WO2011067715A1 - Crystal structure of a complex of thymidylate synthase (ts) with a ligand - Google Patents

Abstract

The present invention relates to a crystal of the protein thymidylate synthase (TS), in particular human TS, in the presence of a ligand, methods of crystallization thereof and uses thereof. The invention also relates to the three- dimensional structure of a new binding site located in the dimerization interface region of TS protein and applications thereof in the design and obtainment of new inhibitors with pharmacological activity, in particular antitumour activity.

Description

CRYSTAL STRUCTURE OF A COMPLEX OF THYMIDYLATE SYNTHASE (TS) WITH A LIGAND

FIELD OF THE INVENTION

The present invention relates to a crystal of the protein thymidylate synthase (TS) , in particular human TS in the presence of a ligand, methods of crystallization thereof and uses thereof. The invention also relates to the three- dimensional structure of a new binding site located in the dimerization interface region of TS protein and applications thereof in the design and obtainment of new inhibitors with pharmacological activity, in particular antitumour activity.

BACKGROUND OF THE INVENTION

The enzyme thymidylate synthase (TS) is a protein of around 60-75 kDa, depending on species, active as a dimer. The TS dimer is made up of identical monomeric units and is characterised by strong stability. The dimerization interface region is highly preserved among the TSs belonging to different species; about 50% of the residues making it up are invariant/fairly invariant.

Human thymidylate synthase, like that of other species, is a key enzyme for nucleotide metabolism and hence for cell survival. In particular, it represents the only means of adding a methyl group to the 5-position of the pyrimidine ring of thymidine during de novo synthesis.

Since thymidine is the only specific DNA precursor nucleotide, the enzyme TS, on the basis of the functional role just discussed, represents an ideal candidate for generating antitumour drugs.

Moreover, various studies have demonstrated that TS binds its own and other mRNAs in vitro, including c-myc, bcl-2 and p53. The meaning of this interaction is not known; however, it suggests that TS has an additional role besides its catalytic one. In particular, experimental evidence has demonstrated that TS protein participates in the regulation of the synthesis of other proteins involved in the cell cycle, in the repair of DNA damage and in transcription.

Therefore, TS performs a dual function: 1 ) as an enzyme, it plays an essential role in the biosynthesis of DNA; 2 ) as a protein, it participates in the regulation of protein synthesis, through a feedback mechanism based on the interaction with mRNA molecules.

Recently, the molecular mechanism used by TS protein to regulate its expression has been studied in detail. In the model proposed, TS protein, in an inactive, unbound form, interacts with its own mRNA and with mRNAs encoding other proteins, acting as a transcriptional repressor. Said model is also able to explain the molecular mechanism at the basis of the resistance to TS inhibitor drugs currently used in antitumour therapies.

Under this mechanism, when TS is bound to the inhibitor it loses its ability to bind and thus to repress its own mRNA. As a result a hyperexpression of TS itself is induced as a late response, reducing the drug's efficacy.

A recent study by Berger S. H. et al. {Effects of ligand binding and conformational switching on intracellular stability of human thymidylate synthase. BBA-2004) revealed the presence of different conformational states of human thymidylate synthase (hTS) pre-existing the catalytic reaction.

The inactive dimeric form (AAi) is in equilibrium with the active, unbound form (AAa) and with a ternary complex (AAaL, L stands for Ligand) , which represents the bound form. Only the active conformation of hTS is capable of binding the substrates and is responsible for catalysis. The structure of active hTS has the catalytic Cys- 195 in the active site and the region 107-128 (catalytic loop) is structured, whereas in the inactive conformation the hTS is bound to four phosphate ions, is not a catalyser and the region 107-128 (catalytic loop), unstructured, appears disorderly in its crystals.

Furthermore, it has been demonstrated, by determination of the different crystal structures of TS obtained up to now with X-ray diffraction, that the active conformation exists in an open form AAa, open and a closed form AAa, closed. The inactive dimeric form is unstable and tends to degrade, whereas the ternary complex is more stable and possesses a longer half life, useful for guaranteeing the functionality of TS over time and assuring an intracellular concentration of the enzyme that is always high.

The native protein exists in an apparent equilibrium between the conformational states. However, when TS is bound to the molecules of inhibitors it assumes the active conformation and loses the ability to bind mRNA which is characteristic of the native protein.

All of the inhibitors presently used in chemotherapy are analogous substrates that bind and stabilize the active conformation of TS, thereby preventing and reducing the enzyme's degradation. The active conformation is not able to bind the phosphate ions or, presumably, mRNA.

As a consequence, when an excess of substrate or of TS inhibitor is used, a derepression of the protein's bond to mRNA occurs, provoking a more efficient translation and thus, paradoxically, a late increase in the level of TS protein itself.

In addition, studies on the interaction of peptides extracted from the complete sequence of hTS with the sequence of its mRNA have suggested that the binding domain for the regulatory sequences of the messenger RNA is located at the interface of the two monomers of hTS and, therefore, there exists an equilibrium between the monomeric and dimeric form of TS. This equilibrium determines the sensitivity of the TS enzyme to the inhibitors used as drugs, as was recently demonstrated by Allegra C. et al. (Biochemical and Biophysical Research Communications, 297, 2002, 24-31 and relative WO02/072753) .

Using a series of 17-residues peptides, which overlap for the whole length of human TS (hTS) and of TS of Escherichia coli, six domains capable of binding messenger RNA were identified and these are located at the interface of the TS homodimer. In fact, by studying the interaction between these peptides and the TS messenger, it has been demonstrated that the domain of hTS involved in binding to the regulatory sequences on its own messenger is located in the interface region between the 2 monomers of the TS homodimer.

The access to macromolecules, such as a messenger, in this interface region is very limited, so the only possibility for TS to interact with the messenger RNA is in the monomeric form. In fact, even though TS may perform its biological function in the dimeric form in an obligatory manner, the monomeric form of the enzyme has also been identified in solution.

BRIEF DESCRIPTION OF THE INVENTION

The design and preparation of molecules potentially capable of interacting with the TS dimer in the monomer-monomer interface region by means of a "new" mechanism which enables the function of the enzyme to be inhibited, while preserving its ability as a translational repressor, is a very ambitious objective, but above all useful for overcoming the considerable therapeutic complications due to cell resistance connected with the use of common chemotherapy drugs, which, as noted previously, stabilize the active form incapable of interacting with messenger.

With the aim of overcoming this technical problem, the authors of the present invention have resolved the three- dimensional structure of human thymidylate synthase (hTS) , and that of hTS complexed with a ligand, in particular with a peptide .

The resolution of such crystal structures has enabled the identification and definition of a new binding site which extends along the cleft in the region of the dimerization interface of the hTS homodimer.

The identification of this binding site has made it possible to hypothesize a new mechanism of action for a particular class of ligands capable of binding hTS in a site located in the dimerization interface region and, therefore, of inhibiting its enzymatic function while at the same time preserving its ability as a translational repressor.

The coordinates of said crystallographic structures can thus be used for the purpose of designing and obtaining molecules capable of interfering with the dimerization process of the TS enzyme while preserving its function as a translational repressor.

Said molecules can be used for the treatment of cancer and to overcome the resistance of cancer cells due to use of the current antitumour drugs.

For example, the drugs most commonly used at present to treat ovarian cancer (e.g. platinum derivatives) provoke, in the long run, the onset of resistance in cancer cells.

The inhibitors designed and obtained on the basis of the crystallographic coordinates of the invention can prove useful for restoring the sensitivity of ovarian cancer cells to platinum-derived drugs.

Said inhibitors can be administered alone or in combination with other known drugs in order to enhance their therapeutic efficacy.

BRIEF DESCRIPTION OF THE FIGURES

The invention is described hereunder with particular reference to the appended figures, wherein: Figure 1 shows the amino acid sequence of histidine- tagged human thymidylate synthase (ht-hTS) ; the histidine tag of 12 residues added to the amino end of the hTS sequence is indicated in grey; the residues involved in binding to the peptide and the catalytic Cys residues are underlined; the sequence of the present construct is shifted by 12 units relative to that of the holoenzyme (hTS) ; the numbering of the sequence illustrated in the present patent application makes reference to the sequence in figure 1, where residue #1 is the Met that begins the sequence MRGSHHH;

Figure 2 shows the structure of native hTS (symmetric homodimer) ;

Figure 3 shows the structure of the hTS-ligand complex (non-symmetric homodimer) ; the ligand is represented as a darker coloured ribbon;

Figure 4 shows the details of the binding site of the peptide SEQ ID NO: 1 on hTS; the 56 aas of the site are shown as lines; the two subunits of hTS are represented in two different shades of grey to highlight the binding site in the interface region; the peptide is represented as a dark ribbon;

Figure 5 shows the details of the interactions between the peptide SEQ ID NO: 1 and the interface region of hTS; the two subunits of hTS are represented in two different shades of grey; the peptide is represented as sticks; the polar interactions of the peptide with hTS are represented as dotted lines.

BRIEF DESCRIPTION OF THE TABLES

The invention is described hereunder with particular reference to the following tables inserted in the text:

Table 1 shows the percentages of identity, homology and diversity of the TS of various organisms compared with human TS; - Table 2 shows the atomic coordinates for the complex ht- hTS-SEQ ID NO: 1; the second column indicates the atom number, the third column indicates the atom, the fourth the type of residue, the fifth the identification of the chain (A or B) , the sixth the residue number, the seventh, eighth and ninth columns are, respectively, the X, Y and Z coordinates of the atom in question, the tenth column the atom' s occupation, expressed as a fraction (1.00 = 100%), of the site of coordinates x, y and z, the eleventh the temperature factor of the atom and the twelfth the type of atom;

Table 3 shows the amino acid residues involved in forming the dimer interface between the A and B subunits of ht-hTS;

Table 4 shows the atomic coordinates of the dimerization interface region; the legend of the columns is the same as described above for Table 2;

- Table 5 shows the atomic coordinates of the binding site of SEQ ID NO: 1; the legend of the columns is the same as described above for Table 2;

- Table 6 shows the ht-hTS residues placed at a contact distance (< 3.5 A) from SEQ ID NO: 1;

Table 7 shows the data collection and refinement statistics of the crystal structures according to the invention .

DETAILED DESCRIPTION OF THE INVENTION

The present invention relates to the three-dimensional structure of thymidylate synthase (TS) complexed with a ligand, preferably a peptide ligand, most preferably the peptide having the sequence LSCQLYQR, identified in the sequence listing with SEQ ID NO: 1.

The invention also relates to the three-dimensional structure of the TS region in which a peptide ligand binds. In other words, the subject matter of the invention is the three- dimensional atomic coordinates associated with the binding site of a peptide ligand. The binding site is located in the dimerization interface region between the A and B subunits of the TS.

The crystal structures of the TS-ligand complex and binding site of the invention were obtained using the peptide having SEQ ID NO: 1.

It is wholly obvious to a person skilled in the art that analogous crystals of TS can be obtained in the presence of peptide or non-peptide ligands having a sequence or structure analogous to that of peptide SEQ ID NO: 1.

Peptides analogous to SEQ ID NO: 1 are therefore envisaged within the scope of the invention.

According to the present invention, the TS can be tagged at the amino and/or carboxylic end with a histidine tail (ht-TS) and can be of human origin (ht-hTS) . Preferably, the human TS of the present invention refers to SEQ ID NO: 2 (see Figure 1) . Alternatively, the TS can be a bacterial TS, preferably chosen from among: TS of Escherichia coli (EcTS) , of Enterobacter faecalis (EfTS) , of Pneumocystis carinii (PcTS) and of Criptococcus neoformans (CnTS) .

The degree of identity, homology and diversity between the TS sequences of these organisms and that of human TS was evaluated using commercially available algorithms. As shown in Table 1, the values found are highly significant:

Table 1

The data reported above demonstrate that TS is highly preserved in the various organisms. Therefore, three- dimensional structures obtained using non-human TS proteins are understand as being included within the scope of the invention.

Detailed description of the crystal structures

For the purposes of the present invention the atomic coordinates of a three-dimensional structure of the crystal of ht-hTS (free of the ligand) were determined; its sequence is indicated with SEQ ID NO: 2 and is shown in Figure 1 . Said atomic coordinates are not included in the text of the present patent application.

One embodiment of the present invention relates to the three- dimensional structure of the complex between ht-hTS and a ligand, preferably the peptide SEQ ID NO: 1 , and to the atomic coordinates thereof listed in Table 2 .

In this Table the subunits of the protein are identified as molecule A and molecule B and comprise atoms numbered from 1- 4260 ; the atoms 4261-4521 are oxygen atoms of water molecules; the atoms 4522-4541 belong to four sulphate ions bound to ht-hTS-SEQ ID NO: 1 . The molecule SEQ ID NO: 1 comprises the atoms numbered from 4542-4610 . The atoms 4611- 4615 are sulphide atoms bound to the side chains of the cysteine residues.

The crystal of the complex is obtained by co-crystallization of ht-hTS with the peptide SEQ ID NO: 1 . Preferably, the three-dimensional structure of the crystal of ht-hTS-SEQ ID NO: 1 has the space group P3i .

An advantageous characteristic of the structure defined by the atomic coordinates in Table 2 is that it possesses a resolution of around 2 . 3 A.

The unit cell of the structure of Table 2 is the following: a = b = 96. 20 A, c = 82 . 47 A, a = β = 90 ° , γ = 120 ° . The dimensions of the cell in the two crystals of free ht-hTS and complexed ht-hTS are similar and can be subject to a variability of 5% . The structure of the ht-hTS dimer is described by the coordinates in Table 2.

According to the present invention, the first 37 residues of the construct, which comprise the 12 residues of the histidine tail up to the 25 residues of the amino end of the sequence of hTS, are not visible in the electron density map and are not part of the model. The residues 115-141 are similarly not visible in the electron density map, either in the ht-hTS structure, or in that of ht-hTS-SEQ ID NO: 1 and are thus omitted from the model. The Pro38 residue is the first residue observable in the electron density map and Glu322 is the last.

Both the structures of ht-hTS and of the complex ht-hTS-SEQ ID NO: 1 are homodimers correlated, respectively, by a crystallographic axis of order 2 or a non-crystallographic axis of order 2. The two subunits present in each of the two structures adopt the so-called inactive conformation of the loop of the active site (residues 193-209) with the catalytic Cys207 (Cysl95 in the numbering scheme of the wild-type enzyme) which is rotated in a non-productive conformation far from the cavity of the active site.

In the electron density maps of the complex ht-hTS-SEQ ID NO: 1 a clear electron density is observable beyond the Sy atom of the cysteine residues Cys55A/B, Cysl92B and Cys207A/B, which was interpreted by the addition of a single sulphur atom to the side chains of the cysteine possibly originating from the β-mercaptoethanol present in the crystallization solution.

In the same manner, in the ht-hTS structure three other sulphur atoms are bound to the side chains of Cys55, Cysl92 and Cys207. A molecule of β-mercaptoethanol was found bound to the side chain of Cys211.

Comparing the structure of the complex ht-hTS-SEQ ID NO: 1 and that of ht-hTS made it possible to identify the binding of the peptide SEQ ID NO: 1 in a region of the hTS enzyme previously not identified as a binding site. The binding region of the peptide SEQ ID NO: 1 in ht-hTS is the principal subject matter of the present invention. The binding region of SEQ ID NO: 1 has the potential of being a binding site also for ligands of various nature.

In fact, by comparing the atomic coordinates of the ht-hTS protein and of the complex of the protein with the peptide ligand it was possible to deduce the atomic coordinates of the dimerization interface region.

The dimerization interface region between the A and B subunits of ht-hTS comprises the amino acid residues shown in Table 3. Table 3

Residues Involved In the Interface between Ά and B subunits

VAL 57, ARG 58, LYS 59, ASP 60, ASP 61, ARG 62, THR 67,

SER 69, VAL 70, PHE 71, GLY 72, MET 73, GLN 74, ALA 75,

ARG 76, PHE 154, VAL 170, ASP 171, GLN 172, ARG 175, ASN 183,

PRO 184, ASP 185, ASP 186, ARG 187, ARG 188, ILE 190,

TRP 194, ARG 197, ASP 198, LEU 201, MET 202, ALA 203,

LEU 204, PRO 206, CYS 207, LEU 210, GLN 212, TYR 214,

VAL 215, VAL 216, ASN 217, SER 221, CYS 222, GLN 223,

TYR 225, ARG 227, SER 228, ILE 261, THR 263, LEU 264,

GLY 265, ASP 266, HIS 268, ILE 269, TYR 270

The residues shown above are involved in forming the interface between the A and B subunits of human TS. The sequence applies both for the A subunit and B subunit. There are 56 amino acid residues for each subunit (112 altogether) which are involved in the interface.

The three-dimensional structure of the dimer interface region is shown in Figure 5. The atomic coordinates of the residues involved in the interface are shown in Table 4. Thanks precisely to the comparison between the atomic coordinates of the protein crystal and the crystal of the complex, it was possible to identify a new binding site in the dimerization interface region of the ht-hTS homodimer. The specific atomic coordinates of the binding site are shown in Table 5 and form a preferred object of the present invention .

The binding site of the peptide SEQ ID NO: 1, as identified in the crystal structure of the complex ht-hTS-SEQ ID NO: 1, spans the cleft located at the interface of the two ht-hTS subunits defined by the loops 149-172 and 183-204 of both A and B subunits. The cleft comprises Cysl92 and it is close to the catalytic Cys207.

The difference Fourier maps reveal a continuous electron density that extends from the Sy atom of Cysl92 B, which can be interpreted as the peptide SEQ ID NO: 1 covalently bound via a disulphide bridge to Cysl92B through the Cys3 residue of SEQ ID NO: 1. The residues 1-8 of the peptide SEQ ID NO: 1 were modelled and are shown in Table 2.

The 4 amino acids at the amino end of the peptide SEQ ID NO: 1 (Leul - Gln4) adopt an extended conformation and, in addition to the covalent bond formed between Cys3 and Cysl92B, they interact with hTS through three hydrogen bonds that involve NH or CO groups present in the skeleton of the peptide.

Hydrophobic contacts occur between Leul of SEQ ID NO: 1 and et202 of the A subunits of hTS.

The 4 residues at the carboxy-terminal end of SEQ ID NO: 1 fold, making a sort of β-loop thanks to an intramolecular hydrogen bond between the C-terminal carboxylate of SEQ ID NO: 1 and the NH group of Gln4 of the peptide SEQ ID NO. 1. Another hydrogen bond with ht-hTS involves the side chains of Ser2 and Gln4 of SEQ ID NO: 1. The binding of the peptide SEQ ID NO: 1 to ht-hTS does not alter its conformation. In fact, the root mean square deviation of the Ca-atoms of the skeleton between the complex ht-hTS-SEQ ID NO: 1 and the subunits of ht-hTS is around 0.20 A. As expected, the largest deviations occur in the regions close to the binding site of SEQ ID NO: 1.

For example, the loops between the residues 153-172 and residues 194-207 of ht-hTS, which contact with the peptide SEQ ID NO: 1, show root mean square deviations of between 1.2 A and 2.0 A. Larger deviations can be observed for some residues of the side chains in this region, such as, for example, Phel54 and Leu204, which deviate respectively by 2.5 A and 3.2 A between the two structures.

Table 7 shows the ht-hTS residues which are at a contact distance from the peptide SEQ ID NO: 1.

Table 6

The atomic coordinates shown in the tables and the numberings of the amino acid residues used in the present patent application refer to the hTS sequence tagged with histidine (12-residues) added at the amino end of the sequence of hTS. The residue number 1 is the Met which begins the histidine tag.

Therefore, the numberings indicated in the patent application are shifted by 12 units, corresponding to the histidine tag, compared to untagged TS.

Obviously, a person skilled in the art will be able to translate the numberings and coordinates indicated in the present patent application to untagged hTS.

The coordinates of tables 2, 4 and 5 provide a measure of the atomic position in Angstroms, given to 3 decimal places. The coordinates are a relative set of positions which define a structure in three dimensions. A person skilled in the art will be aware of the fact that a set of completely different coordinates, having a different origin and/or axes, can define a similar or identical form.

Furthermore, a person skilled in the art will understand that by varying the relative atomic position of the atoms of the structure so that the root mean square deviation is less than 1.5 A, one will obtain a structure that is substantially the same as the one of tables 2, 4 and 5 in terms both of structural characteristics and of utility for the uses indicated in the patent application.

Accordingly, crystal structures whose coordinates display a root mean square deviation less than 1.5 A are understand as being envisaged within the scope of the present invention. In the same manner, a person skilled in the art will be aware of the fact that changing the number and/or the positions of the water molecules and/or ligand molecules reported in the tables will not compromise the utility of the structural information of the present invention for the uses indicated in this patent application. Transpositions of the coordinates of tables 2, 4 and 5 into different origins and/or axes fall within the scope of the present invention as described previously in its various embodiments .

The relative positions of the atoms of the structure or selected coordinates are diversified so that the root mean square deviation of the resulting varied structure is less than 1.5 A when superimposed on the coordinates provided in tables 2, 4 and 5, and/or when the number, and/or positions of the water molecules and/or the ligand molecules are changed.

Method of preparation of the crystal structures

The method used to obtain the ht-hTS crystal or the crystal of ht-hTS-SEQ ID NO: 1 illustrated in the present invention can be used to obtain an ht-hTS crystal or crystal of ht-hTS- SEQ ID NO: 1 characterised by a resolution of 2 to 3 A, preferably of around 3.0 A or greater.

In particular, in the present invention there is described a method for obtaining a protein crystal of ht-hTS or a co- crystal of ht-hTS-SEQ ID NO: 1 using the sitting-drop vapour- diffusion technique.

Cloning and purification of ht-hTS

Human thymidylate synthase was purified from E. Coli BL21 strain DH5a transformed with the vector pQE80L, which contains the complete sequence encoding the human thymidylate synthase (hTS) tagged with a histidine tail. The purification involved sequential chromatography on a column with Ni Sepharose Fast Flow resin and a HiTrap desalting column, both by GE Healthcare.

The thymidylate synthase of E. Coli was purified by ammonium sulphate precipitation and sequential chromatography using DEAE Sephacel and Phenylsepharose CL-4B resins. The enzymes showed a pattern with a single band when submitted to SDS- polyacrylamide gel electrophoresis. The purified protein was stored at -80°C after the concentration had been determined by measuring absorbance at 280 nm. The activity of the TS was spectrophotometrically determined by monitoring the increase in absorbance at 340nm in the presence of dUMP and mTHF.

Crystallization of ht-hTS

The ht-hTS crystals were grown at 4°C, using the sitting-drop method, in a solution containing 200 μΜ ht-hTS in 0.1 M HEPES at pH 7.5 and 20 mM β-mercaptoethanol . 2-3 μΐ, of said solution was mixed with an equal volume of a precipitating solution containing a solution obtained by diluting a saturated solution (in water) of (NH )₂S0₄ , 20 mM β- mercaptoethanol and 0.1 M Tris-HCl to 20-25% (v/v) at pH 8.3. The ht-hTS crystals grew in about a week, reaching a final size of approximately 100 x 200 x 200 um.

The crystals of the complex of ht-hTS with the peptide SEQ ID NO: 1 were grown in the same ht-hTS solution as described above and incubated for 2 hours at 4°C with a 1 mM solution of the peptide SEQ ID NO: 1 in water. The sitting-drop plates were prepared by adding 3 μΐ, of the solution of ht-hTS-SEQ ID NO: 1 with an equal volume of precipitating solution consisting in a solution obtained by diluting a saturated solution (in water) of (NH )₂S0 , 20 mM β-mercaptoethanol and 0.1 M Tris-HCl to 20-25% (v/v) at pH 8.3.

The crystals of the complex ht-hTS-SEQ ID NO: 1 appeared in 3-5 days and grew until reaching a final size similar to that of native crystals in three weeks.

The crystals of ht-hTS and of the complex ht-hTS-SEQ ID NO: 1 demonstrate the same behaviour and belong to the trigonal system.

Diffraction data were collected on crystals frozen at 100 K under cold nitrogen flow. 20% glycerol was added to the crystal mother liquor as a cryoprotectant . The data were collected at ESRF (Grenoble) on the beamlines ID 14-1 and ID 23-1 equipped with ADSC Q210 CCD detectors. The data were collected with the rotation method using Δφ = 1 ° over 180 ° , so as to obtain a high level of data redundancy, with a distance of 265 mm between the crystal and detector. The crystals demonstrated to be stable to X-ray exposure throughout the data collection time (about 25 ' ) . A single crystal was used for each dataset. The final statistics of the data collection are reported in Table 7 .

Resolution of the structure

La ht-hTS structure was resolved in trigonal space group Ρ3 21 using the molecular replacement technique. The model used was that of a subunit of human TS crystallized under low-salinity conditions (PDB 1YPV) with all of the water molecules omitted. The content of the asymmetric unit consists in a subunit of the ht-hTS dimer which occupies a special position having a symmetry of point 2 with a molecular axis of order 2 coinciding with the crystallographic axis of order 2 present in the cell. The correct orientation and the translation of the molecule inside the crystallographic unit cell was determined by analyzing the Patterson function, as implemented in the OLREP software program.

The program provided an evident solution for the positioning of the content of the asymmetric unit. The first 37 N- terminal residues of ht-hTS present in the construct were not visible in the electron density map and are not part of the model; the residues from 120 to 141 were not visible in the electron density map and were omitted from the model, as were the last three residues of the C-terminal part.

The XtalView and Coot programs were used to manually reconstruct the model. The crystal structure of the complex ht-hTS-SEQ ID NO: 1 was resolved using MOLREP molecular replacement and ht-hTS as a model. However, the formation of a 1 : 1 complex between the ht-hTS dimer and the peptide breaks the binary symmetry of the molecule and lowers the symmetry of the space group from P3i21 to P3i , as subsequently confirmed by refinement of the structure. For ht-hTS-SEQ ID NO: 1 in P3_lf the content of the asymmetric unit consists in the entire dimer and the peptide SEQ ID NO: 1.

Refinement of the structure

The initial molecular replacement models were submitted to an initial rigid body refinement cycle followed by numerous conventional refinement cycles using the method which exploits the maximum likelihood function as implemented in REF AC5. Between the refinement cycles, the model was submitted to a manual reconstruction using XtalView and Coot.

The Coot program was used to model the peptide SEQ ID NO: 1. Water molecules were added in both cases using the standard procedure in the ARP/wARP suite.

The refined model of ht-hTS consists of 263 amino acids, 91 water molecules and 2 sulphate anions originating from the crystallization solution. An inspection of the difference Fourier maps showed that four of the five cysteine residues present in ht-hTS reacted with β-mercaptoethanol (BME) to give a covalent adduct. However, a whole molecule of BME was visible in the electron density map only for Cys211, whereas in the case of Cys55, Cysl92 and Cys207 only a sulphur atom was identified and fitted into the model. The tendency of cysteine residues of hTS to react with β-mercaptoethanol has been observed previously.

The two sulphate ions are bound to the dimerization interface region by means of Argl87 and Argl97 hydrogen bonds in the same anion recognition site where the substrate dUMP is bound.

The formation of a 1:1 complex between the ht-hTS dimer and the peptide SEQ ID NO: 1 should remove the binary symmetry present in the enzyme. In order to determine whether the symmetry of the crystal of ht-hTS-SEQ ID NO: 1 was actually lowered to P3_lf the data of the complex were processed both in space group P3i21 and in group P3i- The structure in space group P3i21 was refined by modelling the peptide in two mutually exclusive orientations (linked by the dual axis) and using an occupation factor of 0.50 for each orientation. The occupation of the peptide, in contrast, was maintained at 1.00 in the case of P3i, though the refinement ended with high temperature factors (50-70% greater than the atoms of ht-hTS) , indicating an occupation slightly less than 1.0 for the peptide SEQ ID NO: 1. The final R-cryst and R-free factors converged at 0.24 - 0.28 for the structure in P3i21, as compared to values of 0.20 - 0.25 obtained for the structure in space group P3i at the same refinement steps. The lower values of the R-cryst and R-free parameters indicate the correctness of space group P3i for the complex ht-hTS-SEQ ID NO: 1.

In the final refinement steps ordered water molecules were added both to ht-hTS and ht-hTS-SEQ ID NO: 1 by means of the procedure implemented in the ARP/wARP suite.

The stereochemical quality of the refinement model was checked using the PROCHECK program.

Table 7. Data collection and refinement statistics.

(The data in brackets refer to a high-resolution data shell)

DATA COLLECTION AND REFINEMENT STATISTICS ht-hTS ht-hTS-SEQ ID

NO: 1

Data collection statistics

X-ray source ESRF ID14-1 ESRF ID23-1

Wavelength 0.934 0.934

(A)

Data 100 100 collection T

(K)

Space group Ρ3χ2 P3i

Cell a=96.20 a=96.11 dimensions b=96.20 b=96.11

(A) c=82.47 c=82.24 subunits/asu 1 2

Matthews 3.01 3.00 coefficient.

(A^Da¹)

Solvent 59.20 59.01 content (%)

Resolution 41.67-2.28 83.33-2.26 limits (A) (2.40-2.28) (2.38-2.26)

Measured 219644 438289 reflections (31723) (65562)

Single 20528 39745 reflections (2942) (5857)

Completeness 100.0 99.8

(%) (100.0) (100.0) f sm (%) 6.4 (41.3) 7.1 (30.3)

Multiplicity 10.7 (10.8) 11.0 (11.2)

Ι/σΙ 24.0 (6.6) 25.9 (6.7)

Refinement statistics

R cryst (%) 19.6 (22.4) 20.0 (30.7)

R free (%) 23.6 (26.6) 25.0 (44.7)

Protein atoms 2130 4260

Ligand atoms 0 69

Water 88 261 molecules

Mean B Factor 44.28 49.73

(A²)

r.m.s.d. of 0.023 0.032 bond length

(A)

T.m.s.d. of 1.974 2.450

bond angle

(°)

Uses of the crystal structures

The crystal structures obtained according to the present invention can be used in different ways for drug design. For example, the design of ligands that are selective for the new binding site identified by the present invention thanks to the co-crystallization of the TS protein with the ligand SEQ ID NO: 1 can be achieved by making reference to the coordinates reported in Table 2, optionally varied by a root mean square deviation of less than 1.5 A.

In preferred embodiments of the present invention it is not necessary to use all the coordinates reported in Table 2, but rather only part of them, i.e. a set of coordinates representing the atoms of particular interest in relation to a particular use. This part of coordinates is defined in this context as "selected coordinates", where "selected coordinates" refers to each subset of the atomic coordinates reported in Table 2.

The selected coordinates which are preferred for the purposes of the invention are reported respectively in tables 4 and 5, and may be optionally varied by a root mean square deviation of less than 1.5 A. The selected coordinates in Table 5 are particularly preferred in that they represent the coordinates of the new binding site located in the dimerization interface region of TS.

The atomic coordinates reported in Tables 2, 4 and 5 refer to crystals of human TS . A person skilled in the art will be able to extrapolate coordinates similar to those of the invention for non-human TS protein, in particular for bacterial TS protein.

The ligands that bind to the new binding site will be capable of interfering with the dimerization process of the enzyme TS while preserving its activity as a translational repressor. Therefore, they can be used as antitumour drugs, in particular for the treatment of ovarian cancer. Said ligands can also be used to restore the sensitivity of tumour cells, in particular ovarian cancer cells, to the antitumour drugs commonly used.

The use of the crystal structures of the invention thus enables the design and identification of ligands more specific for TS than the ones known.

In the context of the present invention, the term ligand refers to TS "modulators", i.e. peptide (or non-peptide) compounds capable of causing a change (i.e. a modulation) in the level of biological activity of the TS enzyme.

Therefore, a modulation may include physiological changes that bring about an increase (activation) or a decrease (inhibition) in the activity of TS.

The modulation could originate directly as a result of the binding with the new binding site, or it could be an indirect modulation (e.g. through the binding of the ligand to any binding site of TS such that the activity of TS or its interactions with other biomolecules (e.g. mRNA) are compromised) .

Therefore, the modulation could imply the over- or under- expression of TS caused by these mechanisms, as well as hyper- or hypo-activity due to the binding of the ligand to the new binding site.

For example, information about the orientation of the bond of a ligand in the binding site can be determined by co- crystallization, soaking or computational docketing of the ligand. This will suggest some specific modifications to be applied to the chemical structure of the ligand in order to improve it and render interaction with the protein more specific.

In this way it will be possible to optimize its therapeutic action.

The determination of the three-dimensional structure of TS and of the TS-ligand complex provides a basis for the design of new ligands, e.g. chemical compounds that interact with TS enzymes .

For example, once the three-dimensional structure of TS or of the complex thereof is known, computer modelling programs can be used to design different molecules capable of interacting with possible binding sites.

Many techniques applied in the structural design of drugs are based on X-ray analysis, which is used to identify the binding position of the ligand in a complex protein-ligand. A common way of doing this is to carry out X-ray crystallography on the complex, produce a Fourier electron density map and associate a particular electron density profile with the ligand. However, in order to produce the map (as explained, for example, by Blundell et al . , in Protein Crystallography, Academic Press, New York, London and San Francisco, (1976) ) it is necessary to know beforehand the three-dimensional structure of the protein (or at least a set of structural factors related to the protein crystal) .

Therefore, the determination of the structure of TS or of the complex thereof is enormously useful in the process of rationally designing a drug.

