A

ATOM
1373
C
ALA
152
27.727
30.377
22.052
1.00
28.23
A

ATOM
1374
O
ALA
152
26.777
30.309
22.836
1.00
30.70
A

ATOM
1375
N
LEU
153
28.887
30.927
22.374
1.00
28.90
A

ATOM
1376
H
LEU
153
29.614
30.923
21.718
0.00
0.00
A

ATOM
1377
CA
LEU
153
29.099
31.552
23.660
1.00
28.89
A

ATOM
1378
CB
LEU
153
30.127
30.764
24.440
1.00
28.40
A

ATOM
1379
CG
LEU
153
30.339
31.140
25.895
1.00
31.89
A

ATOM
1380
CD1
LEU
153
30.578
29.892
26.700
1.00
33.79
A

ATOM
1381
CD2
LEU
153
31.532
32.071
26.020
1.00
37.99
A

ATOM
1382
C
LEU
153
29.608
32.949
23.340
1.00
31.48
A

ATOM
1383
O
LEU
153
30.561
33.092
22.573
1.00
33.68
A

ATOM
1384
N
LEU
154
28.889
33.969
23.803
1.00
30.64
A

ATOM
1385
H
LEU
154
28.095
33.789
24.322
0.00
0.00
A

ATOM
1386
CA
LEU
154
29.268
35.355
23.582
1.00
27.82
A

ATOM
1387
CB
LEU
154
28.091
36.184
23.111
1.00
25.01
A

ATOM
1388
CG
LEU
154
27.412
35.772
21.816
1.00
23.83
A

ATOM
1389
CD1
LEU
154
26.184
36.643
21.637
1.00
20.87
A

ATOM
1390
CD2
LEU
154
28.368
35.877
20.638
1.00
20.24
A

ATOM
1391
C
LEU
154
29.756
35.900
24.900
1.00
29.35
A

ATOM
1392
O
LEU
154
29.374
35.420
25.962
1.00
26.36
A

ATOM
1393
N
ILE
155
30.548
36.957
24.822
1.00
33.77
A

ATOM
1394
H
ILE
155
30.733
37.349
23.950
0.00
0.00
A

ATOM
1395
CA
ILE
155
31.147
37.565
25.994
1.00
37.56
A

ATOM
1396
CB
ILE
155
32.649
37.529
25.835
1.00
38.25
A

ATOM
1397
CG2
ILE
155
33.312
38.264
26.951
1.00
41.51
A

ATOM
1398
CG1
ILE
155
33.113
36.083
25.796
1.00
39.34
A

ATOM
1399
CD1
ILE
155
34.560
35.958
25.502
1.00
43.17
A

ATOM
1400
C
ILE
155
30.698
38.998
26.260
1.00
39.78
A

ATOM
1401
O
ILE
155
30.220
39.685
25.358
1.00
45.46
A

ATOM
1402
ZN
ZN
156
17.514
27.639
6.845
1.00
46.53
A

ATOM
1403
C1
SUB
669
15.216
31.821
7.568
1.00
71.79
A

ATOM
1404
N1
SUB
669
8.512
30.521
12.641
1.00
34.81
A

ATOM
1405
C3
SUB
669
7.404
30.610
13.395
1.00
35.06
A

ATOM
1406
N3
SUB
669
6.724
29.477
13.678
1.00
33.19
A

ATOM
1407
C4
SUB
669
7.117
28.284
13.237
1.00
30.19
A

ATOM
1408
C5
SUB
669
8.331
28.194
12.419
1.00
29.30
A

ATOM
1409
C6
SUB
669
8.970
29.334
12.161
1.00
31.06
A

ATOM
1410
O8
SUB
669
7.012
31.682
13.821
1.00
37.83
A

ATOM
1411
N4
SUB
669
6.389
27.217
13.562
1.00
29.45
A

ATOM
1412
C1′
SUB
669
9.270
31.736
12.314
1.00
39.26
A

ATOM
1413
C2′
SUB
669
10.512
32.023
13.152
1.00
44.03
A

ATOM
1414
O2′
SUB
669
10.305
33.151
14.018
1.00
50.70
A

ATOM
1415
C3′
SUB
669
11.651
32.240
12.149
1.00
44.36
A

ATOM
1416
C4′
SUB
669
10.987
32.244
10.754
1.00
42.71
A

ATOM
1417
O4′
SUB
669
9.678
31.693
10.926
1.00
39.67
A

ATOM
1418
O3′
SUB
669
12.253
33.510
12.342
1.00
46.07
A

ATOM
1419
C5′
SUB
669
11.869
31.442
9.714
1.00
45.27
A

ATOM
1420
O5′
SUB
669
11.440
30.076
9.471
1.00
50.96
A

ATOM
1421
PA
SUB
669
12.155
28.998
8.477
1.00
49.68
A

ATOM
1422
O1A
SUB
669
11.881
27.525
9.034
1.00
53.26
A

ATOM
1423
O2A
SUB
669
11.541
29.133
7.002
1.00
55.80
A

ATOM
1424
O3A
SUB
669
13.758
29.217
8.557
1.00
59.44
A

ATOM
1425
PB
SUB
669
14.699
29.269
7.221
1.00
62.77
A

ATOM
1426
O1B
SUB
669
16.173
28.784
7.652
1.00
58.86
A

ATOM
1427
O2B
SUB
669
14.788
30.775
6.696
1.00
67.21
A

ATOM
1428
O3B
SUB
669
14.191
28.335
6.019
1.00
63.75
A

ATOM
1429
C27
SUB
669
15.158
33.136
6.741
1.00
73.86
A

ATOM
1430
C28
SUB
669
16.061
33.211
5.457
1.00
74.19
A

ATOM
1431
C29
SUB
669
15.597
34.476
4.643
1.00
74.40
A

ATOM
1432
O30
SUB
669
16.370
34.642
3.439
1.00
76.36
A

ATOM
1433
O31
SUB
669
15.895
32.070
4.562
1.00
74.90
A

ATOM
1434
C32
SUB
669
17.563
33.361
5.828
1.00
72.22
A

ATOM
1435
O33
SUB
669
15.560
34.235
7.570
1.00
78.73
A

END

[0238]