Accordingly, the invention provides a method of determining the structure of a potential ligand of human TS or bacterial TS protein. In other words, the invention provides a method of evaluating the ability of a potential ligand to bind to TS protein, in particular to at least one amino acid in a binding site located in the dimer interface region of TS. The method comprises the following steps:

a) obtaining or synthesizing said potential ligand;

b) soaking a crystal of human TS or bacterial TS in a solution of said potential ligand to obtain a crystal of TS complexed with said potential ligand;

c) determining the three-dimensional structure of the crystal of TS complexed with said ligand by X-ray crystallography, if possible with a resolution greater than 3 A;

d) analyzing said TS-ligand complex by X-ray crystallography, using the coordinates of Table 2, or the selected coordinates reported in Table 4 and/or Table 5, optionally varied by a root mean square deviation of not more than 1.5 A, to determine the ability of said ligand to interact with TS protein.

Alternatively, the complex of human TS or bacterial TS can be obtained by co-crystallization with the following procedure: samples of purified protein are incubated for a period of time (usually > 1 hour) with a potential ligand. The solution of the protein-ligand complex can be assayed to determine the conditions of crystallization.

Alternatively, in step b) indicated above it is possible to back-soak the crystal of the complex of said potential ligand with human TS or bacterial TS where the ligand is bound to binding site located in the dimer interface region of TS, in order to form a complex between the TS and another potential ligand, which will be analysed as indicated in steps c) and d) .

In other words, the protein crystals complexed with a ligand can be back-soaked to remove the ligand by placing the crystals in a stabilizing solution in which the potential ligand is not present. The resulting crystals are then transferred into a second solution containing the potential ligand. Any ligand identified with this method will be an inhibitor of TS protein and may have antitumour action.

The method described above can be used to identify a potential ligand of TS within a blend of compounds. In fact, a blend of compounds can be used for the soaking procedure (step b) or co-crystallized with TS to obtain in any case crystals of the TS-ligand complex. In this way one can determine which of the compounds present in the blend is an inhibitor of TS .

To analyse the complexes formed between the TS protein and a ligand it is possible to employ:

(i) X-ray diffraction data of the complex formed; and (ii) a three-dimensional structure of the TS-ligand complex according to the present invention, or coordinates selected therefrom, to generate an electron density difference Fourier map computed on the basis of the differences in the X-ray diffraction data of TS soaked or co-crystallized with the potential ligand and a resolved structure of non-complexed TS. Said difference Fourier map is subsequently analyzed to determine the ability of said candidate ligand to interact with TS. These maps can then be analyzed to determine if and when a particular ligand binds to TS and/or the conformational changes of TS.

The electron density maps can be computed using programs such as those featured in the CCP4 computational suite (Collaborative Computational Project 4. The CCP4 Suite: Programs for Protein Crystallography, Acta Crystallographica, D50, (1994), 760-763). Programs like Coot can be used to display the map and construct the model.

The structural informations obtained could then be used to optimize known classes of ligands of TS, and what is most important, to design and synthesize new classes of ligands, particularly inhibitors or activators, and to design drugs with modified interactions for hTS. In another embodiment the invention comprises a method of resolving the structure of a TS complexed with a ligand that binds to at least one amino acid in a binding site located in the dimer interface region of TS, comprising the steps of: - collecting the X-ray diffraction data of a crystal of TS complexed with a ligand;

- using the atomic coordinates of the complex of TS according to Table 2 in order to carry out a molecular replacement with the X-ray diffraction data of the complexed TS crystal; and

determining the structure of the TS protein complexed with a ligand.

Table 2

ATOM 1 N PRO A 38 -73.048 -0.576 -3.394 1.00 64.98 N

ATOM 2 CA PRO A 38 -72.270 -0.459 -2.124 1.00 64.19 C

ATOM 3 CB PRO A 38 -71.004 -1.310 -2.409 1.00 64.65 C

ATOM 4 CG PRO A 38 -70.879 -1.346 -4.030 1.00 65.62 c

ATOM 5 CD PRO A 38 -72.176 -0.722 -4.593 1.00 65.06 c

ATOM 6 C PRO A 38 -71.890 1.016 -1.794 1.00 62.40 c

ATOM 7 or PRO A 38 -71.730 1.824 -2.736 1.00 63.23 o TOM 8 N PRO A 39 -71.736 1.379 -0.490 1.00 59.83 N

ATOM 9 CA PRO A 39 -71.469 2.806 -0.210 1.00 57.17 C

ATOM 10 CB PRO A 39 -71.533 2.891 1.325 1.00 56.98 C

ATOM 11 CG PRO A 39 -71.191 1.544 1.808 1.00 58.43 C

ATOM 12 CD PRO A 39 -71.734 0.577 0.751 1.00 60.16 C

ATOM 13 C PRO A 39 -70.111 3.324 -0.803 1.00 54.72 C

ATOM 14 or PRO A 39 -69.177 2.539 -1.057 1.00 53.82 o

ATOM 15 N HIS A 40 -70.053 4.632 -1.082 1.00 51.80 N

ATOM 16 CA HIS A 40 -68.883 5.288 -1.682 1.00 47.78 C

ATOM 17 CB HIS A 40 -69.236 6.737 -2.049 1.00 49.04 C

ATOM 18 CG HIS A 40 -68.224 7.387 -2.948 1.00 48.67 C

ATOM 19 ND1 HIS A 40 -66.944 7.687 -2.540 1.00 47.61 N

ATOM 20 CE1 HIS A 40 -66.277 8.261 -3.526 1.00 46.65 C

ATOM 21 NE2 HIS A 40 -67.069 8.304 -4.578 1.00 51.25 N

ATOM 22 CD2 HIS A 40 -68.294 7.756 -4.245 1.00 49.57 C

ATOM 23 C HIS A 40 -67.700 5.276 -0.708 1.00 44.75 C

ATOM 24 or HIS A 40 -67.871 5.598 0.475 1.00 44.70 o

ATOM 25 N GLY A 41 -66.512 4.872 -1.158 1.00 41.06 N

ATOM 26 CA GLY A 41 -65.372 4.861 -0.225 1.00 38.35 C

ATOM 27 C GLY A 41 -64.977 6.148 0.493 1.00 36.70 C

ATOM 28 or GLY A 41 -64.453 6.126 1.581 1.00 34.97 o

ATOM 29 N GLU A 42 -65.195 7.306 -0.134 1.00 37.07 N

ATOM 30 CA GLU A 42 -64.875 8.602 0.546 1.00 35.05 C

ATOM 31 CB GLU A 42 -65.024 9.727 -0.496 1.00 38.56 C TOM 32 CG GLU A 42 -64.752 11.172 0.034 1.00 35.39 C

ATOM 33 CD GLU A 42 -64.559 12.074 -1.161 1.00 32.62 c

ATOM 34 OEl GLU A 42 -64.126 13.213 -0.925 1.00 36.64 o

ATOM 35 OE2 GLU A 42 -64.726 11.628 -2.334 1.00 35.18 o

ATOM 36 C GLU A 42 -65.759 8.828 1.738 1.00 33.73 c

ATOM 37 or GLU A 42 -65.380 9.560 2.662 1.00 34.92 o

ATOM 38 N LEU A 43 -66.911 8.143 1.822 1.00 32.66 N

ATOM 39 CA LEU A 43 -67.647 8.222 3.097 1.00 33.45 C

ATOM 40 CB LEU A 43 -68.958 7.441 3.037 1.00 34.56 C ATOM 41 CG LEU A 43 -70.031 7.961 2.058 1.00 34.57 C

ATOM 42 CD1 LEU A 43 -71.282 7. 107 2.174 1.00 38.11 C

ATOM 43 CD2 LEU A 43 -70.463 9. 387 2.373 1.00 32.07 C

ATOM 44 C LEU A 43 -66.895 7. 865 4.353 1.00 33.80 C

ATOM 45 or LEU A 43 -67.152 ε .398 5.465 1.00 36.26 o

ATOM 46 N GLN A 44 -65.893 7. 008 4.236 1.00 34.36 N

ATOM 47 CA GLN A 44 -65.088 6. 750 5.445 1.00 33.13 C

ATOM 48 CB GLN A 44 -64.197 5. 532 5.248 1.00 35.02 C

ATOM 49 CG GLN A 44 -65.000 4. 219 4.971 1.00 38.91 C

ATOM 50 CD GLN A 44 -64.012 3. 244 4.508 1.00 40.79 C

ATOM 51 OEl GLN A 44 -63.478 2. 443 5.366 1.00 38.86 o

ATOM 52 NE2 GLN A 44 -63.540 3. 447 3.244 1.00 29.59 N

ATOM 53 C GLN A 44 -64.208 7. 896 5.804 1.00 28.96 C

ATOM 54 or GLN A 44 -64.099 8 .182 6.956 1.00 30.34 o

ATOM 55 N TYR A 45 -63.618 8. 552 4.830 1.00 28.78 N

ATOM 56 CA TYR A 45 -62.788 9. 767 5.118 1.00 30.74 C

ATOM 57 CB TYR A 45 -62.050 10. 215 3.821 1.00 30.20 C

ATOM 58 CG TYR A 45 -61.459 11. 611 3.962 1.00 34.73 C

ATOM 59 CD1 TYR A 45 -62.190 12. 789 3.468 1.00 38.10 c

ATOM 60 CE1 TYR A 45 -61.661 14. 097 3.656 1.00 33.91 c

ATOM 61 CZ TYR A 45 -60.451 14. 226 4.381 1.00 33.24 c

ATOM 62 OH TYR A 45 -59.886 15. 443 4.598 1.00 31.44 o

ATOM 63 CE2 TYR A 45 -59.761 13. 086 4.921 1.00 33.45 c

ATOM 64 CD2 TYR A 45 -60.265 11. 811 4.694 1.00 37.45 c

ATOM 65 C TYR A 45 -63.683 10. 903 5.722 1.00 30.52 c

ATOM 66 or TYR A 45 -63.418 11 .474 6.773 1.00 31.09 o

ATOM 67 N LEU A 46 -64.840 11. 112 5.087 1.00 32.57 N

ATOM 68 CA LEU A 46 -65.879 12. 041 5.677 1.00 31.96 c

ATOM 69 CB LEU A 46 -67.039 12. 142 4.653 1.00 31.99 c

ATOM 70 CG LEU A 46 -66.632 12. 697 3.280 1.00 33.66 c

ATOM 71 CD1 LEU A 46 -67.788 12. 678 2.315 1.00 38.40 c

ATOM 72 CD2 LEU A 46 -66.077 14. 110 3.339 1.00 34.73 c

ATOM 73 C LEU A 46 -66.278 11. 689 7.092 1.00 30.49 c

ATOM 74 or LEU A 46 -66.236 12 .538 7.966 1.00 32.47 o

ATOM 75 N GLY A 47 -66.538 10. 402 7.428 1.00 32.34 N

ATOM 76 CA GLY A 47 -66.892 10. 072 8.849 1.00 28.32 C

ATOM 77 C GLY A 47 -65.798 10. 186 9.862 1.00 29.39 C

ATOM 78 or GLY A 47 -65.966 1C .433 11.081 1.00 30.44 o

ATOM 79 N GLN A 48 -64.604 9. 987 9.369 1.00 31.27 N

ATOM 80 CA GLN A 48 -63.442 10. 216 10.227 1.00 31.61 C

ATOM 81 CB GLN A 48 -62.218 9. 696 9.455 1.00 32.00 C ATOM 82 CG GLN A 48 -62.156 8.161 9.403 1.00 31.00 C

ATOM 83 CD GLN A 48 -60.831 7.719 8.820 1.00 31.02 C

ATOM 84 OE1 GLN A 48 -60.333 8.405 7.944 1.00 30.68 O

ATOM 85 NE2 GLN A 48 -60.233 6.569 9.305 1.00 29.11 N

ATOM 86 C GLN A 48 -63.259 11.704 10.587 1.00 30.29 C

ATOM 87 or GLN A 48 -62.999 12.031 11.727 1.00 30.67 O

ATOM 88 N ILE A 49 -63.368 12.594 9.589 1.00 32.29 N

ATOM 89 CA ILE A 49 -63.462 14.068 9.843 1.00 33.28 C

ATOM 90 CB ILE A 49 -63.769 14.840 8.494 1.00 33.83 C

ATOM 91 CGI ILE A 49 -62.611 14.697 7.486 1.00 32.69 C

ATOM 92 CD1 ILE A 49 -61.234 15.063 8.114 1.00 28.28 C

ATOM 93 CG2 ILE A 49 -64.055 16.324 8.845 1.00 37.01 C

ATOM 94 C ILE A 49 -64.574 14.407 10.876 1.00 31.14 C

ATOM 95 or ILE A 49 -64.360 14.978 11.978 1.00 30.17 O

ATOM 96 N GLN A 50 -65.757 13.917 10.547 1.00 33.17 N

ATOM 97 CA GLN A 50 -66.940 14.085 11.413 1.00 35.53 C

ATOM 98 CB GLN A 50 -68.044 13.337 10.682 1.00 37.98 C

ATOM 99 CG GLN A 50 -69.427 13.379 11.224 1.00 46.77 c

ATOM 100 CD GLN A 50 -70.411 13.096 10.067 1.00 59.35 c

ATOM 101 OE1 GLN A 50 -70.091 12.369 9.055 1.00 58.75 O

ATOM 102 NE2 GLN A 50 -71.602 13.724 10.172 1.00 61.26 N

ATOM 103 C GLN A 50 -66.704 13.605 12.826 1.00 36.14 C

ATOM 104 or GLN A 50 -66.948 14.367 13.805 1.00 39.01 O

ATOM 105 N HIS A 51 -66.150 12.379 13.004 1.00 36.43 N

ATOM 106 CA HIS A 51 -65.797 11.849 14.376 1.00 34.04 C

ATOM 107 CB HIS A 51 -65.343 10.342 14.190 1.00 35.54 C

ATOM 108 CG HIS A 51 -64.862 9.686 15.454 1.00 34.38 C

ATOM 109 ND1 HIS A 51 -65.722 9.323 16.473 1.00 39.78 N

ATOM 110 CE1 HIS A 51 -65.032 8.836 17.497 1.00 37.56 C

ATOM 111 NE2 HIS A 51 -63.751 8.850 17.164 1.00 38.78 N

ATOM 112 CD2 HIS A 51 -63.618 9.364 15.887 1.00 36.08 C

ATOM 113 C HIS A 51 -64.718 12.678 15.105 1.00 34.50 C

ATOM 114 or HIS A 51 -64.702 12.859 16.362 1.00 33.08 O

ATOM 115 N ILE A 52 -63.720 13.160 14.345 1.00 35.23 N

ATOM 116 CA ILE A 52 -62.686 14.036 14.992 1.00 35.47 C

ATOM 117 CB ILE A 52 -61.360 14.275 14.131 1.00 34.04 C

ATOM 118 CGI ILE A 52 -60.672 12.937 13.830 1.00 34.46 C

ATOM 119 CD1 ILE A 52 -59.909 12.859 12.550 1.00 29.48 C

ATOM 120 CG2 ILE A 52 -60.355 15.132 14.988 1.00 29.93 C

ATOM 121 C ILE A 52 -63.336 15.410 15.423 1.00 36.68 C

ATOM 122 or ILE A 52 -63.036 15.957 16.505 1.00 36.13 O ATOM 123 N LEU A 53 -64.207 15.943 14.593 1.00 37.83 N

ATOM 124 CA LEU A 53 -64.864 17.227 15.007 1.00 40.59 C

ATOM 125 CB LEU A 53 -65.705 17.774 13.843 1.00 39.79 C

ATOM 126 CG LEU A 53 -64.826 18.252 12.676 1.00 39.12 C

ATOM 127 CD1 LEU A 53 -65.602 18.647 11.427 1.00 36.50 C

ATOM 128 CD2 LEU A 53 -63.842 19.305 13.133 1.00 34.63 C

ATOM 129 C LEU A 53 -65.650 17.064 16.332 1.00 42.00 C

ATOM 130 or LEU A 53 -65.364 17.726 17.358 1.00 40.03 o

ATOM 131 N ARG A 54 -66.540 16.061 16.339 1.00 46.47 N

ATOM 132 CA ARG A 54 -67.354 15.648 17.523 1.00 46.64 C

ATOM 133 CB ARG A 54 -68.408 14.614 17.070 1.00 47.02 C

ATOM 134 CG ARG A 54 -69.493 14.169 18.187 1.00 50.53 C

ATOM 135 CD ARG A 54 -70.601 13.182 17.601 1.00 53.01 C

ATOM 136 NE ARG A 54 -71.245 13.838 16.423 1.00 66.07 N

ATOM 137 CZ ARG A 54 -71.238 13.417 15.137 1.00 70.09 C

ATOM 138 NHl ARG A 54 -70.646 12.263 14.760 1.00 73.46 N

ATOM 139 NH2 ARG A 54 -71.857 14.152 14.203 1.00 69.15 N

ATOM 140 C ARG A 54 -66.534 15.103 18.651 1.00 45.62 C

ATOM 141 or ARG A 54 -66.705 15.506 19.775 1.00 45.70 o

ATOM 142 N CYS A 55 -65.611 14.177 18.393 1.00 46.06 N

ATOM 143 CA CYS A 55 -64.922 13.571 19.522 1.00 45.63 C

ATOM 144 CB CYS A 55 -65.100 12.056 19.523 1.00 47.18 C

ATOM 145 SG CYS A 55 -66.825 11.535 19.424 1.00 49.03 s

ATOM 146 C CYS A 55 -63.464 13.890 19.785 1.00 44.42 c

ATOM 147 or CYS A 55 -63.015 13.580 20.873 1.00 42.92 o

ATOM 148 N GLY A 56 -62.753 14.512 18.833 1.00 43.05 N

ATOM 149 CA GLY A 56 -61.381 14.919 19.053 1.00 41.72 c

ATOM 150 C GLY A 56 -61.144 15.700 20.329 1.00 41.84 c

ATOM 151 or GLY A 56 -61.943 16.490 20.770 1.00 42.83 o

ATOM 152 N VAL A 57 -60.006 15.501 20.909 1.00 41.58 N

ATOM 153 CA VAL A 57 -59.590 16.162 22.091 1.00 42.39 c

ATOM 154 CB VAL A 57 -59.009 15.046 23.013 1.00 44.25 C

ATOM 155 CGI VAL A 57 -58.023 15.522 24.014 1.00 45.60 C

ATOM 156 CG2 VAL A 57 -60.213 14.266 23.732 1.00 46.86 C

ATOM 157 C VAL A 57 -58.524 17.159 21.587 1.00 42.14 C

ATOM 158 or VAL A 57 -57.826 16.913 20.539 1.00 39.29 o

ATOM 159 N ARG A 58 -58.394 18.265 22.323 1.00 41.76 N

ATOM 160 CA ARG A 58 -57.357 19.271 22.041 1.00 42.15 C

ATOM 161 CB ARG A 58 -57.609 20.578 22.868 1.00 43.35 C

ATOM 162 CG ARG A 58 -58.608 21.565 22.229 1.00 48.50 C

ATOM 163 CD ARG A 58 -58.060 22.152 20.886 1.00 59.12 C ATOM 164 NE ARG A 58 -56.818 22.945 21.003 1.00 65.64 N

ATOM 165 CZ ARG A 58 -56.780 24.222 21.435 1.00 69.39 C

ATOM 166 NH1 ARG A 58 -57.907 24.834 21.804 1.00 68.89 N

ATOM 167 NH2 ARG A 58 -55.621 24.896 21.501 1.00 70.84 N

ATOM 168 C ARG A 58 -55.934 18.799 22.336 1.00 38.93 C

ATOM 169 or ARG A 58 -55.608 18.468 23.469 1.00 37.89 0

ATOM 170 N LYS A 59 -55.042 18.913 21.370 1.00 36.54 N

ATOM 171 CA LYS A 59 -53.667 18.403 21.619 1.00 36.57 C

ATOM 172 CB LYS A 59 -53.547 16.863 21.196 1.00 35.70 C

ATOM 173 CG LYS A 59 -52.153 16.126 21.443 1.00 35.41 C

ATOM 174 CD LYS A 59 -52.234 14.540 21.345 1.00 31.78 C

ATOM 175 CE LYS A 59 -50.901 13.873 21.707 1.00 31.45 C

ATOM 176 NZ LYS A 59 -50.169 13.575 20.287 1.00 35.09 N

ATOM 177 C LYS A 59 -52.742 19.285 20.802 1.00 36.65 C

ATOM 178 or LYS A 59 -53.081 19.556 19.674 1.00 38.40 o

ATOM 179 N ASP A 60 -51.599 19.739 21.318 1.00 38.10 N

ATOM 180 CA ASP A 60 -50.680 20.524 20.391 1.00 41.32 C

ATOM 181 CB ASP A 60 -49.751 21.496 21.140 1.00 41.85 C

ATOM 182 CG ASP A 60 -50.509 22.544 21.960 1.00 45.34 C

ATOM 183 ODl ASP A 60 -51.661 22.917 21.571 1.00 46.36 o

ATOM 184 OD2 ASP A 60 -49.925 22.960 23.002 1.00 49.71 o

ATOM 185 C ASP A 60 -49.736 19.684 19.573 1.00 41.84 C

ATOM 186 or ASP A 60 -49.272 18.651 20.054 1.00 41.74 o

ATOM 187 N ASP A 61 -49.412 20.138 18.363 1.00 42.84 N

ATOM 188 CA ASP A 61 -48.333 19.520 17.592 1.00 43.47 C

ATOM 189 CB ASP A 61 -48.478 19.691 16.073 1.00 44.01 C

ATOM 190 CG ASP A 61 -48.126 21.119 15.596 1.00 44.77 C

ATOM 191 ODl ASP A 61 -48.198 21.433 14.384 1.00 47.41 o

ATOM 192 OD2 ASP A 61 -47.777 21.890 16.465 1.00 41.95 o

ATOM 193 C ASP A 61 -47.038 20.089 18.157 1.00 44.04 C

ATOM 194 or ASP A 61 -47.116 20.817 19.142 1.00 45.51 o

ATOM 195 N ARG A 62 -45.876 19.739 17.594 1.00 43.43 N

ATOM 196 CA ARG A 62 -44.588 20.068 18.244 1.00 45.03 C

ATOM 197 CB ARG A 62 -43.432 19.309 17.612 1.00 44.19 C

ATOM 198 CG ARG A 62 -43.174 19.734 16.235 1.00 40.65 C

ATOM 199 CD ARG A 62 -42.028 19.018 15.678 1.00 44.32 C

ATOM 200 NE ARG A 62 -41.986 19.320 14.261 1.00 57.37 N

ATOM 201 CZ ARG A 62 -41.351 20.387 13.751 1.00 63.76 C

ATOM 202 NH1 ARG A 62 -40.691 21.233 14.567 1.00 60.76 N

ATOM 203 NH2 ARG A 62 -41.365 20.589 12.427 1.00 64.00 N

ATOM 204 C ARG A 62 -44.205 21.582 18.252 1.00 46.77 C ATOM 205 or ARG A 62 -43.362 21.998 19.056 1.00 46.24 o

ATOM 206 N THR A 63 -44.830 22.351 17.350 1.00 49.03 N

ATOM 207 CA THR A 63 -44.658 23.797 17.294 1.00 50.77 C

ATOM 208 CB THR A 63 -44.812 24.325 15.869 1.00 50.54 C

ATOM 209 OGl THR A 63 -46.187 24.222 15.488 1.00 49.87 o

ATOM 210 CG2 THR A 63 -43.925 23.554 14.880 1.00 49.55 c

ATOM 211 C THR A 63 -45.712 24.498 18.153 1.00 51.46 c

ATOM 212 or THR A 63 -45.881 25.698 18.000 1.00 53.40 o

ATOM 213 N GLY A 64 -46.418 23.760 19.029 1.00 50.91 N

ATOM 214 CA GLY A 64 -47.403 24.320 19.925 1.00 48.42 C

ATOM 215 C GLY A 64 -48.658 24.767 19.179 1.00 48.66 C

ATOM 216 or GLY A 64 -49.495 25.450 19.754 1.00 49.48 o

ATOM 217 N THR A 65 -48.825 24.421 17.902 1.00 47.53 N

ATOM 218 CA THR A 65 -50.090 24.729 17.170 1.00 45.92 C

ATOM 219 CB THR A 65 -49.843 24.676 15.722 1.00 46.47 C

ATOM 220 OGl THR A 65 -48.625 25.396 15.419 1.00 48.14 o

ATOM 221 CG2 THR A 65 -51.060 25.103 14.919 1.00 44.99 C

ATOM 222 C THR A 65 -51.155 23.649 17.478 1.00 45.69 C

ATOM 223 or THR A 65 -50.809 22.459 17.636 1.00 44.91 o

ATOM 224 N GLY A 66 -52.429 24.063 17.535 1.00 43.76 N

ATOM 225 CA GLY A 66 -53.509 23.296 18.179 1.00 40.20 C

ATOM 226 C GLY A 66 -54.225 22.374 17.195 1.00 37.78 C

ATOM 227 or GLY A 66 -54.503 22.721 16.035 1.00 37.31 o

ATOM 228 N THR A 67 -54.552 21.173 17.637 1.00 36.27 N

ATOM 229 CA THR A 67 -55.366 20.300 16.725 1.00 32.86 C

ATOM 230 CB THR A 67 -54.486 19.027 16.248 1.00 34.08 C

ATOM 231 OGl THR A 67 -54.213 18.252 17.441 1.00 30.60 o

ATOM 232 CG2 THR A 67 -53.154 19.495 15.597 1.00 24.29 C

ATOM 233 C THR A 67 -56.504 19.770 17.512 1.00 31.67 C

ATOM 234 or THR A 67 -56.479 19.752 18.749 1.00 30.38 o

ATOM 235 N LEU A 68 -57.497 19.287 16.801 1.00 32.86 N

ATOM 236 CA LEU A 68 -58.404 18.258 17.438 1.00 34.33 C

ATOM 237 CB LEU A 68 -59.872 18.455 16.970 1.00 34.10 C

ATOM 238 CG LEU A 68 -60.526 19.720 17.562 1.00 33.87 C

ATOM 239 CD1 LEU A 68 -61.964 19.723 17.078 1.00 33.90 C

ATOM 240 CD2 LEU A 68 -60.488 19.713 19.069 1.00 33.31 C

ATOM 241 C LEU A 68 -57.900 16.803 17.102 1.00 33.20 C

ATOM 242 or LEU A 68 -57.721 16.464 15.938 1.00 34.80 o

ATOM 243 N SER A 69 -57.640 16.001 18.114 1.00 33.31 N

ATOM 244 CA SER A 69 -56.925 14.682 17.957 1.00 33.40 C

ATOM 245 CB SER A 69 -55.716 14.637 18.872 1.00 33.22 C ATOM 246 OG SER A 69 -54.813 13.627 18 480 1.00 34.08 O

ATOM 247 C SER A 69 -57.756 13.462 18 361 1.00 32.43 C

ATOM 248 or SER A 69 -58.357 13.469 19.434 1.00 30.28 0

ATOM 249 N VAL A 70 -57.706 12.423 17 535 1.00 32.07 N

ATOM 250 CA VAL A 70 -58.193 11.029 17 890 1.00 32.16 C

ATOM 251 CB VAL A 70 -59.446 10.633 17 087 1.00 31.02 C

ATOM 252 CGI VAL A 70 -59.772 9.069 17 145 1.00 32.85 C

ATOM 253 CG2 VAL A 70 -60.682 11.382 17 671 1.00 35.38 C

ATOM 254 C VAL A 70 -57.022 10.067 17 666 1.00 31.20 c

ATOM 255 or VAL A 70 -56.367 10.182 16.643 1.00 32.34 o

ATOM 256 N PHE A 71 -56.721 9.217 18. 655 1.00 30.37 N

ATOM 257 CA PHE A 71 -55.737 8.098 18. 492 1.00 29.52 C

ATOM 258 CB PHE A 71 -5 .980 7.850 19. 798 1.00 26.04 C

ATOM 259 CG PHE A 71 -53.741 6.985 19. 628 1.00 25.13 C

ATOM 260 CD1 PHE A 71 -53.569 5.811 20. 407 1.00 22.31 c

ATOM 261 CE1 PHE A 71 -52.406 5.022 20. 285 1.00 24.30 c

ATOM 262 CZ PHE A 71 -51.400 5.384 19. 414 1.00 22.89 c

ATOM 263 CE2 PHE A 71 -51.544 6.529 18. 618 1.00 26.64 c

ATOM 264 CD2 PHE A 71 -52.739 7.329 18. 738 1.00 29.41 c

ATOM 265 C PHE A 71 -56.313 6.739 17. 929 1.00 29.24 c

ATOM 266 or PHE A 71 -57.144 6.117 18 .573 1.00 29.30 0

ATOM 267 N GLY A 72 -55.889 6.346 16. 722 1.00 30.63 N

ATOM 268 CA GLY A 72 -56.269 5.033 16. 129 1.00 28.99 c

ATOM 269 C GLY A 72 -57.461 5.006 15. 235 1.00 29.10 c

ATOM 270 or GLY A 72 -58.596 5.071 15 .705 1.00 28.38 0

ATOM 271 N MET A 73 -57.240 4.899 13. 926 1.00 26.46 N

ATOM 272 CA MET A 73 -58.370 4.950 13. 050 1.00 27.15 C

ATOM 273 CB MET A 73 -58.555 6.428 12. 485 1.00 28.18 C

ATOM 274 CG MET A 73 -59.008 7.532 13. 553 1.00 35.67 C

ATOM 275 SD MET A 73 -59.727 9.001 12. 686 1.00 38.13 S

ATOM 276 CE MET A 73 -61.422 8.994 13. 305 1.00 35.57 c

ATOM 277 C MET A 73 -57.990 4.098 11. 893 1.00 21.87 c

ATOM 278 or MET A 73 -56.840 3.858 11 .710 1.00 20.27 0

ATOM 279 N GLN A 74 -58.939 3.691 11. 060 1.00 20.76 N

ATOM 280 CA GLN A 74 -58.582 2.985 9. 877 1.00 21.68 C

ATOM 281 CB GLN A 74 -58.479 1.415 10. 247 1.00 19.01 C

ATOM 282 CG GLN A 74 -58.105 0.591 9. 088 1.00 20.61 c

ATOM 283 CD GLN A 74 -57.784 -0.948 9. 615 1.00 26.69 c

ATOM 284 OE1 GLN A 74 -58.663 -1.739 9. 642 1.00 28.78 0

ATOM 285 NE2 GLN A 74 -56.593 -1.213 10. 078 1.00 19.57 N

ATOM 286 C GLN A 74 -59.672 3.125 8. 924 1.00 20.77 C ATOM 287 or GLN A 74 -60.756 3.097 9.348 1.00 24.47 0

ATOM 288 N ALA A 75 -59.381 3.128 7.634 1.00 21.79 N

ATOM 289 CA ALA A 75 -60.324 3.144 6.533 1.00 24.01 C

ATOM 290 CB ALA A 75 -60.326 4.649 5.791 1.00 20.32 C

ATOM 291 C ALA A 75 -59.782 2.164 5.468 1.00 24.37 C

ATOM 292 or ALA A 75 -58.579 2.080 5.282 1.00 25.50 o

ATOM 293 N ARG A 76 -60.687 1.582 4.707 1.00 26.17 N

ATOM 294 CA ARG A 76 -60.450 0.723 3.577 1.00 27.99 C

ATOM 295 CB ARG A 76 -61.158 -0.721 3.814 1.00 26.83 C

ATOM 296 CG ARG A 76 -60.842 -1.779 2.673 1.00 29.42 C

ATOM 297 CD ARG A 76 -61.395 -3.391 2.847 1.00 30.27 C

ATOM 298 NE ARG A 76 -60.882 -3.871 4.092 1.00 34.41 N

ATOM 299 CZ ARG A 76 -59.772 -4.579 4.323 1.00 31.08 C

ATOM 300 NH1 ARG A 76 -59.394 -4.715 5.594 1.00 32.67 N

ATOM 301 NH2 ARG A 76 -59.121 -5.217 3.382 1.00 32.53 N

ATOM 302 C ARG A 76 -60.964 1.346 2.266 1.00 27.62 C

ATOM 303 or ARG A 76 -62.100 1.709 2.185 1.00 30.47 o

ATOM 304 N TYR A 77 -60.164 1.411 1.233 1.00 27.86 N

ATOM 305 CA TYR A 77 -60.602 1.929 -0.032 1.00 30.05 C

ATOM 306 CB TYR A 77 -59.767 3.251 -0.453 1.00 30.29 C

ATOM 307 CG TYR A 77 -59.873 4.337 0.606 1.00 29.52 C

ATOM 308 CD1 TYR A 77 -60.935 5.325 0.538 1.00 27.89 C

ATOM 309 CE1 TYR A 77 -61.139 6.312 1.597 1.00 29.01 C

ATOM 310 CZ TYR A 77 -60.262 6.396 2.606 1.00 31.45 C

ATOM 311 OH TYR A 77 -60.478 7.402 3.605 1.00 37.95 o

ATOM 312 CE2 TYR A 77 -59.129 5.407 2.684 1.00 32.31 c

ATOM 313 CD2 TYR A 77 -58.972 4.405 1.636 1.00 23.13 c

ATOM 314 C TYR A 77 -60.279 0.834 -1.033 1.00 32.73 c

ATOM 315 or TYR A 77 -59.087 0.437 -1.167 1.00 32.32 o

ATOM 316 N SER A 78 -61.304 0.393 -1.776 1.00 34.14 N

ATOM 317 CA SER A 78 -61.103 -0.502 -2.872 1.00 36.66 C

ATOM 318 CB SER A 78 -62.448 -1.120 -3.326 1.00 36.70 C

ATOM 319 OG SER A 78 -62.228 -1.751 -4.562 1.00 38.95 o

ATOM 320 C SER A 78 -60.363 0.099 -4.046 1.00 37.20 c

ATOM 321 or SER A 78 -60.596 1.253 -4.416 1.00 39.72 o

ATOM 322 N LEU A 79 -59.478 -0.676 -4.667 1.00 35.75 N

ATOM 323 CA LEU A 79 -58.725 -0.191 -5.809 1.00 34.81 C

ATOM 324 CB LEU A 79 -57.216 -0.447 -5.622 1.00 33.84 C

ATOM 325 CG LEU A 79 -56.487 0.122 -4.403 1.00 31.10 C

ATOM 326 CD1 LEU A 79 -54.949 -0.174 -4.363 1.00 25.68 C

ATOM 327 CD2 LEU A 79 -56.713 1.663 -4.353 1.00 30.89 C ATOM 328 C LEU A 79 -59.193 -0.956 -7.019 1.00 36.51 C

ATOM 329 or LEU A 79 -58.550 -0.932 -8.039 1.00 37.44 O

ATOM 330 N ARG A 80 -60.316 -1.661 -6.907 1.00 39.23 N

ATOM 331 CA ARG A 80 -60.789 -2.500 -8.013 1.00 42.39 C

ATOM 332 CB ARG A 80 -61.587 -3.690 -7.463 1.00 41.37 C

ATOM 333 CG ARG A 80 -60.788 -4.397 -6.347 1.00 43.04 C

ATOM 334 CD ARG A 80 -61.425 -5.716 -5.895 1.00 43.52 C

ATOM 335 NE ARG A 80 -60.621 -6.329 -4.866 1.00 39.83 N

ATOM 336 CZ ARG A 80 -60.613 -5.943 -3.598 1.00 39.52 C

ATOM 337 NH1 ARG A 80 -61.399 -4.954 -3.189 1.00 35.42 N

ATOM 338 NH2 ARG A 80 -59.782 -6.554 -2.741 1.00 39.36 N

ATOM 339 C ARG A 80 -61.640 -1.721 -8.986 1.00 44.23 C

ATOM 340 or ARG A 80 -62.797 -1.373 -8.656 1.00 45.29 O

ATOM 341 N ASP A 81 -61.096 -1.471 -10.175 1.00 46.29 N

ATOM 342 CA ASP A 81 -61.795 -0.705 -11.201 1.00 50.04 C

ATOM 343 CB ASP A 81 -63.044 -1.468 -11.718 1.00 52.13 C

ATOM 344 CG ASP A 81 -62.741 -2.908 -12.157 1.00 57.94 C

ATOM 345 OD1 ASP A 81 -61.752 -3.092 -12.916 1.00 63.15 O

ATOM 346 OD2 ASP A 81 -63.506 -3.842 -11.737 1.00 64.50 O

ATOM 347 C ASP A 81 -62.215 0.734 -10.768 1.00 50.34 C

ATOM 348 or ASP A 81 -63.089 1.294 -11.396 1.00 53.03 O

ATOM 349 N GLU A 82 -61.617 1.293 -9.710 1.00 49.87 N

ATOM 350 CA GLU A 82 -61.753 2.693 -9.265 1.00 48.34 C

ATOM 351 CB GLU A 82 -62.899 2.877 -8.246 1.00 48.18 C

ATOM 352 CG GLU A 82 -62.938 1.871 -7.084 1.00 50.78 C

ATOM 353 CD GLU A 82 -63.747 2.355 -5.839 1.00 51.70 C

ATOM 354 OE1 GLU A 82 -64.960 2.297 -5.944 1.00 54.00 O

ATOM 355 OE2 GLU A 82 -63.191 2.737 -4.727 1.00 59.71 O

ATOM 356 C GLU A 82 -60.421 3.095 -8.616 1.00 46.07 C

ATOM 357 or GLU A 82 -59.598 2.230 -8.238 1.00 44.36 O

ATOM 358 N PHE A 83 -60.219 4.407 -8.471 1.00 42.55 N

ATOM 359 CA PHE A 83 -59.041 4.963 -7.853 1.00 39.49 C

ATOM 360 CB PHE A 83 -58.131 5.562 -8.910 1.00 38.21 C

ATOM 361 CG PHE A 83 -56.823 6.025 -8.360 1.00 39.73 C

ATOM 362 CD1 PHE A 83 -56.703 7.300 -7.818 1.00 36.66 C

ATOM 363 CE1 PHE A 83 -55.490 7.753 -7.269 1.00 38.56 C

ATOM 364 CZ PHE A 83 -54.360 6.868 -7.270 1.00 37.23 c

ATOM 365 CE2 PHE A 83 -54.501 5.616 -7.799 1.00 32.16 c

ATOM 366 CD2 PHE A 83 -55.702 5.160 -8.316 1.00 33.71 c

ATOM 367 C PHE A 83 -59.468 6.017 -6.851 1.00 38.30 c

ATOM 368 or PHE A 83 -60.147 6.986 -7.236 1.00 38.27 O ATOM 369 N PRO A 84 -59.011 5.882 -5.579 1.00 36.66 N

ATOM 370 CA PRO A 84 -59.534 6.688 -4.497 1.00 35.09 C

ATOM 371 CB PRO A 84 -59.197 5.844 -3.242 1.00 34.39 C

ATOM 372 CG PRO A 84 -57.847 5.139 -3.628 1.00 32.31 C

ATOM 373 CD PRO A 84 -57.889 5.015 -5.133 1.00 35.87 C

ATOM 374 C PRO A 84 -58.937 8.138 -4.481 1.00 34.66 C

ATOM 375 or PRO A 84 -58.420 8.602 -3.432 1.00 33.29 o

ATOM 376 N LEU A 85 -59.022 8.834 -5.632 1.00 33.30 N

ATOM 377 CA LEU A 85 -58.734 10.338 -5.685 1.00 34.69 C

ATOM 378 CB LEU A 85 -58.435 10.783 -7.136 1.00 34.05 C

ATOM 379 CG LEU A 85 -57.707 12.178 -7.326 1.00 34.94 C

ATOM 380 CD1 LEU A 85 -56.504 12.445 -6.424 1.00 32.08 C

ATOM 381 CD2 LEU A 85 -57.356 12.515 -8.851 1.00 34.71 C

ATOM 382 C LEU A 85 -59.954 11.119 -5.119 1.00 32.00 C

ATOM 383 or LEU A 85 -60.998 11.074 -5.702 1.00 33.04 o

ATOM 384 N LEU A 86 -59.882 11.654 -3.939 1.00 32.59 N

ATOM 385 CA LEU A 86 -61.074 12.199 -3.280 1.00 35.60 C

ATOM 386 CB LEU A 86 -60.750 12.789 -1.865 1.00 36.42 C

ATOM 387 CG LEU A 86 -60.323 11.806 -0.762 1.00 36.67 C

ATOM 388 CD1 LEU A 86 -60.280 12.393 0.573 1.00 32.84 C

ATOM 389 CD2 LEU A 86 -61.172 10.603 -0.691 1.00 38.60 C

ATOM 390 C LEU A 86 -61.818 13.252 -4.143 1.00 36.71 C

ATOM 391 or LEU A 86 -61.212 13.993 -4.973 1.00 36.03 o

ATOM 392 N THR A 87 -63.148 13.259 -3.984 1.00 39.46 N

ATOM 393 CA THR A 87 -64.053 14.099 -4.835 1.00 39.64 C

ATOM 394 CB THR A 87 -65.190 13.310 -5.541 1.00 39.94 C

ATOM 395 OGl THR A 87 -66.015 12.678 -4.554 1.00 38.63 o

ATOM 396 CG2 THR A 87 -64.636 12.298 -6.512 1.00 37.77 C

ATOM 397 C THR A 87 -64.712 15.296 -4.079 1.00 40.31 C

ATOM 398 or THR A 87 -65.291 16.174 -4.708 1.00 40.54 o

ATOM 399 N THR A 88 -64.595 15.366 -2.764 1.00 39.50 N

ATOM 400 CA THR A 88 -65.296 16.393 -2.096 1.00 38.79 C

ATOM 401 CB THR A 88 -65.724 16.008 -0.683 1.00 37.53 C

ATOM 402 OGl THR A 88 -64.590 15.776 0.144 1.00 38.10 o

ATOM 403 CG2 THR A 88 -66.712 14.856 -0.708 1.00 36.09 C

ATOM 404 C THR A 88 -64.532 17.710 -2.128 1.00 40.85 C

ATOM 405 or THR A 88 -64.991 18.732 -1.578 1.00 39.81 o

ATOM 406 N LYS A 89 -63.363 17.658 -2.766 1.00 41.22 N

ATOM 407 CA LYS A 89 -62.435 18.772 -2.879 1.00 41.24 C

ATOM 408 CB LYS A 89 -61.689 19.014 -1.596 1.00 41.01 C

ATOM 409 CG LYS A 89 -60.327 18.453 -1.539 1.00 37.97 C ATOM 410 CD LYS A 89 -59.699 18.899 -0.247 1.00 34.61 C

ATOM 411 CE LYS A 89 -58.376 18.216 -0.083 1.00 29.63 C

ATOM 412 NZ LYS A 89 -57.814 18.558 1.271 1.00 31.30 N

ATOM 413 C LYS A 89 -61.546 18.331 -4.011 1.00 42.59 C

ATOM 414 or LYS A 89 -61.462 17.125 -4.297 1.00 43.92 o

ATOM 415 N ARG A 90 -61.024 19.282 -4.786 1.00 42.50 N

ATOM 416 CA ARG A 90 -60.230 18.864 -5.917 1.00 42.72 C

ATOM 417 CB ARG A 90 -60.285 19.796 -7.104 1.00 42.99 C

ATOM 418 CG ARG A 90 -59.160 19.518 -8.124 1.00 46.30 C

ATOM 419 CD ARG A 90 -59.015 20.594 -9.239 1.00 44.38 C

ATOM 420 NE ARG A 90 -60.220 20.694 -10.064 1.00 46.23 N

ATOM 421 CZ ARG A 90 -60.526 19.878 -11.059 1.00 50.92 C

ATOM 422 NH1 ARG A 90 -59.741 18.814 -11.380 1.00 55.23 N

ATOM 423 NH2 ARG A 90 -61.642 20.089 -11.712 1.00 48.65 N

ATOM 424 C ARG A 90 -58.794 18.600 -5.403 1.00 41.58 C

ATOM 425 or ARG A 90 -58.226 19.446 -4.639 1.00 40.68 o

ATOM 426 N VAL A 91 -58.286 17.378 -5.710 1.00 39.51 N

ATOM 427 CA VAL A 91 -56.941 16.993 -5.250 1.00 37.71 C

ATOM 428 CB VAL A 91 -56.937 15.559 -4.551 1.00 39.16 C

ATOM 429 CGI VAL A 91 -55.482 14.991 -4.286 1.00 37.97 C

ATOM 430 CG2 VAL A 91 -57.680 15.659 -3.215 1.00 36.52 C

ATOM 431 C VAL A 91 -55.949 17.197 -6.359 1.00 35.91 C

ATOM 432 or VAL A 91 -56.221 16.912 -7.498 1.00 34.89 o

ATOM 433 N PHE A 92 -54.798 17.761 -6.033 1.00 38.33 N

ATOM 434 CA PHE A 92 -53.767 18.084 -7.042 1.00 39.24 C

ATOM 435 CB PHE A 92 -52.740 19.173 -6.494 1.00 38.50 C

ATOM 436 CG PHE A 92 -51.730 19.661 -7.555 1.00 37.98 c

ATOM 437 CD1 PHE A 92 -52.076 19.682 -8.910 1.00 40.00 c

ATOM 438 CE1 PHE A 92 -51.154 20.138 -9.915 1.00 41.88 c

ATOM 439 CZ PHE A 92 -49.848 20.531 -9.502 1.00 40.13 c

ATOM 440 CE2 PHE A 92 -49.490 20.469 -8.150 1.00 36.45 c

ATOM 441 CD2 PHE A 92 -50.424 20.041 -7.194 1.00 40.93 c

ATOM 442 C PHE A 92 -53.060 16.717 -7.519 1.00 41.47 c

ATOM 443 or PHE A 92 -51.970 16.392 -7.070 1.00 40.66 o

ATOM 444 N TRP A 93 -53.729 15.993 -8.420 1.00 42.94 N

ATOM 445 CA TRP A 93 -53.317 14.739 -8.935 1.00 46.34 c

ATOM 446 CB TRP A 93 -54.312 14.202 -9.962 1.00 48.81 c

ATOM 447 CG TRP A 93 -53.743 13.010 -10.720 1.00 52.39 c

ATOM 448 CD1 TRP A 93 -53.408 12.946 -12.063 1.00 53.77 c

ATOM 449 NE1 TRP A 93 -52.911 11.691 -12.376 1.00 53.83 N

ATOM 450 CE2 TRP A 93 -52.897 10.922 -11.239 1.00 56.11 c ATOM 451 CD2 TRP A 93 -53.413 11.715 -10.169 1.00 55.56 C

ATOM 452 CE3 TRP A 93 -53.504 11.145 -8.874 1.00 54.21 C

ATOM 453 CZ3 TRP A 93 -53.087 9.821 -8.689 1.00 53.71 C

ATOM 454 CH2 TRP A 93 -52.576 9.055 -9.771 1.00 53.51 C

ATOM 455 CZ2 TRP A 93 -52.472 9.583 -11.047 1.00 55.47 C

ATOM 456 C TRP A 93 -51.960 14.832 -9.586 1.00 47.45 C

ATOM 457 or TRP A 93 -51.117 14.001 -9.275 1.00 47.40 O

ATOM 458 N LYS A 94 -51.733 15.821 -10.474 1.00 47.21 N

ATOM 459 CA LYS A 94 -50.370 16.076 -11.067 1.00 45.58 C

ATOM 460 CB LYS A 94 -50.328 17.341 -11.952 1.00 48.59 C

ATOM 461 CG LYS A 94 -48.913 18.023 -12.224 1.00 49.86 C

ATOM 462 CD LYS A 94 -48.722 18.267 -13.761 1.00 59.16 C

ATOM 463 CE LYS A 94 -47.901 19.556 -14.104 1.00 60.71 C

ATOM 464 NZ LYS A 94 -46.545 19.643 -13.399 1.00 64.89 N

ATOM 465 C LYS A 94 -49.228 16.069 -10.075 1.00 42.91 C

ATOM 466 or LYS A 94 -48.229 15.442 -10.353 1.00 42.86 O

ATOM 467 N GLY A 95 -49.376 16.708 -8.919 1.00 40.22 N

ATOM 468 CA GLY A 95 -48.305 16.738 -7.930 1.00 38.05 C

ATOM 469 C GLY A 95 -48.172 15.438 -7.094 1.00 39.67 C

ATOM 470 or GLY A 95 -47.111 15.176 -6.467 1.00 36.35 O

ATOM 471 N VAL A 96 -49.266 14.657 -7.025 1.00 39.59 N

ATOM 472 CA VAL A 96 -49.227 13.345 -6.338 1.00 41.41 C

ATOM 473 CB VAL A 96 -50.668 12.715 -6.234 1.00 41.24 C

ATOM 474 CGI VAL A 96 -50.612 11.214 -5.907 1.00 36.87 C

ATOM 475 CG2 VAL A 96 -51.538 13.560 -5.223 1.00 39.49 C

ATOM 476 C VAL A 96 -48.227 12.457 -7.152 1.00 41.42 C

ATOM 477 or VAL A 96 -47.262 11.996 -6.586 1.00 41.74 O

ATOM 478 N LEU A 97 -48.462 12.358 -8.457 1.00 42.18 N

ATOM 479 CA LEU A 97 -47.690 11.639 -9.455 1.00 44.77 C

ATOM 480 CB LEU A 97 -48.308 11.880 -10.840 1.00 44.34 C

ATOM 481 CG LEU A 97 -47.888 11.043 -12.073 1.00 43.79 C

ATOM 482 CD1 LEU A 97 -47.791 9.468 -11.803 1.00 42.40 C

ATOM 483 CD2 LEU A 97 -48.812 11.291 -13.225 1.00 43.29 C

ATOM 484 C LEU A 97 -46.254 12.060 -9.511 1.00 46.90 C

ATOM 485 or LEU A 97 -45.347 11.271 -9.302 1.00 47.84 O

ATOM 486 N GLU A 98 -46.073 13.344 -9.749 1.00 48.24 N

ATOM 487 CA GLU A 98 -44.800 13.965 -9.872 1.00 49.56 C

ATOM 488 CB GLU A 98 -44.993 15.493 -10.000 1.00 51.71 C

ATOM 489 CG GLU A 98 -44.356 16.146 -11.190 1.00 59.92 C

ATOM 490 CD GLU A 98 -44.917 15.661 -12.568 1.00 71.10 C

ATOM 491 OE1 GLU A 98 -46.179 15.670 -12.797 1.00 74.67 O ATOM 492 OE2 GLU A 98 -44.066 15.282 -13.436 1.00 73.52 o

ATOM 493 C GLU A 98 -43.969 13.682 -8.653 1 .00 48.21 C

ATOM 494 or GLU A 98 -42.823 13.311 -8.782 1.00 49.13 o

ATOM 495 N GLU A 99 -44.500 13.891 -7.469 1 .00 46.53 N

ATOM 496 CA GLU A 99 -43.681 13.730 -6.275 1 .00 46.82 C

ATOM 497 CB GLU A 99 -44.427 14.285 -5.067 1 .00 46.66 C

ATOM 498 CG GLU A 99 -43.643 14.327 -3.751 1 .00 50.39 C

ATOM 499 CD GLU A 99 -44.535 14.118 -2.486 1 .00 53.42 C

ATOM 500 OEl GLU A 99 -45.546 13.362 -2.560 1 .00 61.37 o

ATOM 501 OE2 GLU A 99 -44.195 14.661 -1.393 1 .00 59.26 o

ATOM 502 C GLU A 99 -43.357 12.241 -5.973 1 .00 45.31 C

ATOM 503 or GLU A 99 -42.303 11.949 -5.391 1.00 45.14 o

ATOM 504 N LEU A 100 -44.314 11.348 -6.242 1 .00 42.65 N

ATOM 505 CA LEU A 100 -44.102 9.926 -6.071 1 .00 41.70 C

ATOM 506 CB LEU A 100 -45.393 9.137 -6.375 1 .00 39.92 C

ATOM 507 CG LEU A 100 -45.248 7.622 -6.016 1 .00 38.97 C

ATOM 508 CD1 LEU A 100 -44.970 7.401 -4.588 1 .00 32.68 C

ATOM 509 CD2 LEU A 100 -46.383 6.764 -6.485 1 .00 37.91 C

ATOM 510 C LEU A 100 -42.907 9.435 -7.021 1 .00 42.08 C

ATOM 511 or LEU A 100 -42.040 8.803 -6.578 1.00 40.50 o

ATOM 512 N LEU A 101 -42.947 9.799 -8.300 1 .00 43.10 N

ATOM 513 CA LEU A 101 -42.006 9.433 -9.311 1 .00 45.35 C

ATOM 514 CB LEU A 101 -42.408 10.056 - -10.635 1 .00 44.88 C