10

ANNEX 6

coordinates of structure subs

ATOM
1
CB
MET
1
30.210
34.084
29.135
1.00
54.37
A

ATOM
2
CG
MET
1
31.670
34.410
29.042
1.00
60.18
A

ATOM
3
SD
MET
1
32.637
32.911
29.183
1.00
70.78
A

ATOM
4
CE
MET
1
33.690
33.062
27.721
1.00
65.61
A

ATOM
5
C
MET
1
27.870
34.769
28.759
1.00
50.44
A

ATOM
6
O
MET
1
27.206
34.443
29.739
1.00
51.39
A

ATOM
7
HT1
MET
1
29.025
35.666
30.875
0.00
0.00
A

ATOM
8
HT2
MET
1
28.743
37.020
29.919
0.00
0.00
A

ATOM
9
N
MET
1
29.395
36.231
30.079
1.00
53.68
A

ATOM
10
HT3
MET
1
30.367
36.535
30.255
0.00
0.00
A

ATOM
11
CA
MET
1
29.290
35.279
28.928
1.00
52.53
A

ATOM
12
N
ARG
2
27.419
34.668
27.516
1.00
48.38
A

ATOM
13
H
ARG
2
27.983
34.842
26.737
0.00
0.00
A

ATOM
14
CA
ARG
2
26.073
34.194
27.240
1.00
46.90
A

ATOM
15
CB
ARG
2
25.225
35.332
26.700
1.00
46.27
A

ATOM
16
CG
ARG
2
24.897
36.327
27.779
1.00
48.58
A

ATOM
17
CD
ARG
2
24.366
37.607
27.212
1.00
50.52
A

ATOM
18
NE
ARG
2
23.066
37.422
26.597
1.00
52.42
A

ATOM
19
HE
ARG
2
23.052
36.890
25.770
0.00
0.00
A

ATOM
20
CZ
ARG
2
21.923
37.895
27.085
1.00
53.98
A

ATOM
21
NH1
ARG
2
20.802
37.664
26.425
1.00
56.61
A

ATOM
22
HH11
ARG
2
20.817
37.125
25.579
0.00
0.00
A

ATOM
23
HH12
ARG
2
19.928
38.026
26.751
0.00
0.00
A

ATOM
24
NH2
ARG
2
21.887
38.565
28.236
1.00
54.43
A

ATOM
25
HH21
ARG
2
22.680
38.720
28.819
0.00
0.00
A

ATOM
26
HH22
ARG
2
20.992
38.895
28.602
0.00
0.00
A

ATOM
27
C
ARG
2
26.080
33.022
26.286
1.00
45.74
A

ATOM
28
O
ARG
2
26.973
32.898
25.449
1.00
47.13
A

ATOM
29
N
ILE
3
25.075
32.168
26.409
1.00
43.22
A

ATOM
30
H
ILE
3
24.324
32.377
26.998
0.00
0.00
A

ATOM
31
CA
ILE
3
24.974
30.988
25.569
1.00
41.71
A

ATOM
32
CB
ILE
3
24.562
29.797
26.426
1.00
43.50
A

ATOM
33
CG2
ILE
3
23.115
29.919
26.816
1.00
43.43
A

ATOM
34
CG1
ILE
3
24.800
28.489
25.686
1.00
47.16
A

ATOM
35
CD1
ILE
3
24.448
27.276
26.507
1.00
50.04
A

ATOM
36
C
ILE
3
23.954
31.221
24.454
1.00
38.66
A

ATOM
37
O
ILE
3
23.266
32.226
24.448
1.00
38.64
A

ATOM
38
N
GLY
4
23.867
30.306
23.504
1.00
36.81
A

ATOM
39
H
GLY
4
24.470
29.539
23.472
0.00
0.00
A

ATOM
40
CA
GLY
4
22.912
30.468
22.427
1.00
37.68
A

ATOM
41
C
GLY
4
22.752
29.181
21.646
1.00
38.03
A

ATOM
42
O
GLY
4
23.720
28.442
21.454
1.00
40.63
A

ATOM
43
N
HIS
5
21.542
28.889
21.193
1.00
35.84
A

ATOM
44
H
HIS
5
20.808
29.516
21.367
0.00
0.00
A

ATOM
45
CA
HIS
5
21.325
27.662
20.445
1.00
34.92
A

ATOM
46
CB
HIS
5
20.524
26.668
21.264
1.00
31.56
A

ATOM
47
CG
HIS
5
20.136
25.441
20.508
1.00
28.95
A

ATOM
48
CD2
HIS
5
20.652
24.189
20.512
1.00
27.06
A

ATOM
49
ND1
HIS
5
19.056
25.408
19.652
1.00
27.85
A

ATOM
50
HD1
HIS
5
18.423
26.135
19.459
0.00
0.00
A

ATOM
51
CE1
HIS
5
18.919
24.186
19.167
1.00
29.70
A

ATOM
52
NE2
HIS
5
19.873
23.427
19.675
1.00
27.18
A

ATOM
53
HE2
HIS
5
19.868
22.433
19.551
0.00
0.00
A

ATOM
54
C
HIS
5
20.606
27.924
19.153
1.00
35.77
A

ATOM
55
O
HIS
5
19.651
28.698
19.127
1.00
38.12
A

ATOM
56
N
GLY
6
21.024
27.219
18.104
1.00
36.03
A

ATOM
57
H
GLY
6
21.764
26.575
18.185
0.00
0.00
A

ATOM
58
CA
GLY
6
20.419
27.375
16.792
1.00
35.49
A

ATOM
59
C
GLY
6
20.117
26.035
16.162
1.00
34.68
A

ATOM
60
O
GLY
6
20.626
25.012
16.634
1.00
35.54
A

ATOM
61
N
PHE
7
19.311
26.038
15.102
1.00
32.49
A

ATOM
62
H
PHE
7
18.948
26.880
14.740
0.00
0.00
A

ATOM
63
CA
PHE
7
18.931
24.805
14.427
1.00
31.89
A

ATOM
64
CB
PHE
7
17.981
24.013
15.325
1.00
30.27
A

ATOM
65
CG
PHE
7
17.403
22.797
14.680
1.00
29.32
A

ATOM
66
CD1
PHE
7
18.032
21.572
14.790
1.00
31.55
A

ATOM
67
CD2
PHE
7
16.227
22.867
13.961
1.00
30.73
A

ATOM
68
CE1
PHE
7
17.493
20.423
14.186
1.00
31.39
A

ATOM
69
CE2
PHE
7
15.687
21.724
13.355
1.00
32.45
A

ATOM
70
CZ
PHE
7
16.324
20.502
13.469
1.00
27.62
A

ATOM
71
C
PHE
7
18.218
25.119
13.129
1.00
33.78
A

ATOM
72
O
PHE
7
17.311
25.956
13.118
1.00
34.93
A

ATOM
73
N
ASP
8
18.614
24.451
12.047
1.00
34.43
A

ATOM
74
H
ASP
8
19.346
23.799
12.110
0.00
0.00
A

ATOM
75
CA
ASP
8
17.964
24.637
10.748
1.00
36.71
A

ATOM
76
CB
ASP
8
18.666
25.722
9.909
1.00
39.26
A

ATOM
77
CG
ASP
8
17.748
26.317
8.811
1.00
45.10
A

ATOM
78
OD1
ASP
8
18.260
26.782
7.760
1.00
44.84
A

ATOM
79
OD2
ASP
8
16.506
26.323
8.997
1.00
47.92
A

ATOM
80
C
ASP
8
17.877
23.306
9.971
1.00
36.82
A

ATOM
81
O
ASP
8
18.570
22.330
10.292
1.00
38.64
A

ATOM
82
N
VAL
9
16.985
23.255
8.989
1.00
34.51
A

ATOM
83
H
VAL
9
16.466
24.074
8.777
0.00
0.00
A

ATOM
84
CA
VAL
9
16.784
22.077
8.162
1.00
31.92
A

ATOM
85
CB
VAL
9
15.617
21.242
8.673
1.00
29.67
A

ATOM
86
CG1
VAL
9
15.214
20.220
7.637
1.00
27.07
A

ATOM
87
CG2
VAL
9
15.992
20.566
9.968
1.00
29.55
A

ATOM
88
C
VAL
9
16.416
22.574
6.781
1.00
34.74
A

ATOM
89
O
VAL
9
15.861
23.657
6.643
1.00
36.47
A

ATOM
90
N
HIS
10
16.767
21.812
5.754
1.00
36.89
A

ATOM
91
H
HIS
10
17.251
20.971
5.918
0.00
0.00
A

ATOM
92
CA
HIS
10
16.438
22.182
4.378
1.00
39.20
A

ATOM
93
CB
HIS
10
17.512
23.061
3.730
1.00
42.35
A

ATOM
94
CG
HIS
10
17.273
24.530
3.902
1.00
45.47
A

ATOM
95
CD2
HIS
10
17.983
25.481
4.556
1.00
46.89
A

ATOM
96
ND1
HIS
10
16.172
25.169
3.379
1.00
45.88
A

ATOM
97
HD1
HIS
10
15.387
24.772
2.920
0.00
0.00
A

ATOM
98
CE1
HIS
10
16.212
26.449
3.703
1.00
48.01
A

ATOM
99
NE2
HIS
10
17.302
26.665
4.416
1.00
47.26
A

ATOM
100
C
HIS
10
16.256
20.924
3.574
1.00
39.02
A

ATOM
101
O
HIS
10
17.011
19.957
3.721
1.00
37.81
A

ATOM
102
N
ALA
11
15.216
20.925
2.761
1.00
38.76
A

ATOM
103
H
ALA
11
14.629
21.719
2.733
0.00
0.00
A

ATOM
104
CA
ALA
11
14.910
19.779
1.942
1.00
39.11
A

ATOM
105
CB
ALA
11
13.452
19.820
1.544
1.00
41.39
A

ATOM
106
C
ALA
11
15.792
19.766
0.707
1.00
39.76
A

ATOM
107
O
ALA
11
16.093
20.820
0.146
1.00
42.40
A

ATOM
108
N
PHE
12
16.242
18.579
0.316
1.00
40.19
A

ATOM
109
H
PHE
12
15.975
17.780
0.818
0.00
0.00
A

ATOM
110
CA
PHE
12
17.058
18.424
−0.881
1.00
40.48
A

ATOM
111
CB
PHE
12
17.522
16.985
−1.029
1.00
36.59
A

ATOM
112
CG
PHE
12
18.795
16.691
−0.337
1.00
33.79
A

ATOM
113
CD1
PHE
12
19.887
17.528
−0.487
1.00
32.25
A

ATOM
114
CD2
PHE
12
18.914
15.565
0.453
1.00
32.15
A

ATOM
115
CE1
PHE
12
21.080
17.247
0.140
1.00
31.86
A

ATOM
116
CE2
PHE
12
20.105
15.273
1.084
1.00
34.24
A

ATOM
117
CZ
PHE
12
21.193
16.117
0.928
1.00
32.28
A

ATOM
118
C
PHE
12
16.134
18.725
−2.040
1.00
43.89
A

ATOM
119
O
PHE
12
14.924
18.498
−1.939
1.00
45.01
A

ATOM
120
N
GLY
13
16.690
19.193
−3.148
1.00
45.84
A

ATOM
121
H
GLY
13
17.641
19.340
−3.238
0.00
0.00
A

ATOM
122
CA
GLY
13
15.860
19.497
−4.292
1.00
49.75
A

ATOM
123
C
GLY
13
16.677
20.003
−5.453
1.00
53.50
A

ATOM
124
O
GLY
13
17.602
20.799
−5.283
1.00
55.37
A

ATOM
125
N
GLY
14
16.344
19.525
−6.642
1.00
55.18
A

ATOM
126
H
GLY
14
15.633
18.862
−6.720
0.00
0.00
A

ATOM
127
CA
GLY
14
17.063
19.952
−7.822
1.00
59.23
A

ATOM
128
C
GLY
14
18.460
19.379
−7.902
1.00
61.46
A

ATOM
129
O
GLY
14
18.792
18.405
−7.217
1.00
61.87
A

ATOM
130
N
GLU
15
19.270
19.996
−8.752
1.00
62.98
A

ATOM
131
H
GLU
15
18.953
20.758
−9.269
0.00
0.00
A

ATOM
132
CA
GLU
15
20.645
19.581
−8.965
1.00
63.50
A

ATOM
133
CB
GLU
15
21.164
20.176
−10.273
1.00
68.29
A

ATOM
134
CG
GLU
15
20.276
19.956
−11.467
1.00
76.05
A

ATOM
135
CD
GLU
15
20.217
18.504
−11.862
1.00
81.07
A

ATOM
136
OE1
GLU
15
19.334
17.778
−11.342
1.00
83.81
A

ATOM
137
OE2
GLU
15
21.063
18.097
−12.689
1.00
83.98
A

ATOM
138
C
GLU
15
21.503
20.140
−7.854
1.00
61.92
A

ATOM
139
O
GLU
15
21.125
21.118
−7.202
1.00
62.79
A

ATOM
140
N
GLY
16
22.657
19.518
−7.642
1.00
59.51
A

ATOM
141
H
GLY
16
22.855
18.701
−8.146
0.00
0.00
A

ATOM
142
CA
GLY
16
23.590
20.022
−6.656
1.00
55.92
A

ATOM
143
C
GLY
16
24.333
21.188
−7.302
1.00
52.55
A

ATOM
144
O
GLY
16
23.943
21.656
−8.374
1.00
53.74
A

ATOM
145
N
CPR
17
25.397
21.702
−6.680
1.00
47.77
A

ATOM
146
CD
CPR
17
26.192
22.755
−7.336
1.00
45.97
A

ATOM
147
CA
CPR
17
26.002
21.314
−5.412
1.00
44.26
A

ATOM
148
CB
CPR
17
27.414
21.847
−5.569
1.00
45.74
A

ATOM
149
CG
CPR
17
27.166
23.155
−6.263
1.00
45.53
A

ATOM
150
C
CPR
17
25.262
22.039
−4.292
1.00
40.84
A

ATOM
151
O
CPR
17
24.333
22.807
−4.539
1.00
42.02
A

ATOM
152
N
ILE
18
25.675
21.809
−3.062
1.00
35.55
A

ATOM
153
H
ILE
18
26.431
21.221
−2.885
0.00
0.00
A

ATOM
154
CA
ILE
18
25.031
22.465
−1.955
1.00
31.75
A

ATOM
155
CB
ILE
18
24.520
21.435
−0.953
1.00
31.58
A

ATOM
156
CG2
ILE
18
23.749
20.364
−1.696
1.00
33.50
A

ATOM
157
CG1
ILE
18
25.675
20.754
−0.229
1.00
30.95
A

ATOM
158
CD1
ILE
18
25.208
19.793
0.829
1.00
31.28
A

ATOM
159
C
ILE
18
26.038
23.386
−1.305
1.00
30.47
A

ATOM
160
O
ILE
18
27.221
23.367
−1.651
1.00
28.16
A

ATOM
161
N
ILE
19
25.571
24.236
−0.404
1.00
29.27
A

ATOM
162
H
ILE
19
24.623
24.274
−0.159
0.00
0.00
A

ATOM
163
CA
ILE
19
26.485
25.131
0.281
1.00
27.03
A

ATOM
164
CB
ILE
19
26.199
26.567
−0.031
1.00
24.23
A

ATOM
165
CG2
ILE
19
27.354
27.406
0.434
1.00
26.37
A

ATOM
166
CG1
ILE
19
25.975
26.742
−1.527
1.00
25.55
A

ATOM
167
CD1
ILE
19
27.148
26.396
−2.381
1.00
27.49
A

ATOM
168
C
ILE
19
26.307
24.927
1.766
1.00
27.53
A

ATOM
169
O
ILE
19
25.189
24.998
2.271
1.00
31.49
A

ATOM
170
N
ILE
20
27.396
24.620
2.455
1.00
25.41
A

ATOM
171
H
ILE
20
28.265
24.567
2.000
0.00
0.00
A

ATOM
172
CA
ILE
20
27.348
24.386
3.888
1.00
25.14
A

ATOM
173
CB
ILE
20
27.464
22.891
4.209
1.00
24.05
A

ATOM
174
CG2
ILE
20
27.337
22.684
5.699
1.00
25.85
A

ATOM
175
CG1
ILE
20
26.425
22.067
3.441
1.00
21.20
A

ATOM
176
CD1
ILE
20
25.002
22.255
3.891
1.00
18.83
A

ATOM
177
C
ILE
20
28.549
25.085
4.514
1.00
26.74
A

ATOM
178
O
ILE
20
29.671
24.941
4.027
1.00
27.38
A

ATOM
179
N
GLY
21
28.324
25.844
5.581
1.00
26.87
A

ATOM
180
H
GLY
21
27.407
25.973
5.884
0.00
0.00
A

ATOM
181
CA
GLY
21
29.419
26.545
6.227
1.00
25.83
A

ATOM
182
C
GLY
21
30.244
27.324
5.221
1.00
25.50
A

ATOM
183
O
GLY
21
31.454
27.489
5.379
1.00
25.95
A

ATOM
184
N
GLY
22
29.602
27.724
4.134
1.00
25.14
A

ATOM
185
H
GLY
22
28.668
27.494
4.001
0.00
0.00
A

ATOM
186
CA
GLY
22
30.285
28.488
3.113
1.00
27.65
A

ATOM
187
C
GLY
22
30.906
27.710
1.966
1.00
29.70
A

ATOM
188
O
GLY
22
31.176
28.295
0.907
1.00
32.98
A

ATOM
189
N
VAL
23
31.117
26.409
2.135
1.00
27.51
A

ATOM
190
H
VAL
23
30.857
25.982
2.977
0.00
0.00
A

ATOM
191
CA
VAL
23
31.730
25.618
1.076
1.00
27.40
A

ATOM
192
CB
VAL
23
32.576
24.487
1.656
1.00
25.36
A

ATOM
193
CG1
VAL
23
33.212
23.679
0.554
1.00
25.45
A

ATOM
194
CG2
VAL
23
33.638
25.059
2.543
1.00
25.83
A

ATOM
195
C
VAL
23
30.763
25.035
0.055
1.00
29.13
A

ATOM
196
O
VAL
23
29.741
24.447
0.407
1.00
31.93
A

ATOM
197
N
ARG
24
31.064
25.251
−1.218
1.00
28.82
A

ATOM
198
H
ARG
24
31.809
25.822
−1.389
0.00
0.00
A

ATOM
199
CA
ARG
24
30.250
24.703
−2.288
1.00
28.63
A

ATOM
200
CB
ARG
24
30.595
25.369
−3.616
1.00
31.26
A

ATOM
201
CG
ARG
24
29.645
25.000
−4.744
1.00
39.80
A

ATOM
202
CD
ARG
24
30.133
25.532
−6.093
1.00
49.09
A

ATOM
203
NE
ARG
24
29.063
26.136
−6.889
1.00
55.73
A

ATOM
204
HE
ARG
24
28.657
26.937
−6.484
0.00
0.00
A

ATOM
205
CZ
ARG
24
28.650
25.686
−8.074
1.00
59.79
A

ATOM
206
NH1
ARG
24
27.671
26.327
−8.705
1.00
63.53
A

ATOM
207
HH11
ARG
24
27.247
27.145
−8.304
0.00
0.00
A

ATOM
208
HH12
ARG
24
27.315
26.036
−9.597
0.00
0.00
A

ATOM
209
NH2
ARG
24
29.201
24.597
−8.624
1.00
60.14
A

ATOM
210
HH21
ARG
24
29.933
24.116
−8.135
0.00
0.00
A

ATOM
211
HH22
ARG
24