ATOM 515 CG LEU A 101 -43.520 9.254 - -11.279 1 .00 44.37 C

ATOM 516 CD1 LEU A 101 -43.925 9.890 - -12.595 1 .00 39.42 C

ATOM 517 CD2 LEU A 101 -43.083 7.805 - -11.486 1 .00 44.33 C

ATOM 518 C LEU A 101 -40.619 9.859 -8.900 1 .00 47.05 C

ATOM 519 or LEU A 101 -39.653 9.092 -9.042 I.00 47.59 o

ATOM 520 N TRP A 102 -40.568 11.046 -8.305 1 .00 47.96 N

ATOM 521 CA TRP A 102 -39.416 11.631 -7.666 1 .00 48.07 C

ATOM 522 CB TRP A 102 -39.789 13.043 -7.114 1 .00 48.71 C

ATOM 523 CG TRP A 102 -38.622 13.851 -6.559 1 .00 48.01 C

ATOM 524 CD1 TRP A 102 -37.575 14.363 -7.284 1 .00 49.13 C

ATOM 525 NE1 TRP A 102 -36.694 15.036 -6.446 1 .00 49.93 N

ATOM 526 CE2 TRP A 102 -37.166 14.989 -5.168 1 .00 48.41 C

ATOM 527 CD2 TRP A 102 -38.393 14.251 -5.195 1 .00 48.65 C

ATOM 528 CE3 TRP A 102 -39.102 14.076 -3.992 1 00 50.47 c

ATOM 529 CZ3 TRP A 102 -38.570 14.632 -2.806 1 .00 49.66 c

ATOM 530 CH2 TRP A 102 -37.353 15.352 -2.825 1 .00 49.97 c

ATOM 531 CZ2 TRP A 102 -36.629 15.525 -3.997 1 .00 49.29 c

ATOM 532 C TRP A 102 -38.904 10.780 -6.547 1 .00 49.00 c ATOM 533 or TRP A 102 -37.697 10.582 -6.446 1.00 49.48 o

ATOM 534 N PHE A 103 -39.794 10.373 -5.634 1.00 49.77 N

ATOM 535 CA PHE A 103 -39.433 9.477 -4.530 1.00 50.78 C

ATOM 536 CB PHE A 103 -40.650 9.177 -3.675 1.00 53.47 C

ATOM 537 CG PHE A 103 -40.917 10.217 -2.628 1.00 55.36 c

ATOM 538 CD1 PHE A 103 -39.993 10.478 -1.664 1.00 58.46 c

ATOM 539 CE1 PHE A 103 -40.224 11.483 -0.675 1.00 61.04 c TOM 540 CZ PHE A 103 -41.394 12.188 -0.670 1.00 59.40 c

ATOM 541 CE2 PHE A 103 -42.359 11.916 -1.641 1.00 61.35 c

ATOM 542 CD2 PHE A 103 -42.109 10.937 -2.623 1.00 60.73 c

ATOM 543 C PHE A 103 -38.877 8.136 -5.028 1.00 49.86 c

ATOM 544 or PHE A 103 -37.884 7.670 -4.494 1.00 49.94 o

ATOM 545 N ILE A 104 -39.522 7.553 -6.037 1.00 50.03 N

ATOM 546 CA ILE A 104 -39.119 6.301 -6.670 1.00 52.20 C

ATOM 547 CB ILE A 104 -40.191 5.812 -7.665 1.00 50.69 C

ATOM 548 CGI ILE A 104 -41.459 5.271 -6.995 1.00 44.98 c

ATOM 549 CD1 ILE A 104 -42.571 5.158 -8.036 1.00 38.37 c

ATOM 550 CG2 ILE A 104 -39.641 4.744 -8.575 1.00 49.87 c

ATOM 551 C ILE A 104 -37.706 6.380 -7.394 1.00 55.96 c

ATOM 552 or ILE A 104 -37.158 5.376 -7.762 1.00 56.69 o

ATOM 553 N LYS A 105 -37.132 7.567 -7.605 1.00 59.45 N

ATOM 554 CA LYS A 105 -35.782 7.659 -8.150 1.00 62.33 C

ATOM 555 CB LYS A 105 -35.727 8.481 -9.460 1.00 62.29 C

ATOM 556 CG LYS A 105 -35.667 9.987 -9.359 1.00 63.14 C

ATOM 557 CD LYS A 105 -36.119 10.535 - 10.750 1.00 67.82 c

ATOM 558 CE LYS A 105 -36.957 11.890 - 10.715 1.00 68.25 c

ATOM 559 NZ LYS A 105 -38.268 11.903 - 11.540 1.00 62.53 N

ATOM 560 C LYS A 105 -34.733 8.052 -7.091 1.00 64.20 C

ATOM 561 or LYS A 105 -33.569 8.316 -7.401 1.00 65.50 o

ATOM 562 N GLY A 106 -35.127 8.045 -5.834 1.00 65.67 N

ATOM 563 CA GLY A 106 -34.170 8.211 -4.770 1.00 69.07 C

ATOM 564 C GLY A 106 -33.664 9.631 -4.635 1.00 72.36 C

ATOM 565 or GLY A 106 -32.670 9.881 -3.934 1.00 72.49 o

ATOM 566 N SER A 107 -34.356 10.576 -5.276 1.00 75.23 N

ATOM 567 CA SER A 107 -33.900 11.967 -5.290 1.00 78.10 C

ATOM 568 CB SER A 107 -34.696 12.778 -6.310 1.00 77.92 C

ATOM 569 OG SER A 107 -33.960 13.911 -6.732 1.00 77.40 o

ATOM 570 C SER A 107 -33.827 12.680 -3.914 1.00 80.29 C

ATOM 571 or SER A 107 -34.770 12.619 -3.095 1.00 80.33 o

ATOM 572 N THR A 108 -32.652 13.282 -3.676 1.00 83.08 N

ATOM 573 CA THR A 108 -32.409 14.293 -2.640 1.00 85.96 C ATOM 574 CB THR A 108 -31 230 13.911 -1.672 1.00 85.87 C

ATOM 575 OGl THR A 108 -30 038 13.643 -2.421 1.00 86.25 o

ATOM 576 CG2 THR A 108 -31 575 12.688 -0.830 1.00 86.33 C

ATOM 577 C THR A 108 -32. 169 15.680 -3.313 1.00 88.08 C

ATOM 578 or THR A 108 -31.520 16.574 -2.734 1.00 88.16 o

ATOM 579 N ASN A 109 -32. 725 15.855 -4.522 1.00 90.69 N

ATOM 580 CA ASN A 109 -32. 581 17.105 -5.312 1.00 93.37 C

ATOM 581 CB ASN A 109 -31. 964 16.793 -6.687 1.00 93.22 C

ATOM 582 CG ASN A 109 -31. 009 17.881 -7.168 1.00 93.60 C

ATOM 583 ODl ASN A 109 -29. 972 18.140 -6.545 1.00 92.19 o

ATOM 584 ND2 ASN A 109 -31. 351 18.513 -8.292 1.00 93.61 N

ATOM 585 C ASN A 109 -33. 867 17.975 -5.463 1.00 95.17 C

ATOM 586 or ASN A 109 -34 .698 17.736 -6.361 1.00 94.96 o

ATOM 587 N ALA A 110 -33. 999 18.983 -4.589 1.00 97.64 N

ATOM 588 CA ALA A 110 -35. 189 19.859 -4.516 1.00100.21 C

ATOM 589 CB ALA A 110 -34. 929 21.017 -3.530 1.00100.02 C

ATOM 590 C ALA A 110 -35. 712 20.399 -5.866 1.00102.02 C

ATOM 591 or ALA A 110 -36.919 20.599 -6.032 1.00101.89 o

ATOM 592 N LYS A 111 -34. 793 20.596 -6.818 1.00104.66 N

ATOM 593 CA LYS A 111 -35. 056 21.270 -8.106 1.00107.24 C

ATOM 594 CB LYS A 111 -33. 754 21.852 -8.687 1.00107.18 C

ATOM 595 CG LYS A 111 -32. 633 21.967 -7.659 1.00107.87 C

ATOM 596 CD LYS A 111 -32. 089 23.373 -7.551 1.00109.24 C

ATOM 597 CE LYS A 111 -31. 380 23.557 -6.212 1.00110.74 C

ATOM 598 NZ LYS A 111 -30. 963 24.975 -5.958 1.00110.67 N

ATOM 599 C LYS A 111 -35. 793 20.422 -9.163 1.00108.99 C

ATOM 600 or LYS A 111 -36 .301 20.966 -10.155 1.00109.31 o

ATOM 601 N GLU A 112 -35. 851 19.104 -8.941 1.00111.16 N

ATOM 602 CA GLU A 112 -36. 616 18.170 -9.792 1.00113.09 C

ATOM 603 CB GLU A 112 -36. 038 16.748 -9.708 1.00112.90 C

ATOM 604 CG GLU A 112 -34. 495 16.667 -9.702 1.00113.96 C

ATOM 605 CD GLU A 112 -33. 957 15.232 -9.743 1.00114.24 C

ATOM 606 OEl GLU A 112 -32. 885 14.971 -9.141 1.00114.77 o

ATOM 607 OE2 GLU A 112 -34. 601 14.361 - -10.380 1.00116.62 o TOM 608 C GLU A 112 -38. 103 18.169 -9.399 1.00114.01 C

ATOM 609 or GLU A 112 -38 .971 17.695 -10.150 1.00114.26 o

ATOM 610 N LEU A 113 -38. 385 18.702 -8.216 1.00115.27 N

ATOM 611 CA LEU A 113 -39. 750 18.897 -7.762 1.00116.63 C

ATOM 612 CB LEU A 113 -39. 904 18.252 -6.379 1.00116.35 C

ATOM 613 CG LEU A 113 -41. 248 17.645 -6.004 1.00115.62 C

ATOM 614 CD1 LEU A 113 -41. 615 16.567 -6.992 1.00114.52 C ATOM 615 CD2 LEU A 113 -41.193 17.111 -4.592 1.00116.08 C

ATOM 616 C LEU A 113 -40.079 20.415 -7.748 1.00118.07 C

ATOM 617 or LEU A 113 -40.878 20.896 -6.927 1.00118.08 O

ATOM 618 N SER A 114 -39.457 21.162 -8.668 1.00119.68 N

ATOM 619 CA SER A 114 -39.558 22.631 -8.685 1.00121.24 C

ATOM 620 CB SER A 114 -38.171 23.274 -8.804 1.00121.12 C

ATOM 621 OG SER A 114 -37.577 23.425 -7.527 1.00120.86 O

ATOM 622 C SER A 114 -40.497 23.177 -9.765 1.00122.51 C

ATOM 623 or SER A 114 -41.567 23.727 -9.451 1.00122.38 O

ATOM 624 N SER A 115 -40.086 23.027 -11.029 1.00124.18 N

ATOM 625 CA SER A 115 -40.880 23.483 -12.190 1.00125.68 C

ATOM 626 CB SER A 115 -39.972 23.867 -13.392 1.00125.63 C

ATOM 627 OG SER A 115 -39.333 22.748 -13.998 1.00125.53 O

ATOM 628 C SER A 115 -42.019 22.494 -12.576 1.00126.61 C

ATOM 629 or SER A 115 -42.232 22.165 -13.761 1.00126.73 O

ATOM 630 N LYS A 116 -42.745 22.045 -11.549 1.00127.45 N

ATOM 631 CA LYS A 116 -43.893 21.153 -11.694 1.00128.14 C

ATOM 632 CB LYS A 116 -43.660 19.853 -10.894 1.00128.16 C

ATOM 633 CG LYS A 116 -42.186 19.386 -10.806 1.00127.48 C

ATOM 634 CD LYS A 116 -41.821 18.212 -11.726 1.00126.33 C

ATOM 635 CE LYS A 116 -42.436 18.284 -13.128 1.00125.49 C

ATOM 636 NZ LYS A 116 -42.002 19.448 -13.928 1.00125.03 N

ATOM 637 C LYS A 116 -45.183 21.874 -11.228 1.00128.81 C

ATOM 638 or LYS A 116 -46.309 21.416 -11.496 1.00128.77 O

ATOM 639 N GLY A 117 -44.996 23.018 -10.557 1.00129.38 N

ATOM 640 CA GLY A 117 -46.079 23.760 -9.891 1.00129.81 C

ATOM 641 C GLY A 117 -46.236 23.321 -8.441 1.00130.13 C

ATOM 642 or GLY A 117 -47.170 23.756 -7.747 1.00130.04 O

ATOM 643 N VAL A 118 -45.294 22.473 -7.998 1.00130.31 N

ATOM 644 CA VAL A 118 -45.353 21.743 -6.716 1.00130.41 C

ATOM 645 CB VAL A 118 -45.124 20.186 -6.915 1.00130.54 C

ATOM 646 CGI VAL A 118 -46.009 19.620 -8.036 1.00130.44 C

ATOM 647 CG2 VAL A 118 -43.672 19.859 -7.209 1.00130.39 C

ATOM 648 C VAL A 118 -44.410 22.305 -5.623 1.00130.41 C

ATOM 649 or VAL A 118 -44.594 22.017 -4.434 1.00130.28 O

ATOM 650 N LYS A 119 -43.412 23.091 -6.046 1.00130.31 N

ATOM 651 CA LYS A 119 -42.483 23.831 -5.165 1.00130.16 C

ATOM 652 CB LYS A 119 -43.228 24.553 -4.030 1.00130.23 C

ATOM 653 CG LYS A 119 -42.940 26.047 -3.935 1.00129.83 C

ATOM 654 CD LYS A 119 -43.994 26.742 -3.085 1.00128.73 C

ATOM 655 CE LYS A 119 -44.221 28.174 -3.533 1.00128.20 C ATOM 656 NZ LYS A 119 -43.016 29.018 -3.334 1.00128.20 N

ATOM 657 C LYS A 119 -41.357 22.971 -4.597 1.00130.04 C

ATOM 658 or LYS A 119 -40.187 23.354 -4.655 1.00129.80 o

ATOM 659 N ASP A 142 -28.573 17.424 -1.006 1.00102.31 N

ATOM 660 CA ASP A 142 -28.735 18.734 -0.411 1.00102.39 C TOM 661 CB ASP A 142 -28.582 19.866 -1.469 1.00102.16 C

ATOM 662 CG ASP A 142 -29.924 20.379 -2.039 1.00101.58 C

ATOM 663 ODl ASP A 142 -30.633 19.643 -2.747 1.00101.18 o

ATOM 664 OD2 ASP A 142 -30.257 21.556 -1.816 1.00101.27 o

ATOM 665 C ASP A 142 -30.030 18.863 0.413 1.00102.79 C

ATOM 666 or ASP A 142 -30.093 19.736 1.293 1.00103.04 o

ATOM 667 N LEU A 143 -3i:021 17.978 0.172 1.00102.68 N

ATOM 668 CA LEU A 143 -32.423 18.185 0.642 1.00102.35 C

ATOM 669 CB LEU A 143 -33.447 17.866 -0.477 1.00102.46 C

ATOM 670 CG LEU A 143 -34.616 18.816 -0.862 1.00102.45 C

ATOM 671 CD1 LEU A 143 -35.810 18.017 -1.363 1.00102.06 C

ATOM 672 CD2 LEU A 143 -35.072 19.809 0.232 1.00101.53 C

ATOM 673 C LEU A 143 -32.863 17.443 1.911 1.00102.16 c

ATOM 674 or LEU A 143 -34.012 17.609 2.352 1.00102.43 o

ATOM 675 N GLY A 144 -31.981 16.631 2.504 1.00101.70 N

ATOM 676 CA GLY A 144 -32.411 15.687 3.575 1.00100.53 C

ATOM 677 C GLY A 144 -32.989 14.385 2.982 1.00 99.27 C

ATOM 678 or GLY A 144 -33.733 14.437 1.968 1.00 99.37 o

ATOM 679 N PRO A 145 -32.638 13.210 3.579 1.00 97.83 N

ATOM 680 CA PRO A 145 -32.990 11.960 2.897 1.00 96.44 C

ATOM 681 CB PRO A 145 -32.213 10.875 3.696 1.00 96.64 C

ATOM 682 CG PRO A 145 -31.214 11.612 4.571 1.00 96.95 C

ATOM 683 CD PRO A 145 -31.923 12.945 4.849 1.00 98.16 C

ATOM 684 C PRO A 145 -34.498 11.738 2.960 1.00 94.88 C

ATOM 685 or PRO A 145 -35.011 11.321 4.006 1.00 95.54 o

ATOM 686 N VAL A 146 -35.227 12.056 1.890 1.00 92.69 N

ATOM 687 CA VAL A 146 -36.680 11.904 1.981 1.00 89.88 C

ATOM 688 CB VAL A 146 -37.564 13.051 1.329 1.00 89.70 C

ATOM 689 CGI VAL A 146 -38.523 13.642 2.355 1.00 88.32 C

ATOM 690 CG2 VAL A 146 -36.740 14.161 0.686 1.00 88.72 C

ATOM 691 C VAL A 146 -37.104 10.513 1.571 1.00 89.08 C

ATOM 692 or VAL A 146 -36.295 9.637 1.192 1.00 88.48 o

ATOM 693 N TYR A 147 -38.398 10.300 1.724 1.00 88.54 N

ATOM 694 CA TYR A 147 -39.045 9.027 1.463 1.00 86.80 C

ATOM 695 CB TYR A 147 -40.586 9.231 1.460 1.00 86.61 C

ATOM 696 CG TYR A 147 -41.057 10.211 2.551 1.00 87.34 c ATOM 697 CD1 TYR A 147 -41.959 11.248 2.274 1.00 87.38 C

ATOM 698 CE1 TYR A 147 -42.361 12.168 3.285 1.00 87.05 C

ATOM 699 CZ TYR A 147 -41.860 12.055 4.592 1.00 87.33 C

ATOM 700 OH TYR A 147 -42.231 12.934 5.616 1.00 85.75 o

ATOM 701 CE2 TYR A 147 -40.968 11.028 4.879 1.00 88.40 C

ATOM 702 CD2 TYR A 147 -40.557 10.126 3.859 1.00 87.90 C

ATOM 703 C TYR A 147 -38.508 8.452 0.149 1.00 85.12 C

ATOM 704 or TYR A 147 -39.092 7.516 -0.412 1.00 86.08 o

ATOM 705 N GLY A 148 -37.382 9.001 -0.328 1.00 82.71 N

ATOM 706 CA GLY A 148 -36.852 8.602 -1.641 1.00 80.03 C

ATOM 707 C GLY A 148 -35.477 8.007 -1.415 1.00 77.88 C

ATOM 708 or GLY A 148 -35.174 6.905 -1.898 1.00 77.68 o

ATOM 709 N PHE A 149 -34.644 8.745 -0.671 1.00 74.60 N

ATOM 710 CA PHE A 149 -33.330 8.251 -0.344 1.00 71.67 C

ATOM 711 CB PHE A 149 -32.396 9.295 0.327 1.00 72.00 C

ATOM 712 CG PHE A 149 -30.986 8.738 0.664 1.00 73.06 C

ATOM 713 CD1 PHE A 149 -30.740 8.087 1.891 1.00 71.05 C

ATOM 714 CE1 PHE A 149 -29.496 7.549 2.196 1.00 70.33 C

ATOM 715 CZ PHE A 149 -28.456 7.650 1.268 1.00 71.84 c

ATOM 716 CE2 PHE A 149 -28.667 8.292 0.033 1.00 72.75 c

ATOM 717 CD2 PHE A 149 -29.933 8.829 -0.267 1.00 73.42 c

ATOM 718 C PHE A 149 -33.478 7.002 0.509 1.00 68.96 c

ATOM 719 or PHE A 149 -32.668 6.065 0.340 1.00 68.15 o

ATOM 720 N GLN A 150 -34.485 6.967 1.406 1.00 65.06 N

ATOM 721 CA GLN A 150 -34.584 5.802 2.307 1.00 61.34 C

ATOM 722 CB GLN A 150 -35.047 6.132 3.729 1.00 61.77 C

ATOM 723 CG GLN A 150 -34.734 7.550 4.260 1.00 64.44 C

ATOM 724 CD GLN A 150 -36.028 8.353 4.683 1.00 66.88 C

ATOM 725 OEl GLN A 150 -37.198 8.106 4.202 1.00 60.71 o

ATOM 726 NE2 GLN A 150 -35.809 9.327 5.599 1.00 68.66 N

ATOM 727 C GLN A 150 -35.353 4.617 1.699 1.00 57.84 C

ATOM 728 or GLN A 150 -35.153 3.511 2.135 1.00 57.49 o

ATOM 729 N TRP A 151 -36.202 4.854 0.704 1.00 54.32 N

ATOM 730 CA TRP A 151 -36.892 3.805 -0.056 1.00 52.75 C

ATOM 731 CB TRP A 151 -37.979 4.406 -0.947 1.00 49.22 C

ATOM 732 CG TRP A 151 -39.343 4.651 -0.358 1.00 47.51 C

ATOM 733 CD1 TRP A 151 -39.735 4.569 0.993 1.00 42.81 C

ATOM 734 NE1 TRP A 151 -41.082 4.859 1.088 1.00 41.35 N

ATOM 735 CE2 TRP A 151 -41.568 5.190 -0.168 1.00 44.10 C

ATOM 736 CD2 TRP A 151 -40.501 5.069 -1.092 1.00 39.39 C TOM 737 CE3 TRP A 151 -40.742 5.335 -2.438 1.00 42.12 c ATOM 738 CZ3 TRP A 151 -42.022 5.712 -2.837 1.00 44.75 C

ATOM 739 CH2 TRP A 151 -43.085 5. 866 -1.879 1 .00 45.90 C

ATOM 740 CZ2 TRP A 151 -42.864 5. 639 -0.558 1 .00 43.76 C

ATOM 741 C TRP A 151 -35.934 3. 017 -1.036 1 .00 54.11 C

ATOM 742 or TRP A 151 -36.245 1 .889 -1.448 1.00 52.95 o

ATOM 743 N ARG A 152 -34.850 3. 679 -1.474 1 .00 55.57 N

ATOM 744 CA ARG A 152 -33.920 3. 177 -2.492 1 .00 56.13 C

ATOM 745 CB ARG A 152 -33.844 4. 060 -3.726 1 .00 54.02 C

ATOM 746 CG ARG A 152 -35.160 4. 527 -4.289 1 .00 52.72 C

ATOM 747 CD ARG A 152 -36.210 3. 412 -4.707 1 .00 50.99 C

ATOM 748 NE ARG A 152 -35.668 2. 293 -5.492 1 .00 50.26 N

ATOM 749 CZ ARG A 152 -35.844 2. 044 -6.786 1 .00 49.38 C

ATOM 750 NHl ARG A 152 -36.576 2. 817 -7.573 1 .00 50.14 N

ATOM 751 NH2 ARG A 152 -35.269 0. 975 -7.317 1 .00 53.44 N

ATOM 752 C ARG A 152 -32.540 2. 985 -1.924 1 .00 58.46 C

ATOM 753 or ARG A 152 -31.829 2 .083 -2.391 1.0C 59.80 o

ATOM 754 N HIS A 153 -32.128 3. 769 -0.926 1 .00 61.08 N

ATOM 755 CA HIS A 153 -30.714 3. 657 -0.446 1 .00 64.64 C

ATOM 756 CB HIS A 153 -29.708 4. 666 -1.167 1 .00 64.06 C

ATOM 757 CG HIS A 153 -29.911 4. 836 -2.661 1 .00 63.28 C

ATOM 758 ND1 HIS A 153 -29.557 3. 875 -3.594 1 .00 63.30 N

ATOM 759 CE1 HIS A 153 -29.866 4. 286 -4.816 1 .00 63.98 C

ATOM 760 NE2 HIS A 153 -30.391 5. 496 -4.719 1 .00 68.37 N

ATOM 761 CD2 HIS A 153 -30.417 5. 871 -3.383 1 .00 66.42 C

ATOM 762 C HIS A 153 -30.591 3. 679 1.111 1 .00 67.82 c

ATOM 763 or HIS A 153 -29.762 4 .400 1.689 1.00 67.37 o

ATOM 764 N PHE A 154 -31.413 2. 867 1.787 1 .00 72.19 N

ATOM 765 CA PHE A 154 -31.475 2. 916 3.244 1 .00 75.84 c

ATOM 766 CB PHE A 154 -32.615 2. 094 3.850 1 .00 76.44 C

ATOM 767 CG PHE A 154 -32.666 2. 261 5.324 1 .00 78.51 C

ATOM 768 CD1 PHE A 154 -33.249 3. 387 5.879 1 .00 80.41 C

ATOM 769 CE1 PHE A 154 -33.226 3. 616 7.268 1 .00 81.60 C

ATOM 770 CZ PHE A 154 -32.577 2. 738 8.114 1 .00 81.92 c

ATOM 771 CE2 PHE A 154 -31.931 1. 626 7.574 1 .00 84.54 c

ATOM 772 CD2 PHE A 154 -31.966 1. 401 6.164 1 .00 83.41 c

ATOM 773 C PHE A 154 -30.187 2. 589 4.005 1 .00 78.47 c

ATOM 774 or PHE A 154 -29.700 1 .464 3.971 1.00 78.98 o

ATOM 775 N GLY A 155 -29.672 3. 567 4.741 1 .00 81.94 N

ATOM 776 CA GLY A 155 -28.530 3. 353 5.651 1 .00 85.97 C

ATOM 777 C GLY A 155 -27.150 3. 561 5.021 1 .00 88.92 C

ATOM 778 or GLY A 155 -26.115 3 .358 5.697 1.00 88.98 o ATOM 779 N ALA A 156 -27.149 3.977 3.740 1.00 91.56 N

ATOM 780 CA ALA A 156 -25.939 4.205 2.942 1.00 94.14 C

ATOM 781 CB ALA A 156 -26.288 4.288 1.453 1.00 93.52 C

ATOM 782 C ALA A 156 -25.186 5.463 3.382 1.00 96.42 C

ATOM 783 or ALA A 156 -25.378 5.976 4.490 1.00 96.82 o

ATOM 784 N GLU A 157 -24.322 5.951 2.502 1.00 99.15 N

ATOM 785 CA GLU A 157 -23.549 7.145 2.766 1.00101.62 C

ATOM 786 CB GLU A 157 -22.195 7.007 2.083 1.00102.06 C

ATOM 787 CG GLU A 157 -21.308 5.966 2.746 1.00103.92 C

ATOM 788 CD GLU A 157 -21.038 6.308 4.203 1.00105.47 c TOM 789 OEl GLU A 157 -21.632 5.650 5.088 1.00106.05 o

ATOM 790 OE2 GLU A 157 -20.258 7.259 4.450 1.00105.26 o

ATOM 791 C GLU A 157 -24.278 8.371 2.245 1.00102.98 c

ATOM 792 or GLU A 157 -24.161 8.690 1.049 1.00102.78 o

ATOM 793 N TYR A 158 -25.033 9.051 3.129 1.00104.99 N

ATOM 794 CA TYR A 158 -25.813 10.254 2.716 1.00106.37 C

ATOM 795 CB TYR A 158 -26.985 10.613 3.713 1.00106.19 C

ATOM 796 CG TYR A 158 -27.871 11.786 3.247 1.00105.90 C

ATOM 797 CD1 TYR A 158 -28.530 11.743 2.010 1.00106.67 C

ATOM 798 CE1 TYR A 158 -29.296 12.828 1.550 1.00106.58 C

ATOM 799 CZ TYR A 158 -29.423 13.972 2.328 1.00105.65 C

ATOM 800 OH TYR A 158 -30.171 15.016 1.844 1.00104.27 o

ATOM 801 CE2 TYR A 158 -28.785 14.051 3.562 1.00105.41 c

ATOM 802 CD2 TYR A 158 -28.012 12.952 4.020 1.00106.23 c TOM 803 C TYR A 158 -24.814 11.411 2.423 1.00107.38 c

ATOM 804 or TYR A 158 -24.779 12.444 3.139 1.00107.84 o

ATOM 805 N ARG A 159 -24.013 11.197 1.357 1.00108.48 N

ATOM 806 CA ARG A 159 -22.753 11.935 1.070 1.00109.21 C

ATOM 807 CB ARG A 159 -21.717 11.002 0.426 1.00109.22 C

ATOM 808 CG ARG A 159 -20.678 10.370 1.369 1.00109.47 c

ATOM 809 CD ARG A 159 -19.545 9.695 0.575 1.00109.01 c

ATOM 810 NE ARG A 159 -20.038 9.040 -0.648 1.00108.98 N

ATOM 811 CZ ARG A 159 -20.034 9.588 -1.870 1.00107.63 C

ATOM 812 NHl ARG A 159 -19.553 10.813 -2.060 1.00107.42 N

ATOM 813 NH2 ARG A 159 -20.514 8.913 -2.910 1.00105.42 N

ATOM 814 C ARG A 159 -22.833 13.247 0.242 1.00109.70 C

ATOM 815 or ARG A 159 -22.526 14.321 0.782 1.00109.63 o

ATOM 816 N ASP A 160 -23.195 13.164 -1.050 1.00110.00 N

ATOM 817 CA ASP A 160 -23.275 14.382 -1.897 1.00110.43 C TOM 818 CB ASP A 160 -22.411 14.277 -3.188 1.00110.34 C

ATOM 819 CG ASP A 160 -22.522 15.592 -4.045 1.00109.92 c ATOM 820 ODl ASP A 160 -22.197 16.689 -3.528 1.00108.24 o

ATOM 821 OD2 ASP A 160 -22.954 15.541 -5.227 1.00108.88 o

ATOM 822 C ASP A 160 -24.666 14.959 -2.300 1.00110.76 C

ATOM 823 or ASP A 160 -24.866 16.225 -2.225 1.00111.14 o

ATOM 824 N MET A 161 -25.595 14.070 -2.742 1.00110.82 N

ATOM 825 CA MET A 161 -26.832 14.466 -3.491 1.00110.61 C

ATOM 826 CB MET A 161 -27.467 15.822 -3.038 1.00110.77 C

ATOM 827 CG MET A 161 -26.948 17.152 -3.713 1.00110.97 C

ATOM 828 SD MET A 161 -28.053 18.123 -4.791 1.00109.92 S

ATOM 829 CE MET A 161 -26.864 18.999 -5.826 1.00111.40 C

ATOM 830 C MET A 161 -26.633 14.390 -5.021 1.00110.70 C

ATOM 831 or MET A 161 -27.518 14.786 -5.789 1.00110.88 o

ATOM 832 N GLU A 162 -25.473 13.880 -5.451 1.00110.63 N

ATOM 833 CA GLU A 162 -25.180 13.678 -6.882 1.00110.24 C

ATOM 834 CB GLU A 162 -24.720 15.018 -7.526 1.00110.25 c

ATOM 835 CG GLU A 162 -24.199 14.970 -8.980 1.00111.16 c

ATOM 836 CD GLU A 162 -22.667 14.704 -9.083 1.00112.57 c

ATOM 837 OEl GLU A 162 -22.145 14.607 - -10.226 1.00111.67 o

ATOM 838 OE2 GLU A 162 -21.991 14.586 -8.024 1.00111.90 o

ATOM 839 C GLU A 162 -24.211 12.470 -7.112 1.00109.72 c

ATOM 840 or GLU A 162 -23.650 12.299 -8.204 1.00109.81 o

ATOM 841 N SER A 163 -24.072 11.605 -6.094 1.00108.85 N

ATOM 842 CA SER A 163 -23.067 10.512 -6.104 1.00107.97 c

ATOM 843 CB SER A 163 -22.835 10.015 -4.667 1.00107.91 c

ATOM 844 OG SER A 163 -22.232 11.023 -3.872 1.00108.04 o

ATOM 845 C SER A 163 -23.248 9.296 -7.081 1.00107.30 c

ATOM 846 or SER A 163 -23.816 9.419 -8.186 1.00107.32 o

ATOM 847 N ASP A 164 -22.718 8.141 -6.646 1.00106.13 N

ATOM 848 CA ASP A 164 -22.685 6.866 -7.385 1.00104.54 c

ATOM 849 CB ASP A 164 -21.244 6.294 -7.343 1.00104.80 c

ATOM 850 CG ASP A 164 -20.347 6.787 -8.471 1.00105.05 C

ATOM 851 ODl ASP A 164 -20.708 6.556 -9.647 1.00105.22 o

ATOM 852 OD2 ASP A 164 -19.255 7.353 -8.174 1.00103.83 o

ATOM 853 C ASP A 164 -23.556 5.825 -6.654 1.00103.23 c

ATOM 854 or ASP A 164 -23.157 4.645 -6.569 1.00103.82 o

ATOM 855 N TYR A 165 -24.715 6.223 -6.113 1.00100.94 N

ATOM 856 CA TYR A 165 -25.380 5.414 -5.049 1.00 98.03 c

ATOM 857 CB TYR A 165 -26.561 6.172 -4.387 1.00 98.30 c

ATOM 858 CG TYR A 165 -26.196 7.445 -3.645 1.00 97.73 c

ATOM 859 CD1 TYR A 165 -26.668 8.689 -4.087 1.00 98.41 C

ATOM 860 CE1 TYR A 165 -26.334 9.886 -3.407 1.00 98.28 C ATOM 861 CZ TYR A 165 -25.520 9.835 -2.274 1.00 97.70 C

ATOM 862 OH TYR A 165 -25.200 11.006 -1.615 1.00 96.90 O

ATOM 863 CE2 TYR A 165 -25.044 8.605 -1.813 1.00 97.48 C

ATOM 864 CD2 TYR A 165 -25.387 7.416 -2.499 1.00 97.49 C

ATOM 865 C TYR A 165 -25.766 3.938 -5.356 1.00 97.31 C

ATOM 866 or TYR A 165 -26.087 3.210 -4.415 1.00 96.96 O

ATOM 867 N SER A 166 -25.704 3.504 -6.634 1.00 95.68 N

ATOM 868 CA SER A 166 -26.032 2.106 -7.090 1.00 94.31 C

ATOM 869 CB SER A 166 -25.541 1.865 -8.534 1.00 94.09 C

ATOM 870 OG SER A 166 -26.186 2.720 -9.464 1.00 94.24 O

ATOM 871 C SER A 166 -25.519 0.954 -6.193 1.00 91.74 C

ATOM 872 or SER A 166 -24.317 0.869 -5.939 1.00 91.64 O

ATOM 873 N GLY A 167 -26.426 0.074 -5.735 1.00 89.08 N

ATOM 874 CA GLY A 167 -26.082 -1.053 -4.839 1.00 85.21 C

ATOM 875 C GLY A 167 -25.494 -0.711 -3.457 1.00 82.68 C

ATOM 876 or GLY A 167 -24.757 -1.531 -2.871 1.00 82.75 O

ATOM 877 N GLN A 168 -25.801 0.493 -2.943 1.00 79.71 N

ATOM 878 CA GLN A 168 -25.407 0.955 -1.572 1.00 76.62 C

ATOM 879 CB GLN A 168 -24.593 2.253 -1.592 1.00 77.38 C

ATOM 880 CG GLN A 168 -23.422 2.339 -2.524 1.00 77.73 C

ATOM 881 CD GLN A 168 -22.891 3.733 -2.517 1.00 80.13 C

ATOM 882 OE1 GLN A 168 -22.698 4.332 -1.444 1.00 80.00 O

ATOM 883 NE2 GLN A 168 -22.664 4.287 -3.711 1.00 81.68 N

ATOM 884 C GLN A 168 -26.613 1.243 -0.682 1.00 73.54 C

ATOM 885 or GLN A 168 -27.540 1.936 -1.099 1.00 72.85 O

ATOM 886 N GLY A 169 -26.538 0.770 0.563 1.00 70.29 N

ATOM 887 CA GLY A 169 -27.714 0.590 1.440 1.00 65.84 C

ATOM 888 C GLY A 169 -28.755 -0.408 0.911 1.00 61.80 C

ATOM 889 or GLY A 169 -28.622 -0.951 -0.199 1.00 61.02 O

ATOM 890 N VAL A 170 -29.811 -0.616 1.701 1.00 58.19 N

ATOM 891 CA VAL A 170 -30.957 -1.432 1.296 1.00 53.76 C

ATOM 892 CB VAL A 170 -31.724 -1.999 2.561 1.00 54.99 C

ATOM 893 CGI VAL A 170 -32.868 -2.958 2.148 1.00 51.08 C

ATOM 894 CG2 VAL A 170 -30.728 -2.654 3.588 1.00 54.31 C

ATOM 895 C VAL A 170 -31.948 -0.715 0.347 1.00 51.41 c

ATOM 896 or VAL A 170 -32.527 0.365 0.648 1.00 50.64 O

ATOM 897 N ASP A 171 -32.176 -1.346 -0.794 1.00 47.68 N

ATOM 898 CA ASP A 171 -33.291 -0.953 -1.642 1.00 44.79 C

ATOM 899 CB ASP A 171 -32.930 -1.139 -3.107 1.00 43.98 C

ATOM 900 CG ASP A 171 -33.912 -0.490 -4.028 1.00 45.02 C

ATOM 901 OD1 ASP A 171 -35.064 -0.220 -3.620 1.00 47.91 O ATOM 902 OD2 ASP A 171 -33 578 -0.298 -5.200 1.00 45 70 O

ATOM 903 C ASP A 171 -34 671 -1.579 -1.229 1.00 41 41 C

ATOM 904 or ASP A 171 -35.136 -2.539 -1.822 1.00 40.47 O

ATOM 905 N GLN A 172 -35 295 -1.008 -0.188 1.00 38 74 N

ATOM 906 CA GLN A 172 -36 628 -1.386 0.277 1.00 35 69 C

ATOM 907 CB GLN A 172 -37 217 -0.359 1.206 1.00 35. 47 C

ATOM 908 CG GLN A 172 -36 430 -0.076 2.402 1.00 33. 35 C

ATOM 909 CD GLN A 172 -37 250 0.821 3.341 1.00 36. 82 C

ATOM 910 OE1 GLN A 172 -37. 972 0.330 4.155 1.00 34. 47 O

ATOM 911 NE2 GLN A 172 -37. 098 2.139 3.230 1.00 37. 06 N

ATOM 912 C GLN A 172 -37. 635 -1.556 -0.794 1.00 35. 54 C

ATOM 913 or GLN A 172 -38.402 -2.508 -0.780 1.00 3^" .13 O

ATOM 914 N LEU A 173 -37. 663 -0.657 -1.741 1.00 33. 48 N

ATOM 915 CA LEU A 173 -38. 645 -0.763 -2.763 1.00 33. 90 C

ATOM 916 CB LEU A 173 -38. 757 0.607 -3.515 1.00 30. 25 C

ATOM 917 CG LEU A 173 -39. 632 0.660 -4.743 1.00 30. 65 C

ATOM 918 CD1 LEU A 173 -41. 199 0.359 -4.547 1.00 29. 27 C

ATOM 919 CD2 LEU A 173 -39. 415 2.024 -5.402 1.00 35. 30 C

ATOM 920 C LEU A 173 -38. 447 -1.949 -3.719 1.00 35. 29 C

ATOM 921 or LEU A 173 -39.412 -2.669 -4.071 1.00 35 .39 O

ATOM 922 N GLN A 174 -37. 214 -2.094 -4.250 1.00 37. 66 N

ATOM 923 CA GLN A 174 -36. 874 -3.212 -5.166 1.00 38. 32 C

ATOM 924 CB GLN A 174 -35. 446 -2.987 -5.747 1.00 39. 59 C

ATOM 925 CG GLN A 174 -35. 086 -3.589 -7.174 1.00 40. 28 C

ATOM 926 CD GLN A 174 -36. 240 -4.069 -8.020 1.00 45. 29 C

ATOM 927 OE1 GLN A 174 -36. 843 -3.313 -8.807 1.00 54. 33 O

ATOM 928 NE2 GLN A 174 -36. 510 -5.345 -7.942 1.00 43. 89 N

ATOM 929 C GLN A 174 -37. 033 -4.546 -4.342 1.00 36. 91 C

ATOM 930 or GLN A 174 -37 .595 -5.533 -4.798 1.00 38 .16 O

ATOM 931 N ARG A 175 -36. 615 -4.535 -3.091 1.00 35. 07 N

ATOM 932 CA ARG A 175 -36. 892 -5.666 -2.218 1.00 35. 05 C

ATOM 933 CB ARG A 175 -36. 273 -5.364 -0.885 1.00 34. 30 C

ATOM 934 CG ARG A 175 -36. 566 -6.323 0.118 1.00 37. 37 C

ATOM 935 CD ARG A 175 -35. 530 -6.352 1.200 1.00 43. 49 C

ATOM 936 NE ARG A 175 -35. 943 -5.580 2.358 1.00 48. 47 N

ATOM 937 CZ ARG A 175 -35. 172 -5.340 3.420 1.00 50. 69 C

ATOM 938 NHl ARG A 175 -33. 936 -5.833 3.504 1.00 46. 03 N

ATOM 939 NH2 ARG A 175 -35. 651 -4.606 4.411 1.00 51. 45 N

ATOM 940 C ARG A 175 -38. 395 -6.079 -2.073 1.00 37. 08 C

ATOM 941 or ARG P 175 -38 .737 -7.318 -2.006 1.00 37 .94 O

ATOM 942 N VAL A 176 -39. 319 -5.091 -2.043 1.00 33. 35 N ATOM 943 CA VAL A 176 -40.731 -5.406 -2.041 1.00 29.86 C

ATOM 944 CB VAL A 176 -41.569 -4.036 -1.736 1.00 30.79 C

ATOM 945 CGI VAL A 176 -42.990 -4.088 -2.247 1.00 26.60 C

ATOM 946 CG2 VAL A 176 -41.428 -3.696 -0.280 1.00 22.89 C

ATOM 947 C VAL A 176 -41.172 -6.014 -3.365 1.00 30.87 C

ATOM 948 or VAL A 176 -41.920 -6.962 -3.450 1.00 30.65 O

ATOM 949 N ILE A 177 -40.804 -5.390 -4.438 1.00 32.35 N

ATOM 950 CA ILE A 177 -41.141 -5.952 -5.720 1.00 35.01 C

ATOM 951 CB ILE A 177 -40.624 -5.006 -6.852 1.00 34.44 C

ATOM 952 CGI ILE A 177 -41.258 -3.603 -6.710 1.00 33.26 C

ATOM 953 CD1 ILE A 177 -40.588 -2.469 -7.539 1.00 32.87 C

ATOM 954 CG2 ILE A 177 -40.789 -5.658 -8.311 1.00 33.30 C

ATOM 955 C ILE A 177 -40.615 -7.470 -5.875 1.00 37.14 C

ATOM 956 or ILE A 177 -41.373 -8.328 -6.283 1.00 38.73 O

ATOM 957 N ASP A 178 -39.347 -7.736 -5.535 1.00 37.93 N

ATOM 958 CA ASP A 178 -38.727 -9.086 -5.603 1.00 37.69 C

ATOM 959 CB ASP A 178 -37.266 -8.997 -5.164 1.00 36.55 C

ATOM 960 CG ASP A 178 -36.449 -8.234 -6.144 1.00 37.54 C

ATOM 961 OD1 ASP A 178 -36.976 -8.011 -7.273 1.00 37.33 O

ATOM 962 OD2 ASP A 178 -35.314 -7.859 -5.790 1.00 37.98 O

ATOM 963 C ASP A 178 -39.412 -10.075 -4.702 1.00 37.91 C

ATOM 964 or ASP A 178 -39.720 -11.167 -5.155 1.00 39.50 O

ATOM 965 N THR A 179 -39.669 -9.717 -3.437 1.00 37.49 N

ATOM 966 CA THR A 179 -40.441 -10.592 -2.566 1.00 35.72 C

ATOM 967 CB THR A 179 -40.523 -10.051 -1.193 1.00 35.30 C

ATOM 968 OG1 THR A 179 -39.196 -9.766 -0.772 1.00 35.18 O

ATOM 969 CG2 THR A 179 -41.110 -11.026 -0.226 1.00 32.84 C

ATOM 970 C THR A 179 -41.795 -10.911 -3.124 1.00 37.10 C

ATOM 971 or THR A 179 -42.253 -12.003 -2.994 1.00 39.16 O

ATOM 972 N ILE A 180 -42.453 -9.983 -3.771 1.00 37.17 N

ATOM 973 CA ILE A 180 -43.751 -10.303 -4.321 1.00 38.14 C

ATOM 974 CB ILE A 180 -44.432 -9.000 -4.923 1.00 37.28 C

ATOM 975 CGI ILE A 180 -45.023 -8.130 -3.797 1.00 37.57 C

ATOM 976 CD1 ILE A 180 -45.330 -6.659 -4.311 1.00 37.95 C

ATOM 977 CG2 ILE A 180 -45.482 -9.372 -5.954 1.00 33.78 C

ATOM 978 C ILE A 180 -43.624 -11.334 -5.439 1.00 39.05 C

ATOM 979 or ILE A 180 -44.504 -12.148 -5.670 1.00 37.29 O

ATOM 980 N LYS A 181 -42.592 -11.144 -6.241 1.00 41.39 N

ATOM 981 CA LYS A 181 -42.270 -12.051 -7.304 1.00 45.24 C

ATOM 982 CB LYS A 181 -41.216 -11.426 -8.206 1.00 46.26 C

ATOM 983 CG LYS A 181 -41.702 -10.418 -9.305 1.00 49.10 C ATOM 984 CD LYS A 181 -40.456 -9.821 -9.986 1.00 48.74 C

ATOM 985 CE LYS A 181 -40.764 -8.581 -10.776 1.00 53.61 C

ATOM 986 NZ LYS A 181 -40.896 -8.802 -12.248 1.00 56.86 N

ATOM 987 C LYS A 181 -41.816 -13.448 -6.745 1.00 45.16 C

ATOM 988 or LYS A 181 -42.332 -14.457 -7.172 1.00 46.83 0

ATOM 989 N THR A 182 -40.990 -13.487 -5.705 1.00 44.50 N TOM 990 CA THR A 182 -40.411 -14.734 -5.240 1.00 42.40 C

ATOM 991 CB THR A 182 -38.962 -14.538 -4.763 1.00 42.89 C

ATOM 992 OGl THR A 182 -38.866 -13.721 -3.577 1.00 38.96 o

ATOM 993 CG2 THR A 182 -38.035 -14.049 -5.910 1.00 42.28 c

ATOM 994 C THR A 182 -41.214 -15.478 -4.173 1.00 42.47 c

ATOM 995 or THR A 182 -41.076 -16.694 -4.053 1.00 42.89 o TOM 996 N ASN A 183 -41.998 -14.752 -3.358 1.00 39.81 N

ATOM 997 CA ASN A 183 -42.847 -15.340 -2.366 1.00 36.68 C

ATOM 998 CB ASN A 183 -42.027 -15.731 -1.142 1.00 35.39 C

ATOM 999 CG ASN A 183 -42.848 -16.547 -0.144 1.00 33.11 C

ATOM 1000 ODl ASN A 183 -43.858 -17.111 -0.511 1.00 39.48 o

ATOM 1001 ND2 ASN A 183 -42.478 -16.534 1.101 1.00 29.00 N

ATOM 1002 C ASN A 183 -44.076 -14.478 -1.937 1.00 37.09 C

ATOM 1003 or ASN A 183 -44.109 -13.930 -0.810 1.00 37.28 o

ATOM 1004 N PRO A 184 -45.151 -14.474 -2.760 1.00 38.21 N

ATOM 1005 CA PRO A 184 -46.423 -13.693 -2.508 1.00 37.14 C

ATOM 1006 CB PRO A 184 -47.334 -14.111 -3.660 1.00 38.66 C

ATOM 1007 CG PRO A 184 -46.702 -15.525 -4.207 1.00 35.63 C

ATOM 1008 CD PRO A 184 -45.195 -15.199 -4.068 1.00 37.48 C

ATOM 1009 C PRO A 184 -47.147 -13.844 -1.202 1.00 37.68 C

ATOM 1010 or PRO A 184 -47.949 -12.941 -0.794 1.00 37.84 o

ATOM 1011 N ASP A 185 -46.895 -14.945 -0.512 1.00 36.69 N

ATOM 1012 CA ASP A 185 -47.567 -15.212 0.733 1.00 34.21 C

ATOM 1013 CB ASP A 185 -47.497 -16.716 1.054 1.00 37.27 C

ATOM 1014 CG ASP A 185 -48.269 -17.620 0.011 1.00 45.43 C TOM 1015 ODl ASP A 185 -49.464 -17.353 -0.267 1.00 43.31 o TOM 1016 OD2 ASP A 185 -47.642 -18.610 -0.490 1.00 51.47 o

ATOM 1017 C ASP A 185 -46.805 -14.530 1.830 1.00 32.93 C

ATOM 1018 or ASP A 185 -47.216 -14.564 2.974 1.00 30.37 o

ATOM 1019 N ASP A 186 -45.596 -14.049 1.548 1.00 32.69 N

ATOM 1020 CA ASP A 186 -44.788 -13.431 2.612 1.00 33.14 C

ATOM 1021 CB ASP A 186 -43.496 -12.933 1.973 1.00 35.85 C

ATOM 1022 CG ASP A 186 -42.351 -12.878 2.948 1.00 36.29 C

ATOM 1023 ODl ASP A 186 -42.537 -12.464 4.059 1.00 38.73 o

ATOM 1024 OD2 ASP A 186 -41.230 -13.270 2.606 1.00 50.96 o ATOM 1025 C ASP A 186 -45.554 -12.307 3.459 1.00 32.58 C

ATOM 1026 or ASP A 186 -46.370 -11.541 2.925 1.00 32.62 O

ATOM 1027 N ARG A 187 -45. 412 -12.375 4.767 1.00 30. 43 N

ATOM 1028 CA ARG A 187 -46. 025 -11.532 5.698 1.00 31. 39 C

ATOM 1029 CB ARG A 187 -46. 486 -12.308 6.957 1.00 30. 06 C

ATOM 1030 CG ARG A 187 -47. 567 -13.423 6.647 1.00 31. 46 c

ATOM 1031 CD ARG A 187 -47. 524 -14.473 7.755 1.00 30. 18 c

ATOM 1032 NE ARG A 187 -48. 588 -15.425 7.672 1.00 28. 80 N

ATOM 1033 CZ ARG A 187 -48. 985 -16.185 8.687 1.00 27. 08 c

ATOM 1034 NHl ARG A 187 -50. 066 -16.965 8.543 1.00 32. 43 N

ATOM 1035 NH2 ARG A 187 -48. 356 -16.190 9.837 1.00 26. 13 N

ATOM 1036 C ARG A 187 -45. 060 -10.347 6.075 1.00 32. 08 c

ATOM 1037 or ARG A 187 -43 .389 -9.613 6.986 1.00 3C .41 O

ATOM 1038 N ARG A 188 -43. 913 -10.216 5.371 1.00 30. 88 N

ATOM 1039 CA ARG A 188 -42. 890 -9.235 5.676 1.00 32. 24 c

ATOM 1040 CB ARG A 188 -41. 571 -9.962 5.941 1.00 31. 94 C

ATOM 1041 CG ARG A 188 -41. 739 -10.959 7.139 1.00 36. 60 C

ATOM 1042 CD ARG A 188 -40. 557 -11.919 7.365 1.00 33. 28 C

ATOM 1043 NE ARG A 188 -40. 290 -12.634 6.132 1.00 38. 17 N

ATOM 1044 CZ ARG A 188 -39. 529 -13.731 6.018 1.00 35. 43 C

ATOM 1045 NHl ARG A 188 -38. 956 -14.272 7.076 1.00 34. 07 N

ATOM 1046 NH2 ARG A 188 -39. 385 -14.266 4.849 1.00 31. 35 N

ATOM 1047 C ARG A 188 -42. 690 -8.267 4.547 1.00 30. 95 C

ATOM 1048 or ARG A 188 -41 .634 -7.765 4.387 1.0C 29 .23 O

ATOM 1049 N ILE A 189 -43. 681 -8.075 3.704 1.00 31. 10 N

ATOM 1050 CA ILE A 189 -43. 454 -7.255 2.582 1.00 31. 45 C

ATOM 1051 CB ILE A 189 -44. 289 -7.685 1.388 1.00 32. 41 C

ATOM 1052 CGI ILE A 189 -44. 348 -9.246 1.210 1.00 31. 69 C

ATOM 1053 CD1 ILE A 189 -45. 096 -9.678 -0.091 1.00 29. 65 c

ATOM 1054 CG2 ILE A 189 -43. 849 -6.903 0.114 1.00 28. 03 c

ATOM 1055 C ILE A 189 -43. 687 -5.727 2.943 1.00 33. 47 c

ATOM 1056 or ILE A 189 -44 .626 -5.126 2.484 1.00 32 .11 O

ATOM 1057 N ILE A 190 -42. 713 -5.155 3.640 1.00 33. 60 N

ATOM 1058 CA ILE A 190 -42. 774 -3.955 4.472 1.00 35. 21 C

ATOM 1059 CB ILE A 190 -42. 663 -4.314 5.946 1.00 34. 35 C

ATOM 1060 CGI ILE A 190 -43. 918 -5.090 6.388 1.00 32. 17 C

ATOM 1061 CD1 ILE A 190 -43. 787 -5.757 7.627 1.00 29. 54 C

ATOM 1062 CG2 ILE A 190 -42. 487 -3.067 6.845 1.00 31. 09 c

ATOM 1063 C ILE A 190 -41. 707 -2.891 3.999 1.00 36. 93 c

ATOM 1064 or ILE A 190 -40 .559 -3.197 3.707 1.0C 37 .57 0

ATOM 1065 N MET A 191 -42. 142 -1.657 3.787 1.00 37. 10 N ATOM 1066 CA MET A 191 -41.234 -0.579 3.337 1 00 37.19 C

ATOM 1067 CB MET A 191 -41.454 -0.328 1.832 1 00 34.68 C

ATOM 1068 CG MET A 191 -40.660 0.773 1.341 1 00 40.52 C

ATOM 1069 SD MET A 191 -41.007 1.268 -0.290 1. 00 47.05 S

ATOM 1070 CE MET A 191 -42.474 0.273 -0.487 1. 00 36.53 C

ATOM 1071 C MET A 191 -41.561 0.620 4.266 1. 00 36.41 C

ATOM 1072 or MET A 191 -42.785 0.969 4.473 1.00 34.47 o

ATOM 1073 N CYS A 192 -40.511 1.182 4.891 1. 00 36.38 N

ATOM 1074 CA CYS A 192 -40.647 2.344 5.834 1. 00 38.06 C

ATOM 1075 CB CYS A 192 -40.059 2.123 7.177 1. 00 36.41 C

ATOM 1076 SG CYS A 192 -40.722 0.657 8.055 1. 00 42.50 S

ATOM 1077 C CYS A 192 -40.117 3.648 5.292 1. 00 38.62 c

ATOM 1078 or CYS A 192 -39.240 3.632 4.409 1 .00 39.33 o

ATOM 1079 N ALA A 193 -40.730 4.751 5.766 1. 00 39.17 N

ATOM 1080 CA ALA A 193 -40.353 6.178 5.447 1. 00 37.77 C

ATOM 1081 CB ALA A 193 -41.318 6.825 4.455 1. 00 37.96 C

ATOM 1082 C ALA A 193 -40.203 6.972 6.736 1. 00 37.78 C

ATOM 1083 or ALA A 193 -40.889 6.712 7.741 1 .oc 38.79 o

ATOM 1084 N TRP A 194 -39.162 7.808 6.776 1. 00 37.53 N

ATOM 1085 CA TRP A 194 -38.786 8.570 7.967 1. 00 37.44 C

ATOM 1086 CB TRP A 194 -37.343 8.368 8.377 1. 00 37.31 C

ATOM 1087 CG TRP A 194 -37.079 7.078 9.120 1. 00 34.96 C

ATOM 1088 CD1 TRP A 194 -36.956 6.924 10.447 1. 00 32.62 C

ATOM 1089 NE1 TRP A 194 -36.721 5.572 10.744 1. 00 33.87 N

ATOM 1090 CE2 TRP A 194 -36.736 4.851 9.577 1. 00 31.49 C

ATOM 1091 CD2 TRP A 194 -36.927 5.754 8.532 1. 00 32.44 C

ATOM 1092 CE3 TRP A 194 -36.959 5.270 7.221 1. 00 32.42 C

ATOM 1093 CZ3 TRP A 194 -36.773 3.919 7.005 1. 00 33.75 C

ATOM 1094 CH2 TRP A 194 -36.574 3.028 8.076 1. 00 31.78 C

ATOM 1095 CZ2 TRP A 194 -36.570 3.467 9.361 1. 00 35.04 C

ATOM 1096 C TRP A 194 -39.041 10.068 7.672 1. 00 38.59 c

ATOM 1097 or TRP A 194 -38.949 10.518 6.517 1 .00 37.16 o

ATOM 1098 N ASN A 195 -39.482 10.790 8.697 1. 00 39.59 N

ATOM 1099 CA ASN A 195 -39.377 12.249 8.656 1. 00 42.02 C

ATOM 1100 CB ASN A 195 -40.240 12.864 9.781 1. 00 42.33 C

ATOM 1101 CG ASN A 195 -40.400 14.412 9.672 1. 00 45.04 C

ATOM 1102 ODl ASN A 195 -39.505 15.101 9.196 1. 00 48.45 o

ATOM 1103 ND2 ASN A 195 -41.518 14.946 10.175 1. 00 42.89 N

ATOM 1104 C ASN A 195 -37.851 12.619 8.678 1. 00 42.29 C

ATOM 1105 or ASN A 195 -37.062 12.176 9.527 1 .00 42.05 o

ATOM 1106 N PRO A 196 -37.388 13.350 7.668 1. 00 44.15 N ATOM 1107 CA PRO A 196 -35.953 13.779 7.576 1.00 44.71 C

ATOM 1108 CB PRO A 196 -35.952 14.710 6.373 1.00 46.56 C

ATOM 1109 CG PRO A 196 -37.115 14.108 5.473 1.00 47.72 C

ATOM 1110 CD PRO A 196 -38.189 13.755 6.504 1.00 43.65 C

ATOM 1111 C PRO A 196 -35.438 14.500 8.814 1.00 45.65 C

ATOM 1112 or PRO A 196 -34.271 14.318 9.192 1.00 47.05 o

ATOM 1113 N ARG A 197 -36.289 15.244 9.511 1.00 46.16 N

ATOM 1114 CA ARG A 197 -35.865 15.865 10.771 1.00 47.46 C

ATOM 1115 CB ARG A 197 -36.857 16.911 11.276 1.00 47.96 C

ATOM 1116 CG ARG A 197 -38.300 16.518 11.192 1.00 50.68 C

ATOM 1117 CD ARG A 197 -39.265 17.464 11.976 1.00 51.35 C

ATOM 1118 NE ARG A 197 -38.607 18.361 12.933 1.00 55.05 N

ATOM 1119 CZ ARG A 197 -38.495 18.164 14.248 1.00 58.19 C

ATOM 1120 NH1 ARG A 197 -38.975 17.065 14.838 1.00 57.84 N

ATOM 1121 NH2 ARG A 197 -37.883 19.092 15.000 1.00 61.24 N

ATOM 1122 C ARG A 197 -35.538 14.952 11.902 1.00 47.50 C

ATOM 1123 or ARG A 197 -34.845 15.349 12.849 1.00 47.85 o

ATOM 1124 N ASP A 198 -36.075 13.731 11.875 1.00 47.84 N

ATOM 1125 CA ASP A 198 -35.743 12.762 12.911 1.00 46.54 C

ATOM 1126 CB ASP A 198 -36.821 11.658 12.951 1.00 46.33 C

ATOM 1127 CG ASP A 198 -38.208 12.206 13.260 1.00 42.55 C

ATOM 1128 ODl ASP A 198 -38.329 13.265 13.896 1.00 42.69 o

ATOM 1129 OD2 ASP A 198 -39.190 11.595 12.815 1.00 37.36 o

ATOM 1130 C ASP A 198 -34.383 12.116 12.714 1.00 46.92 C

ATOM 1131 or ASP A 198 -33.854 11.507 13.617 1.00 45.81 o

ATOM 1132 N LEU A 199 -33.848 12.166 11.506 1.00 49.56 N

ATOM 1133 CA LEU A 199 -32.658 11.318 11.195 1.00 52.92 C

ATOM 1134 CB LEU A 199 -32.347 11.293 9.698 1.00 51.27 C

ATOM 1135 CG LEU A 199 -33.493 10.619 8.961 1.00 48.92 c

ATOM 1136 CD1 LEU A 199 -33.174 10.477 7.525 1.00 46.43 c

ATOM 1137 CD2 LEU A 199 -33.714 9.280 9.563 1.00 49.34 c

ATOM 1138 C LEU A 199 -31.437 11.682 12.074 1.00 55.14 c

ATOM 1139 or LEU A 199 -30.874 10.782 12.724 1.00 56.47 o

ATOM 1140 N PRO A 200 -31.085 12.991 12.154 1.00 57.05 N

ATOM 1141 CA PRO A 200 -30.033 13.398 13.116 1.00 59.36 C

ATOM 1142 CB PRO A 200 -29.721 14.853 12.705 1.00 59.27 C

ATOM 1143 CG PRO A 200 -30.901 15.335 11.843 1.00 57.97 C

ATOM 1144 CD PRO A 200 -31.595 14.123 11.332 1.00 56.76 C

ATOM 1145 C PRO A 200 -30.401 13.306 14.642 1.00 61.56 C

ATOM 1146 or PRO A 200 -29.487 13.282 15.494 1.00 62.07 o

ATOM 1147 N LEU A 201 -31.698 13.217 14.985 1.00 62.60 N ATOM 1148 CA LEU A 201 -32.155 13.373 16.370 1.00 63.53 C

ATOM 1149 CB LEU A 201 -33.659 13.629 16.409 1.00 64.72 C

ATOM 1150 CG LEU A 201 -34.000 15.099 16.620 1.00 67.35 C

ATOM 1151 CD1 LEU A 201 -35.007 15.659 15.529 1.00 69.68 C

ATOM 1152 CD2 LEU A 201 -34.471 15.357 18.063 1.00 67.81 C

ATOM 1153 C LEU A 201 -31.857 12.251 17.340 1.00 63.82 C

ATOM 1154 or LEU A 201 -31.872 12.494 18.572 1.00 64.26 0

ATOM 1155 N MET A 202 -31.620 11.033 16.826 1.00 63.38 N

ATOM 1156 CA MET A 202 -31.418 9.841 17.685 1.00 64.20 C

ATOM 1157 CB MET A 202 -32.686 9.504 18.494 1.00 64.36 C

ATOM 1158 CG MET A 202 -33.946 9.245 17.625 1.00 66.58 C

ATOM 1159 SD MET A 202 -35.478 9.045 18.610 1.00 69.54 S

ATOM 1160 CE MET A 202 -36.332 10.569 18.125 1.00 68.76 C

ATOM 1161 C MET A 202 -30.989 8.611 16.903 1.00 62.25 C

ATOM 1162 or MET A 202 -31.149 8.564 15.673 1.00 63.85 0

ATOM 1163 N ALA A 203 -30.434 7.628 17.618 1.00 59.90 N

ATOM 1164 CA ALA A 203 -30.149 6.304 17.055 1.00 58.31 C

ATOM 1165 CB ALA A 203 -29.085 5.556 17.925 1.00 58.00 C

ATOM 1166 C ALA A 203 -31.474 5.497 16.974 1.00 56.25 C

ATOM 1167 or ALA A 203 -32.372 5.727 17.781 1.00 56.31 o

ATOM 1168 N LEU A 204 -31.589 4.572 16.018 1.00 54.14 N

ATOM 1169 CA LEU A 204 -32.862 3.918 15.765 1.00 52.08 C

ATOM 1170 CB LEU A 204 -33.015 2.731 16.753 1.00 52.65 C

ATOM 1171 CG LEU A 204 -34.170 1.680 16.676 1.00 54.72 C

ATOM 1172 CD1 LEU A 204 -33.749 0.382 16.024 1.00 54.44 C

ATOM 1173 CD2 LEU A 204 -34.780 1.376 18.034 1.00 53.19 C

ATOM 1174 C LEU A 204 -34.061 4.921 15.876 1.00 49.44 C

ATOM 1175 or LEU A 204 -34.873 4.776 16.769 1.00 47.81 o

ATOM 1176 N PRO A 205 -34.157 5.954 14.986 1.00 47.74 N

ATOM 1177 CA PRO A 205 -35.332 6.826 15.098 1.00 46.04 C

ATOM 1178 CB PRO A 205 -34.953 8.041 14.236 1.00 44.52 C

ATOM 1179 CG PRO A 205 -34.020 7.523 13.229 1.00 44.21 C

ATOM 1180 CD PRO A 205 -33.301 6.365 13.839 1.00 48.04 C

ATOM 1181 C PRO A 205 -36.554 6.135 14.464 1.00 45.13 C

ATOM 1182 or PRO A 205 -36.438 5.496 13.388 1.00 43.15 o

ATOM 1183 N PRO A 206 -37.736 6.334 15.076 1.00 44.43 N

ATOM 1184 CA PRO A 206 -38.908 5.701 14.450 1.00 42.55 C

ATOM 1185 CB PRO A 206 -40.007 5.750 15.557 1.00 44.64 C

ATOM 1186 CG PRO A 206 -39.586 6.895 16.473 1.00 43.01 C

ATOM 1187 CD PRO A 206 -38.060 7.033 16.334 1.00 44.21 C

ATOM 1188 C PRO A 206 -39.282 6.317 13.147 1.00 40.02 C ATOM 1189 or PRO A 206 -39.117 7.564 12.878 1.00 41.45 o

ATOM 1190 N CYS A 207 -39.727 5.419 12.291 1.00 36.25 N

ATOM 1191 CA CYS A 207 -40.209 5.782 10.992 1.00 34.47 C

ATOM 1192 CB CYS A 207 -40.528 4.537 10.137 1.00 34.70 C

ATOM 1193 SG CYS A 207 -42.159 3.643 10.678 1.00 41.14 S

ATOM 1194 C CYS A 207 -41.453 6.650 11.192 1.00 30.85 C

ATOM 1195 or CYS A 207 -42.016 6.681 12.234 1.00 26.93 o

ATOM 1196 N HIS A 208 -41.844 7.348 10.150 1.00 32.87 N

ATOM 1197 CA HIS A 208 -43.052 8.129 10.137 1.00 33.79 C

ATOM 1198 CB HIS A 208 -42.914 9.396 9.191 1.00 33.74 C

ATOM 1199 CG HIS A 208 -44.218 10.138 9.060 1.00 40.21 C

ATOM 1200 ND1 HIS A 208 -45.064 9.978 7.962 1.00 45.72 N

ATOM 1201 CE1 HIS A 208 -46.192 10.640 8.186 1.00 46.08 C

ATOM 1202 NE2 HIS A 208 -46.150 11.151 9.409 1.00 43.98 N

ATOM 1203 CD2 HIS A 208 -44.929 10.853 9.981 1.00 41.04 C

ATOM 1204 C HIS A 208 -44.225 7.177 9.626 1.00 33.87 C

ATOM 1205 or HIS A 208 -45.272 7.106 10.192 1.00 34.08 o

ATOM 1206 N ALA A 209 -43.990 6.497 8.510 1.00 32.80 N

ATOM 1207 CA ALA A 209 -44.959 5.691 7.827 1.00 34.86 C

ATOM 1208 CB ALA A 209 -45.294 6.295 6.422 1.00 31.62 c

ATOM 1209 C ALA A 209 -44.374 4.241 7.624 1.00 35.31 c

ATOM 1210 or ALA A 209 -43.265 4.071 7.121 1.00 34.13 o

ATOM 1211 N LEU A 210 -45.184 3.225 7.940 1.00 34.94 N

ATOM 1212 CA LEU A 210 -44.880 1.883 7.392 1.00 32.59 C

ATOM 1213 CB LEU A 210 -44.537 0.939 8.510 1.00 34.12 C

ATOM 1214 CG LEU A 210 -45.311 -0.186 9.165 1.00 40.38 C

ATOM 1215 CD1 LEU A 210 -45.816 -1.276 8.161 1.00 29.67 C

ATOM 1216 CD2 LEU A 210 -44.225 -0.718 10.119 1.00 42.75 C

ATOM 1217 C LEU A 210 -45.951 1.406 6.434 1.00 31.45 C

ATOM 1218 or LEU A 210 -47.137 1.508 6.640 1.00 31.19 o

ATOM 1219 N CYS A 211 -45.481 0.949 5.309 1.00 30.41 N TOM 1220 CA CYS A 211 -46.243 0.419 4.220 1.00 30.91 C

ATOM 1221 CB CYS A 211 -45.562 1.058 3.054 1.00 30.30 C

ATOM 1222 SG CYS A 211 -46.330 0.834 1.706 1.00 38.52 S

ATOM 1223 C CYS A 211 -46.062 -1.207 4.135 1.00 31.88 C

ATOM 1224 or CYS A 211 -44.922 -1.711 3.959 1.00 30.77 o

ATOM 1225 N GLN A 212 -47.157 -1.978 4.271 1.00 30.41 N

ATOM 1226 CA GLN A 212 -47.135 -3.479 4.220 1.00 28.37 C

ATOM 1227 CB GLN A 212 -47.693 -4.064 5.526 1.00 28.63 C

ATOM 1228 CG GLN A 212 -47.687 -5.693 5.470 1.00 28.23 C

ATOM 1229 CD GLN A 212 -48.281 -6.383 6.628 1.00 26.41 c ATOM 1230 OE1 GLN A 212 -48 759 -5.772 7.567 1.00 21.84 O

ATOM 1231 NE2 GLN A 212 -48 179 -7.750 6.630 1.00 31.28 N

ATOM 1232 C GLN A 212 -47. 927 -3.934 2.992 1.00 28.98 C

ATOM 1233 or GLN A 212 -49.049 -3.499 2.831 1.00 29.70 O

ATOM 1234 N PHE A 213 -47. 341 -4.677 2.029 1.00 28.48 N

ATOM 1235 CA PHE A 213 -48. 117 -5.192 0.917 1.00 27.42 C

ATOM 1236 CB PHE A 213 -47. 370 -5.102 -0.398 1.00 28.27 C

ATOM 1237 CG PHE A 213 -47. 044 -3.699 -0.795 1.00 28.94 C

ATOM 1238 CD1 PHE A 213 -47. 902 -2.984 -1.629 1.00 28.24 C

ATOM 1239 CE1 PHE A 213 -47. 597 -1.601 -2.024 1.00 24.95 C

ATOM 1240 CZ PHE A 213 -46. 494 -1.002 -1.473 1.00 28.02 C

ATOM 1241 CE2 PHE A 213 -45. 637 -1.702 -0.581 1.00 28.38 C

ATOM 1242 CD2 PHE A 213 -45. 950 -3.059 -0.234 1.00 28.54 C

ATOM 1243 C PHE A 213 -48. 590 -6.615 1.213 1.00 29.87 C

ATOM 1244 or PHE A 213 -4£ .158 -7.184 2.200 1.00 30.38 O

ATOM 1245 N TYR A 214 -49. 498 -7.153 0.404 1.00 28.43 N

ATOM 1246 CA TYR A 214 -50. 142 -8.357 0.713 1.00 30.38 C

ATOM 1247 CB TYR A 214 -51. 230 -8.116 1.730 1.00 30.75 C

ATOM 1248 CG TYR A 214 -52. 188 -9.273 2.002 1.00 27.76 C

ATOM 1249 CD1 TYR A 214 -52. 027 - 10.102 3.087 1.00 27.34 c

ATOM 1250 CE1 TYR A 214 -52. 969 - 11.114 3.347 1.00 27.19 c

ATOM 1251 CZ TYR A 214 -54. 052 - 11.309 2.477 1.00 31.66 c

ATOM 1252 OH TYR A 214 -55. 067 - 12.281 2.680 1.00 30.30 0

ATOM 1253 CE2 TYR A 214 -54. 196 - 10.489 1.393 1.00 26.77 c

ATOM 1254 CD2 TYR A 214 -53. 249 -9.507 1.165 1.00 31.41 c

ATOM 1255 C TYR A 214 -50. 745 -8.860 -0.625 1.00 32.78 c

ATOM 1256 or TYR A 214 -51 .302 -8.065 -1.411 1.00 32.46 0

ATOM 1257 N VAL A 215 -50. 563 - 10.165 -0.894 1.00 33.16 N

ATOM 1258 CA VAL A 215 -51. 009 - 10.821 -2.163 1.00 33.90 C

ATOM 1259 CB VAL A 215 -49. 863 - 11.247 -3.075 1.00 33.22 c

ATOM 1260 CGI VAL A 215 -50. 385 - 11.731 -4.466 1.00 30.75 c

ATOM 1261 CG2 VAL A 215 -48. 839 - 10.102 -3.231 1.00 32.01 c

ATOM 1262 C VAL A 215 -51. 881 - 12.040 -1.830 1.00 36.07 c

ATOM 1263 or VAL A 215 -51 .547 -12.852 -0.992 1.00 35.32 0

ATOM 1264 N VAL A 216 -53. 052 - 12.107 -2.456 1.00 39.28 N

ATOM 1265 CA VAL A 216 -53. 879 - 13.321 -2.453 1.00 39.68 C

ATOM 1266 CB VAL A 216 -54. 735 - 13.430 -1.236 1.00 39.58 C

ATOM 1267 CGI VAL A 216 -56. 013 - 12.567 -1.415 1.00 37.39 C

ATOM 1268 CG2 VAL A 216 -55. 034 - 14.978 -0.912 1.00 39.51 c

ATOM 1269 C VAL A 216 -54. 685 - 13.249 -3.759 1.00 41.83 c

ATOM 1270 or VAL A 216 -54 .961 -12.115 -4.258 1.00 41.22 0 ATOM 1271 N ASN A 217 -54.958 -14.425 -4.375 1.00 42.87 N

ATOM 1272 CA ASN A 217 -55. 722 -14.520 -5.630 1.00 42.60 C

ATOM 1273 CB ASN A 217 -57. 194 -14.293 -5.368 1.00 43.36 C

ATOM 1274 CG ASN A 217 -57. 769 -15.276 -4.400 1.00 46.80 C

ATOM 1275 ODl ASN A 217 -58. 714 -14.961 -3.693 1.00 50.38 O

ATOM 1276 ND2 ASN A 217 -57. 226 -16.495 -4.378 1.00 49.71 N

ATOM 1277 C ASN A 217 -55. 338 -13.449 -6.604 1.00 44.00 C

ATOM 1278 or ASN A 217 -56.219 -12.682 -7.087 1.00 44.33 O

ATOM 1279 N SER A 218 -54. 041 -13.329 -6.874 1.00 43.79 N

ATOM 1280 CA SER A 218 -53. 600 -12.421 -7.922 1.00 43.63 C

ATOM 1281 CB SER A 218 -54. 144 -12.969 -9.250 1.00 45.10 C

ATOM 1282 OG SER A 218 -53. 181 -13.908 -9.772 1.00 51.79 O

ATOM 1283 C SER A 218 -53. 929 -10.883 -7.748 1.00 42.54 C

ATOM 1284 or SER A 218 -53 .802 -10.124 -8.711 1.00 40.65 O

ATOM 1285 N GLU A 219 -54. 365 -10.488 -6.523 1.00 41.80 N

ATOM 1286 CA GLU A 219 -54. 575 -9.073 -6.093 1.00 40.48 C

ATOM 1287 CB GLU A 219 -55. 907 -8.889 -5.374 1.00 38.65 C

ATOM 1288 CG GLU A 219 -57. 015 -9.030 -6.343 1.00 44.46 C

ATOM 1289 CD GLU A 219 -58. 387 -8.739 -5.732 1.00 51.98 C

ATOM 1290 OE1 GLU A 219 -58. 607 -8.815 -4.490 1.00 52.83 O

ATOM 1291 OE2 GLU A 219 -59. 244 -8.396 -6.550 1.00 57.47 O

ATOM 1292 C GLU A 219 -53. 520 -8.581 -5.134 1.00 37.36 C

ATOM 1293 or GLU A 219 -53 .315 -9.207 -4.096 1.00 37.10 O

ATOM 1294 N LEU A 220 -52. 968 -7.389 -5.428 1.00 35.66 N

ATOM 1295 CA LEU A 220 -52. 013 -6.676 -4.544 1.00 31.75 C

ATOM 1296 CB LEU A 220 -50. 944 -6.024 -5.385 1.00 30.08 C

ATOM 1297 CG LEU A 220 -49. 871 -5.277 -4.555 1.00 27.75 C

ATOM 1298 CD1 LEU A 220 -48. 915 -6.253 -3.792 1.00 25.76 C

ATOM 1299 CD2 LEU A 220 -49. 127 -4.347 -5.424 1.00 19.00 C

ATOM 1300 C LEU A 220 -52. 746 -5.653 -3.671 1.00 32.05 c

ATOM 1301 or LEU A 220 -53 .386 -4.749 -4.188 1.00 33.20 0

ATOM 1302 N SER A 221 -52. 689 -5.841 -2.360 1.00 30.95 N

ATOM 1303 CA SER A 221 -53. 175 -4.918 -1.383 1.00 29.90 C

ATOM 1304 CB SER A 221 -54. 097 -5.527 -0.347 1.00 28.18 C

ATOM 1305 OG SER A 221 -55. 315 -5.866 -0.938 1.00 29.57 O

ATOM 1306 C SER A 221 -52. 041 -4.178 -0.647 1.00 30.40 C

ATOM 1307 or SER A 221 -50 .891 -4.667 -0.601 1.00 26.67 O

ATOM 1308 N CYS A 222 -52. 387 -3.007 -0.049 1.00 28.80 N

ATOM 1309 CA CYS A 222 -51. 404 -2.178 0.661 1.00 25.86 C

ATOM 1310 CB CYS A 222 -50. 946 -1.130 -0.351 1.00 28.92 C

ATOM 1311 SG CYS A 222 -49. 926 0.121 0.464 1.00 29.75 S ATOM 1312 C CYS A 222 -52.001 -1.574 1.928 1.00 27.42 C

ATOM 1313 or CYS A 222 -53.128 -1.070 1.903 1.00 28.75 o

ATOM 1314 N GLN A 223 -51.363 -1.738 3.096 1.00 26.80 N

ATOM 1315 CA GLN A 223 -51.736 -1.045 4.260 1.00 26.45 C

ATOM 1316 CB GLN A 223 -51.960 -1.966 5.450 1.00 25.67 C

ATOM 1317 CG GLN A 223 -52.411 -1.287 6.753 1.00 26.86 C

ATOM 1318 CD GLN A 223 -53.056 -2.209 7.755 1.00 28.57 C

ATOM 1319 OEl GLN A 223 -52.948 -3.485 7.693 1.00 37.11 o

ATOM 1320 NE2 GLN A 223 -53.749 -1.619 8.704 1.00 23.78 N

ATOM 1321 C GLN A 223 -50.592 0.010 4.581 1.00 29.27 C

ATOM 1322 or GLN A 223 -49.369 -0.316 4.665 1.00 23.98 o

ATOM 1323 N LEU A 224 -51.057 1.278 4.731 1.00 28.89 N

ATOM 1324 CA LEU A 224 -50.236 2.371 5.253 1.00 28.58 C

ATOM 1325 CB LEU A 224 -50.381 3.650 4.378 1.00 29.87 C

ATOM 1326 CG LEU A 224 -49.639 4.862 4.941 1.00 29.07 c

ATOM 1327 CD1 LEU A 224 -48.028 4.534 4.784 1.00 19.18 c

ATOM 1328 CD2 LEU A 224 -50.155 6.045 4.146 1.00 29.68 c TOM 1329 C LEU A 224 -50.569 2.613 6.651 1.00 27.53 c TOM 1330 or LEU A 224 -51.674 2.870 6.960 1.00 29.72 o TOM 1331 N TYR A 225 -49.599 2.488 7.552 1.00 27.94 N