28.904
24.223
−9.505
0.00
0.00
A

ATOM
212
C
ARG
24
30.643
23.237
−2.320
1.00
27.78
A

ATOM
213
O
ARG
24
31.782
22.904
−2.623
1.00
31.16
A

ATOM
214
N
ILE
25
29.739
22.369
−1.911
1.00
26.03
A

ATOM
215
H
ILE
25
28.878
22.692
−1.599
0.00
0.00
A

ATOM
216
CA
ILE
25
30.022
20.948
−1.880
1.00
23.57
A

ATOM
217
CB
ILE
25
29.555
20.347
−0.577
1.00
22.81
A

ATOM
218
CG2
ILE
25
29.649
18.862
−0.642
1.00
22.68
A

ATOM
219
CG1
ILE
25
30.375
20.905
0.578
1.00
23.00
A

ATOM
220
CD1
ILE
25
29.878
20.447
1.912
1.00
24.04
A

ATOM
221
C
ILE
25
29.267
20.257
−2.973
1.00
25.56
A

ATOM
222
O
ILE
25
28.050
20.380
−3.059
1.00
29.78
A

ATOM
223
N
PRO
26
29.959
19.477
−3.803
1.00
27.04
A

ATOM
224
CD
PRO
26
31.409
19.226
−3.844
1.00
25.27
A

ATOM
225
CA
PRO
26
29.266
18.778
−4.889
1.00
26.93
A

ATOM
226
CB
PRO
26
30.426
18.264
−5.732
1.00
25.31
A

ATOM
227
CG
PRO
26
31.504
18.017
−4.721
1.00
22.81
A

ATOM
228
C
PRO
26
28.411
17.634
−4.355
1.00
28.76
A

ATOM
229
O
PRO
26
28.841
16.935
−3.439
1.00
30.11
A

ATOM
230
N
TYR
27
27.200
17.471
−4.895
1.00
31.27
A

ATOM
231
H
TYR
27
26.869
18.075
−5.592
0.00
0.00
A

ATOM
232
CA
TYR
27
26.277
16.387
−4.498
1.00
35.93
A

ATOM
233
CB
TYR
27
25.560
16.717
−3.195
1.00
34.75
A

ATOM
234
CG
TYR
27
24.652
15.629
−2.644
1.00
32.44
A

ATOM
235
CD1
TYR
27
25.171
14.430
−2.177
1.00
31.62
A

ATOM
236
CE1
TYR
27
24.359
13.488
−1.532
1.00
32.17
A

ATOM
237
CD2
TYR
27
23.287
15.859
−2.470
1.00
33.85
A

ATOM
238
CE2
TYR
27
22.473
14.928
−1.828
1.00
34.54
A

ATOM
239
CZ
TYR
27
23.017
13.747
−1.354
1.00
33.05
A

ATOM
240
OH
TYR
27
22.224
12.860
−0.658
1.00
32.73
A

ATOM
241
HH
TYR
27
22.777
12.076
−0.521
0.00
0.00
A

ATOM
242
C
TYR
27
25.246
16.253
−5.598
1.00
39.95
A

ATOM
243
O
TYR
27
25.002
17.229
−6.317
1.00
40.51
A

ATOM
244
N
GLU
28
24.626
15.075
−5.717
1.00
44.34
A

ATOM
245
H
GLU
28
24.829
14.361
−5.080
0.00
0.00
A

ATOM
246
CA
GLU
28
23.626
14.845
−6.773
1.00
49.45
A

ATOM
247
CB
GLU
28
22.988
13.456
−6.692
1.00
55.03
A

ATOM
248
CG
GLU
28
23.784
12.405
−5.954
1.00
68.23
A

ATOM
249
CD
GLU
28
22.900
11.596
−5.004
1.00
76.75
A

ATOM
250
OE1
GLU
28
22.887
10.343
−5.107
1.00
81.42
A

ATOM
251
OE2
GLU
28
22.214
12.223
−4.150
1.00
80.48
A

ATOM
252
C
GLU
28
22.520
15.876
−6.674
1.00
48.18
A

ATOM
253
O
GLU
28
22.342
16.705
−7.567
1.00
50.54
A

ATOM
254
N
LYS
29
21.767
15.813
−5.589
1.00
45.41
A

ATOM
255
H
LYS
29
21.986
15.137
−4.920
0.00
0.00
A

ATOM
256
CA
LYS
29
20.696
16.762
−5.407
1.00
44.45
A

ATOM
257
CB
LYS
29
19.529
16.135
−4.628
1.00
45.58
A

ATOM
258
CG
LYS
29
19.871
14.927
−3.743
1.00
45.23
A

ATOM
259
CD
LYS
29
18.585
14.233
−3.245
1.00
46.32
A

ATOM
260
CE
LYS
29
18.848
12.899
−2.538
1.00
44.83
A

ATOM
261
NZ
LYS
29
19.536
13.029
−1.218
1.00
45.96
A

ATOM
262
HZ1
LYS
29
18.927
13.518
−0.529
0.00
0.00
A

ATOM
263
HZ2
LYS
29
20.479
13.476
−1.295
0.00
0.00
A

ATOM
264
HZ3
LYS
29
19.717
12.074
−0.863
0.00
0.00
A

ATOM
265
C
LYS
29
21.216
18.021
−4.731
1.00
43.42
A

ATOM
266
O
LYS
29
22.336
18.039
−4.221
1.00
42.67
A

ATOM
267
N
GLY
30
20.442
19.095
−4.830
1.00
41.62
A

ATOM
268
H
GLY
30
19.620
19.053
−5.360
0.00
0.00
A

ATOM
269
CA
GLY
30
20.807
20.342
−4.195
1.00
40.62
A

ATOM
270
C
GLY
30
19.865
20.571
−3.026
1.00
41.93
A

ATOM
271
O
GLY
30
19.242
19.620
−2.538
1.00
39.89
A

ATOM
272
N
LEU
31
19.751
21.823
−2.581
1.00
43.44
A

ATOM
273
H
LEU
31
20.233
22.543
−3.042
0.00
0.00
A

ATOM
274
CA
LEU
31
18.873
22.190
−1.463
1.00
44.71
A

ATOM
275
CB
LEU
31
19.696
22.646
−0.253
1.00
39.48
A

ATOM
276
CG
LEU
31
20.399
21.538
0.521
1.00
36.76
A

ATOM
277
CD1
LEU
31
21.341
22.113
1.545
1.00
38.88
A

ATOM
278
CD2
LEU
31
19.365
20.677
1.191
1.00
38.74
A

ATOM
279
C
LEU
31
17.902
23.297
−1.862
1.00
47.59
A

ATOM
280
O
LEU
31
18.270
24.219
−2.591
1.00
51.08
A

ATOM
281
N
LEU
32
16.672
23.214
−1.376
1.00
48.29
A

ATOM
282
H
LEU
32
16.438
22.463
−0.791
0.00
0.00
A

ATOM
283
CA
LEU
32
15.660
24.218
−1.679
1.00
51.81
A

ATOM
284
CB
LEU
32
14.309
23.535
−1.757
1.00
51.36
A

ATOM
285
CG
LEU
32
14.324
22.320
−2.669
1.00
52.32
A

ATOM
286
CD1
LEU
32
13.006
21.595
−2.526
1.00
53.29
A

ATOM
287
CD2
LEU
32
14.579
22.749
−4.114
1.00
52.50
A

ATOM
288
C
LEU
32
15.616
25.311
−0.607
1.00
54.99
A

ATOM
289
O
LEU
32
15.501
24.999
0.582
1.00
56.76
A

ATOM
290
N
ALA
33
15.695
26.581
−1.011
1.00
57.94
A

ATOM
291
H
ALA
33
15.808
26.813
−1.960
0.00
0.00
A

ATOM
292
CA
ALA
33
15.658
27.694
−0.048
1.00
61.39
A

ATOM
293
CB
ALA
33
16.895
27.653
0.853
1.00
61.12
A

ATOM
294
C
ALA
33
15.545
29.080
−0.706
1.00
63.74
A

ATOM
295
O
ALA
33
15.921
29.249
−1.874
1.00
65.92
A

ATOM
296
N
HIS
34
15.004
30.054
0.038
1.00
63.62
A

ATOM
297
H
HIS
34
14.692
29.818
0.935
0.00
0.00
A

ATOM
298
CA
HIS
34
14.857
31.435
−0.453
1.00
62.55
A

ATOM
299
CB
HIS
34
13.967
32.275
0.500
1.00
65.76
A

ATOM
300
CG
HIS
34
14.069
33.771
0.329
1.00
68.89
A

ATOM
301
CD2
HIS
34
14.364
34.746
1.226
1.00
68.32
A

ATOM
302
ND1
HIS
34
13.748
34.425
−0.844
1.00
70.36
A

ATOM
303
HD1
HIS
34
13.480
34.010
−1.688
0.00
0.00
A

ATOM
304
CE1
HIS
34
13.832
35.732
−0.660
1.00
68.73
A

ATOM
305
NE2
HIS
34
14.204
35.953
0.588
1.00
67.83
A

ATOM
306
HE2
HIS
34
14.224
36.830
1.040
0.00
0.00
A

ATOM
307
C
HIS
34
16.260
32.013
−0.590
1.00
59.89
A

ATOM
308
O
HIS
34
16.556
32.657
−1.586
1.00
59.91
A

ATOM
309
N
SER
35
17.115
31.764
0.402
1.00
57.11
A

ATOM
310
H
SER
35
16.855
31.216
1.162
0.00
0.00
A

ATOM
311
CA
SER
35
18.498
32.231
0.375
1.00
53.10
A

ATOM
312
CB
SER
35
19.009
32.473
1.799
1.00
52.79
A

ATOM
313
OG
SER
35
19.334
31.250
2.456
1.00
51.98
A

ATOM
314
HG
SER
35
20.296
31.166
2.287
0.00
0.00
A

ATOM
315
C
SER
35
19.260
31.072
−0.250
1.00
51.44
A

ATOM
316
O
SER
35
18.658
30.223
−0.899
1.00
50.19
A

ATOM
317
N
ASP
36
20.569
31.009
−0.016
1.00
50.81
A

ATOM
318
H
ASP
36
21.055
31.702
0.488
0.00
0.00
A

ATOM
319
CA
ASP
36
21.403
29.920
−0.539
1.00
48.26
A

ATOM
320
CB
ASP
36
22.885
30.294
−0.461
1.00
45.43
A

ATOM
321
CG
ASP
36
23.349
30.512
0.955
1.00
46.06
A

ATOM
322
OD1
ASP
36
24.576
30.518
1.193
1.00
47.59
A

ATOM
323
OD2
ASP
36
22.477
30.684
1.838
1.00
44.68
A

ATOM
324
C
ASP
36
21.146
28.639
0.270
1.00
46.72
A

ATOM
325
O
ASP
36
21.698
27.577
−0.034
1.00
46.96
A

ATOM
326
N
GLY
37
20.334
28.765
1.320
1.00
44.13
A

ATOM
327
H
GLY
37
19.985
29.642
1.530
0.00
0.00
A

ATOM
328
CA
GLY
37
19.992
27.625
2.149
1.00
41.31
A

ATOM
329
C
GLY
37
21.159
26.941
2.832
1.00
39.74
A

ATOM
330
O
GLY
37
21.151
25.715
3.012
1.00
39.00
A

ATOM
331
N
ASP
38
22.175
27.711
3.201
1.00
36.39
A

ATOM
332
H
ASP
38
22.208
28.658
2.954
0.00
0.00
A

ATOM
333
CA
ASP
38
23.319
27.128
3.885
1.00
34.45
A

ATOM
334
CB
ASP
38
24.502
28.093
3.892
1.00
32.32
A

ATOM
335
CG
ASP
38
25.750
27.490
4.502
1.00
30.63
A

ATOM
336
OD1
ASP
38
25.653
26.670
5.447
1.00
29.53
A

ATOM
337
OD2
ASP
38
26.850
27.859
4.052
1.00
30.94
A

ATOM
338
C
ASP
38
22.862
26.832
5.306
1.00
35.00
A

ATOM
339
O
ASP
38
22.793
27.718
6.160
1.00
39.04
A

ATOM
340
N
VAL
39
22.525
25.582
5.554
1.00
32.02
A

ATOM
341
H
VAL
39
22.602
24.965
4.796
0.00
0.00
A

ATOM
342
CA
VAL
39
22.061
25.189
6.857
1.00
28.66
A

ATOM
343
CB
VAL
39
21.681
23.738
6.845
1.00
29.65
A

ATOM
344
CG1
VAL
39
20.941
23.392
8.091
1.00
34.08
A

ATOM
345
CG2
VAL
39
20.820
23.464
5.652
1.00
32.88
A

ATOM
346
C
VAL
39
23.092
25.439
7.948
1.00
28.36
A

ATOM
347
O
VAL
39
22.782
26.079
8.939
1.00
30.38
A

ATOM
348
N
ALA
40
24.325
24.981
7.753
1.00
28.14
A

ATOM
349
H
ALA
40
24.540
24.577
6.889
0.00
0.00
A

ATOM
350
CA
ALA
40
25.379
25.147
8.763
1.00
25.09
A

ATOM
351
CB
ALA
40
26.731
24.765
8.203
1.00
23.04
A

ATOM
352
C
ALA
40
25.435
26.562
9.261
1.00
23.98
A

ATOM
353
O
ALA
40
25.454
26.804
10.462
1.00
24.14
A

ATOM
354
N
LEU
41
25.407
27.508
8.336
1.00
22.42
A

ATOM
355
H
LEU
41
25.320
27.276
7.383
0.00
0.00
A

ATOM
356
CA
LEU
41
25.483
28.898
8.732
1.00
21.89
A

ATOM
357
CB
LEU
41
25.954
29.766
7.579
1.00
19.03
A

ATOM
358
CG
LEU
41
27.341
29.385
7.053
1.00
17.34
A

ATOM
359
CD1
LEU
41
27.810
30.464
6.110
1.00
16.36
A

ATOM
360
CD2
LEU
41
28.329
29.216
8.186
1.00
13.65
A

ATOM
361
C
LEU
41
24.213
29.435
9.369
1.00
23.47
A

ATOM
362
O
LEU
41
24.295
30.114
10.385
1.00
25.77
A

ATOM
363
N
HIS
42
23.043
29.129
8.815
1.00
23.88
A

ATOM
364
H
HIS
42
23.029
28.566
8.010
0.00
0.00
A

ATOM
365
CA
HIS
42
21.806
29.599
9.437
1.00
24.61
A

ATOM
366
CB
HIS
42
20.563
29.043
8.735
1.00
27.60
A

ATOM
367
CG
HIS
42
20.374
29.550
7.336
1.00
34.05
A

ATOM
368
CD2
HIS
42
21.056
30.477
6.620
1.00
35.84
A

ATOM
369
ND1
HIS
42
19.382
29.077
6.500
1.00
35.97
A

ATOM
370
CE1
HIS
42
19.465
29.688
5.330
1.00
36.48
A

ATOM
371
NE2
HIS
42
20.471
30.542
5.377
1.00
35.58
A

ATOM
372
HE2
HIS
42
20.750
31.147
4.656
0.00
0.00
A

ATOM
373
C
HIS
42
21.830
29.118
10.891
1.00
24.68
A

ATOM
374
O
HIS
42
21.683
29.904
11.826
1.00
27.42
A

ATOM
375
N
ALA
43
22.140
27.849
11.091
1.00
22.92
A

ATOM
376
H
ALA
43
22.337
27.264
10.332
0.00
0.00
A

ATOM
377
CA
ALA
43
22.186
27.327
12.439
1.00
23.18
A

ATOM
378
CB
ALA
43
22.612
25.892
12.428
1.00
24.33
A

ATOM
379
C
ALA
43
23.129
28.165
13.290
1.00
24.33
A

ATOM
380
O
ALA
43
22.746
28.613
14.368
1.00
25.69
A

ATOM
381
N
LEU
44
24.334
28.428
12.790
1.00
23.76
A

ATOM
382
H
LEU
44
24.578
28.072
11.908
0.00
0.00
A

ATOM
383
CA
LEU
44
25.298
29.230
13.541
1.00
23.83
A

ATOM
384
CB
LEU
44
26.595
29.389
12.761
1.00
18.87
A

ATOM
385
CG
LEU
44
27.608
30.327
13.409
1.00
16.75
A

ATOM
386
CD1
LEU
44
28.019
29.774
14.734
1.00
15.34
A

ATOM
387
CD2
LEU
44
28.820
30.478
12.528
1.00
15.97
A

ATOM
388
C
LEU
44
24.723
30.612
13.861
1.00
28.05
A

ATOM
389
O
LEU
44
24.771
31.070
15.011
1.00
29.79
A

ATOM
390
N
THR
45
24.132
31.241
12.851
1.00
28.94
A

ATOM
391
H
THR
45
24.041
30.802
11.994
0.00
0.00
A

ATOM
392
CA
THR
45
23.544
32.563
12.984
1.00
30.15
A

ATOM
393
CB
THR
45
22.864
32.982
11.688
1.00
29.50
A

ATOM
394
OG1
THR
45
23.775
32.813
10.597
1.00
32.02
A

ATOM
395
HG1
THR
45
24.583
33.296
10.779
0.00
0.00
A

ATOM
396
CG2
THR
45
22.417
34.431
11.768
1.00
29.14
A

ATOM
397
C
THR
45
22.513
32.656
14.111
1.00
30.78
A

ATOM
398
O
THR
45
22.568
33.568
14.938
1.00
31.32
A

ATOM
399
N
ASP
46
21.562
31.737
14.139
1.00
29.38
A

ATOM
400
H
ASP
46
21.507
31.036
13.454
0.00
0.00
A

ATOM
401
CA
ASP
46
20.561
31.790
15.181
1.00
30.15
A

ATOM
402
CB
ASP
46
19.559
30.666
15.044
1.00
32.23
A

ATOM
403
CG
ASP
46
18.406
31.035
14.186
1.00
34.62
A

ATOM
404
OD1
ASP
46
17.518
30.181
13.981
1.00
41.00
A

ATOM
405
OD2
ASP
46
18.387
32.181
13.715
1.00
34.80
A

ATOM
406
C
ASP
46
21.201
31.677
16.522
1.00
30.28
A

ATOM
407
O
ASP
46
20.897
32.450
17.411
1.00
32.31
A

ATOM
408
N
ALA
47
22.095
30.709
16.669
1.00
29.35
A

ATOM
409
H
ALA
47
22.303
30.142
15.891
0.00
0.00
A

ATOM
410
CA
ALA
47
22.755
30.495
17.939
1.00
31.05
A

ATOM
411
CB
ALA
47
23.748
29.351
17.831
1.00
32.64
A

ATOM
412
C
ALA
47
23.452
31.776
18.369
1.00
33.92
A

ATOM
413
O
ALA
47
23.427
32.141
19.554
1.00
34.86
A

ATOM
414
N
LEU
48
24.053
32.468
17.400
1.00
34.01
A

ATOM
415
H
LEU
48
24.031
32.121
16.483
0.00
0.00
A

ATOM
416
CA
LEU
48
24.749
33.723
17.675
1.00
31.58
A

ATOM
417
CB
LEU
48
25.555
34.184
16.463
1.00
29.45
A

ATOM
418
CG
LEU
48
26.955
33.597
16.349
1.00
29.57
A

ATOM
419
CD1
LEU
48