ATOM 1332 CA TYR A 225 -49.734 2.910 8.921 1.00 27.58 C

ATOM 1333 CB TYR A 225 -49.179 1.873 9.823 1.00 27.53 C

ATOM 1334 CG TYR A 225 -49.272 2.239 11.252 1.00 29.27 C

ATOM 1335 CD1 TYR A 225 -48.304 3.023 11.869 1.00 39.76 c

ATOM 1336 CE1 TYR A 225 -48.406 3.395 13.244 1.00 32.93 c

ATOM 1337 CZ TYR A 225 -49.487 2.994 13.959 1.00 32.47 c

ATOM 1338 OH TYR A 225 -49.628 3.295 15.331 1.00 27.40 o

ATOM 1339 CE2 TYR A 225 -50.429 2.236 13.330 1.00 32.47 c

ATOM 1340 CD2 TYR A 225 -50.327 1.884 11.988 1.00 30.24 c

ATOM 1341 C TYR A 225 -48.911 4.244 9.134 1.00 29.16 c

ATOM 1342 or TYR A 225 -47.729 4.286 8.834 1.00 28.81 o

ATOM 1343 N GLN A 226 -49.567 5.324 9.612 1.00 29.35 N

ATOM 1344 CA GLN A 226 -48.813 6.614 9.784 1.00 26.74 C

ATOM 1345 CB GLN A 226 -49.508 7.716 9.017 1.00 28.13 c

ATOM 1346 CG GLN A 226 -49.387 7.728 7.597 1.00 28.37 c

ATOM 1347 CD GLN A 226 -50.185 8.937 7.013 1.00 36.05 c

ATOM 1348 OEl GLN A 226 -50.996 8.819 6.147 1.00 36.91 o

ATOM 1349 NE2 GLN A 226 -49.916 10.109 7.547 1.00 47.58 N

ATOM 1350 C GLN A 226 -48.912 6.927 11.187 1.00 25.04 C

ATOM 1351 or GLN A 226 -50.019 6.889 11.736 1.00 24.75 o

ATOM 1352 N ARG A 227 -47.776 7.197 11.857 1.00 24.19 N ATOM 1353 CA ARG A 227 -47.880 7.525 13.219 1.00 23.53 C

ATOM 1354 CB ARG A 227 -46.493 7.617 13.828 1.00 24.47 C

ATOM 1355 CG ARG A 227 -45.638 8.730 13.241 1.00 28.30 C

ATOM 1356 CD ARG A 227 -44.357 9.041 14.066 1.00 29.04 C

ATOM 1357 NE ARG A 227 -43.748 10.281 13.524 1.00 33.38 N

ATOM 1358 cz ARG A 227 -42.467 10.431 13.221 1.00 35.94 C

ATOM 1359 NH1 ARG A 227 -42.068 11.583 12.720 1.00 36.61 N

ATOM 1360 NH2 ARG A 227 -41.585 9.450 13.420 1.00 32.51 N

ATOM 1361 C ARG A 227 -48.722 8.844 13.575 1.00 23.71 C

ATOM 1362 or ARG A 227 -49.098 9.083 14.755 1.00 22.27 O

ATOM 1363 N SER A 228 -48.971 9.658 12.574 1.00 24.18 N

ATOM 1364 CA SER A 228 -49.765 10.904 12.757 1.00 29.83 C

ATOM 1365 CB SER A 228 -48.968 12.096 13.381 1.00 29.01 C

ATOM 1366 OG SER A 228 -48.091 12.542 12.414 1.00 33.10 O

ATOM 1367 C SER A 228 -50.333 11.243 11.447 1.00 28.33 C

ATOM 1368 or SER A 228 -49.727 10.942 10.401 1.00 30.19 O

ATOM 1369 N GLY A 229 -51.566 11.751 11.441 1.00 26.23 N

ATOM 1370 CA GLY A 229 -52.060 12.055 10.113 1.00 25.81 C

ATOM 1371 C GLY A 229 -52.874 13.337 10.133 1.00 28.19 C

ATOM 1372 or GLY A 229 -53.825 13.497 10.933 1.00 28.02 O

ATOM 1373 N ASP A 230 -52.527 14.227 9.203 1.00 29.47 N

ATOM 1374 CA ASP A 230 -53.142 15.531 9.063 1.00 26.04 C

ATOM 1375 CB ASP A 230 -52.079 16.382 8.415 1.00 29.40 C

ATOM 1376 CG ASP A 230 -52.512 17.846 8.154 1.00 34.94 C

ATOM 1377 OD1 ASP A 230 -53.740 18.195 8.119 1.00 38.08 O

ATOM 1378 OD2 ASP A 230 -51.549 18.622 7.875 1.00 45.43 O

ATOM 1379 C ASP A 230 -54.378 15.371 8.241 1.00 23.13 C

ATOM 1380 or ASP A 230 -54.326 15.286 7.026 1.00 22.03 O

ATOM 1381 N MET A 231 -55.560 15.354 8.869 1.00 24.46 N

ATOM 1382 CA MET A 231 -56.736 14.948 7.983 1.00 26.07 C

ATOM 1383 CB MET A 231 -58.000 14.733 8.825 1.00 23.79 C

ATOM 1384 CG MET A 231 -57.772 13.688 9.984 1.00 30.22 C

ATOM 1385 SD MET A 231 -57.689 12.052 9.153 1.00 33.86 S

ATOM 1386 CE MET A 231 -59.268 11.934 8.357 1.00 30.38 C

ATOM 1387 C MET A 231 -57.063 15.902 6.922 1.00 27.26 C

ATOM 1388 or MET A 231 -57.666 15.505 5.912 1.00 27.60 O

ATOM 1389 N GLY A 232 -56.814 17.223 7.170 1.00 30.04 N

ATOM 1390 CA GLY A 232 -57.205 18.227 6.066 1.00 29.94 C

ATOM 1391 C GLY A 232 -56.336 18.299 4.861 1.00 29.95 C

ATOM 1392 or GLY A 232 -56.819 18.389 3.714 1.00 33.16 O

ATOM 1393 N LEU A 233 -55.035 18.373 5.073 1.00 32.73 N ATOM 1394 CA LEU A 233 -54.043 18.429 3.958 1.00 34.68 C

ATOM 1395 CB LEU A 233 -52.914 19.465 4.302 1.00 37.10 C

ATOM 1396 CG LEU A 233 -52.814 20.894 3.653 1.00 41.52 C

ATOM 1397 CD1 LEU A 233 -53.533 21.051 2.266 1.00 37.98 C

ATOM 1398 CD2 LEU A 233 -53.364 21.886 4.586 1.00 42.92 C

ATOM 1399 C LEU A 233 -53.341 17.090 3.501 1.00 35.22 C

ATOM 1400 or LEU A 233 -53.404 16.697 2.311 1.00 36.11 o

ATOM 1401 N GLY A 234 -52.668 16.441 4.460 1.00 35.14 N

ATOM 1402 CA GLY A 234 -51.772 15.254 4.241 1.00 34.55 C

ATOM 1403 C GLY A 234 -52.548 14.018 3.864 1.00 31.94 C TOM 1404 or GLY A 234 -52.253 13.422 2.837 1.00 32.19 o

ATOM 1405 N VAL A 235 -53.622 13.727 4.613 1.00 31.38 N

ATOM 1406 CA VAL A 235 -54.416 12.478 4.390 1.00 30.17 C

ATOM 1407 CB VAL A 235 -55.459 12.194 5.515 1.00 30.36 C

ATOM 1408 CGI VAL A 235 -56.469 11.008 5.164 1.00 25.24 C

ATOM 1409 CG2 VAL A 235 -54.685 11.894 6.774 1.00 23.42 C TOM 1410 C VAL A 235 -54.915 12.257 2.992 1.00 31.60 C

ATOM 1411 or VAL A 235 -54.591 11.189 2.384 1.00 32.33 o TOM 1412 N PRO A 236 -55.684 13.252 2.402 1.00 31.15 N

ATOM 1413 CA PRO A 236 -56.149 12.940 1.049 1.00 29.82 C

ATOM 1414 CB PRO A 236 -56.991 14.202 0.650 1.00 30.80 C

ATOM 1415 CG PRO A 236 -57.502 14.706 1.947 1.00 29.61 C

ATOM 1416 CD PRO A 236 -56.272 14.504 2.901 1.00 28.34 C

ATOM 1417 C PRO A 236 -55.081 12.703 0.032 1.00 30.71 C

ATOM 1418 or PRO A 236 -55.261 12.017 -1.025 1.00 28.54 o

ATOM 1419 N PHE A 237 -54.004 13.396 0.273 1.00 33.31 N

ATOM 1420 CA PHE A 237 -52.861 13.327 -0.620 1.00 36.90 C

ATOM 1421 CB PHE A 237 -51.936 14.490 -0.229 1.00 38.68 C

ATOM 1422 CG PHE A 237 -50.890 14.781 -1.216 1.00 43.87 C

ATOM 1423 CD1 PHE A 237 -51.141 15.693 -2.244 1.00 48.18 C TOM 1424 CE1 PHE A 237 -50.121 15.993 -3.197 1.00 51.25 C

ATOM 1425 CZ PHE A 237 -48.851 15.326 -3.104 1.00 49.00 C

ATOM 1426 CE2 PHE A 237 -48.606 14.389 -2.083 1.00 48.38 C

ATOM 1427 CD2 PHE A 237 -49.620 14.125 -1.129 1.00 46.98 C

ATOM 1428 C PHE A 237 -52.112 11.944 -0.452 1.00 34.84 C TOM 1429 or PHE A 237 -51.743 11.332 -1.419 1.00 34.93 o

ATOM 1430 N ASN A 238 -51.822 11.552 0.776 1.00 35.88 N

ATOM 1431 CA ASN A 238 -51.341 10.158 1.123 1.00 37.73 C

ATOM 1432 CB ASN A 238 -51.170 10.023 2.635 1.00 39.70 C

ATOM 1433 CG ASN A 238 -49.907 10.651 3.078 1.00 46.70 C

ATOM 1434 ODl ASN A 238 -48.851 10.285 2.560 1.00 58.57 o ATOM 1435 ND2 ASN A 238 -49.981 11.665 3.934 1.00 50.90 N

ATOM 1436 C ASN A 238 -52.159 8.984 0.582 1.00 36.06 C

ATOM 1437 or ASN A 238 -51.585 8.042 0.040 1.00 34.88 o

ATOM 1438 N ILE A 239 -53.498 9.086 0.689 1.00 35.12 N

ATOM 1439 CA ILE A 239 -54.375 8.083 0.168 1.00 33.32 C

ATOM 1440 CB ILE A 239 -55.847 8.449 0.311 1.00 33.21 C

ATOM 1441 CGI ILE A 239 -56.245 8.490 1.774 1.00 29.62 C

ATOM 1442 CD1 ILE A 239 -57.774 8.840 1.947 1.00 33.59 C

ATOM 1443 CG2 ILE A 239 -56.701 7.536 -0.536 1.00 31.50 C

ATOM 1444 C ILE A 239 -54.092 7.932 -1.293 1.00 35.02 C

ATOM 1445 or ILE A 239 -54.000 6.771 -1.839 1.00 33.63 o

ATOM 1446 N ALA A 240 -54.019 9.083 -2.013 1.00 33.04 N

ATOM 1447 CA ALA A 240 -53.854 8.976 -3.464 1.00 29.77 C

ATOM 1448 CB ALA A 240 -54.145 10.344 -4.137 1.00 29.86 C

ATOM 1449 C ALA A 240 -52.480 8.407 -3.941 1.00 27.52 C

ATOM 1450 or ALA A 240 -52.277 7.869 -5.047 1.00 26.76 o

ATOM 1451 N SER A 241 -51.525 8.805 -3.198 1.00 27.08 N

ATOM 1452 CA SER A 241 -50.155 8.537 -3.415 1.00 30.18 C

ATOM 1453 CB SER A 241 -49.564 9.457 -2.347 1.00 29.71 C

ATOM 1454 OG SER A 241 -48.191 9.473 -2.324 1.00 38.82 o

ATOM 1455 C SER A 241 -49.820 6.967 -3.136 1.00 29.83 C

ATOM 1456 or SER A 241 -49.330 6.257 -3.982 1.00 33.01 o

ATOM 1457 N TYR A 242 -50.122 6.446 -1.989 1.00 29.66 N

ATOM 1458 CA TYR A 242 -50.009 4.940 -1.717 1.00 29.73 C

ATOM 1459 CB TYR A 242 -50.126 4.713 -0.252 1.00 30.06 C

ATOM 1460 CG TYR A 242 -48.854 5.034 0.384 1.00 27.76 C

ATOM 1461 CD1 TYR A 242 -47.780 4.025 0.433 1.00 31.45 C

ATOM 1462 CE1 TYR A 242 -46.575 4.299 1.009 1.00 33.35 C

ATOM 1463 CZ TYR A 242 -46.334 5.588 1.557 1.00 34.22 c

ATOM 1464 OH TYR A 242 -45.136 5.841 2.186 1.00 32.45 o

ATOM 1465 CE2 TYR A 242 -47.335 6.566 1.536 1.00 32.43 c

ATOM 1466 CD2 TYR A 242 -48.600 6.283 0.894 1.00 31.01 c

ATOM 1467 C TYR A 242 -50.927 4.105 -2.540 1.00 30.99 c

ATOM 1468 or TYR A 242 -50.474 3.077 -3.061 1.00 31.05 o

ATOM 1469 N ALA A 243 -52.123 4.613 -2.902 1.00 31.23 N

ATOM 1470 CA ALA A 243 -52.895 3.947 -3.979 1.00 33.15 C

ATOM 1471 CB ALA A 243 -54.321 4.389 -4.061 1.00 32.23 C

ATOM 1472 C ALA A 243 -52.236 3.860 -5.390 1.00 34.31 C

ATOM 1473 or ALA A 243 -52.404 2.885 -6.155 1.00 34.49 o

ATOM 1474 N LEU A 244 -51.502 4.908 -5.722 1.00 34.84 N

ATOM 1475 CA LEU A 244 -50.795 5.013 -6.974 1.00 35.30 C ATOM 1476 CB LEU A 244 -50.348 6.495 -7.246 1.00 34.57 C

ATOM 1477 CG LEU A 244 -49.379 6.739 -8.419 1.00 35.47 C

ATOM 1478 CD1 LEU A 244 -49.895 6.222 -9.776 1.00 38.15 C

ATOM 1479 CD2 LEU A 244 -49.000 8.222 -8.499 1.00 39.24 C

ATOM 1480 C LEU A 244 -49.572 4.092 -6.949 1.00 33.67 C

ATOM 1481 or LEU A 244 -49.416 3.328 -7.831 1.00 34.82 o

ATOM 1482 N LEU A 245 -48.692 4.253 -5.992 1.00 33.51 N

ATOM 1483 CA LEU A 245 -47.688 3.263 -5.660 1.00 34.50 C

ATOM 1484 CB LEU A 245 -47.051 3.584 -4.294 1.00 34.13 C

ATOM 1485 CG LEU A 245 -45.829 2.674 -4.000 1.00 33.46 C

ATOM 1486 CD1 LEU A 245 -44.685 2.800 -4.993 1.00 29.20 C

ATOM 1487 CD2 LEU A 245 -45.415 2.765 -2.599 1.00 25.98 C

ATOM 1488 C LEU A 245 -48.196 1.758 -5.816 1.00 34.58 C

ATOM 1489 or LEU A 245 -47.618 1.016 -6.541 1.00 35.54 o

ATOM 1490 N THR A 246 -49.358 1.413 -5.277 1.00 35.54 N

ATOM 1491 CA THR A 246 -49.954 0.105 -5.388 1.00 33.88 C

ATOM 1492 CB THR A 246 -51.186 -0.081 -4.543 1.00 32.72 C

ATOM 1493 OGl THR A 246 -50.878 0.274 -3.213 1.00 28.15 o

ATOM 1494 CG2 THR A 246 -51.680 -1.524 -4.544 1.00 33.09 C

ATOM 1495 C THR A 246 -50.267 -0.231 -6.791 1.00 36.32 C

ATOM 1496 or THR A 246 -50.020 -1.384 -7.201 1.00 36.40 o

ATOM 1497 N TYR A 247 -50.808 0.750 -7.545 1.00 36.65 N

ATOM 1498 CA TYR A 247 -51.106 0.550 -8.953 1.00 34.54 C

ATOM 1499 CB TYR A 247 -51.841 1.748 -9.621 1.00 34.22 C

ATOM 1500 CG TYR A 247 -53.361 1.558 -9.682 1.00 32.39 C

ATOM 1501 CD1 TYR A 247 -53.984 1.240 - 10.867 1.00 32.86 C

ATOM 1502 CE1 TYR A 247 -55.335 1.074 - 10.923 1.00 30.33 C

ATOM 1503 CZ TYR A 247 -56.080 1.249 -9.786 1.00 30.85 C

ATOM 1504 OH TYR A 247 -57.447 1.037 -9.854 1.00 33.46 o

ATOM 1505 CE2 TYR A 247 -55.509 1.574 -8.601 1.00 25.92 c

ATOM 1506 CD2 TYR A 247 -54.168 1.739 -8.541 1.00 28.69 c

ATOM 1507 C TYR A 247 -49.861 0.242 -9.733 1.00 33.93 c

ATOM 1508 or TYR A 247 -49.910 -0.530 -10.624 1.00 34.58 o

ATOM 1509 N MET A 248 -48.798 0.980 -9.499 1.00 35.20 N

ATOM 1510 CA MET A 248 -47.473 0.793 - 10.151 1.00 36.19 C

ATOM 1511 CB MET A 248 -46.518 1.869 -9.621 1.00 35.62 C

ATOM 1512 CG MET A 248 -46.884 3.219 - 10.188 1.00 37.00 c

ATOM 1513 SD MET A 248 -45.884 4.480 -9.457 1.00 42.24 s TOM 1514 CE MET A 248 -44.781 4.817 - 10.760 1.00 46.08 c

ATOM 1515 C MET A 248 -46.872 -0.627 -9.892 1.00 34.92 c

ATOM 1516 or MET A 248 -46.541 -1.338 -10.820 1.00 34.54 o ATOM 1517 N ILE A 249 -46.769 -0.989 -8.619 1.00 35.81 N

ATOM 1518 CA ILE A 249 -46.252 -2.283 -8.166 1.00 36.04 C

ATOM 1519 CB ILE A 249 -46.018 -2.312 -6.672 1.00 35.13 C

ATOM 1520 CGI ILE A 249 -44.931 -1.336 -6.290 1.00 27.41 C

ATOM 1521 CD1 ILE A 249 -44.781 -1.268 -4.712 1.00 23.59 C

ATOM 1522 CG2 ILE A 249 -45.596 -3.800 -6.115 1.00 35.25 C

ATOM 1523 C ILE A 249 -47.124 -3.435 -8.700 1.00 38.76 C

ATOM 1524 or ILE A 249 -46.569 -4.365 -9.264 1.00 39.48 O

ATOM 1525 N ALA A 250 -48.452 -3.329 -8.645 1.00 39.27 N

ATOM 1526 CA ALA A 250 -49.293 -4.356 -9.162 1.00 40.10 C

ATOM 1527 CB ALA A 250 -50.770 -4.025 -8.981 1.00 39.62 C

ATOM 1528 C ALA A 250 -48.979 -4.574 -10.610 1.00 42.86 C

ATOM 1529 or ALA A 250 -48.992 -5.722 -11.101 1.00 44.66 O

ATOM 1530 N HIS A 251 -48.749 -3.479 -11.338 1.00 43.88 N

ATOM 1531 CA HIS A 251 -48.624 -3.520 -12.783 1.00 42.99 C

ATOM 1532 CB HIS A 251 -48.685 -2.073 -13.327 1.00 42.43 C

ATOM 1533 CG HIS A 251 -48.318 -1.929 -14.779 1.00 41.09 C

ATOM 1534 ND1 HIS A 251 -49.265 -1.921 -15.803 1.00 43.87 N

ATOM 1535 CE1 HIS A 251 -48.640 -1.800 -16.969 1.00 40.63 C

ATOM 1536 NE2 HIS A 251 -47.335 -1.705 -16.738 1.00 41.48 N

ATOM 1537 CD2 HIS A 251 -47.101 -1.813 -15.384 1.00 36.73 C

ATOM 1538 C HIS A 251 -47.316 -4.198 -13.206 1.00 44.08 C

ATOM 1539 or HIS A 251 -47.261 -4.954 -14.153 1.00 45.01 O

ATOM 1540 N ILE A 252 -46.229 -3.859 -12.564 1.00 45.53 N

ATOM 1541 CA ILE A 252 -44.978 -4.497 -12.890 1.00 46.28 C

ATOM 1542 CB ILE A 252 -43.789 -3.578 -12.464 1.00 46.90 c

ATOM 1543 CGI ILE A 252 -43.687 -3.495 -10.960 1.00 46.00 c

ATOM 1544 CD1 ILE A 252 -42.417 -2.935 -10.542 1.00 46.76 c

ATOM 1545 CG2 ILE A 252 -43.842 -2.231 -13.147 1.00 43.90 c

ATOM 1546 C ILE A 252 -44.812 -5.944 -12.288 1.00 46.50 c

ATOM 1547 or ILE A 252 -43.759 -6.577 -12.465 1.00 48.64 0

ATOM 1548 N THR A 253 -45.813 -6.446 -11.568 1.00 45.33 N

ATOM 1549 CA THR A 253 -45.743 -7.761 -10.915 1.00 43.86 C

ATOM 1550 CB THR A 253 -45.821 -7.762 -9.361 1.00 43.33 C

ATOM 1551 OG1 THR A 253 -47.092 -7.265 -8.839 1.00 42.93 O

ATOM 1552 CG2 THR A 253 -44.617 -7.106 -8.737 1.00 40.01 C

ATOM 1553 C THR A 253 -46.861 -8.602 -11.474 1.00 44.34 c

ATOM 1554 or THR A 253 -47.062 -9.691 -11.026 1.00 45.01 0

ATOM 1555 N GLY A 254 -47.599 -8.068 -12.447 1.00 43.82 N

ATOM 1556 CA GLY A 254 -48.714 -8.781 -13.074 1.00 42.92 C

ATOM 1557 C GLY A 254 -49.855 -9.139 -12.155 1.00 41.85 C ATOM 1558 or GLY A 254 -50.556 -10.118 -12.404 1.00 41.77 o

ATOM 1559 N LEU A 255 -50.053 -8.378 -11.079 1.00 41.73 N

ATOM 1560 CA LEU A 255 -51.294 -8.537 -10.212 1.00 41.34 C

ATOM 1561 CB LEU A 255 -50.960 -8.578 -8.702 1.00 40.15 C

ATOM 1562 CG LEU A 255 -49.792 -9.511 -8.337 1.00 41.29 C

ATOM 1563 CD1 LEU A 255 -49.150 -9.179 -7.023 1.00 38.74 c

ATOM 1564 CD2 LEU A 255 -50.227 - -10.981 -8.399 1.00 38.00 c

ATOM 1565 C LEU A 255 -52.298 -7.425 -10.483 1.00 41.76 c

ATOM 1566 or LEU A 255 -51.998 -6.460 -11.204 1.00 42.98 o

ATOM 1567 N LYS A 256 -53.483 -7.559 -9.912 1.00 41.77 N

ATOM 1568 CA LYS A 256 -54.522 -6.541 -9.992 1.00 42.05 C

ATOM 1569 CB LYS A 256 -55.911 -7.214 -10.108 1.00 43.33 C

ATOM 1570 CG LYS A 256 -56.290 -7.621 -11.547 1.00 48.22 C

ATOM 1571 CD LYS A 256 -56.895 -9.037 -11.474 1.00 58.04 c

ATOM 1572 CE LYS A 256 -57.976 -9.151 -10.401 1.00 58.19 c

ATOM 1573 NZ LYS A 256 -58.091 - -10.550 -9.888 1.00 60.43 N

ATOM 1574 C LYS A 256 -54.507 -5.791 -8.672 1.00 40.28 c

ATOM 1575 or LYS A 256 -54.349 -6.436 -7.657 1.00 39.42 o

ATOM 1576 N PRO A 257 -54.698 -4.432 -8.684 1.00 39.33 N

ATOM 1577 CA PRO A 257 -54.813 -3.708 -7.421 1.00 37.54 C

ATOM 1578 CB PRO A 257 -55.017 -2.231 -7.863 1.00 37.88 C

ATOM 1579 CG PRO A 257 -54.465 -2.126 -9.203 1.00 37.74 C

ATOM 1580 CD PRO A 257 -54.724 -3.504 -9.845 1.00 39.21 C

ATOM 1581 C PRO A 257 -55.948 -4.270 -6.606 1.00 36.30 C

ATOM 1582 or PRO A 257 -56.924 -4.696 -7.174 1.00 36.07 o

ATOM 1583 N GLY A 258 -55.795 -4.331 -5.281 1.00 34.86 N

ATOM 1584 CA GLY A 258 -56.832 -4.917 -4.412 1.00 33.45 C

ATOM 1585 C GLY A 258 -57.487 -3.833 -3.546 1.00 33.07 C

ATOM 1586 or GLY A 258 -58.355 -3.146 -4.063 1.00 32.82 o

ATOM 1587 N ASP A 259 -57.082 -3.723 -2.267 1.00 30.62 N

ATOM 1588 CA ASP A 259 -57.484 -2.716 -1.292 1.00 31.22 C

ATOM 1589 CB ASP A 259 -58.104 -3.312 -0.034 1.00 32.03 C

ATOM 1590 CG ASP A 259 -59.380 -4.004 -0.338 1.00 37.75 C

ATOM 1591 ODl ASP A 259 -60.230 -3.380 -1.047 1.00 41.19 o

ATOM 1592 OD2 ASP A 259 -59.508 -5.177 0.076 1.00 42.91 o

ATOM 1593 C ASP A 259 -56.288 -1.910 -0.850 1.00 30.04 c

ATOM 1594 or ASP A 259 -55.165 -2.404 -0.884 1.00 27.81 o

ATOM 1595 N PHE A 260 -56.578 -0.646 -0.503 1.00 29.25 N

ATOM 1596 CA PHE A 260 -55.701 0.277 0.226 1.00 27.01 C

ATOM 1597 CB PHE A 260 -55.436 1.600 -0.518 1.00 27.73 c

ATOM 1598 CG PHE A 260 -54.650 2.619 0.328 1.00 30.63 c ATOM 1599 CD1 PHE A 260 -53.331 2.363 0.694 1.00 19.14 C

ATOM 1600 CE1 PHE A 260 -52.629 3.246 1.470 1.00 29.43 C

ATOM 1601 CZ PHE A 260 -53.216 4.435 1.911 1.00 27.66 C

ATOM 1602 CE2 PHE A 260 -54.545 4.718 1.579 1.00 26.22 C TOM 1603 CD2 PHE A 260 -55.274 3.803 0.803 1.00 26.84 C

ATOM 1604 C PHE A 260 -56.331 0.529 1.531 1.00 25.21 C

ATOM 1605 or PHE A 260 -57.484 0.902 1.616 1.00 27.48 0

ATOM 1606 N ILE A 261 -55.605 0.208 2.578 1.00 23.96 N

ATOM 1607 CA ILE A 261 -56.075 0.327 3.853 1.00 22.00 C

ATOM 1608 CB ILE A 261 -55.860 -1.008 4.696 1.00 22.19 C

ATOM 1609 CGI ILE A 261 -56.728 -2.206 4.216 1.00 23.29 C

ATOM 1610 CD1 ILE A 261 -56.076 -3.007 3.180 1.00 22.36 C

ATOM 1611 CG2 ILE A 261 -56.342 -0.784 6.021 1.00 12.30 C

ATOM 1612 C ILE A 261 -55.233 1.423 4.524 1.00 23.37 c

ATOM 1613 or ILE A 261 -53.967 1.369 4.534 1.00 22.84 o

ATOM 1614 N HIS A 262 -55.906 2.340 5.222 1.00 24.56 N

ATOM 1615 CA HIS A 262 -55.165 3.519 5.783 1.00 23.94 C

ATOM 1616 CB HIS A 262 -55.702 4.761 5.138 1.00 25.45 C

ATOM 1617 CG HIS A 262 -54.830 5.959 5.344 1.00 34.91 C

ATOM 1618 ND1 HIS A 262 -55.291 7.248 5.202 1.00 40.35 N

ATOM 1619 CE1 HIS A 262 -54.293 8.081 5.419 1.00 44.13 C TOM 1620 NE2 HIS A 262 -53.228 7.387 5.775 1.00 41.85 N

ATOM 1621 CD2 HIS A 262 -53.549 6.061 5.760 1.00 36.93 C

ATOM 1622 C HIS A 262 -55.354 3.556 7.227 1.00 20.36 C

ATOM 1623 or HIS A 262 -56.443 3.611 7.662 1.00 23.57 o

ATOM 1624 N THR A 263 -54.311 3.492 8.022 1.00 18.91 N

ATOM 1625 CA THR A 263 -54.431 3.464 9.415 1.00 20.31 C

ATOM 1626 CB THR A 263 -53.759 1.982 9.918 1.00 21.37 C

ATOM 1627 OGl THR A 263 -54.513 0.971 9.318 1.00 24.99 o

ATOM 1628 CG2 THR A 263 -53.822 1.859 11.268 1.00 16.15 C

ATOM 1629 C THR A 263 -53.631 4.550 10.112 1.00 20.43 C

ATOM 1630 or THR A 263 -52.479 4.712 9.706 1.00 22.53 o

ATOM 1631 N LEU A 264 -54.132 5.153 11.245 1.00 21.66 N

ATOM 1632 CA LEU A 264 -53.464 6.282 11.760 1.00 22.50 C

ATOM 1633 CB LEU A 264 -54.359 7.587 11.559 1.00 25.30 C

ATOM 1634 CG LEU A 264 -54.589 7.928 10.107 1.00 25.97 C

ATOM 1635 CD1 LEU A 264 -55.675 8.944 9.843 1.00 29.47 C

ATOM 1636 CD2 LEU A 264 -53.238 8.401 9.603 1.00 27.76 c

ATOM 1637 C LEU A 264 -53.196 6.072 13.145 1.00 22.41 c

ATOM 1638 or LEU A 264 -54.012 5.469 13.781 1.00 24.30 o

ATOM 1639 N GLY A 265 -52.090 6.616 13.686 1.00 21.09 N ATOM 1640 CA GLY A 265 -52.084 6.729 15.100 1.00 21.33 C

ATOM 1641 C GLY A 265 -52. 862 8. 058 15. 429 1.00 27.19 C

ATOM 1642 or GLY A 265 -54 .156 8.047 15.510 1.00 26.62 0

ATOM 1643 N ASP A 266 -52. 125 9. 196 15. 621 1.00 27.23 N

ATOM 1644 CA ASP A 266 -52. 761 10. 577 15. 944 1.00 26.22 C

ATOM 1645 CB ASP A 266 -51. 627 11. 539 16. 307 1.00 29.35 C

ATOM 1646 CG ASP A 266 -52. 086 12. 811 17. 132 1.00 29.11 C

ATOM 1647 ODl ASP A 266 -53. 216 13. 289 16. 963 1.00 23.97 o

ATOM 1648 OD2 ASP A 266 -51. 307 13. 221 18. 026 1.00 32.87 o

ATOM 1649 C ASP A 266 -53. 414 11. 115 14. 684 1.00 26.30 C

ATOM 1650 or ASP A 266 -52 .695 11 .606 13 .828 1.00 25.66 o

ATOM 1651 N ALA A 267 -54. 718 10. 834 14. 465 1.00 24.75 N

ATOM 1652 CA ALA A 267 -55. 418 11. 369 13. 358 1.00 26.25 C

ATOM 1653 CB ALA A 267 -56. 716 10. 563 12. 983 1.00 22.90 C

ATOM 1654 C ALA A 267 -55. 908 12. 804 13. 841 1.00 26.63 C TOM 1655 or ALA A 267 -56 .544 12 .935 14 .893 1.0C 26.40 o TOM 1656 N HIS A 268 -55. 666 13. 846 13. 046 1.00 28.38 N

ATOM 1657 CA HIS A 268 -55. 821 15. 220 13. 645 1.00 28.63 C

ATOM 1658 CB HIS A 268 -54. 623 15. 632 14. 492 1.00 28.58 C

ATOM 1659 CG HIS A 268 -53. 332 15. 759 13. 716 1.00 32.99 c

ATOM 1660 ND1 HIS A 268 -52. 402 14. 734 13. 618 1.00 30.35 N

ATOM 1661 CE1 HIS A 268 -51. 389 15. 120 12. 861 1.00 32.05 C

ATOM 1662 NE2 HIS A 268 -51. 619 16. 371 12. 471 1.00 37.56 N

ATOM 1663 CD2 HIS A 268 -52. 834 16. 784 12. 972 1.00 30.29 C

ATOM 1664 C HIS A 268 -56. 215 16. 206 12. 640 1.00 29.38 C

ATOM 1665 or HIS A 268 -55 .979 16 .027 11 .429 1.0C 28.07 o

ATOM 1666 N ILE A 269 -56. 989 17. 185 13. 181 1.00 32.41 N

ATOM 1667 CA ILE A 269 -57. 461 18. 373 12. 463 1.00 32.87 C

ATOM 1668 CB ILE A 269 -59. 023 18. 447 12. 350 1.00 35.31 C

ATOM 1669 CGI ILE A 269 -59. 569 17. 158 11. 708 1.00 30.88 C

ATOM 1670 CD1 ILE A 269 -61. 163 17. 027 11. 564 1.00 30.22 C TOM 1671 CG2 ILE A 269 -59. 464 19. 730 11. 451 1.00 35.09 C