27.607
34.147
15.120
1.00
31.27
A

ATOM
420
CD2
LEU
48
27.772
33.965
17.566
1.00
28.68
A

ATOM
421
C
LEU
48
23.762
34.801
18.085
1.00
30.35
A

ATOM
422
O
LEU
48
23.969
35.471
19.093
1.00
30.98
A

ATOM
423
N
LEU
49
22.670
34.932
17.334
1.00
28.73
A

ATOM
424
H
LEU
49
22.530
34.329
16.585
0.00
0.00
A

ATOM
425
CA
LEU
49
21.651
35.925
17.632
1.00
29.07
A

ATOM
426
CB
LEU
49
20.620
36.007
16.510
1.00
27.47
A

ATOM
427
CG
LEU
49
21.100
36.705
15.237
1.00
27.15
A

ATOM
428
CD1
LEU
49
19.933
36.888
14.300
1.00
27.33
A

ATOM
429
CD2
LEU
49
21.710
38.059
15.560
1.00
24.21
A

ATOM
430
C
LEU
49
20.963
35.612
18.948
1.00
31.23
A

ATOM
431
O
LEU
49
20.627
36.523
19.707
1.00
32.53
A

ATOM
432
N
GLY
50
20.804
34.321
19.228
1.00
33.10
A

ATOM
433
H
GLY
50
21.185
33.687
18.612
0.00
0.00
A

ATOM
434
CA
GLY
50
20.166
33.867
20.450
1.00
33.56
A

ATOM
435
C
GLY
50
20.964
34.323
21.654
1.00
36.09
A

ATOM
436
O
GLY
50
20.408
34.845
22.621
1.00
39.16
A

ATOM
437
N
ALA
51
22.280
34.163
21.591
1.00
35.37
A

ATOM
438
H
ALA
51
22.677
33.714
20.814
0.00
0.00
A

ATOM
439
CA
ALA
51
23.128
34.591
22.687
1.00
35.30
A

ATOM
440
CB
ALA
51
24.550
34.206
22.411
1.00
35.41
A

ATOM
441
C
ALA
51
23.003
36.105
22.857
1.00
35.83
A

ATOM
442
O
ALA
51
22.910
36.623
23.965
1.00
37.53
A

ATOM
443
N
ALA
52
22.943
36.813
21.744
1.00
35.15
A

ATOM
444
H
ALA
52
23.002
36.346
20.881
0.00
0.00
A

ATOM
445
CA
ALA
52
22.823
38.258
21.778
1.00
35.40
A

ATOM
446
CB
ALA
52
23.097
38.819
20.405
1.00
39.66
A

ATOM
447
C
ALA
52
21.454
38.703
22.246
1.00
33.57
A

ATOM
448
O
ALA
52
21.247
39.868
22.562
1.00
34.43
A

ATOM
449
N
ALA
53
20.517
37.771
22.269
1.00
33.47
A

ATOM
450
H
ALA
53
20.737
36.859
21.981
0.00
0.00
A

ATOM
451
CA
ALA
53
19.148
38.053
22.676
1.00
33.19
A

ATOM
452
CB
ALA
53
19.121
38.768
24.012
1.00
32.74
A

ATOM
453
C
ALA
53
18.489
38.906
21.628
1.00
32.79
A

ATOM
454
O
ALA
53
17.690
39.764
21.953
1.00
33.08
A

ATOM
455
N
LEU
54
18.870
38.711
20.373
1.00
34.72
A

ATOM
456
H
LEU
54
19.548
38.036
20.172
0.00
0.00
A

ATOM
457
CA
LEU
54
18.285
39.481
19.283
1.00
36.61
A

ATOM
458
CB
LEU
54
19.375
39.972
18.323
1.00
35.12
A

ATOM
459
CG
LEU
54
20.607
40.626
18.961
1.00
34.22
A

ATOM
460
CD1
LEU
54
21.617
40.973
17.885
1.00
33.59
A

ATOM
461
CD2
LEU
54
20.234
41.855
19.745
1.00
34.10
A

ATOM
462
C
LEU
54
17.220
38.678
18.524
1.00
38.57
A

ATOM
463
O
LEU
54
16.732
39.119
17.481
1.00
38.85
A

ATOM
464
N
GLY
55
16.855
37.510
19.054
1.00
41.26
A

ATOM
465
H
GLY
55
17.254
37.185
19.883
0.00
0.00
A

ATOM
466
CA
GLY
55
15.841
36.682
18.417
1.00
44.13
A

ATOM
467
C
GLY
55
16.415
35.651
17.467
1.00
46.32
A

ATOM
468
O
GLY
55
17.186
34.783
17.890
1.00
46.61
A

ATOM
469
N
ASP
56
16.045
35.738
16.190
1.00
48.25
A

ATOM
470
H
ASP
56
15.427
36.433
15.884
0.00
0.00
A

ATOM
471
CA
ASP
56
16.537
34.804
15.183
1.00
48.69
A

ATOM
472
CB
ASP
56
15.656
33.537
15.126
1.00
51.39
A

ATOM
473
CG
ASP
56
14.300
33.760
14.438
1.00
53.95
A

ATOM
474
OD1
ASP
56
13.916
34.916
14.159
1.00
55.33
A

ATOM
475
OD2
ASP
56
13.603
32.754
14.175
1.00
55.00
A

ATOM
476
C
ASP
56
16.695
35.430
13.796
1.00
48.46
A

ATOM
477
O
ASP
56
16.286
36.563
13.552
1.00
48.08
A

ATOM
478
N
ILE
57
17.301
34.671
12.894
1.00
50.37
A

ATOM
479
H
ILE
57
17.550
33.774
13.194
0.00
0.00
A

ATOM
480
CA
ILE
57
17.557
35.085
11.522
1.00
51.04
A

ATOM
481
CB
ILE
57
18.259
33.936
10.744
1.00
48.89
A

ATOM
482
CG2
ILE
57
17.370
32.710
10.675
1.00
50.23
A

ATOM
483
CG1
ILE
57
18.596
34.352
9.325
1.00
49.19
A

ATOM
484
CD1
ILE
57
19.106
33.192
8.488
1.00
50.37
A

ATOM
485
C
ILE
57
16.246
35.454
10.845
1.00
53.96
A

ATOM
486
O
ILE
57
16.213
36.325
9.991
1.00
53.58
A

ATOM
487
N
GLY
58
15.160
34.834
11.286
1.00
58.46
A

ATOM
488
H
GLY
58
15.209
34.195
12.036
0.00
0.00
A

ATOM
489
CA
GLY
58
13.861
35.097
10.703
1.00
65.93
A

ATOM
490
C
GLY
58
13.279
36.460
11.011
1.00
71.39
A

ATOM
491
O
GLY
58
12.573
37.030
10.182
1.00
73.60
A

ATOM
492
N
LYS
59
13.524
36.980
12.205
1.00
76.35
A

ATOM
493
H
LYS
59
14.023
36.454
12.872
0.00
0.00
A

ATOM
494
CA
LYS
59
13.005
38.303
12.548
1.00
82.67
A

ATOM
495
CB
LYS
59
13.109
38.576
14.072
1.00
85.68
A

ATOM
496
CG
LYS
59
12.192
39.710
14.642
1.00
88.86
A

ATOM
497
CD
LYS
59
10.700
39.273
14.734
1.00
91.34
A

ATOM
498
CE
LYS
59
9.745
40.338
15.347
1.00
90.66
A

ATOM
499
NZ
LYS
59
8.328
39.844
15.576
1.00
85.90
A

ATOM
500
HZ1
LYS
59
7.726
40.621
15.916
0.00
0.00
A

ATOM
501
HZ2
LYS
59
8.332
39.081
16.284
0.00
0.00
A

ATOM
502
HZ3
LYS
59
7.923
39.476
14.690
0.00
0.00
A

ATOM
503
C
LYS
59
13.824
39.344
11.772
1.00
84.14
A

ATOM
504
O
LYS
59
13.316
40.418
11.440
1.00
87.87
A

ATOM
505
N
LEU
60
15.067
39.001
11.437
1.00
82.86
A

ATOM
506
H
LEU
60
15.392
38.114
11.695
0.00
0.00
A

ATOM
507
CA
LEU
60
15.955
39.926
10.734
1.00
82.21
A

ATOM
508
CB
LEU
60
17.358
39.848
11.333
1.00
80.33
A

ATOM
509
CG
LEU
60
17.621
40.566
12.654
1.00
79.26
A

ATOM
510
CD1
LEU
60
16.708
40.055
13.758
1.00
79.53
A

ATOM
511
CD2
LEU
60
19.076
40.364
13.020
1.00
78.64
A

ATOM
512
C
LEU
60
16.068
39.880
9.204
1.00
82.49
A

ATOM
513
O
LEU
60
16.277
40.924
8.568
1.00
83.08
A

ATOM
514
N
PHE
61
15.969
38.694
8.608
1.00
81.98
A

ATOM
515
H
PHE
61
15.774
37.895
9.131
0.00
0.00
A

ATOM
516
CA
PHE
61
16.120
38.571
7.156
1.00
81.94
A

ATOM
517
CB
PHE
61
17.546
38.105
6.829
1.00
79.88
A

ATOM
518
CG
PHE
61
18.601
38.708
7.721
1.00
78.93
A

ATOM
519
CD1
PHE
61
18.888
40.068
7.666
1.00
79.31
A

ATOM
520
CD2
PHE
61
19.273
37.921
8.654
1.00
78.93
A

ATOM
521
CE1
PHE
61
19.823
40.632
8.535
1.00
80.26
A

ATOM
522
CE2
PHE
61
20.212
38.475
9.528
1.00
77.92
A

ATOM
523
CZ
PHE
61
20.487
39.829
9.471
1.00
78.35
A

ATOM
524
C
PHE
61
15.090
37.634
6.508
1.00
83.30
A

ATOM
525
O
PHE
61
15.436
36.552
6.026
1.00
84.15
A

ATOM
526
N
PRO
62
13.821
38.082
6.429
1.00
84.34
A

ATOM
527
CD
PRO
62
13.474
39.413
6.965
1.00
83.44
A

ATOM
528
CA
PRO
62
12.618
37.436
5.878
1.00
85.96
A

ATOM
529
CB
PRO
62
11.662
38.611
5.723
1.00
84.33
A

ATOM
530
CG
PRO
62
11.963
39.404
6.937
1.00
84.12
A

ATOM
531
C
PRO
62
12.673
36.607
4.587
1.00
87.87
A

ATOM
532
O
PRO
62
13.316
36.981
3.603
1.00
87.54
A

ATOM
533
N
ASP
63
11.935
35.498
4.596
1.00
90.63
A

ATOM
534
H
ASP
63
11.479
35.210
5.421
0.00
0.00
A

ATOM
535
CA
ASP
63
11.832
34.611
3.442
1.00
93.59
A

ATOM
536
CB
ASP
63
10.951
33.392
3.749
1.00
94.11
A

ATOM
537
CG
ASP
63
11.301
32.722
5.057
1.00
94.98
A

ATOM
538
OD1
ASP
63
10.844
33.220
6.107
1.00
95.77
A

ATOM
539
OD2
ASP
63
12.014
31.696
5.036
1.00
95.99
A

ATOM
540
C
ASP
63
11.126
35.420
2.370
1.00
95.99
A

ATOM
541
O
ASP
63
11.470
35.350
1.189
1.00
97.75
A

ATOM
542
N
THR
64
10.124
36.180
2.805
1.00
97.86
A

ATOM
543
H
THR
64
9.918
36.165
3.760
0.00
0.00
A

ATOM
544
CA
THR
64
9.312
37.025
1.928
1.00
99.80
A

ATOM
545
CB
THR
64
8.170
37.697
2.715
1.00
100.00
A

ATOM
546
OG1
THR
64
8.714
38.419
3.834
1.00
100.00
A

ATOM
547
HG1
THR
64
7.996
38.903
4.261
0.00
0.00
A

ATOM
548
CG2
THR
64
7.178
36.643
3.213
1.00
100.00
A

ATOM
549
C
THR
64
10.086
38.116
1.184
1.00
100.00
A

ATOM
550
O
THR
64
9.882
38.308
−0.024
1.00
100.00
A

ATOM
551
N
ASP
65
10.929
38.856
1.908
1.00
100.00
A

ATOM
552
H
ASP
65
11.033
38.684
2.862
0.00
0.00
A

ATOM
553
CA
ASP
65
11.714
39.917
1.290
1.00
100.00
A

ATOM
554
CB
ASP
65
12.570
40.663
2.316
1.00
99.58
A

ATOM
555
CG
ASP
65
13.199
41.931
1.743
1.00
100.00
A

ATOM
556
OD1
ASP
65
13.838
41.861
0.667
1.00
100.00
A

ATOM
557
OD2
ASP
65
13.047
43.005
2.362
1.00
100.00
A

ATOM
558
C
ASP
65
12.586
39.294
0.207
1.00
100.00
A

ATOM
559
O
ASP
65
13.502
38.505
0.488
1.00
99.16
A

ATOM
560
N
PRO
66
12.290
39.631
−1.058
1.00
100.00
A

ATOM
561
CD
PRO
66
11.279
40.653
−1.384
1.00
100.00
A

ATOM
562
CA
PRO
66
12.963
39.170
−2.276
1.00
100.00
A

ATOM
563
CB
PRO
66
12.237
39.949
−3.373
1.00
100.00
A

ATOM
564
CG
PRO
66
11.809
41.212
−2.667
1.00
100.00
A

ATOM
565
C
PRO
66
14.475
39.398
−2.325
1.00
100.00
A

ATOM
566
O
PRO
66
15.199
38.624
−2.962
1.00
100.00
A

ATOM
567
N
ALA
67
14.955
40.443
−1.655
1.00
99.00
A

ATOM
568
H
ALA
67
14.353
41.027
−1.132
0.00
0.00
A

ATOM
569
CA
ALA
67
16.386
40.739
−1.639
1.00
98.20
A

ATOM
570
CB
ALA
67
16.646
42.021
−0.853
1.00
99.56
A

ATOM
571
C
ALA
67
17.176
39.571
−1.034
1.00
96.59
A

ATOM
572
O
ALA
67
18.321
39.299
−1.410
1.00
95.75
A

ATOM
573
N
PHE
68
16.529
38.856
−0.124
1.00
94.54
A

ATOM
574
H
PHE
68
15.613
39.118
0.122
0.00
0.00
A

ATOM
575
CA
PHE
68
17.150
37.728
0.539
1.00
92.56
A

ATOM
576
CB
PHE
68
16.497
37.527
1.904
1.00
93.21
A

ATOM
577
CG
PHE
68
16.397
38.794
2.709
1.00
93.98
A

ATOM
578
CD1
PHE
68
15.301
39.035
3.525
1.00
94.45
A

ATOM
579
CD2
PHE
68
17.402
39.759
2.641
1.00
94.64
A

ATOM
580
CE1
PHE
68
15.206
40.218
4.265
1.00
94.66
A

ATOM
581
CE2
PHE
68
17.315
40.945
3.378
1.00
94.74
A

ATOM
582
CZ
PHE
68
16.214
41.173
4.191
1.00
94.36
A

ATOM
583
C
PHE
68
17.068
36.468
−0.309
1.00
91.02
A

ATOM
584
O
PHE
68
17.317
35.365
0.179
1.00
89.78
A

ATOM
585
N
LYS
69
16.703
36.631
−1.577
1.00
90.57
A

ATOM
586
H
LYS
69
16.563
37.521
−1.960
0.00
0.00
A

ATOM
587
CA
LYS
69
16.603
35.505
−2.494
1.00
91.37
A

ATOM
588
CB
LYS
69
15.688
35.842
−3.666
1.00
92.63
A

ATOM
589
CG
LYS
69
15.421
34.659
−4.576
1.00
96.69
A

ATOM
590
CD
LYS
69
14.780
35.094
−5.888
1.00
100.00
A

ATOM
591
CE
LYS
69
14.689
33.930
−6.877
1.00
100.00
A

ATOM
592
NZ
LYS
69
14.189
34.361
−8.219
1.00
100.00
A

ATOM
593
HZ1
LYS
69
14.148
33.533
−8.849
0.00
0.00
A

ATOM
594
HZ2
LYS
69
14.833
35.072
−8.618
0.00
0.00
A

ATOM
595
HZ3
LYS
69
13.236
34.764
−8.118
0.00
0.00
A

ATOM
596
C
LYS
69
18.006
35.163
−3.000
1.00
91.17
A

ATOM
597
O
LYS
69
18.775
36.062
−3.350
1.00
92.34
A

ATOM
598
N
GLY
70
18.335
33.867
−3.016
1.00
89.22
A

ATOM
599
H
GLY
70
17.689
33.181
−2.806
0.00
0.00
A

ATOM
600
CA
GLY
70
19.649
33.401
−3.437
1.00
85.18
A

ATOM
601
C
GLY
70
20.750
33.991
−2.569
1.00
82.41
A

ATOM
602
O
GLY
70
21.943
33.751
−2.799
1.00
81.68
A

ATOM
603
N
ALA
71
20.327
34.696
−1.519
1.00
80.11
A

ATOM
604
H
ALA
71
19.380
34.743
−1.311
0.00
0.00
A

ATOM
605
CA
ALA
71
21.220
35.386
−0.597
1.00
77.36
A

ATOM
606
CB
ALA
71
20.413
36.093
0.505
1.00
76.77
A

ATOM
607
C
ALA
71
22.343
34.556
0.012
1.00
74.26
A

ATOM
608
O
ALA
71
22.130
33.465
0.552
1.00
75.56
A

ATOM
609
N
ASP
72
23.545
35.103
−0.101
1.00
68.61
A

ATOM
610
H
ASP
72
23.646
35.966
−0.547
0.00
0.00
A

ATOM
611
CA
ASP
72
24.740
34.499
0.433
1.00
63.13
A

ATOM
612
CB
ASP
72
25.927
35.348
−0.023
1.00
64.22
A

ATOM
613
CG
ASP
72
27.233
34.917
0.590
1.00
67.88
A

ATOM
614
OD1
ASP
72
27.396
35.062
1.820
1.00
72.46
A

ATOM
615
OD2
ASP
72
28.121
34.463
−0.158
1.00
68.97
A

ATOM
616
C
ASP
72
24.568
34.520
1.962
1.00
59.50
A

ATOM
617
O
ASP
72
24.640
35.577
2.594
1.00
60.40
A

ATOM
618
N
SER
73
24.282
33.367
2.556
1.00
54.03
A

ATOM
619
H
SER
73
24.197
32.548
2.012
0.00
0.00
A

ATOM
620
CA
SER
73
24.089
33.303
3.997
1.00
48.00
A

ATOM
621
CB
SER
73
23.843
31.873
4.452
1.00
47.13
A

ATOM
622
OG
SER
73
22.514
31.485
4.180
1.00
46.04
A

ATOM
623
HG
SER
73
22.769
30.715
3.649
0.00
0.00
A

ATOM
624
C
SER
73
25.222
33.901
4.811
1.00
44.99
A

ATOM
625
O
SER
73
24.999
34.342
5.942
1.00
44.54
A

ATOM
626
N
ARG
74
26.432
33.911
4.259
1.00
40.57
A

ATOM
627
H
ARG
74
26.566
33.589