ATOM 1672 C ILE A 269 -56. 836 19. 624 13. 146 1.00 32.54 C

ATOM 1673 or ILE A 269 -56 .917 IS .825 14 .368 1.0C 31.66 o

ATOM 1674 N TYR A 270 -56. 121 20. 394 12. 333 1.00 33.38 N

ATOM 1675 CA TYR A 270 -55. 568 21. 707 12. 736 1.00 35.10 C

ATOM 1676 CB TYR A 270 -54. 673 22. 237 11. 596 1.00 34.28 C

ATOM 1677 CG TYR A 270 -53. 340 21. 631 11. 819 1.00 33.98 C

ATOM 1678 CD1 TYR A 270 -52. 889 20. 502 11. 063 1.00 33.80 C

ATOM 1679 CE1 TYR A 270 -51. 643 19. 855 11. 388 1.00 28.17 C

ATOM 1680 CZ TYR A 270 -50. 919 20. 327 12. 467 1.00 35.60 C ATOM 1681 OH TYR A 270 -49.720 19.742 12.884 1.00 38.84 o

ATOM 1682 CE2 TYR A 270 -51.399 21.403 13.264 1.00 34.51 C

ATOM 1683 CD2 TYR A 270 -52.616 22.014 12.937 1.00 32.90 c

ATOM 1684 C TYR A 270 -56.736 22.640 13.034 1.00 33.41 c

ATOM 1685 or TYR A 270 -57.644 22.624 12.275 1.00 31.60 o

ATOM 1686 N LEU A 271 -56.754 23.361 14.158 1.00 36.04 N

ATOM 1687 CA LEU A 271 -57.926 24.350 14.427 1.00 37.77 C

ATOM 1688 CB LEU A 271 -57.662 25.224 15.614 1.00 38.00 C

ATOM 1689 CG LEU A 271 -57.326 24.318 16.785 1.00 35.75 C

ATOM 1690 CD1 LEU A 271 -57.250 25.084 18.060 1.00 39.20 c

ATOM 1691 CD2 LEU A 271 -58.250 23.020 16.896 1.00 31.75 c

ATOM 1692 C LEU A 271 -58.379 25.170 13.250 1.00 39.76 c

ATOM 1693 or LEU A 271 -59.581 25.237 12.974 1.00 42.52 o

ATOM 1694 N ASN A 272 -57.427 25.641 12.438 1.00 41.25 N

ATOM 1695 CA ASN A 272 -57.779 26.409 11.276 1.00 42.69 C

ATOM 1696 CB ASN A 272 -56.593 27.256 10.768 1.00 45.91 C

ATOM 1697 CG ASN A 272 -55.239 26.515 10.814 1.00 54.65 C

ATOM 1698 ODl ASN A 272 -54.871 25.848 11.836 1.00 58.41 o

ATOM 1699 ND2 ASN A 272 -54.456 26.660 9.702 1.00 61.05 N

ATOM 1700 C ASN A 272 -58.420 25.709 10.132 1.00 42.05 C

ATOM 1701 or ASN A 272 -58.785 26.374 9.108 1.00 40.94 o

ATOM 1702 N HIS A 273 -58.569 24.377 10.224 1.00 39.74 N

ATOM 1703 CA HIS A 273 -59.169 23.652 9.091 1.00 37.80 C

ATOM 1704 CB HIS A 273 -58.417 22.369 8.729 1.00 38.64 C

ATOM 1705 CG HIS A 273 -57.004 22.582 8.278 1.00 44.07 C

ATOM 1706 ND1 HIS A 273 -56.084 21.543 8.203 1.00 43.09 N

ATOM 1707 CE1 HIS A 273 -54.918 22.044 7.817 1.00 52.36 C

ATOM 1708 NE2 HIS A 273 -55.048 23.354 7.628 1.00 49.22 N

ATOM 1709 CD2 HIS A 273 -56.344 23.713 7.903 1.00 45.66 C

ATOM 1710 C HIS A 273 -60.593 23.275 9.361 1.00 35.33 C

ATOM 1711 or HIS A 273 -61.223 22.757 8.479 1.00 37.26 o

ATOM 1712 N ILE A 274 -61.081 23.525 10.564 1.00 35.95 N

ATOM 1713 CA ILE A 274 -62.417 23.079 11.072 1.00 36.30 C

ATOM 1714 CB ILE A 274 -62.512 23.459 12.582 1.00 37.11 C

ATOM 1715 CGI ILE A 274 -61.476 22.694 13.389 1.00 32.75 C

ATOM 1716 CD1 ILE A 274 -61.472 23.004 15.011 1.00 32.38 C

ATOM 1717 CG2 ILE A 274 -63.941 23.306 13.215 1.00 37.48 C

ATOM 1718 C ILE A 274 -63.541 23.627 10.158 1.00 38.05 C

ATOM 1719 or ILE A 274 -64.388 22.854 9.591 1.00 38.96 o

ATOM 1720 N GLU A 275 -63.428 24.927 9.822 1.00 38.27 N

ATOM 1721 CA GLU A 275 -64.478 25.619 9.086 1.00 37.13 C ATOM 1722 CB GLU A 275 -64.334 27.224 9.150 1.00 39.45 C

ATOM 1723 CG GLU A 275 -64.855 27.813 10.510 1.00 43.52 C

ATOM 1724 CD GLU A 275 -66.233 27.173 10.922 1.00 46.86 C

ATOM 1725 OEl GLU A 275 -67.063 26.943 9.999 1.00 49.56 0

ATOM 1726 OE2 GLU A 275 -66.470 26.855 12.119 1.00 48.30 o

ATOM 1727 C GLU A 275 -64.498 25.149 7.726 1.00 34.62 C

ATOM 1728 or GLU A 275 -65.578 24.816 7.220 1.00 37.20 o

ATOM 1729 N PRO A 276 -63.326 25.158 7.036 1.00 33.38 N

ATOM 1730 CA PRO A 276 -63.411 24.594 5.685 1.00 32.60 C

ATOM 1731 CB PRO A 276 -61.974 24.833 5.114 1.00 34.03 C

ATOM 1732 CG PRO A 276 -61.186 25.279 6.151 1.00 30.53 C

ATOM 1733 CD PRO A 276 -61.987 25.701 7.337 1.00 30.84 C

ATOM 1734 C PRO A 276 -63.830 23.075 5.617 1.00 33.50 C

ATOM 1735 or PRO A 276 -64.476 22.673 4.645 1.00 34.32 o

ATOM 1736 N LEU A 277 -63.469 22.262 6.635 1.00 34.08 N

ATOM 1737 CA LEU A 277 -63.762 20.778 6.628 1.00 34.56 C

ATOM 1738 CB LEU A 277 -62.851 20.021 7.627 1.00 34.44 C

ATOM 1739 CG LEU A 277 -61.433 19.685 7.036 1.00 30.55 C

ATOM 1740 CD1 LEU A 277 -60.640 19.183 8.115 1.00 29.32 C

ATOM 1741 CD2 LEU A 277 -61.522 18.694 5.875 1.00 28.09 C

ATOM 1742 C LEU A 277 -65.232 20.583 6.921 1.00 35.80 C

ATOM 1743 or LEU A 277 -65.891 19.788 6.226 1.00 36.01 o

ATOM 1744 N LYS A 278 -65.752 21.406 7.858 1.00 36.97 N

ATOM 1745 CA LYS A 278 -67.251 21.558 8.076 1.00 38.77 C TOM 1746 CB LYS A 278 -67.541 22.596 9.135 1.00 39.01 C

ATOM 1747 CG LYS A 278 -67.415 22.132 10.515 1.00 40.62 C

ATOM 1748 CD LYS A 278 -67.778 23.301 11.409 1.00 47.62 C

ATOM 1749 CE LYS A 278 -67.812 22.879 12.914 1.00 54.04 C TOM 1750 NZ LYS A 278 -68.023 24.068 13.880 1.00 51.95 N

ATOM 1751 C LYS A 278 -68.058 21.807 6.810 1.00 38.90 C

ATOM 1752 or LYS A 278 -69.073 21.186 6.585 1.00 40.11 o

ATOM 1753 N ILE A 279 -67.532 22.592 5.877 1.00 39.52 N

ATOM 1754 CA ILE A 279 -68.216 22.777 4.597 1.00 39.39 C

ATOM 1755 CB ILE A 279 -67.705 24.134 3.871 1.00 39.48 C

ATOM 1756 CGI ILE A 279 -68.100 25.416 4.634 1.00 42.80 c

ATOM 1757 CD1 ILE A 279 -67.043 26.591 4.399 1.00 41.61 c

ATOM 1758 CG2 ILE A 279 -68.099 24.187 2.396 1.00 39.47 c

ATOM 1759 C ILE A 279 -67.970 21.626 3.669 1.00 39.24 c

ATOM 1760 or ILE A 279 -68.859 21.205 2.942 1.00 38.10 o

ATOM 1761 N GLN A 280 -66.702 21.160 3.582 1.00 40.30 N

ATOM 1762 CA GLN A 280 -66.408 19.945 2.796 1.00 40.48 c ATOM 1763 CB GLN A 280 -64.964 19.497 3.005 1.00 39.69 C

ATOM 1764 CG GLN A 280 -64. 681 18. 278 2. 169 1 .00 36. 88 C

ATOM 1765 CD GLN A 280 -63. 167 18. 019 2. 038 1 .00 35. 58 C

ATOM 1766 OE1 GLN A 280 -62. 342 18. 661 2. 682 1 .00 35. 88 O

ATOM 1767 NE2 GLN A 280 -62. 836 17. 025 1. 284 1 .00 29. 08 N

ATOM 1768 C GLN A 280 -67. 353 18. 725 3. 190 1 .00 40. 16 C

ATOM 1769 or GLN A 280 -61 '.819 17 '.998 2 1.297 1.00 36 1.01 O

ATOM 1770 N LEU A 281 -67. 616 18. 572 4. 500 1 .00 40. 79 N

ATOM 1771 CA LEU A 281 -68. 525 17. 519 5. 024 1 .00 44. 13 C

ATOM 1772 CB LEU A 281 -68. 749 17. 611 6. 528 1 .00 43. 32 C

ATOM 1773 CG LEU A 281 -67. 715 17. 062 7. 500 1 .00 47. 60 C

ATOM 1774 CD1 LEU A 281 -68. 218 17. 274 8. 949 1 .00 47. 47 C

ATOM 1775 CD2 LEU A 281 -67. 383 15. 589 7. 205 1 .00 42. 11 C

ATOM 1776 C LEU A 281 -69. 917 17. 567 4. 411 1 .00 47. 06 C

ATOM 1777 or LEU A 281 -7C 1.632 16 1.532 4 .410 1.0C 1 47 '.24 O

ATOM 1778 N GLN A 282 -70. 326 18. 742 3. 874 1 .00 47. 67 N

ATOM 1779 CA GLN A 282 -71. 701 18. 817 3. 422 1 .00 48. 14 C

ATOM 1780 CB GLN A 282 -72. 396 20. 096 3. 917 1 .00 49. 29 C

ATOM 1781 CG GLN A 282 -72. 451 20. 118 5. 518 1 .00 52. 98 C

ATOM 1782 CD GLN A 282 -73. 004 18. 780 6. 276 1 .00 61. 13 C

ATOM 1783 OE1 GLN A 282 -73. 821 17. 976 5. 726 1 .00 64. 82 O

ATOM 1784 NE2 GLN A 282 -72. 561 18. 590 7. 548 1 .00 55. 19 N

ATOM 1785 C GLN A 282 -71. 799 18. 519 1. 973 1 .00 46. 72 C

ATOM 1786 or GLN A 282 -72 1.877 18 .531 1 .423 1.0C 1 48i.Ol O

ATOM 1787 N ARG A 283 -70. 669 18. 191 1. 338 1 .00 45. 60 N

ATOM 1788 CA ARG A 283 -70. 691 17. 854 -0. 082 1 .00 43. 49 C

ATOM 1789 CB ARG A 283 -69. 497 18. 444 -0. 789 1 .00 44. 32 C

ATOM 1790 CG ARG A 283 -69. 067 19. 892 -0. 378 1 .00 43. 29 C

ATOM 1791 CD ARG A 283 -67. 772 20. 217 -1. 141 1 .00 43. 67 c

ATOM 1792 NE ARG A 283 -67. 443 21. 646 -1. 174 1 .00 47. 66 N

ATOM 1793 CZ ARG A 283 -66. 396 22. 181 -1. 812 1 .00 47. 70 C

ATOM 1794 NH1 ARG A 283 -66. 213 23. 517 -1. 767 1 .00 43. 56 N

ATOM 1795 NH2 ARG A 283 -65. 517 21. 400 -2. 466 1 .00 38. 48 N

ATOM 1796 C ARG A 283 -70. 780 16. 339 -0. 307 1 .00 45. 23 C

ATOM 1797 or ARG A 283 -70 1.273 15.525 0 1.499 1.00 1 43i.66 O

ATOM 1798 N GLU A 284 -71. 416 15. 947 -1. 403 1 .00 46. 35 N

ATOM 1799 CA GLU A 284 -71. 703 14. 570 -1. 624 1 .00 48. 90 C

ATOM 1800 CB GLU A 284 -73. 055 14. 388 -2. 309 1 .00 48. 29 C

ATOM 1801 CG GLU A 284 -73. 863 13. 123 -1. 823 1 .00 55. 68 C

ATOM 1802 CD GLU A 284 -74. 943 12. 619 -2. 861 1 .00 57. 29 C

ATOM 1803 OE1 GLU A 284 -75. 256 11. 387 -2. 839 1 .00 66. 40 O ATOM 1804 OE2 GLU A 284 -75.472 13.441 -3.689 1.00 65.72 o