3.338
0.00
0.00
A

ATOM
628
CA
ARG
74
27.550
34.473
4.989
1.00
39.47
A

ATOM
629
CB
ARG
74
28.850
34.320
4.250
1.00
37.75
A

ATOM
630
CG
ARG
74
29.246
32.927
4.015
1.00
38.53
A

ATOM
631
CD
ARG
74
30.555
32.933
3.291
1.00
42.12
A

ATOM
632
NE
ARG
74
31.597
33.551
4.102
1.00
42.22
A

ATOM
633
HE
ARG
74
31.325
33.928
4.970
0.00
0.00
A

ATOM
634
CZ
ARG
74
32.873
33.619
3.748
1.00
43.91
A

ATOM
635
NH1
ARG
74
33.749
34.192
4.561
1.00
48.23
A

ATOM
636
HH11
ARG
74
33.426
34.551
5.452
0.00
0.00
A

ATOM
637
HH12
ARG
74
34.742
34.310
4.413
0.00
0.00
A

ATOM
638
NH2
ARG
74
33.271
33.120
2.580
1.00
43.15
A

ATOM
639
HH21
ARG
74
32.611
32.684
1.960
0.00
0.00
A

ATOM
640
HH22
ARG
74
34.236
33.153
2.303
0.00
0.00
A

ATOM
641
C
ARG
74
27.293
35.934
5.190
1.00
40.66
A

ATOM
642
O
ARG
74
27.756
36.511
6.165
1.00
42.69
A

ATOM
643
N
GLU
75
26.594
36.558
4.251
1.00
40.66
A

ATOM
644
H
GLU
75
26.323
36.086
3.428
0.00
0.00
A

ATOM
645
CA
GLU
75
26.287
37.966
4.418
1.00
43.69
A

ATOM
646
CB
GLU
75
25.596
38.541
3.193
1.00
48.70
A

ATOM
647
CG
GLU
75
26.382
38.299
1.930
1.00
60.49
A

ATOM
648
CD
GLU
75
26.342
39.469
0.973
1.00
67.19
A

ATOM
649
OE1
GLU
75
27.341
40.237
0.967
1.00
73.04
A

ATOM
650
OE2
GLU
75
25.332
39.610
0.235
1.00
68.85
A

ATOM
651
C
GLU
75
25.381
38.054
5.624
1.00
41.95
A

ATOM
652
O
GLU
75
25.731
38.676
6.626
1.00
42.62
A

ATOM
653
N
LEU
76
24.270
37.334
5.575
1.00
39.44
A

ATOM
654
H
LEU
76
24.102
36.788
4.776
0.00
0.00
A

ATOM
655
CA
LEU
76
23.341
37.350
6.687
1.00
38.36
A

ATOM
656
CB
LEU
76
22.278
36.267
6.524
1.00
42.91
A

ATOM
657
CG
LEU
76
21.344
36.488
5.334
1.00
44.80
A

ATOM
658
CD1
LEU
76
20.286
35.397
5.230
1.00
47.42
A

ATOM
659
CD2
LEU
76
20.686
37.824
5.516
1.00
46.89
A

ATOM
660
C
LEU
76
24.100
37.151
7.978
1.00
35.33
A

ATOM
661
O
LEU
76
23.910
37.900
8.922
1.00
36.74
A

ATOM
662
N
LEU
77
25.033
36.209
7.980
1.00
32.26
A

ATOM
663
H
LEU
77
25.204
35.702
7.167
0.00
0.00
A

ATOM
664
CA
LEU
77
25.814
35.934
9.175
1.00
32.74
A

ATOM
665
CB
LEU
77
26.788
34.785
8.935
1.00
30.27
A

ATOM
666
CG
LEU
77
27.811
34.555
10.048
1.00
25.16
A

ATOM
667
CD1
LEU
77
27.089
34.175
11.322
1.00
25.07
A

ATOM
668
CD2
LEU
77
28.789
33.475
9.638
1.00
23.86
A

ATOM
669
C
LEU
77
26.598
37.145
9.635
1.00
34.45
A

ATOM
670
O
LEU
77
26.495
37.559
10.791
1.00
34.03
A

ATOM
671
N
ARG
78
27.385
37.703
8.722
1.00
36.15
A

ATOM
672
H
ARG
78
27.400
37.329
7.819
0.00
0.00
A

ATOM
673
CA
ARG
78
28.222
38.857
9.022
1.00
39.09
A

ATOM
674
CB
ARG
78
29.013
39.291
7.780
1.00
40.57
A

ATOM
675
CG
ARG
78
29.996
38.253
7.241
1.00
44.47
A

ATOM
676
CD
ARG
78
30.703
38.746
5.979
1.00
48.34
A

ATOM
677
NE
ARG
78
30.627
37.787
4.875
1.00
55.63
A

ATOM
678
HE
ARG
78
31.081
36.930
5.097
0.00
0.00
A

ATOM
679
CZ
ARG
78
29.982
38.012
3.726
1.00
59.12
A

ATOM
680
NH1
ARG
78
29.963
37.083
2.772
1.00
59.24
A

ATOM
681
HH11
ARG
78
30.389
36.187
2.898
0.00
0.00
A

ATOM
682
HH12
ARG
78
29.441
37.202
1.912
0.00
0.00
A

ATOM
683
NH2
ARG
78
29.346
39.167
3.527
1.00
62.68
A

ATOM
684
HH21
ARG
78
29.329
39.877
4.231
0.00
0.00
A

ATOM
685
HH22
ARG
78
28.815
39.364
2.677
0.00
0.00
A

ATOM
686
C
ARG
78
27.415
40.026
9.574
1.00
40.22
A

ATOM
687
O
ARG
78
27.884
40.739
10.464
1.00
41.23
A

ATOM
688
N
GLU
79
26.200
40.208
9.057
1.00
40.87
A

ATOM
689
H
GLU
79
25.883
39.601
8.355
0.00
0.00
A

ATOM
690
CA
GLU
79
25.322
41.286
9.505
1.00
41.35
A

ATOM
691
CB
GLU
79
24.148
41.471
8.541
1.00
41.31
A

ATOM
692
CG
GLU
79
23.137
42.543
8.959
1.00
46.26
A

ATOM
693
CD
GLU
79
23.647
43.992
8.847
1.00
52.53
A

ATOM
694
OE1
GLU
79
24.859
44.234
8.621
1.00
56.78
A

ATOM
695
OE2
GLU
79
22.813
44.914
8.993
1.00
54.04
A

ATOM
696
C
GLU
79
24.806
40.978
10.903
1.00
41.50
A

ATOM
697
O
GLU
79
24.934
41.794
11.826
1.00
43.56
A

ATOM
698
N
ALA
80
24.231
39.795
11.067
1.00
40.34
A

ATOM
699
H
ALA
80
24.154
39.193
10.300
0.00
0.00
A

ATOM
700
CA
ALA
80
23.722
39.401
12.361
1.00
38.50
A

ATOM
701
CB
ALA
80
23.218
37.997
12.314
1.00
38.29
A

ATOM
702
C
ALA
80
24.888
39.525
13.327
1.00
38.93
A

ATOM
703
O
ALA
80
24.712
39.951
14.462
1.00
39.92
A

ATOM
704
N
TRP
81
26.095
39.248
12.845
1.00
38.89
A

ATOM
705
H
TRP
81
26.189
38.979
11.916
0.00
0.00
A

ATOM
706
CA
TRP
81
27.270
39.362
13.696
1.00
40.90
A

ATOM
707
CB
TRP
81
28.503
38.741
13.050
1.00
35.57
A

ATOM
708
CG
TRP
81
29.729
38.853
13.914
1.00
30.15
A

ATOM
709
CD2
TRP
81
29.848
38.483
15.294
1.00
25.94
A

ATOM
710
CE2
TRP
81
31.170
38.782
15.695
1.00
24.78
A

ATOM
711
CE3
TRP
81
28.971
37.925
16.226
1.00
26.30
A

ATOM
712
CD1
TRP
81
30.945
39.344
13.546
1.00
30.72
A

ATOM
713
NE1
TRP
81
31.819
39.304
14.610
1.00
28.04
A

ATOM
714
HE1
TRP
81
32.775
39.549
14.586
0.00
0.00
A

ATOM
715
CZ2
TRP
81
31.635
38.546
16.986
1.00
23.98
A

ATOM
716
CZ3
TRP
81
29.434
37.685
17.512
1.00
27.28
A

ATOM
717
CH2
TRP
81
30.758
37.997
17.880
1.00
25.88
A

ATOM
718
C
TRP
81
27.554
40.820
14.015
1.00
45.31
A

ATOM
719
O
TRP
81
27.923
41.145
15.144
1.00
48.12
A

ATOM
720
N
ARG
82
27.397
41.694
13.021
1.00
48.82
A

ATOM
721
H
ARG
82
27.121
41.368
12.140
0.00
0.00
A

ATOM
722
CA
ARG
82
27.631
43.125
13.214
1.00
51.16
A

ATOM
723
CB
ARG
82
27.320
43.928
11.946
1.00
55.67
A

ATOM
724
CG
ARG
82
27.481
45.454
12.126
1.00
62.40
A

ATOM
725
CD
ARG
82
27.078
46.261
10.873
1.00
66.23
A

ATOM
726
NE
ARG
82
25.644
46.180
10.598
1.00
68.88
A

ATOM
727
HE
ARG
82
25.401
45.636
9.805
0.00
0.00
A

ATOM
728
CZ
ARG
82
24.705
46.773
11.330
1.00
70.59
A

ATOM
729
NH1
ARG
82
23.428
46.628
11.008
1.00
70.90
A

ATOM
730
HH11
ARG
82
23.243
46.088
10.178
0.00
0.00
A

ATOM
731
HH12
ARG
82
22.658
47.037
11.489
0.00
0.00
A

ATOM
732
NH2
ARG
82
25.044
47.539
12.366
1.00
73.55
A

ATOM
733
HH21
ARG
82
26.015
47.670
12.584
0.00
0.00
A

ATOM
734
HH22
ARG
82
24.375
48.011
12.943
0.00
0.00
A

ATOM
735
C
ARG
82
26.737
43.625
14.323
1.00
50.35
A

ATOM
736
O
ARG
82
27.219
44.083
15.361
1.00
50.43
A

ATOM
737
N
ARG
83
25.433
43.492
14.107
1.00
49.55
A

ATOM
738
H
ARG
83
25.156
43.044
13.279
0.00
0.00
A

ATOM
739
CA
ARG
83
24.444
43.932
15.074
1.00
51.28
A

ATOM
740
CB
ARG
83
23.047
43.550
14.597
1.00
54.08
A

ATOM
741
CG
ARG
83
22.798
44.048
13.195
1.00
60.67
A

ATOM
742
CD
ARG
83
21.381
43.846
12.733
1.00
67.28
A

ATOM
743
NE
ARG
83
21.274
44.146
11.305
1.00
74.78
A

ATOM
744
HE
ARG
83
22.116
44.336
10.824
0.00
0.00
A

ATOM
745
CZ
ARG
83
20.143
44.105
10.599
1.00
78.71
A

ATOM
746
NH1
ARG
83
20.157
44.396
9.297
1.00
81.57
A

ATOM
747
HH11
ARG
83
21.043
44.618
8.854
0.00
0.00
A

ATOM
748
HH12
ARG
83
19.355
44.371
8.702
0.00
0.00
A

ATOM
749
NH2
ARG
83
19.001
43.761
11.186
1.00
81.77
A

ATOM
750
HH21
ARG
83
18.991
43.520
12.160
0.00
0.00
A

ATOM
751
HH22
ARG
83
18.130
43.700
10.690
0.00
0.00
A

ATOM
752
C
ARG
83
24.745
43.374
16.460
1.00
50.32
A

ATOM
753
O
ARG
83
24.608
44.079
17.465
1.00
50.88
A

ATOM
754
N
ILE
84
25.234
42.141
16.507
1.00
48.38
A

ATOM
755
H
ILE
84
25.350
41.622
15.683
0.00
0.00
A

ATOM
756
CA
ILE
84
25.578
41.525
17.778
1.00
48.08
A

ATOM
757
CB
ILE
84
25.959
40.041
17.591
1.00
47.86
A

ATOM
758
CG2
ILE
84
26.522
39.462
18.886
1.00
47.48
A

ATOM
759
CG1
ILE
84
24.728
39.245
17.174
1.00
47.12
A

ATOM
760
CD1
ILE
84
25.039
37.834
16.797
1.00
48.73
A

ATOM
761
C
ILE
84
26.727
42.282
18.451
1.00
47.05
A

ATOM
762
O
ILE
84
26.673
42.586
19.645
1.00
45.94
A

ATOM
763
N
GLN
85
27.751
42.611
17.676
1.00
46.98
A

ATOM
764
H
GLN
85
27.729
42.373
16.724
0.00
0.00
A

ATOM
765
CA
GLN
85
28.895
43.318
18.223
1.00
48.79
A

ATOM
766
CB
GLN
85
30.000
43.448
17.185
1.00
50.08
A

ATOM
767
CG
GLN
85
30.688
42.138
16.878
1.00
53.33
A

ATOM
768
CD
GLN
85
31.848
42.294
15.918
1.00
54.89
A

ATOM
769
OE1
GLN
85
33.001
42.077
16.286
1.00
56.61
A

ATOM
770
NE2
GLN
85
31.549
42.660
14.673
1.00
55.74
A

ATOM
771
HE21
GLN
85
30.611
42.808
14.440
0.00
0.00
A

ATOM
772
HE22
GLN
85
32.298
42.746
14.053
0.00
0.00
A

ATOM
773
C
GLN
85
28.482
44.681
18.717
1.00
49.22
A

ATOM
774
O
GLN
85
29.008
45.173
19.718
1.00
50.10
A

ATOM
775
N
ALA
86
27.522
45.278
18.019
1.00
48.34
A

ATOM
776
H
ALA
86
27.154
44.815
17.238
0.00
0.00
A

ATOM
777
CA
ALA
86
27.012
46.588
18.385
1.00
48.58
A

ATOM
778
CB
ALA
86
26.001
47.069
17.376
1.00
49.64
A

ATOM
779
C
ALA
86
26.368
46.483
19.749
1.00
49.30
A

ATOM
780
O
ALA
86
26.564
47.351
20.600
1.00
52.84
A

ATOM
781
N
LYS
87
25.649
45.392
19.988
1.00
47.54
A

ATOM
782
H
LYS
87
25.536
44.708
19.293
0.00
0.00
A

ATOM
783
CA
LYS
87
25.019
45.214
21.283
1.00
46.71
A

ATOM
784
CB
LYS
87
24.063
44.021
21.270
1.00
47.13
A

ATOM
785
CG
LYS
87
22.912
44.155
22.267
1.00
49.79
A

ATOM
786
CD
LYS
87
22.104
42.853
22.445
1.00
51.88
A

ATOM
787
CE
LYS
87
21.010
42.981
23.531
1.00
50.36
A

ATOM
788
NZ
LYS
87
20.829
41.733
24.325
1.00
47.38
A

ATOM
789
HZ1
LYS
87
20.124
41.875
25.096
0.00
0.00
A

ATOM
790
HZ2
LYS
87
21.715
41.481
24.811
0.00
0.00
A

ATOM
791
HZ3
LYS
87
20.540
40.939
23.728
0.00
0.00
A

ATOM
792
C
LYS
87
26.123
45.031
22.332
1.00
47.40
A

ATOM
793
O
LYS
87
25.847
44.756
23.495
1.00
48.61
A

ATOM
794
N
GLY
88
27.375
45.150
21.902
1.00
47.77
A

ATOM
795
H
GLY
88
27.621
45.274
20.981
0.00
0.00
A

ATOM
796
CA
GLY
88
28.497
45.028
22.806
1.00
52.16
A

ATOM
797
C
GLY
88
28.976
43.625
23.155
1.00
55.12
A

ATOM
798
O
GLY
88
29.582
43.427
24.219
1.00
57.62
A

ATOM
799
N
TYR
89
28.720
42.642
22.295
1.00
55.10
A

ATOM
800
H
TYR
89
28.246
42.832
21.459
0.00
0.00
A

ATOM
801
CA
TYR
89
29.178
41.284
22.589
1.00
52.66
A

ATOM
802
CB
TYR
89
28.057
40.249
22.386
1.00
50.97
A

ATOM
803
CG
TYR
89
26.827
40.439
23.261
1.00
48.53
A

ATOM
804
CD1
TYR
89
25.639
40.934
22.723
1.00
48.39
A

ATOM
805
CE1
TYR
89
24.495
41.091
23.503
1.00
46.87
A

ATOM
806
CD2
TYR
89
26.841
40.107
24.614
1.00
48.16
A

ATOM
807
CE2
TYR
89
25.690
40.266
25.413
1.00
49.29
A

ATOM
808
CZ
TYR
89
24.521
40.761
24.843
1.00
49.10
A

ATOM
809
OH
TYR
89
23.382
40.955
25.606
1.00
50.09
A

ATOM
810
HH
TYR
89
23.603
40.837
26.537
0.00
0.00
A

ATOM
811
C
TYR
89
30.385
40.940
21.721
1.00
51.44
A

ATOM
812
O
TYR
89
30.676
41.627
20.740
1.00
51.77
A

ATOM
813
N
THR
90
31.114
39.910
22.126
1.00
50.40
A

ATOM
814
H
THR
90
30.891
39.457
22.965
0.00
0.00
A

ATOM
815
CA
THR
90
32.280
39.443
21.394
1.00
51.69
A

ATOM
816
CB
THR
90
33.564
39.962
21.999
1.00
53.08
A

ATOM
817
OG1
THR
90
33.507
39.817
23.422
1.00
56.38
A

ATOM
818
HG1
THR
90
32.785
40.345
23.783
0.00
0.00
A

ATOM
819
CG2
THR
90
33.742
41.406
21.648
1.00
56.98
A

ATOM
820
C
THR
90
32.288
37.932
21.453
1.00
50.53
A

ATOM
821
O
THR
90
31.923
37.336
22.477
1.00
49.59
A

ATOM
822
N
LEU
91
32.738
37.322
20.362
1.00
48.12
A

ATOM
823
H
LEU
91
33.083
37.857
19.619
0.00
0.00
A

ATOM
824
CA
LEU
91
32.754
35.873
20.241
1.00
44.77
A

ATOM
825
CB
LEU
91
33.167
35.463
18.836
1.00
40.48
A

ATOM
826
CG
LEU
91
32.735
34.053
18.486
1.00
38.36
A

ATOM
827
CD1
LEU
91
31.240
34.027
18.311
1.00
41.67
A

ATOM
828
CD2
LEU
91
33.391
33.647
17.211
1.00
39.76
A

ATOM
829
C
LEU
91
33.562
35.089
21.263
1.00
43.74
A

ATOM
830
O
LEU
91
34.758
35.300
21.445
1.00
44.61
A

ATOM
831
N
GLY
92
32.863
34.215
21.969
1.00
43.20
A

ATOM
832
H
GLY
92
31.900
34.176
21.829
0.00
0.00
A

ATOM
833
CA
GLY
92
33.508
33.359
22.939
1.00
42.61
A

ATOM
834
C
GLY
92
34.012
32.235
22.070
1.00
41.85
A

ATOM
835
O
GLY
92
35.211
31.998
22.000
1.00
46.57
A

ATOM
836
N
ASN
93
33.082
31.573
21.384
1.00
37.54
A

ATOM
837
H
ASN
93
32.140
31.840
21.477
0.00
0.00
A

ATOM
838
CA
ASN
93
33.377
30.479
20.458
1.00
32.87
A

ATOM
839
CB
ASN
93
34.188
29.379
21.109
1.00
30.40
A

ATOM
840
CG
ASN
93
33.424
28.681
22.180
1.00
31.60
A

ATOM
841
OD1
ASN
93
33.347
27.461
22.198
1.00
30.63
A

ATOM
842
ND2
ASN
93
32.836
29.452
23.090
1.00
33.68
A

ATOM
843
HD21
ASN
93
32.936
30.415
23.047
0.00
0.00
A

ATOM
844
HD22
ASN
93
32.317
29.002
23.781
0.00
0.00
A

ATOM
845
C
ASN
93
32.063
29.889
20.002
1.00
31.30
A

ATOM
846
O
ASN
93
31.026
30.080
20.644
1.00
30.67
A

ATOM
847
N
VAL
94
32.114
29.170
18.892
1.00
29.84
A

ATOM
848
H
VAL
94
32.974
29.020
18.438
0.00
0.00
A

ATOM
849
CA
VAL
94
30.936
28.547
18.326
1.00
28.71
A

ATOM
850
CB
VAL
94
30.491
29.262
17.041
1.00
26.56
A

ATOM
851
CG1
VAL
94
30.169
30.708
17.332
1.00
27.50
A

ATOM
852
CG2
VAL
94
31.576
29.185
15.998
1.00
27.05
A

ATOM
853
C
VAL
94
31.259
27.100
17.990
1.00
29.69
A

ATOM
854
O
VAL
94
32.422
26.749
17.732
1.00
31.55
A

ATOM
855
N
ASP
95
30.231
26.261
18.038
1.00
29.21
A

ATOM
856
H
ASP
95
29.341
26.584
18.288
0.00
0.00
A

ATOM
857
CA
ASP
95
30.358
24.853
17.717
1.00
25.98
A

ATOM
858
CB
ASP
95
30.364
23.993
18.975
1.00
26.33
A

ATOM
859
CG
ASP
95
30.752
22.560
18.688
1.00
29.22
A

ATOM
860
OD1
ASP
95
31.043
21.793
19.627
1.00
31.70
A

ATOM
861
OD2
ASP
95
30.770
22.171
17.510
1.00
31.46
A

ATOM
862
C
ASP
95
29.150
24.511
16.872
1.00
25.28
A

ATOM
863
O
ASP
95
28.003
24.781
17.271
1.00
26.63
A

ATOM
864
N
VAL
96
29.414
23.948
15.699
1.00
21.48
A

ATOM
865
H
VAL
96
30.347
23.732
15.502
0.00
0.00
A

ATOM
866
CA
VAL
96
28.370
23.571
14.764
1.00
20.69
A

ATOM
867
CB
VAL
96
28.559
24.315
13.438
1.00
17.65
A

ATOM
868
CG1
VAL
96
27.429
23.976
12.457
1.00
14.81
A

ATOM
869
CG2
VAL
96
28.618
25.800
13.700
1.00
14.55
A

ATOM
870
C
VAL
96
28.370
22.062
14.511
1.00
22.28
A

ATOM
871
O
VAL
96
29.417
21.446
14.312
1.00
23.85
A

ATOM
872
N
THR
97
27.195
21.459
14.520
1.00
22.37
A

ATOM
873
H
THR
97
26.385
21.977
14.662
0.00
0.00
A

ATOM
874
CA
THR
97
27.090
20.036
14.277
1.00
24.11
A

ATOM
875
CB
THR
97
26.451
19.342
15.463
1.00
23.64
A

ATOM
876
OG1
THR
97
27.254
19.560
16.624
1.00
28.34
A

ATOM
877
HG1
THR
97
28.136
19.404
16.269
0.00
0.00
A

ATOM
878
CG2
THR
97
26.341
17.877
15.214
1.00
22.64
A

ATOM
879
C
THR
97
26.184
19.858
13.075
1.00
26.92
A

ATOM
880
O
THR
97
25.045
20.330
13.085
1.00
30.16
A

ATOM
881
N
ILE
98
26.702
19.239
12.020
1.00
28.47
A

ATOM
882
H
ILE
98
27.629
18.923
12.043
0.00
0.00
A

ATOM
883
CA
ILE
98
25.916
18.997
10.810
1.00
27.52
A

ATOM
884
CB
ILE
98
26.772
19.065
9.561
1.00
24.94
A

ATOM
885
CG2
ILE
98
25.912
18.830
8.338
1.00
23.03
A

ATOM
886
CG1
ILE
98
27.463
20.418
9.490
1.00
24.43
A

ATOM
887
CD1
ILE
98
28.555
20.465
8.482
1.00
26.74
A

ATOM
888
C
ILE
98
25.376
17.593
10.899
1.00
28.50
A

ATOM
889
O
ILE
98
26.138
16.641
11.069
1.00
32.70
A

ATOM
890
N
ILE
99
24.066
17.454
10.835
1.00
26.36
A

ATOM
891
H
ILE
99
23.476
18.224
10.687
0.00
0.00
A

ATOM
892
CA
ILE
99
23.477
16.130
10.905
1.00
23.28
A

ATOM
893
CB
ILE
99
22.292
16.089
11.863
1.00
20.87
A

ATOM
894
CG2
ILE
99
21.782
14.676
11.983
1.00
19.16
A

ATOM
895
CG1
ILE
99
22.736
16.586
13.230
1.00
19.32
A

ATOM
896
CD1
ILE
99
21.613
16.952
14.126
1.00
18.53
A

ATOM
897
C
ILE
99
23.017
15.862
9.499
1.00
22.56
A

ATOM
898
O
ILE
99
21.967
16.331
9.088
1.00
23.50
A

ATOM
899
N
ALA
100
23.840
15.162
8.740
1.00
22.47
A

ATOM
900
H
ALA
100
24.678
14.819
9.121
0.00
0.00
A

ATOM
901
CA
ALA
100
23.515
14.861
7.364
1.00
24.34
A

ATOM
902
CB
ALA
100
24.115
15.917
6.455
1.00
24.86
A

ATOM
903
C
ALA
100
24.054
13.484
7.027
1.00
26.12
A

ATOM
904
O
ALA
100
25.068
13.067
7.570
1.00
25.13
A

ATOM
905
N
GLN
101
23.328
12.750
6.190
1.00
30.20
A

ATOM
906
H
GLN
101
22.495
13.128
5.836
0.00
0.00
A

ATOM
907
CA
GLN
101
23.743
11.403
5.794
1.00
32.72
A

ATOM
908
CB
GLN
101
22.543
10.593
5.302
1.00
36.25
A

ATOM
909
CG
GLN
101
22.812
9.113
5.111
1.00
37.82
A

ATOM
910
CD
GLN
101
22.853
8.372
6.419
1.00
41.25
A

ATOM
911
OE1
GLN
101
23.512
7.344
6.538
1.00
44.59
A

ATOM
912
NE2
GLN
101
22.129
8.877
7.415
1.00
41.70
A

ATOM
913
HE21
GLN
101
21.571
9.668
7.268
0.00
0.00
A

ATOM
914
HE22
GLN
101
22.208
8.420
8.271
0.00
0.00
A

ATOM
915
C
GLN
101
24.732
11.538
4.661
1.00
32.61
A

ATOM
916
O
GLN
101
25.614
10.699
4.491
1.00
32.65
A

ATOM
917
N
ALA
102
24.528
12.575
3.855
1.00
31.25
A

ATOM
918
H
ALA
102
23.781
13.194
3.998
0.00
0.00
A

ATOM
919
CA
ALA
102
25.381
12.854
2.717
1.00
30.26
A

ATOM
920
CB
ALA
102
25.123
11.858
1.638
1.00
31.87
A

ATOM
921
C
ALA
102
25.056
14.246
2.215
1.00
30.69
A

ATOM
922
O
ALA
102
23.915
14.689
2.322
1.00
33.23
A

ATOM
923
N
PRO
103
26.013
14.897
1.540
1.00
29.49
A

ATOM
924
CD
PRO
103
25.786
16.217
0.934
1.00
27.63
A

ATOM
925
CA
PRO
103
27.359
14.405
1.223
1.00
29.62
A

ATOM
926
CB
PRO
103
27.785
15.321
0.089
1.00
27.24
A

ATOM
927
CG
PRO
103
27.166
16.596
0.476
1.00
27.65
A

ATOM
928
C
PRO
103
28.351
14.441
2.387
1.00
31.08
A

ATOM
929
O
PRO
103
28.035
14.923
3.476
1.00
34.18
A

ATOM
930
N
LYS
104
29.548
13.913
2.149
1.00
31.23
A

ATOM
931
H
LYS
104
29.737
13.555
1.260
0.00
0.00
A

ATOM
932
CA
LYS
104
30.600
13.868
3.160
1.00
30.55
A

ATOM
933
CB
LYS
104
31.747
13.005
2.647
1.00
32.11
A

ATOM
934
CG
LYS
104
32.732
12.586
3.710
1.00
39.62
A

ATOM
935
CD
LYS
104
32.126
11.534
4.617
1.00
47.76
A

ATOM
936
CE
LYS
104
33.138
10.969
5.605
1.00
51.39
A

ATOM
937
NZ
LYS
104
32.555
9.780
6.303
1.00
58.65
A

ATOM
938
HZ1
LYS
104
32.310
9.059
5.593
0.00
0.00
A

ATOM
939
HZ2
LYS
104
31.692
10.041
6.822
0.00
0.00
A

ATOM
940
HZ3
LYS
104
33.237
9.373
6.976
0.00
0.00
A

ATOM
941
C
LYS
104
31.118
15.274
3.521
1.00
30.70
A

ATOM
942
O
LYS
104
31.940
15.856
2.804
1.00
33.15
A

ATOM
943
N
MET
105
30.641
15.810
4.636
1.00
27.17
A

ATOM
944
H
MET
105
29.957
15.309
5.127
0.00
0.00
A

ATOM
945
CA
MET
105
31.038
17.131
5.077
1.00
23.11
A

ATOM
946
CB
MET
105
30.221
17.522
6.287
1.00
20.55
A

ATOM
947
CG
MET
105
28.752
17.435
6.040
1.00
20.86
A

ATOM
948
SD
MET
105
28.348
18.475
4.664
1.00
24.64
A

ATOM
949
CE
MET
105
26.592
18.112
4.428
1.00
25.36
A

ATOM
950
C
MET
105
32.498
17.220
5.442
1.00
24.75
A

ATOM
951
O
MET
105
33.165
18.190
5.112
1.00
26.42
A

ATOM
952
N
LEU
106
33.012
16.164
6.045
1.00
26.60
A

ATOM
953
H
LEU
106
32.428
15.424
6.141
0.00
0.00
A

ATOM
954
CA
LEU
106
34.384
16.131
6.530
1.00
30.92
A

ATOM
955
CB
LEU
106
34.840
14.710
6.830
1.00
33.23
A

ATOM
956
CG
LEU
106
36.193
14.730
7.550
1.00
35.71
A

ATOM
957
CD1
LEU
106
36.080
15.518
8.860
1.00
34.86
A

ATOM
958
CD2
LEU
106
36.661
13.316
7.817
1.00
39.13
A

ATOM
959
C
LEU
106
35.502
16.878
5.815
1.00
33.00
A

ATOM
960
O
LEU
106
36.145
17.730
6.415
1.00
34.83
A

ATOM
961
N
PRO
107
35.783
16.551
4.550
1.00
34.66
A

ATOM
962
CD
PRO
107
35.070
15.630
3.653
1.00
35.54
A

ATOM
963
CA
PRO
107
36.860
17.245
3.830
1.00
34.02
A

ATOM
964
CB
PRO
107
36.856
16.551
2.475
1.00
33.94
A

ATOM
965
CG
PRO
107
35.418
16.196
2.296
1.00
35.46
A

ATOM
966
C
PRO
107
36.682
18.750
3.654
1.00
34.13
A

ATOM
967
O
PRO
107
37.658
19.471
3.440
1.00
35.83
A

ATOM
968
N
HIS
108
35.445
19.228
3.729
1.00
32.20
A

ATOM
969
H
HIS
108
34.708
18.628
3.974
0.00
0.00
A

ATOM
970
CA
HIS
108
35.186
20.648
3.539
1.00
32.18
A

ATOM
971
CB
HIS
108
33.823
20.831
2.899
1.00
29.32
A

ATOM
972
CG
HIS
108
33.598
19.930
1.737
1.00
30.49
A

ATOM
973
CD2
HIS
108
32.999
18.719
1.654
1.00
32.25
A

ATOM
974
ND1
HIS
108
34.077
20.210
0.477
1.00
32.65
A

ATOM
975
HD1
HIS
108
34.500
21.047
0.187
0.00
0.00
A

ATOM
976
CE1
HIS
108
33.789
19.205
−0.333
1.00
33.70
A

ATOM
977
NE2
HIS
108
33.135
18.287
0.357
1.00
33.09
A

ATOM
978
HE2
HIS
108
32.792
17.434
0.009
0.00
0.00
A

ATOM
979
C
HIS
108
35.255
21.453
4.822
1.00
32.37
A

ATOM
980
O
HIS
108
35.450
22.665
4.802
1.00
35.13
A

ATOM
981
N
ILE
109
35.165
20.769
5.946
1.00
30.80
A

ATOM
982
H
ILE
109
35.109
19.791
5.914
0.00
0.00
A

ATOM
983
CA
ILE
109
35.169
21.441
7.223
1.00
28.67
A

ATOM
984
CB
ILE
109
35.079
20.428
8.358
1.00
25.44
A

ATOM
985
CG2
ILE
109
35.055
21.141
9.682
1.00
24.26
A

ATOM
986
CG1
ILE
109
33.800
19.595
8.170
1.00
23.97
A

ATOM
987
CD1
ILE
109
33.542
18.564
9.221
1.00
21.85
A

ATOM
988
C
ILE
109
36.221
22.524
7.476
1.00
31.02
A

ATOM
989
O
ILE
109
35.858
23.625
7.868
1.00
34.59
A

ATOM
990
N
PRO
110
37.508
22.285
7.157
1.00
31.82
A

ATOM
991
CD
PRO
110
38.108
21.141
6.464
1.00
33.75
A

ATOM
992
CA
PRO
110
38.532
23.318
7.398
1.00
32.00
A

ATOM
993
CB
PRO
110
39.808
22.675
6.868
1.00
31.54
A

ATOM
994
CG
PRO
110
39.527
21.221
6.952
1.00
34.69
A

ATOM
995
C
PRO
110
38.242
24.608
6.641
1.00
31.15
A

ATOM
996
O
PRO
110
38.387
25.710
7.179
1.00
30.73
A

ATOM
997
N
GLN
111
37.861
24.469
5.378
1.00
29.83
A

ATOM
998
H
GLN
111
37.780
23.576
4.984
0.00
0.00
A

ATOM
999
CA
GLN
111
37.531
25.636
4.585
1.00
29.52
A

ATOM
1000
CB
GLN
111
37.184
25.221
3.166
1.00
27.95
A

ATOM
1001
CG
GLN
111
36.951
26.377
2.247
1.00
26.61
A

ATOM
1002
CD
GLN
111
38.113
27.314
2.235
1.00
26.95
A

ATOM
1003
OE1
GLN
111
37.945
28.506
2.399
1.00
31.59
A

ATOM
1004
NE2
GLN
111
39.309
26.780
2.081
1.00
28.41
A

ATOM
1005
HE21
GLN
111
39.362
25.808
2.012
0.00
0.00
A

ATOM
1006
HE22
GLN
111
40.046
27.428
2.045
0.00
0.00
A

ATOM
1007
C
GLN
111
36.348
26.360
5.238
1.00
31.21
A

ATOM
1008
O
GLN
111
36.301
27.589
5.241
1.00
34.73
A

ATOM
1009
N
MET
112
35.415
25.595
5.811
1.00
30.63
A

ATOM
1010
H
MET
112
35.502
24.621
5.771
0.00
0.00
A

ATOM
1011
CA
MET
112
34.248
26.160
6.487
1.00
29.57
A

ATOM
1012
CB
MET
112
33.338
25.064
7.035
1.00
29.32
A

ATOM
1013
CG
MET
112
32.466
24.379
6.023
1.00
29.15
A

ATOM
1014
SD
MET
112
31.270
23.304
6.822
1.00
28.95
A

ATOM
1015
CE
MET
112
31.593
21.844
5.973
1.00
28.88
A

ATOM
1016
C
MET
112
34.742
26.983
7.655
1.00
29.94
A

ATOM
1017
O
MET
112
34.348
28.136
7.833
1.00
28.77
A

ATOM
1018
N
ARG
113
35.629
26.385
8.444
1.00
29.79
A

ATOM
1019
H
ARG
113
35.903
25.477
8.220
0.00
0.00
A

ATOM
1020
CA
ARG
113
36.184
27.066
9.603
1.00
31.35
A

ATOM
1021
CB
ARG
113
37.147
26.168
10.365
1.00
26.63
A

ATOM
1022
CG
ARG
113
36.504
24.924
10.854
1.00
26.05
A

ATOM
1023
CD
ARG
113
37.494
24.063
11.574
1.00
28.17
A

ATOM
1024
NE
ARG
113
37.869
24.664
12.841
1.00
29.99
A

ATOM
1025
HE
ARG
113
37.174
25.212
13.261
0.00
0.00
A

ATOM
1026
CZ
ARG
113
39.058
24.511
13.409
1.00
33.94
A

ATOM
1027
NH1
ARG
113
39.313
25.096
14.570
1.00
35.54
A

ATOM
1028
HH11
ARG
113
38.591
25.682
14.975
0.00
0.00
A

ATOM
1029
HH12
ARG
113
40.169
25.023
15.081
0.00
0.00
A

ATOM
1030
NH2
ARG
113
40.005
23.804
12.797
1.00
37.16
A

ATOM
1031
HH21
ARG
113
39.804
23.364
11.923
0.00
0.00
A

ATOM
1032
HH22
ARG
113
40.895
23.648
13.225
0.00
0.00
A

ATOM
1033
C
ARG
113
36.879
28.340
9.160
1.00
32.51
A

ATOM
1034
O
ARG
113
36.861
29.340
9.870
1.00
34.70
A

ATOM
1035
N
VAL
114
37.457
28.323
7.970
1.00
32.05
A

ATOM
1036
H
VAL
114
37.453
27.508
7.430
0.00
0.00
A

ATOM
1037
CA
VAL
114
38.114
29.513
7.471
1.00
33.20
A

ATOM
1038
CB
VAL
114
38.882
29.211
6.214
1.00
35.24
A

ATOM
1039
CG1
VAL
114
39.283
30.505
5.527
1.00
36.47
A

ATOM
1040
CG2
VAL
114
40.099
28.370
6.573
1.00
39.01
A

ATOM
1041
C
VAL
114
37.089
30.598
7.185
1.00
31.95
A

ATOM
1042
O
VAL
114
37.251
31.743
7.599
1.00
31.85
A

ATOM
1043
N
PHE
115
36.021
30.215
6.503
1.00
29.67
A

ATOM
1044
H
PHE
115
35.953
29.278
6.215
0.00
0.00
A

ATOM
1045
CA
PHE
115
34.959
31.140
6.165
1.00
29.11
A

ATOM
1046
CB
PHE
115
33.934
30.432
5.305
1.00
26.27
A

ATOM
1047
CG
PHE
115
34.351
30.262
3.894
1.00
25.94
A

ATOM
1048
CD1
PHE
115
33.697
29.361
3.076
1.00
25.63
A

ATOM
1049
CD2
PHE
115
35.351
31.049
3.356
1.00
26.42
A

ATOM
1050
CE1
PHE
115
34.027
29.256
1.745
1.00
26.24
A

ATOM
1051
CE2
PHE
115
35.687
30.948
2.022
1.00
27.52
A

ATOM
1052
CZ
PHE
115
35.021
30.049
1.216
1.00
26.42
A

ATOM
1053
C
PHE
115
34.249
31.701
7.383
1.00
31.12
A

ATOM
1054
O
PHE
115
33.966
32.900
7.464
1.00
31.91
A

ATOM
1055
N
ILE
116
33.954
30.827
8.333
1.00
31.88
A

ATOM
1056
H
ILE
116
34.229
29.901
8.225
0.00
0.00
A

ATOM
1057
CA
ILE
116
33.236
31.237
9.520
1.00
31.22
A

ATOM
1058
CB
ILE
116
32.717
30.029
10.283
1.00
27.39
A

ATOM
1059
CG2
ILE
116
32.012
30.477
11.539
1.00
26.34
A

ATOM
1060
CG1
ILE
116
31.756
29.252
9.379
1.00
26.71
A

ATOM
1061
CD1
ILE
116
31.384
27.882
9.877
1.00
27.87
A

ATOM
1062
C
ILE
116
34.067
32.122
10.412
1.00
33.95
A

ATOM
1063
O
ILE
116
33.584
33.141
10.894
1.00
35.42
A

ATOM
1064
N
ALA
117
35.332
31.764
10.591
1.00
37.02
A

ATOM
1065
H
ALA
117
35.689
30.965
10.149
0.00
0.00
A

ATOM
1066
CA
ALA
117
36.226
32.543
11.445
1.00
38.79
A

ATOM
1067
CB
ALA
117
37.526
31.814
11.671
1.00
38.83
A

ATOM
1068
C
ALA
117
36.485
33.900
10.840
1.00
39.68
A

ATOM
1069
O
ALA
117
36.752
34.863
11.553
1.00
40.73
A

ATOM
1070
N
GLU
118
36.443
33.967
9.517
1.00
42.66
A

ATOM
1071
H
GLU
118
36.327
33.160
8.974
0.00
0.00
A

ATOM
1072
CA
GLU
118
36.637
35.238
8.839
1.00
45.20
A

ATOM
1073
CB
GLU
118
36.726
35.067
7.319
1.00
50.39
A

ATOM
1074
CG
GLU
118
38.042
34.483
6.820
1.00
57.15
A

ATOM
1075
CD
GLU
118
38.282
34.755
5.343
1.00
61.48
A

ATOM
1076
OE1
GLU
118
39.442
34.557
4.918
1.00
63.37
A

ATOM
1077
OE2
GLU
118
37.329
35.169
4.616
1.00
62.08
A

ATOM
1078
C
GLU
118
35.436
36.087
9.167
1.00
42.71
A

ATOM
1079
O
GLU
118
35.557
37.101
9.844
1.00
42.34
A

ATOM
1080
N
ASP
119
34.269
35.617
8.745
1.00
41.12
A

ATOM
1081
H
ASP
119
34.224
34.776
8.240
0.00
0.00
A

ATOM
1082
CA
ASP
119
33.026
36.324
8.976
1.00
41.07
A

ATOM
1083
CB
ASP
119
31.858
35.423
8.611
1.00
39.39
A

ATOM
1084
CG
ASP
119
31.783
35.145
7.139
1.00
39.80
A

ATOM
1085
OD1
ASP
119
30.943
34.318
6.745
1.00
42.66
A

ATOM
1086
OD2
ASP
119
32.545
35.754
6.361
1.00
40.36
A

ATOM
1087
C
ASP
119
32.875
36.845
10.408
1.00
42.19
A

ATOM
1088
O
ASP
119
32.472
37.995
10.620
1.00
43.47
A

ATOM
1089
N
LEU
120
33.216
36.008
11.383
1.00
42.63
A

ATOM
1090
H
LEU
120
33.516
35.114
11.121
0.00
0.00
A

ATOM
1091
CA
LEU
120
33.120
36.377
12.788
1.00
42.88
A

ATOM
1092
CB
LEU
120
32.993
35.121
13.637
1.00
41.15
A

ATOM
1093
CG
LEU
120
31.785
34.289
13.225
1.00
39.92
A

ATOM
1094
CD1
LEU
120
31.668
33.041
14.067
1.00
40.97
A

ATOM
1095
CD2
LEU
120
30.560
35.136
13.365
1.00
39.73
A

ATOM
1096
C
LEU
120
34.324
37.201
13.237
1.00
45.85
A

ATOM
1097
O
LEU
120
34.260
37.928
14.231
1.00
47.14
A

ATOM
1098
N
GLY
121
35.421
37.084
12.500
1.00
47.34
A

ATOM
1099
H
GLY
121
35.436
36.498
11.719
0.00
0.00
A

ATOM
1100
CA
GLY
121
36.621
37.827
12.829
1.00
49.33
A

ATOM
1101
C
GLY
121
37.319
37.290
14.058
1.00
50.68
A

ATOM
1102
O
GLY
121
37.770
38.058
14.909
1.00
53.99
A

ATOM
1103
N
CYS
122
37.417
35.971
14.149
1.00
50.76
A

ATOM
1104
H
CYS
122
37.094
35.415
13.410
0.00
0.00
A

ATOM
1105
CA
CYS
122
38.065
35.319
15.280
1.00
51.22
A

ATOM
1106
CB
CYS
122
37.057
34.473
16.035
1.00
52.74
A

ATOM
1107
SG
CYS
122
36.242
33.287
14.965
1.00
53.81
A

ATOM
1108
C
CYS
122
39.125
34.419
14.707
1.00
50.42
A

ATOM
1109
O
CYS
122
39.486
34.559
13.545
1.00
49.50
A

ATOM
1110
N
HIS
123
39.643
33.507
15.516
1.00
51.98
A

ATOM
1111
H
HIS
123
39.294
33.376
16.435
0.00
0.00
A

ATOM
1112
CA
HIS
123
40.656
32.591
15.020
1.00
56.96
A

ATOM
1113
CB
HIS
123
41.771
32.355
16.048
1.00
69.26
A

ATOM
1114
CG
HIS
123
42.182
33.586
16.802
1.00
84.01
A

ATOM
1115
CD2
HIS
123
42.592
33.750
18.085
1.00
89.51
A

ATOM
1116
ND1
HIS
123
42.165
34.850
16.243
1.00
90.35
A

ATOM
1117
HD1
HIS
123
41.947
35.077
15.308
0.00
0.00
A

ATOM
1118
CE1
HIS
123
42.541
35.738
17.149
1.00
92.99
A

ATOM
1119
NE2
HIS
123
42.805
35.097
18.275
1.00
94.06
A

ATOM
1120
HE2
HIS
123
43.069
35.512
19.127
0.00
0.00
A

ATOM
1121
C
HIS
123
39.906
31.308
14.805
1.00
52.96
A

ATOM
1122
O
HIS
123
38.875
31.098
15.422
1.00
52.69
A

ATOM
1123
N
MET
124
40.412
30.455
13.925
1.00
49.89
A

ATOM
1124
H
MET
124
41.211
30.696
13.413
0.00
0.00
A

ATOM
1125
CA
MET
124
39.769
29.178
13.662
1.00
47.86
A

ATOM
1126
CB
MET
124
40.640
28.276
12.781
1.00
49.15
A

ATOM
1127
CG
MET
124
40.475
28.448
11.283
1.00
52.46
A

ATOM
1128
SD
MET
124
41.620
27.366
10.393
1.00
58.55
A

ATOM
1129
CE
MET
124
40.527
26.128
9.732
1.00
58.50
A

ATOM
1130
C
MET
124
39.547
28.470
14.975
1.00
46.91
A

ATOM
1131
O
MET
124
38.577
27.744
15.122
1.00
48.89
A

ATOM
1132
N
ASP
125
40.437
28.694
15.936
1.00
45.88
A

ATOM
1133
H
ASP
125
41.185
29.301
15.802
0.00
0.00
A

ATOM
1134
CA
ASP
125
40.335
28.040
17.232
1.00
46.00
A

ATOM
1135
CB
ASP
125
41.573
28.341
18.081
1.00
55.26
A

ATOM
1136
CG
ASP
125
41.897
27.223
19.086
1.00
62.69
A

ATOM
1137
OD1
ASP
125
43.092
26.858
19.200
1.00
66.81
A

ATOM
1138
OD2
ASP
125
40.980
26.700
19.771
1.00
67.20
A

ATOM
1139
C
ASP
125
39.066
28.425
17.983
1.00
42.67
A

ATOM
1140
O
ASP
125
38.779
27.895
19.041
1.00
40.92
A

ATOM
1141
N
ASP
126
38.296
29.346
17.440
1.00
41.20
A

ATOM
1142
H
ASP
126
38.536
29.812
16.635
0.00
0.00
A

ATOM
1143
CA
ASP
126
37.063
29.725
18.090
1.00
40.27
A

ATOM
1144
CB
ASP
126
37.004
31.229
18.281
1.00
43.61
A

ATOM
1145
CG
ASP
126
38.161
31.746
19.094
1.00
47.71
A

ATOM
1146
OD1
ASP
126
38.666
32.845
18.767
1.00
52.25
A

ATOM
1147
OD2
ASP
126
38.594
31.036
20.033
1.00
49.57
A

ATOM
1148
C
ASP
126
35.894
29.247
17.265
1.00
38.35
A

ATOM
1149
O
ASP
126
34.742
29.459
17.621
1.00
42.60
A

ATOM
1150
N
VAL
127
36.182
28.577
16.165
1.00
34.02
A

ATOM
1151
H
VAL
127
37.105
28.423
15.929
0.00
0.00
A

ATOM
1152
CA
VAL
127
35.136
28.069
15.312
1.00
32.29
A

ATOM
1153
CB
VAL
127
35.158
28.760
13.954
1.00
31.30
A

ATOM
1154
CG1
VAL
127
34.239
28.051
12.991
1.00
31.01
A

ATOM
1155
CG2
VAL
127
34.722
30.192
14.108
1.00
33.28
A

ATOM
1156
C
VAL
127
35.353
26.592
15.102
1.00
33.23
A

ATOM
1157
O
VAL
127
36.385
26.190
14.556
1.00
34.57
A

ATOM
1158
N
ASN
128
34.406
25.777
15.556
1.00
32.68
A

ATOM
1159
H
ASN
128
33.621
26.124
16.039
0.00
0.00
A

ATOM
1160
CA
ASN
128
34.504
24.329
15.370
1.00
32.63
A

ATOM
1161
CB
ASN
128
34.710
23.610
16.699
1.00
34.36
A

ATOM
1162
CG
ASN
128
34.891
22.120
16.519
1.00
35.95
A

ATOM
1163
OD1
ASN
128
35.663
21.678
15.669
1.00
37.95
A

ATOM
1164
ND2
ASN
128
34.165
21.336
17.300
1.00
36.62
A

ATOM
1165
HD21
ASN
128
33.548
21.783
17.926
0.00
0.00
A

ATOM
1166
HD22
ASN
128
34.268
20.365
17.213
0.00
0.00
A

ATOM
1167
C
ASN
128
33.264
23.771
14.678
1.00
30.10
A

ATOM
1168
O
ASN
128
32.140
24.114
15.038
1.00
33.07
A

ATOM
1169
N
VAL
129
33.467
22.947
13.661
1.00
25.50
A

ATOM
1170
H
VAL
129
34.372
22.654
13.423
0.00
0.00
A

ATOM
1171
CA
VAL
129
32.357
22.352
12.937
1.00
23.81
A

ATOM
1172
CB
VAL
129
32.326
22.841
11.501
1.00
21.59
A

ATOM
1173
CG1
VAL
129
31.347
22.038
10.681
1.00
22.11
A

ATOM
1174
CG2
VAL
129
31.942
24.278
11.476
1.00
22.98
A

ATOM
1175
C
VAL
129
32.643
20.866
12.967
1.00
25.99
A

ATOM
1176
O
VAL
129
33.803
20.481
13.080
1.00
30.68
A

ATOM
1177
N
LYS
130
31.605
20.036
12.939
1.00
25.04
A

ATOM
1178
H
LYS
130
30.695
20.407
12.893
0.00
0.00
A

ATOM
1179
CA
LYS
130
31.760
18.575
12.970
1.00
25.19
A

ATOM
1180
CB
LYS
130
31.748
18.045
14.412
1.00
23.24
A

ATOM
1181
CG
LYS
130
30.415
18.264
15.129
1.00
24.63
A

ATOM
1182
CD
LYS
130
30.367
17.568
16.484
1.00
26.28
A

ATOM
1183
CE
LYS
130
31.075
18.354
17.574
1.00
25.97
A

ATOM
1184
NZ
LYS
130
30.390
19.643
17.857
1.00
23.43
A

ATOM
1185
HZ1
LYS
130
30.873
20.172
18.622
0.00
0.00
A

ATOM
1186
HZ2
LYS
130
29.423
19.518
18.182
0.00
0.00
A

ATOM
1187
HZ3
LYS
130
30.427
20.348
17.088
0.00
0.00
A

ATOM
1188
C
LYS
130
30.556
18.025
12.236
1.00
26.51
A

ATOM
1189
O
LYS
130
29.576
18.748
12.035
1.00
30.48
A

ATOM
1190
N
ALA
131
30.571
16.749
11.885
1.00
24.63
A

ATOM
1191
H
ALA
131
31.300
16.131
12.143
0.00
0.00
A

ATOM
1192
CA
ALA
131
29.429
16.222
11.166
1.00
24.18
A

ATOM
1193
CB
ALA
131
29.714
16.202
9.689
1.00
24.48
A

ATOM
1194
C
ALA
131
29.012
14.851
11.634
1.00
25.49
A

ATOM
1195
O
ALA
131
29.799
14.123
12.237
1.00
29.99
A

ATOM
1196
N
THR
132
27.766
14.500
11.349
1.00
23.95
A

ATOM
1197
H
THR
132
27.159
15.100
10.875
0.00
0.00
A

ATOM
1198
CA
THR
132
27.267
13.206
11.725
1.00
24.93
A

ATOM
1199
CB
THR
132
26.958
13.140
13.194
1.00
23.27
A

ATOM
1200
OG1
THR
132
26.730
11.767
13.548
1.00
28.28
A

ATOM
1201
HG1
THR
132
26.613
11.665
14.509
0.00
0.00
A

ATOM
1202
CG2
THR
132
25.708
13.957
13.491
1.00
19.02
A

ATOM
1203
C
THR
132
26.000
12.858
10.981
1.00
26.68
A

ATOM
1204
O
THR
132
25.205
13.740
10.643
1.00
24.17
A

ATOM
1205
N
THR
133
25.805
11.558
10.771
1.00
28.97
A

ATOM
1206
H
THR
133
26.450
10.936
11.160
0.00
0.00
A

ATOM
1207
CA
THR
133
24.618
11.050
10.089
1.00
31.70
A

ATOM
1208
CB
THR
133
24.931
9.858
9.150
1.00
34.98
A

ATOM
1209
OG1
THR
133
25.255
8.700
9.929
1.00
35.91
A

ATOM
1210
HG1
THR
133
25.894
8.897
10.623
0.00
0.00
A

ATOM
1211
CG2
THR
133
26.077
10.177
8.206
1.00
37.36
A

ATOM
1212
C
THR
133
23.707
10.503
11.159
1.00
29.57
A

ATOM
1213
O
THR
133
24.138
10.301
12.289
1.00
30.04
A

ATOM
1214
N
THR
134
22.475
10.193
10.782
1.00
29.56
A

ATOM
1215
H
THR
134
22.148
10.375
9.883
0.00
0.00
A

ATOM
1216
CA
THR
134
21.522
9.629
11.725
1.00
32.39
A

ATOM
1217
CB
THR
134
20.217
10.345
11.615
1.00
29.77
A

ATOM
1218
OG1
THR
134
19.933
10.580
10.227
1.00
29.67
A

ATOM
1219
HG1
THR
134
18.966
10.650
10.151
0.00
0.00
A

ATOM
1220
CG2
THR
134
20.316
11.651
12.338
1.00
28.93
A

ATOM
1221
C
THR
134
21.314
8.132
11.487
1.00
35.34
A

ATOM
1222
O
THR
134
20.278
7.568
11.846
1.00
35.23
A

ATOM
1223
N
GLU
135
22.316
7.501
10.878
1.00
37.89
A

ATOM
1224
H
GLU
135
23.146
7.984
10.687
0.00
0.00
A

ATOM
1225
CA
GLU
135
22.301
6.075
10.565
1.00
38.90
A

ATOM
1226
CB
GLU
135
22.469
5.259
11.829
1.00
43.37
A

ATOM
1227
CG
GLU
135
23.687
5.681
12.603
1.00
53.29
A

ATOM
1228
CD
GLU
135
24.484
4.510
13.118
1.00
60.17
A

ATOM
1229
OE1
GLU
135
23.871
3.550
13.675
1.00
63.99
A

ATOM
1230
OE2
GLU
135
25.731
4.559
12.968
1.00
63.92
A

ATOM
1231
C
GLU
135
21.082
5.622
9.786
1.00
37.13
A

ATOM
1232
O
GLU
135
20.268
4.840
10.265
1.00
36.24
A

ATOM
1233
N
LYS
136
20.956
6.159
8.581
1.00
37.21
A

ATOM
1234
H
LYS
136
21.649
6.755
8.246
0.00
0.00
A

ATOM
1235
CA
LYS
136
19.851
5.840
7.701
1.00
38.19
A

ATOM
1236
CB
LYS
136
20.004
4.417
7.195
1.00
43.97
A

ATOM
1237
CG
LYS
136
21.117
4.246
6.170
1.00
50.84
A

ATOM
1238
CD
LYS
136
20.708
4.809
4.812
1.00
57.62
A

ATOM
1239
CE
LYS
136
21.616
4.287
3.690
1.00
64.46
A

ATOM
1240
NZ
LYS
136
21.179
4.747
2.325
1.00
68.05
A

ATOM
1241
HZ1
LYS
136
21.828
4.373
1.606
0.00
0.00
A

ATOM
1242
HZ2
LYS
136
21.209
5.788
2.325
0.00
0.00
A

ATOM
1243
HZ3
LYS
136
20.204
4.434
2.146
0.00
0.00
A

ATOM
1244
C
LYS
136
18.455
6.066
8.287
1.00
36.34
A

ATOM
1245
O
LYS
136
17.459
5.902
7.590
1.00
36.76
A

ATOM
1246
N
LEU
137
18.389
6.471
9.549
1.00
34.04
A

ATOM
1247
H
LEU
137
19.168
6.626
10.108
0.00
0.00
A

ATOM
1248
CA
LEU
137
17.130
6.749
10.220
1.00
32.46
A

ATOM
1249
CB
LEU
137
17.298
6.536
11.725
1.00
29.77
A

ATOM
1250
CG
LEU
137
17.472
5.118
12.218
1.00
26.07
A

ATOM
1251
CD1
LEU
137
17.837
5.087
13.671
1.00
25.48
A

ATOM
1252
CD2
LEU
137
16.172
4.435
11.998
1.00
29.83
A

ATOM
1253
C
LEU
137
16.733
8.211
9.977
1.00
33.45
A

ATOM
1254
O
LEU
137
17.601
9.091
9.829
1.00
33.81
A

ATOM
1255
N
GLY
138
15.429
8.477
9.945
1.00
31.58
A

ATOM
1256
H
GLY
138
14.825
7.716
10.041
0.00
0.00
A

ATOM
1257
CA
GLY
138
14.959
9.848
9.760
1.00
32.69
A

ATOM
1258
C
GLY
138
15.041
10.489
8.379
1.00
32.55
A

ATOM
1259
O
GLY
138
15.660
9.947
7.470
1.00
34.54
A

ATOM
1260
N
PHE
139
14.427
11.661
8.217
1.00
30.47
A

ATOM
1261
H
PHE
139
14.001
12.101
8.980
0.00
0.00
A

ATOM
1262
CA
PHE
139
14.439
12.321
6.922
1.00
28.24
A

ATOM
1263
CB
PHE
139
13.625
13.611
6.937
1.00
29.92
A

ATOM
1264
CG
PHE
139
14.272
14.750
7.671
1.00
30.30
A

ATOM
1265
CD1
PHE
139
15.145
15.610
7.015
1.00
32.38
A

ATOM
1266
CD2
PHE
139
13.930
15.029
8.981
1.00
27.03
A

ATOM
1267
CE1
PHE
139
15.657
16.738
7.660
1.00
32.69
A

ATOM
1268
CE2
PHE
139
14.440
16.157
9.632
1.00
27.75
A

ATOM
1269
CZ
PHE
139
15.299
17.011
8.972
1.00
28.69
A

ATOM
1270
C
PHE
139
15.864
12.578
6.538
1.00
26.96
A

ATOM
1271
O
PHE
139
16.224
12.535
5.373
1.00
27.75
A

ATOM
1272
N
THR
140
16.686
12.843
7.533
1.00
26.50
A

ATOM
1273
H
THR
140
16.397
12.902
8.462
0.00
0.00
A

ATOM
1274
CA
THR
140
18.079
13.053
7.255
1.00
27.88
A

ATOM
1275
CB
THR
140
18.824
13.538
8.485
1.00
25.49
A

ATOM
1276
OG1
THR
140
18.526
12.673
9.589
1.00
27.21
A

ATOM
1277
HG1
THR
140
19.089
12.959
10.318
0.00
0.00
A

ATOM
1278
CG2
THR
140
18.407
14.945
8.802
1.00
21.70
A

ATOM
1279
C
THR
140
18.636
11.709
6.790
1.00
29.66
A

ATOM
1280
O
THR
140
19.245
11.631
5.724
1.00
31.62
A

ATOM
1281
N
GLY
141
18.364
10.647
7.547
1.00
29.52
A

ATOM
1282
H
GLY
141
17.842
10.740
8.369
0.00
0.00
A

ATOM
1283
CA
GLY
141
18.859
9.325
7.183
1.00
29.39
A

ATOM
1284
C
GLY
141
18.306
8.789
5.875
1.00
29.19
A

ATOM
1285
O
GLY
141
18.944
8.005
5.169
1.00
29.87
A

ATOM
1286
N
ARG
142
17.122
9.250
5.526
1.00
28.91
A

ATOM
1287
H
ARG
142
16.716
9.949
6.050
0.00
0.00
A

ATOM
1288
CA
ARG
142
16.502
8.811
4.310
1.00
31.05
A

ATOM
1289
CB
ARG
142
14.991
8.924
4.409
1.00
32.49
A

ATOM
1290
CG
ARG
142
14.393
7.833
5.241
1.00
40.09
A

ATOM
1291
CD
ARG
142
12.953
7.628
4.872
1.00
45.98
A

ATOM
1292
NE
ARG
142
12.243
8.877
5.024
1.00
48.56
A

ATOM
1293
HE
ARG
142
11.952
9.317
4.186
0.00
0.00
A

ATOM
1294
CZ
ARG
142
12.001
9.435
6.197
1.00
51.06
A

ATOM
1295
NH1
ARG
142
11.359
10.587
6.251
1.00
55.42
A

ATOM
1296
HH11
ARG
142
11.104
11.030
5.363
0.00
0.00
A

ATOM
1297
HH12
ARG
142
11.148
11.108
7.060
0.00
0.00
A

ATOM
1298
NH2
ARG
142
12.385
8.828
7.313
1.00
53.05
A

ATOM
1299
HH21
ARG
142
12.860
7.946
7.240
0.00
0.00
A

ATOM
1300
HH22
ARG
142
12.222
9.209
8.214
0.00
0.00
A

ATOM
1301
C
ARG
142
17.010
9.627
3.157
1.00
31.23
A

ATOM
1302
O
ARG
142
16.739
9.319
2.008
1.00
35.42
A

ATOM
1303
N
GLY
143
17.731
10.689
3.456
1.00
31.07
A

ATOM
1304
H
GLY
143
17.921
10.928
4.385
0.00
0.00
A

ATOM
1305
CA
GLY
143
18.258
11.510
2.387
1.00
31.85
A

ATOM
1306
C
GLY
143
17.245
12.524
1.926
1.00
30.82
A

ATOM
1307
O
GLY
143
17.383
13.108
0.843
1.00
32.95
A

ATOM
1308
N
GLU
144
16.235
12.742
2.755
1.00
29.61
A

ATOM
1309
H
GLU
144
16.167
12.216
3.569
0.00
0.00
A

ATOM
1310
CA
GLU
144
15.197
13.699
2.447
1.00
30.32
A

ATOM
1311
CB
GLU
144
13.966
13.440
3.296
1.00
30.40
A

ATOM
1312
CG
GLU
144
13.501
12.007
3.201
1.00
37.30
A

ATOM
1313
CD
GLU
144
12.065
11.812
3.617
1.00
42.14
A

ATOM
1314
OE1
GLU
144
11.448
10.832
3.141
1.00
43.64
A

ATOM
1315
OE2
GLU
144
11.554
12.606
4.447
1.00
47.15
A

ATOM
1316
C
GLU
144
15.688
15.116
2.641
1.00
31.47
A

ATOM
1317
O
GLU
144
15.199
16.019
1.966
1.00
34.37
A

ATOM
1318
N
GLY
145
16.668
15.315
3.523
1.00
30.95
A

ATOM
1319
H
GLY
145
17.047
14.570
4.037
0.00
0.00
A

ATOM
1320
CA
GLY
145
17.190
16.655
3.756
1.00
31.38
A

ATOM
1321
C
GLY
145
18.351
16.689
4.732
1.00
32.95
A

ATOM
1322
O
GLY
145
18.794
15.629
5.177
1.00
36.40
A

ATOM
1323
N
ILE
146
18.869
17.883
5.037
1.00
31.22
A

ATOM
1324
H
ILE
146
18.475
18.692
4.642
0.00
0.00
A

ATOM
1325
CA
ILE
146
19.985
18.033
5.978
1.00
29.95
A

ATOM
1326
CB
ILE
146
21.189
18.819
5.403
1.00
28.34
A

ATOM
1327
CG2
ILE
146
22.278
18.899
6.427
1.00
29.68
A

ATOM
1328
CG1
ILE
146
21.822
18.129
4.214
1.00
28.92
A

ATOM
1329
CD1
ILE
146
23.089
18.839
3.773
1.00
29.05
A

ATOM
1330
C
ILE
146
19.493
18.888
7.123
1.00
30.40
A

ATOM
1331
O
ILE
146
18.724
19.826
6.907
1.00
35.89
A

ATOM
1332
N
ALA
147
19.970
18.595
8.325
1.00
27.69
A

ATOM
1333
H
ALA
147
20.623
17.869
8.434
0.00
0.00
A

ATOM
1334
CA
ALA
147
19.612
19.347
9.518
1.00
24.71
A

ATOM
1335
CB
ALA
147
18.932
18.441
10.526
1.00
23.96
A

ATOM
1336
C
ALA
147
20.937
19.808
10.065
1.00
23.88
A

ATOM
1337
O
ALA
147
21.981
19.293
9.666
1.00
26.33
A

ATOM
1338
N
CYS
148
20.924
20.771
10.969
1.00
22.21
A

ATOM
1339
H
CYS
148
20.084
21.200
11.241
0.00
0.00
A

ATOM
1340
CA
CYS
148
22.169
21.236
11.549
1.00
22.25
A

ATOM
1341
CB
CYS
148
22.931
22.130
10.590
1.00
24.28
A

ATOM
1342
SG
CYS
148
24.396
22.835
11.338
1.00
32.06
A

ATOM
1343
C
CYS
148
21.893
22.008
12.787
1.00
21.20
A

ATOM
1344
O
CYS
148
20.986
22.834
12.810
1.00
24.56
A

ATOM
1345
N
GLU
149
22.649
21.713
13.830
1.00
20.27
A

ATOM
1346
H
GLU
149
23.365
21.051
13.746
0.00
0.00
A

ATOM
1347
CA
GLU
149
22.502
22.394
15.102
1.00
20.76
A

ATOM
1348
CB
GLU
149
22.368
21.404
16.240
1.00
18.39
A

ATOM
1349
CG
GLU
149
21.017
20.824
16.426
1.00
21.97
A

ATOM
1350
CD
GLU
149
20.883
20.257
17.816
1.00
26.71
A

ATOM
1351
OE1
GLU
149
20.787
21.054
18.769
1.00
23.86
A

ATOM
1352
OE2
GLU
149
20.965
19.023
17.966
1.00
30.52
A

ATOM
1353
C
GLU
149
23.778
23.157
15.321
1.00
21.72
A

ATOM
1354
O
GLU
149
24.803
22.848
14.693
1.00
22.13
A

ATOM
1355
N
ALA
150
23.735
24.112
16.246
1.00
21.15
A

ATOM
1356
H
ALA
150
22.894
24.290
16.720
0.00
0.00
A

ATOM
1357
CA
ALA
150
24.912
24.909
16.576
1.00
21.48
A

ATOM
1358
CB
ALA
150
25.160
25.945
15.509
1.00
19.12
A

ATOM
1359
C
ALA
150
24.722
25.592
17.914
1.00
23.40
A

ATOM
1360
O
ALA
150
23.590
25.917
18.298
1.00
25.67
A

ATOM
1361
N
VAL
151
25.807
25.747
18.657
1.00
21.38
A

ATOM
1362
H
VAL
151
26.684
25.455
18.345
0.00
0.00
A

ATOM
1363
CA
VAL
151
25.721
26.432
19.927
1.00
22.10
A

ATOM
1364
CB
VAL
151
25.968
25.521
21.092
1.00
19.42
A

ATOM
1365
CG1
VAL
151
24.845
24.528
21.192
1.00
18.73
A

ATOM
1366
CG2
VAL
151
27.287
24.841
20.929
1.00
19.26
A

ATOM
1367
C
VAL
151
26.799
27.460
19.861
1.00
24.84
A

ATOM
1368
O
VAL
151
27.735
27.310
19.075
1.00
25.21
A

ATOM
1369
N
ALA
152
26.677
28.494
20.685
1.00
27.99
A

ATOM
1370
H
ALA
152
25.913
28.538
21.302
0.00
0.00
A

ATOM
1371
CA
ALA
152
27.641
29.588
20.704
1.00
29.75
A

ATOM
1372
CB
ALA
152
27.276
30.612
19.653
1.00
30.42
A

ATOM
1373
C
ALA
152
27.745
30.273
22.059
1.00
31.98
A

ATOM
1374
O
ALA
152
26.775
30.348
22.827
1.00
34.03
A

ATOM
1375
N
LEU
153
28.915
30.836
22.314
1.00
31.23
A

ATOM
1376
H
LEU
153
29.615
30.813
21.635
0.00
0.00
A

ATOM
1377
CA
LEU
153
29.165
31.514
23.558
1.00
30.39
A

ATOM
1378
CB
LEU
153
30.259
30.770
24.297
1.00
32.28
A

ATOM
1379
CG
LEU
153
30.229
30.871
25.816
1.00
37.59
A

ATOM
1380
CD1
LEU
153
31.222
29.890
26.445
1.00
39.50
A

ATOM
1381
CD2
LEU
153
30.561
32.289
26.215
1.00
41.56
A

ATOM
1382
C
LEU
153
29.624
32.912
23.206
1.00
30.50
A

ATOM
1383
O
LEU
153
30.523
33.064
22.390
1.00
32.26
A

ATOM
1384
N
LEU
154
28.965
33.925
23.761
1.00
30.97
A

ATOM
1385
H
LEU
154
28.232
33.725
24.371
0.00
0.00
A

ATOM
1386
CA
LEU
154
29.325
35.325
23.520
1.00
31.10
A

ATOM
1387
CB
LEU
154
28.121
36.152
23.080
1.00
26.44
A

ATOM
1388
CG
LEU
154
27.448
35.907
21.745
1.00
21.46
A

ATOM
1389
CD1
LEU
154
26.310
36.915
21.578
1.00
17.33
A

ATOM
1390
CD2
LEU
154
28.481
36.035
20.651
1.00
20.27
A

ATOM
1391
C
LEU
154
29.834
35.912
24.825
1.00
34.52
A

ATOM
1392
O
LEU
154
29.581
35.364
25.906
1.00
34.84
A

ATOM
1393
N
ILE
155
30.485
37.068
24.735
1.00
37.91
A

ATOM
1394
H
ILE
155
30.625
37.486
23.863
0.00
0.00
A

ATOM
1395
CA
ILE
155
31.032
37.719
25.914
1.00
39.90
A

ATOM
1396
CB
ILE
155
32.544
37.672
25.886
1.00
39.83
A

ATOM
1397
CG2
ILE
155
33.082
38.193
27.171
1.00
42.99
A

ATOM
1398
CG1
ILE
155
33.019
36.239
25.726
1.00
40.34
A

ATOM
1399
CD1
ILE
155
34.496
36.134
25.604
1.00
43.31
A

ATOM
1400
C
ILE
155
30.601
39.175
26.013
1.00
42.74
A

ATOM
1401
O
ILE
155
30.715
39.923
25.044
1.00
47.71
A

ATOM
1402
C1
SUB
669
15.340
31.891
7.391
1.00
74.93
A

ATOM
1403
N1
SUB
669
8.304
30.677
12.872
1.00
38.48
A

ATOM
1404
C3
SUB
669
7.128
30.659
13.518
1.00
39.06
A

ATOM
1405
N3
SUB
669
6.539
29.463
13.742
1.00
37.65
A

ATOM
1406
C4
SUB
669
7.089
28.308
13.346
1.00
35.64
A

ATOM
1407
C5
SUB
669
8.373
28.334
12.649
1.00
35.87
A

ATOM
1408
C6
SUB
669
8.915
29.536
12.448
1.00
36.88
A

ATOM
1409
O8
SUB
669
6.588
31.683
13.897
1.00
41.17
A

ATOM
1410
N4
SUB
669
6.443
27.184
13.602
1.00
35.03
A

ATOM
1411
C1′
SUB
669
8.973
31.938
12.581
1.00
41.48
A

ATOM
1412
C2′
SUB
669
10.391
32.059
13.119
1.00
45.38
A

ATOM
1413
O2′
SUB
669
10.443
33.210
13.960
1.00
50.90
A

ATOM
1414
C3′
SUB
669
11.289
32.225
11.915
1.00
46.79
A

ATOM
1415
C4′
SUB
669
10.327
32.395
10.726
1.00
47.46
A

ATOM
1416
O4′
SUB
669
9.031
32.027
11.175
1.00
42.46
A

ATOM
1417
O3′
SUB
669
12.094
33.392
12.014
1.00
50.66
A

ATOM
1418
C5′
SUB
669
10.776
31.528
9.522
1.00
54.42
A

ATOM
1419
O5′
SUB
669
11.261
30.192
9.833
1.00
64.66
A

ATOM
1420
PA
SUB
669
11.798
29.171
8.682
1.00
72.84
A

ATOM
1421
O1A
SUB
669
10.953
27.812
8.619
1.00
72.89
A

ATOM
1422
O2A
SUB
669
11.692
29.875
7.234
1.00
74.36
A

ATOM
1423
O3A
SUB
669
13.350
28.818
8.921
1.00
76.33
A

ATOM
1424
PB
SUB
669
14.302
30.124
9.081
1.00
79.15
A

ATOM
1425
O1B
SUB
669
13.878
30.945
10.405
1.00
77.17
A

ATOM
1426
O2B
SUB
669
14.213
31.139
7.845
1.00
75.99
A

ATOM
1427
O3B
SUB
669
15.818
29.616
9.281
1.00
79.82
A

ATOM
1428
C27
SUB
669
14.904
32.785
6.218
1.00
72.53
A

ATOM
1429
C28
SUB
669
16.044
33.087
5.203
1.00
72.40
A

ATOM
1430
C29
SUB
669
15.466
34.005
4.075
1.00
70.17
A

ATOM
1431
O30
SUB
669
16.494
34.337
3.123
1.00
69.39
A

ATOM
1432
O31
SUB
669
16.556
31.819
4.642
1.00
71.20
A

ATOM
1433
C32
SUB
669
17.260
33.799
5.852
1.00
69.44
A

ATOM
1434
O33
SUB
669
14.421
34.031
6.748
1.00
74.76
A

ATOM
1435
P34
SUB
669
15.861
30.548
3.847
1.00
70.95
A

ATOM
1436
O35
SUB
669
15.223
30.977
2.582
1.00
69.40
A

ATOM
1437
O36
SUB
669
16.923
29.547
3.505
1.00
69.83
A

ATOM
1438
O37
SUB
669
14.831
29.854
4.713
1.00
69.79
A

END

Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase

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CPC

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