ATOM 1805 C GLU A 284 -70.635 14.069 -2.546 1.00 46.60 C

ATOM 1806 or GLU A 284 -70.486 14.643 -3.631 1.00 46.15 o

ATOM 1807 N PRO A 285 -69.898 12.984 -2.149 1.00 46.00 N

ATOM 1808 CA PRO A 285 -68.935 12.364 -3.083 1.00 44.21 C

ATOM 1809 CB PRO A 285 -68.505 11.081 -2.332 1.00 44.03 C

ATOM 1810 CG PRO A 285 -68.574 11.469 -0.874 1.00 44.85 C

ATOM 1811 CD PRO A 285 -69.865 12.323 -0.813 1.00 45.67 C

ATOM 1812 C PRO A 285 -69.544 12.061 -4.464 1.00 44.13 C

ATOM 1813 or PRO A 285 -70.725 11.795 -4.542 1.00 44.98 o

ATOM 1814 N ARG A 286 -68.746 12.125 -5.535 1.00 43.99 N

ATOM 1815 CA ARG A 286 -69.096 11.706 -6.875 1.00 44.46 C

ATOM 1816 CB ARG A 286 -68.509 12.670 -7.943 1.00 45.98 C

ATOM 1817 CG ARG A 286 -69.257 13.957 -8.341 1.00 49.28 C

ATOM 1818 CD ARG A 286 -68.993 15.047 -7.325 1.00 53.15 C

ATOM 1819 NE ARG A 286 -69.988 16.119 -7.360 1.00 57.91 N

ATOM 1820 CZ ARG A 286 -69.899 17.218 -8.101 1.00 59.92 C

ATOM 1821 NHl ARG A 286 -70.838 18.144 -8.014 1.00 65.90 N

ATOM 1822 NH2 ARG A 286 -68.882 17.408 -8.915 1.00 59.77 N

ATOM 1823 C ARG A 286 -68.324 10.405 -7.089 1.00 44.91 C

ATOM 1824 or ARG A 286 -67.265 10.234 -6.519 1.00 43.82 o

ATOM 1825 N PRO A 287 -68.825 9.499 -7.954 1.00 45.54 N

ATOM 1826 CA PRO A 287 -68.054 8.311 -8.259 1.00 45.13 C

ATOM 1827 CB PRO A 287 -68.647 7.891 -9.599 1.00 45.84 C

ATOM 1828 CG PRO A 287 -70.106 8.137 -9.367 1.00 46.26 C

ATOM 1829 CD PRO A 287 -70.098 9.508 -8.712 1.00 45.24 C

ATOM 1830 C PRO A 287 -66.543 8.598 -8.372 1.00 45.46 C

ATOM 1831 or PRO A 287 -66.120 9.641 -8.960 1.00 46.25 o

ATOM 1832 N PHE A 288 -65.723 7.724 -7.752 1.00 43.41 N

ATOM 1833 CA PHE A 288 -64.265 7.862 -7.845 1.00 39.64 C

ATOM 1834 CB PHE A 288 -63.594 6.732 -7.032 1.00 38.02 C

ATOM 1835 CG PHE A 288 -63.344 7.059 -5.623 1.00 34.48 C

ATOM 1836 CD1 PHE A 288 -62.807 8.281 -5.275 1.00 29.04 C

ATOM 1837 CE1 PHE A 288 -62.521 8.586 -3.971 1.00 24.99 C

ATOM 1838 CZ PHE A 288 -62.710 7.642 -2.938 1.00 30.02 C

ATOM 1839 CE2 PHE A 288 -63.247 6.393 -3.262 1.00 27.33 C

ATOM 1840 CD2 PHE A 288 -63.554 6.099 -4.612 1.00 30.75 C

ATOM 1841 C PHE A 288 -63.918 7.734 -9.326 1.00 37.39 c

ATOM 1842 or PHE A 288 -64.626 7.035 -10.070 1.00 39.03 o

ATOM 1843 N PRO A 289 -62.815 8.370 -9.768 1.00 36.12 N

ATOM 1844 CA PRO A 289 -62.344 8.146 - 11.125 1.00 37.51 C ATOM 1845 CB PRO A 289 -61.216 9.199 -11.278 1.00 36.68 C

ATOM 1846 CG PRO A 289 -60. 659 9.355 -9.921 1.00 33.86 C

ATOM 1847 CD PRO A 289 -61. 915 9.276 -9.018 1.00 34.79 C

ATOM 1848 C PRO A 289 -61. 735 6.699 -11.359 1.00 41.07 C

ATOM 1849 or PRO A 289 -61 .768 5.873 -10.479 1.00 39.96 O

ATOM 1850 N LYS A 290 -61. 194 6.458 -12.551 1.00 42.97 N

ATOM 1851 CA LYS A 290 -60. 344 5.331 -12.863 1.00 46.54 C

ATOM 1852 CB LYS A 290 -60. 931 4.564 -14.084 1.00 46.15 C

ATOM 1853 CG LYS A 290 -62. 335 4.049 -13.729 1.00 46.77 C

ATOM 1854 CD LYS A 290 -63. 017 3.213 -14.825 1.00 49.38 C

ATOM 1855 CE LYS A 290 -64. 244 2.462 -14.213 1.00 55.04 c

ATOM 1856 NZ LYS A 290 -64. 856 2.964 -12.841 1.00 56.87 N

ATOM 1857 C LYS A 290 -58. 895 5.815 -13.103 1.00 47.99 C

ATOM 1858 or LYS A 290 -58 .665 7.012 -13.407 1.00 49.57 O

ATOM 1859 N LEU A 291 -57. 912 4.943 -12.862 1.00 48.56 N

ATOM 1860 CA LEU A 291 -56. 523 5.203 -13.285 1.00 48.68 C

ATOM 1861 CB LEU A 291 -55. 541 5.182 -12.134 1.00 46.81 C

ATOM 1862 CG LEU A 291 -54. 053 5.224 -12.466 1.00 45.02 C

ATOM 1863 CD1 LEU A 291 -53. 589 6.592 -12.942 1.00 44.99 C

ATOM 1864 CD2 LEU A 291 -53. 329 4.849 -11.214 1.00 47.18 C

ATOM 1865 C LEU A 291 -56. 122 4.183 -14.349 1.00 49.79 C

ATOM 1866 or LEU A 291 -56 .374 3.001 -14.199 1.00 50.65 O

ATOM 1867 N ARG A 292 -55. 529 4.675 -15.429 1.00 51.39 N

ATOM 1868 CA ARG A 292 -55. 217 3.924 -16.641 1.00 51.96 C

ATOM 1869 CB ARG A 292 -55. 904 4.527 -17.901 1.00 53.52 C

ATOM 1870 CG ARG A 292 -57. 437 4.707 -17.875 1.00 58.20 C

ATOM 1871 CD ARG A 292 -58. 203 3.356 -17.886 1.00 67.46 C

ATOM 1872 NE ARG A 292 -59. 649 3.556 -18.096 1.00 74.91 N

ATOM 1873 CZ ARG A 292 -60. 606 2.617 -17.986 1.00 80.14 C

ATOM 1874 NHl ARG A 292 -61. 886 2.937 -18.210 1.00 80.49 N

ATOM 1875 NH2 ARG A 292 -60. 311 1.356 -17.651 1.00 82.40 N

ATOM 1876 C ARG A 292 -53. 757 4.156 -16.793 1.00 50.92 C

ATOM 1877 or ARG A 292 -53 .317 5.275 -16.714 1.00 48.72 O

ATOM 1878 N ILE A 293 -53. 019 3.066 -16.984 1.00 52.26 N

ATOM 1879 CA ILE A 293 -51. 555 3.081 -17.269 1.00 52.77 C

ATOM 1880 CB ILE A 293 -50. 741 2.007 -16.416 1.00 52.88 C

ATOM 1881 CGI ILE A 293 -50. 848 2.329 -14.902 1.00 52.54 C

ATOM 1882 CD1 ILE A 293 -50. 496 1.194 -13.876 1.00 50.05 C

ATOM 1883 CG2 ILE A 293 -49. 243 1.889 -16.887 1.00 50.67 C

ATOM 1884 C ILE A 293 -51. 517 2.824 -18.760 1.00 53.62 C

ATOM 1885 or ILE A 293 -52 .198 1.916 -19.241 1.00 53.59 O ATOM 1886 N LEU A 294 -50.791 3.665 -19.488 1.00 55.67 N

ATOM 1887 CA LEU A 294 -50.943 3.777 -20.974 1.00 58.10 C

ATOM 1888 CB LEU A 294 -50.780 5.254 -21.437 1.00 57.38 C

ATOM 1889 CG LEU A 294 -51.751 6.257 -20.753 1.00 57.15 C

ATOM 1890 CD1 LEU A 294 -51.342 7.731 -21.017 1.00 57.75 C

ATOM 1891 CD2 LEU A 294 -53.186 5.999 -21.110 1.00 53.83 C

ATOM 1892 C LEU A 294 -50.050 2.843 -21.823 1.00 59.47 C

ATOM 1893 or LEU A 294 -50.281 2.685 -23.026 1.00 60.82 o

ATOM 1894 N ARG A 295 -49.076 2.214 -21.173 1.00 60.52 N

ATOM 1895 CA ARG A 295 -47.924 1.531 -21.775 1.00 60.90 C

ATOM 1896 CB ARG A 295 -46.725 2.422 -21.502 1.00 59.89 C

ATOM 1897 CG ARG A 295 -45.743 2.506 -22.529 1.00 59.21 C

ATOM 1898 CD ARG A 295 -44.313 2.359 -21.947 1.00 59.29 C

ATOM 1899 NE ARG A 295 -43.855 3.394 -21.030 1.00 57.09 N

ATOM 1900 CZ ARG A 295 -42.667 3.360 -20.407 1.00 59.63 C

ATOM 1901 NHl ARG A 295 -41.823 2.336 -20.624 1.00 62.20 N

ATOM 1902 NH2 ARG A 295 -42.299 4.320 -19.562 1.00 54.78 N

ATOM 1903 C ARG A 295 -47.748 0.236 -20.960 1.00 61.70 C

ATOM 1904 or ARG A 295 -48.228 0.152 -19.824 1.00 62.91 o

ATOM 1905 N LYS A 296 -47.047 -0.769 -21.476 1.00 61.68 N

ATOM 1906 CA LYS A 296 -46.704 -1.902 -20.622 1.00 60.90 C

ATOM 1907 CB LYS A 296 -46.595 -3.212 -21.402 1.00 61.33 C

ATOM 1908 CG LYS A 296 -47.342 -4.418 -20.764 1.00 66.90 C

ATOM 1909 CD LYS A 296 -46.996 -4.730 -19.246 1.00 71.52 C

ATOM 1910 CE LYS A 296 -46.008 -5.944 -19.060 1.00 74.74 C

ATOM 1911 NZ LYS A 296 -45.692 -6.278 -17.607 1.00 72.84 N

ATOM 1912 C LYS A 296 -45.372 -1.530 -20.031 1.00 59.41 C

ATOM 1913 or LYS A 296 -44.410 -1.413 -20.763 1.00 59.58 o

ATOM 1914 N VAL A 297 -45.310 -1.298 -18.721 1.00 57.86 N

ATOM 1915 CA VAL A 297 -44.048 -0.961 -18.091 1.00 56.79 C

ATOM 1916 CB VAL A 297 -44.153 0.342 -17.196 1.00 56.19 C

ATOM 1917 CGI VAL A 297 -42.815 0.723 -16.565 1.00 54.29 C

ATOM 1918 CG2 VAL A 297 -44.691 1.541 -18.025 1.00 57.35 C

ATOM 1919 C VAL A 297 -43.480 -2.211 -17.373 1.00 56.80 C

ATOM 1920 or VAL A 297 -44.226 -3.088 -16.921 1.00 56.89 o

ATOM 1921 N GLU A 298 -42.155 -2.272 -17.300 1.00 57.24 N

ATOM 1922 CA GLU A 298 -41.408 -3.485 -16.988 1.00 58.18 C

ATOM 1923 CB GLU A 298 -40.314 -3.730 -18.078 1.00 59.60 C

ATOM 1924 CG GLU A 298 -40.042 -5.223 -18.446 1.00 65.53 C

ATOM 1925 CD GLU A 298 -41.137 -5.875 -19.367 1.00 76.84 c

ATOM 1926 OEl GLU A 298 -42.163 -5.201 -19.740 1.00 80.29 o ATOM 1927 OE2 GLU A 298 -40.970 -7.085 -19.720 1.00 79.76 o

ATOM 1928 C GLU A 298 -40.773 -3.391 -15.615 1.00 56.21 C

ATOM 1929 or GLU A 298 -41.002 -4.263 -14.781 1.00 56.34 o

ATOM 1930 N LYS A 299 -39.957 -2.357 -15.415 1.00 54.13 N

ATOM 1931 CA LYS A 299 -39.340 -2.058 -14.146 1.00 53.61 C

ATOM 1932 CB LYS A 299 -37.829 -1.884 -14.342 1.00 54.53 C

ATOM 1933 CG LYS A 299 -37.059 -3.131 -14.763 1.00 56.90 C

ATOM 1934 CD LYS A 299 -35.574 -2.983 -14.360 1.00 59.68 C

ATOM 1935 CE LYS A 299 -34.696 -4.086 -15.037 1.00 65.68 c

ATOM 1936 NZ LYS A 299 -35.024 -4.312 -16.493 1.00 64.77 N

ATOM 1937 C LYS A 299 -39.911 -0.754 -13.493 1.00 52.80 C

ATOM 1938 or LYS A 299 -40.389 0.129 -14.188 1.00 52.13 o

ATOM 1939 N ILE A 300 -39.778 -0.616 -12.174 1.00 51.76 N

ATOM 1940 CA ILE A 300 -40.414 0.485 -11.448 1.00 51.31 C

ATOM 1941 CB ILE A 300 -40.467 0.234 -9.901 1.00 49.62 C

ATOM 1942 CGI ILE A 300 -41.444 1.172 -9.159 1.00 46.85 C

ATOM 1943 CD1 ILE A 300 -42.857 0.956 -9.315 1.00 39.55 C

ATOM 1944 CG2 ILE A 300 -39.064 0.401 -9.297 1.00 47.47 C

ATOM 1945 C ILE A 300 -39.734 1.854 -11.765 1.00 52.71 C

ATOM 1946 or ILE A 300 -40.378 2.899 -11.650 1.00 53.01 o

ATOM 1947 N ASP A 301 -38.456 1.839 -12.153 1.00 52.47 N

ATOM 1948 CA ASP A 301 -37.763 3.074 -12.484 1.00 52.24 C

ATOM 1949 CB ASP A 301 -36.245 2.926 -12.409 1.00 52.45 C

ATOM 1950 CG ASP A 301 -35.777 2.413 -11.082 1.00 54.62 C

ATOM 1951 ODl ASP A 301 -35.540 3.277 -10.192 1.00 55.00 o

ATOM 1952 OD2 ASP A 301 -35.610 1.145 -10.965 1.00 56.13 o

ATOM 1953 C ASP A 301 -38.136 3.626 -13.857 1.00 51.19 C

ATOM 1954 or ASP A 301 -37.840 4.777 -14.138 1.00 49.89 o

ATOM 1955 N ASP A 302 -38.796 2.808 -14.673 1.00 51.46 N

ATOM 1956 CA ASP A 302 -39.175 3.136 -16.051 1.00 52.59 C

ATOM 1957 CB ASP A 302 -39.394 1.875 -16.922 1.00 53.27 c

ATOM 1958 CG ASP A 302 -38.154 0.895 -17.034 1.00 56.56 c

ATOM 1959 ODl ASP A 302 -37.002 1.207 -16.577 1.00 57.71 o

ATOM 1960 OD2 ASP A 302 -38.406 -0.243 -17.615 1.00 57.92 o

ATOM 1961 C ASP A 302 -40.500 3.948 -16.207 1.00 52.70 c

ATOM 1962 or ASP A 302 -40.811 4.422 -17.341 1.00 53.91 o

ATOM 1963 N PHE A 303 -41.323 4.038 -15.152 1.00 51.18 N

ATOM 1964 CA PHE A 303 -42.596 4.817 -15.221 1.00 49.37 C

ATOM 1965 CB PHE A 303 -43.440 4.663 -13.948 1.00 46.66 C

ATOM 1966 CG PHE A 303 -44.239 3.395 -13.897 1.00 42.57 C

ATOM 1967 CD1 PHE A 303 -45.311 3.195 -14.739 1.00 38.52 c ATOM 1968 CE1 PHE A 303 -46.051 2.023 -14.672 1.00 34.71 C

ATOM 1969 CZ PHE A 303 -45.726 1.021 -13. 748 1.00 36. 20 C

ATOM 1970 CE2 PHE A 303 -44.643 1.190 -12. 929 1.00 33. 36 C

ATOM 1971 CD2 PHE A 303 -43.917 2.390 -12. 987 1.00 39. 67 C

ATOM 1972 C PHE A 303 -42.266 6.275 -15. 426 1.00 49. 25 C

ATOM 1973 or PHE A 303 -41.321 6.784 -14 .843 1.0C 4S .48 o

ATOM 1974 N LYS A 304 -43.025 6.934 -16. 272 1.00 50. 74 N

ATOM 1975 CA LYS A 304 -42.860 8.381 -16. 506 1.00 52. 14 C

ATOM 1976 CB LYS A 304 -42.491 8.674 -17. 971 1.00 52. 13 C

ATOM 1977 CG LYS A 304 -41.088 8.300 -18. 394 1.00 57. 05 C

ATOM 1978 CD LYS A 304 -41.034 8.295 -19. 945 1.00 63. 19 C

ATOM 1979 CE LYS A 304 -39.852 7.447 -20. 508 1.00 67. 89 c

ATOM 1980 NZ LYS A 304 -40.189 6.838 -21. 855 1.00 67. 73 N

ATOM 1981 C LYS A 304 -44.228 8.928 -16. 263 1.00 51. 54 C

ATOM 1982 or LYS A 304 -45.227 8.243 -ie .525 1.00 50.86 o

ATOM 1983 N ALA A 305 -44.289 10.184 -15. 865 1.00 52. 47 N

ATOM 1984 CA ALA A 305 -45.578 10.809 -15. 594 1.00 54. 56 C

ATOM 1985 CB ALA A 305 -45.403 12.310 -15. 281 1.00 53. 99 C

ATOM 1986 C ALA A 305 -46.635 10.541 -16. 702 1.00 55. 86 C

ATOM 1987 or ALA A 305 -47.828 10.330 -16 .408 1.00 55 .93 o

ATOM 1988 N GLU A 306 -46.201 10.468 -17. 971 1.00 56. 59 N

ATOM 1989 CA GLU A 306 -47.176 10.409 -19. 060 1.00 57. 24 C

ATOM 1990 CB GLU A 306 -46.626 10.912 -20. 390 1.00 58. 79 C

ATOM 1991 CG GLU A 306 -45.584 11.951 -20. 228 1.00 63. 16 C

ATOM 1992 CD GLU A 306 -44.244 11.329 -20. 080 1.00 69. 85 C

ATOM 1993 OEl GLU A 306 -43.985 10.338 -20. 861 1.00 72. 80 o

ATOM 1994 OE2 GLU A 306 -43.480 11.856 -19. 206 1.00 69. 42 o

ATOM 1995 C GLU A 306 -47.689 9.049 -19. 305 1.00 56. 08 C

ATOM 1996 or GLU A 306 -48.372 8.865 -20 .302 1.00 56 .69 o

ATOM 1997 N ASP A 307 -47.367 8.090 -18. 437 1.00 55. 17 N

ATOM 1998 CA ASP A 307 -47.849 6.728 -18. 650 1.00 54. 14 C

ATOM 1999 CB ASP A 307 -46.840 5.687 -18. 145 1.00 54. 81 C

ATOM 2000 CG ASP A 307 -45.548 5.675 -18. 947 1.00 55. 44 C

ATOM 2001 ODl ASP A 307 -45.601 5.796 -20. 208 1.00 54. 80 o

ATOM 2002 OD2 ASP A 307 -44.486 5.550 -18. 297 1.00 55. 69 o

ATOM 2003 C ASP A 307 -49.185 6.502 -17. 997 1.00 53. 51 C

ATOM 2004 or ASP A 307 -49.718 5.405 -18 .078 1.00 53 .28 o

ATOM 2005 N PHE A 308 -49.693 7.552 -17. 347 1.00 52. 64 N

ATOM 2006 CA PHE A 308 -50.854 7.514 -16. 483 1.00 51. 85 C

ATOM 2007 CB PHE A 308 -50.454 7.928 -15. 079 1.00 50. 96 c

ATOM 2008 CG PHE A 308 -49.483 7.013 -14. 432 1.00 48. 92 c ATOM 2009 CD1 PHE A 308 -48.098 7.344 -14.381 1.00 49.13 C

ATOM 2010 CE1 PHE A 308 -47.183 6. 500 -13.768 1. 00 47.56 C

ATOM 2011 cz PHE A 308 -47.641 5. 337 -13.201 1. 00 44.17 C

ATOM 2012 CE2 PHE A 308 -48.996 5. 032 -13.225 1. 00 47.61 C

ATOM 2013 CD2 PHE A 308 -49.918 5. 853 -13.852 1. 00 44.56 C

ATOM 2014 C PHE A 308 -51.905 8. 506 -16.895 1. 00 52.45 C

ATOM 2015 or PHE A 308 -51.620 c 1.634 -17.247 1 ..oc 1 52.29 o

ATOM 2016 N GLN A 309 -53.147 8. 099 -16.798 1. 00 53.29 N

ATOM 2017 CA GLN A 309 -54.184 9. 004 -17.090 1. 00 54.55 C

ATOM 2018 CB GLN A 309 -54.631 8. 705 -18.504 1. 00 55.46 C

ATOM 2019 CG GLN A 309 -55.756 9. 541 -18.952 1. 00 59.31 C

ATOM 2020 CD GLN A 309 -55.773 9. 518 -20.397 1. 00 68.64 C

ATOM 2021 OEl GLN A 309 -55.528 10. 543 -21.025 1. 00 72.47 o

ATOM 2022 NE2 GLN A 309 -55.981 8. 316 -20.984 1. 00 71.16 N

ATOM 2023 C GLN A 309 -55.355 8. 838 -16.141 1. 00 53.68 C

ATOM 2024 or GLN A 309 -55.954 7 .779 -16.103 1 ..00 1 53.37 o

ATOM 2025 N ILE A 310 -55.693 9. 879 -15.382 1. 00 53.39 N

ATOM 2026 CA ILE A 310 -56.924 9. 848 -14.547 1. 00 53.05 C

ATOM 2027 CB ILE A 310 -56.830 10. 833 -13.365 1. 00 53.21 C

ATOM 2028 CGI ILE A 310 -55.892 10. 315 -12.271 1. 00 52.30 C

ATOM 2029 CD1 ILE A 310 -56.420 9. 122 -11.383 1. 00 49.92 C

ATOM 2030 CG2 ILE A 310 -58.190 11. 202 -12.822 1. 00 52.69 C

ATOM 2031 C ILE A 310 -58.147 10. 134 -15.432 1. 00 53.70 C

ATOM 2032 or ILE A 310 -58.093 11 .010 -16.288 1 .00i 53.68 o

ATOM 2033 N GLU A 311 -59.233 9. 389 -15.237 1. 00 53.79 N

ATOM 2034 CA GLU A 311 -60.345 9. 323 -16.176 1. 00 54.26 C

ATOM 2035 CB GLU A 311 -60.322 7. 968 -16.847 1. 00 55.59 C

ATOM 2036 CG GLU A 311 -61.226 7. 811 -18.047 1. 00 62.68 C

ATOM 2037 CD GLU A 311 -61.618 6. 337 -18.295 1. 00 70.02 c

ATOM 2038 OEl GLU A 311 -62.789 5. 966 -17.935 1. 00 70.52 o

ATOM 2039 OE2 GLU A 311 -60.753 5. 576 -18.836 1. 00 70.54 o

ATOM 2040 C GLU A 311 -61.632 9. 416 -15.393 1. 00 53.43 c

ATOM 2041 or GLU A 311 -61.802 8 .709 -14.408 1 .00i 54.67 o

ATOM 2042 N GLY A 312 -62.551 10. 299 -15.794 1. 00 51.73 N

ATOM 2043 CA GLY A 312 -63.792 10. 472 -15.043 1. 00 47.83 c

ATOM 2044 C GLY A 312 -63.589 11. 200 -13.737 1. 00 45.82 c

ATOM 2045 or GLY A 312 -64.370 11 .008 -12.790 1 .00 1 45.18 o

ATOM 2046 N TYR A 313 -62.558 12. 048 -13.646 1. 00 44.27 N

ATOM 2047 CA TYR A 313 -62.416 12. 785 -12.394 1. 00 42.95 c

ATOM 2048 CB TYR A 313 -60.998 13. 199 -12.150 1. 00 37.97 c

ATOM 2049 CG TYR A 313 -60.751 13. 781 -10.759 1. 00 35.73 C ATOM 2050 CD1 TYR A 313 -61.309 13.198 -9.603 1.00 28.81 C

ATOM 2051 CE1 TYR A 313 -61.036 13.733 -8.290 1.00 29.14 C

ATOM 2052 CZ TYR A 313 -60.126 14.776 -8.176 1.00 30.16 C

ATOM 2053 OH TYR A 313 -59.827 15.275 -6.925 1.00 33.51 0

ATOM 2054 CE2 TYR A 313 -59.530 15.335 -9.295 1.00 23.19 C

ATOM 2055 CD2 TYR A 313 -59.836 14.867 -10.569 1.00 30.92 c

ATOM 2056 C TYR A 313 -63.333 14.044 -12.397 1.00 45.47 c

ATOM 2057 or TYR A 313 -63.207 14.891 -13.258 1.00 47.96 o

ATOM 2058 N ASN A 314 -64.173 14.219 -11.392 1.00 45.68 N

ATOM 2059 CA ASN A 314 -65.200 15.213 -11.473 1.00 45.17 C

ATOM 2060 CB ASN A 314 -66.374 14.517 -12.163 1.00 47.70 C

ATOM 2061 CG ASN A 314 -67.621 15.327 -12.154 1.00 56.02 C

ATOM 2062 ODl ASN A 314 -68.734 14.763 -12.090 1.00 61.09 o

ATOM 2063 ND2 ASN A 314 -67.470 16.673 -12.164 1.00 59.75 N

ATOM 2064 C ASN A 314 -65.461 15.790 -10.057 1.00 42.86 C

ATOM 2065 or ASN A 314 -66.532 15.606 -9.482 1.00 44.36 o

ATOM 2066 N PRO A 315 -64.419 16.422 -9.449 1.00 38.79 N

ATOM 2067 CA PRO A 315 -64.469 16.856 -8.092 1.00 39.50 C

ATOM 2068 CB PRO A 315 -62.979 17.062 -7.728 1.00 35.55 C

ATOM 2069 CG PRO A 315 -62.354 17.328 -8.918 1.00 34.16 C

ATOM 2070 CD PRO A 315 -63.092 16.683 -10.034 1.00 38.27 C TOM 2071 C PRO A 315 -65.283 18.147 -7.821 1.00 42.16 C

ATOM 2072 or PRO A 315 -65.629 18.877 -8.777 1.00 42.34 o

ATOM 2073 N HIS A 316 -65.579 18.371 -6.536 1.00 42.52 N

ATOM 2074 CA HIS A 316 -66.139 19.595 -6.051 1.00 44.93 C

ATOM 2075 CB HIS A 316 -66.655 19.440 -4.649 1.00 44.96 C

ATOM 2076 CG HIS A 316 -67.969 18.739 -4.593 1.00 48.42 c

ATOM 2077 ND1 HIS A 316 -69.167 19.402 -4.710 1.00 50.82 N

ATOM 2078 CE1 HIS A 316 -70.157 18.537 -4.614 1.00 51.86 C

ATOM 2079 NE2 HIS A 316 -69.645 17.330 -4.479 1.00 55.93 N

ATOM 2080 CD2 HIS A 316 -68.276 17.425 -4.469 1.00 53.50 C

ATOM 2081 C HIS A 316 -64.992 20.552 -6.078 1.00 46.17 C

ATOM 2082 or HIS A 316 -63.891 20.118 -6.370 1.00 46.46 o TOM 2083 N PRO A 317 -65.263 21.866 -5.897 1.00 45.68 N

ATOM 2084 CA PRO A 317 -64.148 22.823 -5.953 1.00 44.21 C

ATOM 2085 CB PRO A 317 -64.832 24.235 -5.916 1.00 43.08 C

ATOM 2086 CG PRO A 317 -66.255 23.963 -6.290 1.00 46.98 C

ATOM 2087 CD PRO A 317 -66.573 22.537 -5.755 1.00 46.52 C

ATOM 2088 C PRO A 317 -63.069 22.681 -4.868 1.00 42.41 c

ATOM 2089 or PRO A 317 -63.310 22.265 -3.732 1.00 42.96 o

ATOM 2090 N THR A 318 -61.883 23.124 -5.247 1.00 41.06 N ATOM 2091 CA THR A 318 -60.766 23.315 -4.375 1.00 38.85 C

ATOM 2092 CB THR A 318 -59. 665 24.184 -5.134 1.00 38. 68 C

ATOM 2093 OG1 THR A 318 -59. 292 23.508 -6.337 1.00 37. 98 O

ATOM 2094 CG2 THR A 318 -58. 457 24.457 -4.357 1.00 34. 75 C

ATOM 2095 C THR A 318 -61. 202 23.980 -3.107 1.00 40. 69 C

ATOM 2096 or THR A 318 -62 .024 24.965 -3.129 1.0C 40.46 O

ATOM 2097 N ILE A 319 -60. 646 23.453 -2.001 1.00 40. 17 N

ATOM 2098 CA ILE A 319 -60. 653 24.034 -0.711 1.00 41. 58 C

ATOM 2099 CB ILE A 319 -61. 200 23.097 0.294 1.00 40. 40 C

ATOM 2100 CGI ILE A 319 -62. 650 22.813 -0.051 1.00 42. 57 c

ATOM 2101 CD1 ILE A 319 -63. 252 21.797 0.822 1.00 43. 41 c

ATOM 2102 CG2 ILE A 319 -61. 079 23.676 1.673 1.00 35. 87 c

ATOM 2103 C ILE A 319 -59. 212 24.302 -0.385 1.00 45. 60 c

ATOM 2104 or ILE A 319 -56 .362 23.440 -0.567 1.00 4£ .70 0

ATOM 2105 N LYS A 320 -58. 900 25.513 0.040 1.00 48. 32 N

ATOM 2106 CA LYS A 320 -57. 558 25.825 0.503 1.00 50. 60 C

ATOM 2107 CB LYS A 320 -57. 179 27.231 0.090 1.00 49. 26 C

ATOM 2108 CG LYS A 320 -57. 292 27.304 -1.391 1.00 51. 14 c

ATOM 2109 CD LYS A 320 -56. 136 28.015 -2.036 1.00 59. 55 c

ATOM 2110 CE LYS A 320 -56. 030 27.608 -3.550 1.00 63. 71 c

ATOM 2111 NZ LYS A 320 -56. 946 28.281 -4.551 1.00 58. 13 N

ATOM 2112 C LYS A 320 -57. 590 25.738 1.978 1.00 52. 55 C

ATOM 2113 or LYS A 320 -58 .404 26.416 2.581 1.00 52 .92 O

ATOM 2114 N MET A 321 -56. 746 24.891 2.578 1.00 55. 71 N

ATOM 2115 CA MET A 321 -56. 687 24.809 4.048 1.00 57. 96 C

ATOM 2116 CB MET A 321 -56. 582 23.369 4.604 1.00 56. 15 C

ATOM 2117 CG MET A 321 -57. 370 22.258 3.905 1.00 54. 87 C

ATOM 2118 SD MET A 321 -58. 878 21.683 4.718 1.00 47. 97 S

ATOM 2119 CE MET A 321 -59. 595 20.894 3.314 1.00 40. 77 C

ATOM 2120 C MET A 321 -55. 477 25.644 4.488 1.00 61. 14 C

ATOM 2121 or MET A 321 -54 .350 25.480 3.966 1.00 61 .66 0

ATOM 2122 N GLU A 322 -55. 713 26.528 5.461 1.00 64. 95 N

ATOM 2123 CA GLU A 322 -54. 673 27.456 5.909 1.00 68. 59 C

ATOM 2124 CB GLU A 322 -53. 292 26.793 5.792 1.00 68. 81 C

ATOM 2125 CG GLU A 322 -52. 744 26.037 7.008 1.00 69. 98 c

ATOM 2126 CD GLU A 322 -51. 315 25.547 6.693 1.00 71. 29 c

ATOM 2127 OE1 GLU A 322 -51. 087 25.245 5.494 1.00 73. 37 0

ATOM 2128 OE2 GLU A 322 -50. 417 25.500 7.595 1.00 74. 26 0

ATOM 2129 C GLU A 322 -54. 696 28.781 5.073 1.00 69. 54 c

ATOM 2130 or GLU A 322 -55 .724 29.498 4.957 1.00 6S .68 o

ATOM 2131 N PRO B 38 -73. 717 0.308 26.426 1.00 64. 28 N ATOM 2132 CA PRO B 38 -72.396 0.335 25.741 1.00 63.94 C

ATOM 2133 CB PRO B 38 -71.465 1.040 26.777 1.00 64.60 C

ATOM 2134 CG PRO B 38 -72.148 0.783 28.200 1.00 64.85 C

ATOM 2135 CD PRO B 38 -73.581 0.197 27.902 1.00 65.25 C

ATOM 2136 C PRO B 38 -71.895 -1.098 25.430 1.00 62.26 C

ATOM 2137 or PRO B 38 -71.662 -1.886 26.385 1.00 62.90 o

ATOM 2138 N PRO B 39 -71.730 -1.447 24.121 1.00 60.18 N

ATOM 2139 CA PRO B 39 -71.467 -2.859 23.812 1.00 57.93 C

ATOM 2140 CB PRO B 39 -71.565 -2.934 22.276 1.00 57.97 C

ATOM 2141 CG PRO B 39 -71.295 -1.585 21.794 1.00 58.98 C

ATOM 2142 CD PRO B 39 -71.712 -0.612 22.902 1.00 60.13 C

ATOM 2143 C PRO B 39 -70.098 -3.336 24.374 1.00 55.78 C

ATOM 2144 or PRO B 39 -69.151 -2.544 24.554 1.00 55.29 o

ATOM 2145 N HIS Β 40 -70.050 -4.622 24.726 1.00 52.73 N

ATOM 2146 CA HIS B 40 -68.878 -5.259 25.322 1.00 48.10 C

ATOM 2147 CB HIS B 40 -69.295 -6.660 25.788 1.00 48.92 C

ATOM 2148 CG HIS B 40 -68.263 -7.344 26.612 1.00 46.87 C

ATOM 2149 ND1 HIS B 40 -67.018 -7.654 26.121 1.00 41.77 N

ATOM 2150 CE1 HIS B 40 -66.306 -8.241 27.065 1.00 44.43 C

ATOM 2151 NE2 HIS B 40 -67.046 -8.324 28.151 1.00 45.75 N

ATOM 2152 CD2 HIS B 40 -68.278 -7.762 27.896 1.00 47.02 C

ATOM 2153 C HIS B 40 -67.690 -5.290 24.324 1.00 45.33 C

ATOM 2154 or HIS B 40 -67.861 -5.601 23.142 1.00 44.88 o

ATOM 2155 N GLY B 41 -66.494 -4.909 24.770 1.00 42.06 N

ATOM 2156 CA GLY B 41 -65.370 -4.918 23.839 1.00 38.63 C TOM 2157 C GLY B 41 -64.980 -6.200 23.123 1.00 37.14 C

ATOM 2158 or GLY B 41 -64.457 -6.173 22.023 1.00 35.71 o

ATOM 2159 N GLU B 42 -65.175 -7.362 23.764 1.00 36.97 N TOM 2160 CA GLU B 42 -64.881 -8.662 23.078 1.00 33.29 C

ATOM 2161 CB GLU B 42 -65.033 -9.771 24.118 1.00 37.31 C

ATOM 2162 CG GLU B 42 -64.618 - -11.180 23.632 1.00 34.52 C TOM 2163 CD GLU B 42 -64.478 ^■ -12.109 24.806 1.00 30.94 C

ATOM 2164 OEl GLU B 42 -64.030 ^■ -13.229 24.512 1.00 35.83 o

ATOM 2165 OE2 GLU B 42 -64.719 -11.719 26.006 1.00 33.73 o TOM 2166 C GLU B 42 -65.773 -8.853 21.899 1.00 31.94 C

ATOM 2167 or GLU B 42 -65.403 -9.537 20.952 1.00 33.61 o

ATOM 2168 N LEU B 43 -66.918 -8.161 21.822 1.00 31.02 N

ATOM 2169 CA LEU B 43 -67.627 -8.211 20.516 1.00 32.49 C

ATOM 2170 CB LEU B 43 -68.976 -7.482 20.544 1.00 33.83 C

ATOM 2171 CG LEU B 43 -69.948 -8.000 21.647 1.00 34.64 c

ATOM 2172 CD1 LEU B 43 -71.187 -7.126 21.743 1.00' 38.02 c ATOM 2173 CD2 LEU B 43 -70.375 -9.391 21.311 1.00 32.85 C

ATOM 2174 C LEU B 43 -66.840 -7. 835 19.290 1.00 33.67 C

ATOM 2175 or LEU B 43 -67.005 -ε .402 18.173 1.00 36.23 o

ATOM 2176 N GLN B 44 -65.902 -6. 911 19.449 1.00 34.17 N

ATOM 2177 CA GLN B 44 -65.019 -6. 667 18.294 1.00 34.10 C

ATOM 2178 CB GLN B 44 -64.105 -5. 495 18.577 1.00 34.64 C

ATOM 2179 CG GLN B 44 -64.934 -4. 187 18.792 1.00 38.48 C

ATOM 2180 CD GLN B 44 -63.953 -3. 225 19.185 1.00 40.57 C

ATOM 2181 OEl GLN B 44 -63.388 -2. 474 18.282 1.00 38.17 o

ATOM 2182 NE2 GLN B 44 -63.478 -3. 414 20.433 1.00 29.88 N

ATOM 2183 C GLN B 44 -64.213 -7. 870 17.901 1.00 29.53 C

ATOM 2184 or GLN B 44 -64.182 -8 .190 16.752 1.00 30.43 o

ATOM 2185 N TYR B 45 -63.598 -8. 528 18.854 1.00 29.52 N

ATOM 2186 CA TYR B 45 -62.817 -9. 774 18.535 1.00 30.30 C

ATOM 2187 CB TYR B 45 -62.147 -10. 251 19.841 1.00 29.00 C

ATOM 2188 CG TYR B 45 -61.511 -11. 643 19.667 1.00 33.56 C

ATOM 2189 CD1 TYR B 45 -62.199 -12. 839 20.132 1.00 34.97 C

ATOM 2190 CE1 TYR B 45 -61.613 -14. 120 19.930 1.00 32.53 C

ATOM 2191 CZ TYR B 45 -60.390 -14. 226 19.224 1.00 32.90 C

ATOM 2192 OH TYR B 45 -59.789 -15. 479 19.049 1.00 30.36 o

ATOM 2193 CE2 TYR B 45 -59.701 -13. 038 18.716 1.00 29.47 C

ATOM 2194 CD2 TYR B 45 -60.277 -11. 795 18.942 1.00 36.00 c

ATOM 2195 C TYR B 45 -63.730 -10. 889 17.876 1.00 30.31 c

ATOM 2196 or TYR B 45 -63.444 -11 .465 16.795 1.00 31.00 o

ATOM 2197 N LEU B 46 -64.921 -11. 081 18.465 1.00 32.02 N

ATOM 2198 CA LEU B 46 -65.903 -12. 076 17.866 1.00 31.65 C

ATOM 2199 CB LEU B 46 -67.090 -12. 149 18.857 1.00 32.36 c

ATOM 2200 CG LEU B 46 -66.688 -12. 621 20.250 1.00 32.54 c

ATOM 2201 CD1 LEU B 46 -67.810 -12. 519 21.273 1.00 38.80 c

ATOM 2202 CD2 LEU B 46 -66.064 -14. 023 20.275 1.00 33.20 c

ATOM 2203 C LEU B 46 -66.317 -11. 726 16.469 1.00 31.10 c

ATOM 2204 or LEU B 46 -66.303 -12 .570 15.561 1.00 32.79 o

ATOM 2205 N GLY B 47 -66.601 -10. 424 16.190 1.00 32.63 N

ATOM 2206 CA GLY B 47 -66.999 -10. 060 14.808 1.00 28.73 C

ATOM 2207 C GLY B 47 -65.866 -10. 210 13.837 1.00 30.07 C

ATOM 2208 or GLY B 47 -66.014 -10 .473 12.615 1.00 32.24 o

ATOM 2209 N GLN B 48 -64.670 -10. 011 14.353 1.00 31.08 N

ATOM 2210 CA GLN B 48 -63.496 -10. 213 13.502 1.00 31.88 C

ATOM 2211 CB GLN B 48 -62.244 -9. 692 14.247 1.00 32.34 C

ATOM 2212 CG GLN B 48 -62.071 -8. 148 14.265 1.00 31.08 C

ATOM 2213 CD GLN B 48 -60.750 -7. 747 14.901 1.00 31.35 C ATOM 2214 OE1 GLN B 48 -60.247 -8.438 15.808 1.00 30.48 O

ATOM 2215 NE2 GLN B 48 -60.158 -6. 627 14.428 1.00 30. 95 N

ATOM 2216 C GLN B 48 -63.312 -11. 697 13.123 1.00 31. 05 C

ATOM 2217 or GLN B 48 -63.031 -11 .993 11.993 1.00 30.42 O

ATOM 2218 N ILE B 49 -63.433 -12. 612 14.109 1.00 33. 56 N

ATOM 2219 CA ILE B 49 -63.438 -14. 086 13.811 1.00 34. 42 C

ATOM 2220 CB ILE B 49 -63.667 -14. 922 15.128 1.00 35. 11 C

ATOM 2221 CGI ILE B 49 -62.548 -14. 709 16.136 1.00 32. 27 C

ATOM 2222 CD1 ILE B 49 -61.233 -15. 067 15.569 1.00 30. 63 C

ATOM 2223 CG2 ILE B 49 -63.784 -16. 444 14.770 1.00 35. 77 C

ATOM 2224 C ILE B 49 -64.544 -14. 438 12.778 1.00 32. 86 C

ATOM 2225 or ILE B 49 -64.314 -15 .025 11.683 1.0C 32 .62 O

ATOM 2226 N GLN B 50 -65.728 -13. 969 13.108 1.00 33. 93 N

ATOM 2227 CA GLN B 50 -66.891 -14. 140 12.236 1.00 37. 74 C

ATOM 2228 CB GLN B 50 -68.013 -13. 425 12.963 1.00 38. 21 C

ATOM 2229 CG GLN B 50 -69.381 -13. 416 12.329 1.00 45. 16 C

ATOM 2230 CD GLN B 50 -70.430 -12. 973 13.403 1.00 48. 17 C

ATOM 2231 OE1 GLN B 50 -70.094 -12. 391 14.498 1.00 57. 16 O

ATOM 2232 NE2 GLN B 50 -71.698 -13. 264 13.103 1.00 58. 84 N

ATOM 2233 C GLN B 50 -66.664 -13. 661 10.793 1.00 36. 95 C

ATOM 2234 or GLN B 50 -66.931 -14 .415 9.809 1.00 38 .81 O

ATOM 2235 N HIS B 51 -66.118 -12. 439 10.613 1.00 37. 20 N

ATOM 2236 CA HIS B 51 -65.748 -11. 921 9.242 1.00 34. 90 C

ATOM 2237 CB HIS B 51 -65.244 -10. 444 9.434 1.00 35. 98 C

ATOM 2238 CG HIS B 51 -64.879 -9. 742 8.159 1.00 33. 76 C

ATOM 2239 ND1 HIS B 51 -65.811 -9. 433 7.189 1.00 39. 73 N

ATOM 2240 CE1 HIS B 51 -65.211 -8. 839 6.164 1.00 37. 70 C

ATOM 2241 NE2 HIS B 51 -63.924 -8. 741 6.444 1.00 37. 80 N

ATOM 2242 CD2 HIS B 51 -63.692 -9. 277 7.694 1.00 35. 67 C

ATOM 2243 C HIS B 51 -64.686 -12. 744 8.495 1.00 34. 66 C

ATOM 2244 or HIS B 51 -64.712 -12 .934 7.249 1.00 33 .12 O

ATOM 2245 N ILE B 52 -63.673 -13. 213 9.227 1.00 34. 54 N

ATOM 2246 CA ILE B 52 -62.653 -14. 061 8.549 1.00 34. 34 C

ATOM 2247 CB ILE B 52 -61.300 -14. 282 9.412 1.00 33. 97 C

ATOM 2248 CGI ILE B 52 -60.620 -12. 919 9.717 1.00 32. 54 C

ATOM 2249 CD1 ILE B 52 -59.902 -12. 819 10.965 1.00 28. 76 C

ATOM 2250 CG2 ILE B 52 -60.314 -15. 107 8.558 1.00 29. 81 C

ATOM 2251 C ILE B 52 -63.306 -15. 410 8.126 1.00 35. 94 C

ATOM 2252 or ILE B 52 -63.060 -15 .932 7.014 1.00 34 .59 o

ATOM 2253 N LEU B 53 -64.134 -15. 960 9.001 1.00 37. 28 N

ATOM 2254 CA LEU B 53 -64.843 -17. 239 8.610 1.00 39. 49 C ATOM 2255 CB LEU B 53 -65.685 -17.743 9.786 1.00 38.20 C

ATOM 2256 CG LEU B 53 -64.741 -18.305 10.855 1.00 36.39 C

ATOM 2257 CD1 LEU B 53 -65.448 -18.717 12.122 1.00 35.40 C

ATOM 2258 CD2 LEU B 53 -63.872 -19.412 10.275 1.00 34.59 C

ATOM 2259 C LEU B 53 -65.616 -17.076 7.284 1.00 41.12 C

ATOM 2260 or LEU B 53 -65.333 -17.731 6.269 1.00 40.37 o

ATOM 2261 N ARG B 54 -66.496 -16.067 7.250 1.00 45.35 N

ATOM 2262 CA ARG B 54 -67.261 -15.665 6.038 1.00 44.83 C

ATOM 2263 CB ARG B 54 -68.265 -14.596 6.382 1.00 45.99 C

ATOM 2264 CG ARG B 54 -68.997 -14.787 7.675 1.00 52.47 C

ATOM 2265 CD ARG B 54 -70.397 -14.107 7.521 1.00 65.52 C

ATOM 2266 NE ARG B 54 -71.381 -14.586 8.506 1.00 71.31 N

ATOM 2267 CZ ARG B 54 -71.971 -13.814 9.429 1.00 75.18 C

ATOM 2268 NH1 ARG B 54 -71.692 -12.494 9.487 1.00 73.23 N

ATOM 2269 NH2 ARG B 54 -72.852 -1 .366 10.294 1.00 75.60 N

ATOM 2270 C ARG B 54 -66.474 -15.103 4.915 1.00 44.96 C

ATOM 2271 or ARG B 54 -66.742 -15.464 3.795 1.00 45.22 o

ATOM 2272 N CYS B 55 -65.547 -14.158 5.153 1.00 45.16 N

ATOM 2273 CA CYS B 55 -64.862 -13.566 4.014 1.00 44.88 C

ATOM 2274 CB CYS B 55 -64.999 -12.055 4.017 1.00 46.12 C

ATOM 2275 SG CYS B 55 -66.749 -11.505 4.242 1.00 47.56 S

ATOM 2276 C CYS B 55 -63.415 -13.926 3.832 1.00 44.72 C

ATOM 2277 or CYS B 55 -62.872 -13.603 2.793 1.00 44.88 o

ATOM 2278 N GLY B 56 -62.773 -14.575 4.804 1.00 43.68 N

ATOM 2279 CA GLY B 56 -61.371 -14.891 4.630 1.00 42.89 C

ATOM 2280 C GLY B 56 -61.112 -15.667 3.350 1.00 43.31 c

ATOM 2281 or GLY B 56 -61.895 -16.479 2.906 1.00 44.68 o

ATOM 2282 N VAL B 57 -59.983 -15.438 2.757 1.00 42.86 N

ATOM 2283 CA VAL B 57 -59.563 -16.133 1.598 1.00 42.47 C

ATOM 2284 CB VAL B 57 -59.079 -15.042 0.585 1.00 43.86 C

ATOM 2285 CGI VAL B 57 -57.904 -15.441 -0.231 1.00 43.14 C

ATOM 2286 CG2 VAL B 57 -60.275 -14.626 -0.333 1.00 44.63 C

ATOM 2287 C VAL B 57 -58.478 -17.131 2.102 1.00 42.21 c

ATOM 2288 or VAL B 57 -57.836 -16.926 3.179 1.00 39.64 o

ATOM 2289 N ARG B 58 -58.297 -18.207 1.331 1.00 41.69 N

ATOM 2290 CA ARG B 58 -57.335 -19.281 1.635 1.00 41.58 C

ATOM 2291 CB ARG B 58 -57.612 -20.512 0.728 1.00 41.66 c

ATOM 2292 CG ARG B 58 -58.572 -21.522 1.360 1.00 46.84 c

ATOM 2293 CD ARG B 58 -57.970 -22.118 2.710 1.00 58.24 c

ATOM 2294 NE ARG B 58 -56.715 -22.909 2.592 1.00 63.96 N

ATOM 2295 CZ ARG B 58 -56.667 -24.188 2.167 1.00 67.87 C ATOM 2296 NH1 ARG B 58 -57.771 -24.820 1.795 1.00 66.96 N

ATOM 2297 NH2 ARG B 58 -55.509 -24.854 2.109 1.00 71.57 N

ATOM 2298 C ARG B 58 -55.933 -18.815 1.364 1.00 38.99 C

ATOM 2299 or ARG B 58 -55.620 -18.473 0.231 1.00 37.63 o TOM 2300 N LYS B 59 -55.037 -18.904 2.341 1.00 36.99 N

ATOM 2301 CA LYS B 59 -53.660 -18.418 2.047 1.00 36.56 C

ATOM 2302 CB LYS B 59 -53.512 -16.877 2.453 1.00 35.41 C

ATOM 2303 CG LYS B 59 -52.128 -16.140 2.100 1.00 34.55 C

ATOM 2304 CD LYS B 59 -52.218 -14.577 2.286 1.00 33.06 C

ATOM 2305 CE LYS B 59 -50.907 -13.862 1.982 1.00 29.66 C

ATOM 2306 NZ LYS B 59 -50.204 -13.556 3.418 1.00 35.87 N

ATOM 2307 C LYS B 59 -52.738 -19.288 2.837 1.00 36.33 C

ATOM 2308 or LYS B 59 -53.066 -19.558 3.956 1.00 37.69 o

ATOM 2309 N ASP B 60 -51.593 -19.725 2.311 1.00 38.64 N

ATOM 2310 CA ASP B 60 -50.662 -20.528 3.212 1.00 41.54 C

ATOM 2311 CB ASP B 60 -49.734 -21.474 2.437 1.00 41.45 C

ATOM 2312 CG ASP B 60 -50.498 -22.496 1.615 1.00 46.50 C

ATOM 2313 ODl ASP B 60 -51.644 -22.881 2.027 1.00 46.14 o

ATOM 2314 OD2 ASP B 60 -49.956 -22.860 0.538 1.00 51.41 o

ATOM 2315 C ASP B 60 -49.732 -19.694 4.034 1.00 42.36 c

ATOM 2316 or ASP B 60 -49.236 -18.661 3.546 1.00 41.95 o

ATOM 2317 N ASP B 61 -49.434 -20.161 5.250 1.00 43.66 N

ATOM 2318 CA ASP B 61 -48.359 -19.556 6.029 1.00 44.48 C

ATOM 2319 CB ASP B 61 -48.499 -19.752 7.554 1.00 44.95 C

ATOM 2320 CG ASP B 61 -48.123 -21.207 7.998 1.00 44.59 C

ATOM 2321 ODl ASP B 61 -47.711 -21.928 7.094 1.00 43.43 o TOM 2322 OD2 ASP B 61 -48.227 -21.582 9.197 1.00 45.66 o

ATOM 2323 C ASP B 61 -47.030 -20.093 5.468 1.00 45.33 c

ATOM 2324 or ASP B 61 -47.035 -20.747 4.447 1.00 46.24 o

ATOM 2325 N ARG B 62 -45.930 -19.713 6.113 1.00 45.56 N

ATOM 2326 CA ARG B 62 -44.535 -20.074 5.819 1.00 48.47 C

ATOM 2327 CB ARG B 62 -43.755 -19.815 7.102 1.00 48.48 C

ATOM 2328 CG ARG B 62 -42.486 -19.229 6.852 1.00 51.13 c

ATOM 2329 CD ARG B 62 -41.958 -18.672 8.129 1.00 55.40 c

ATOM 2330 NE ARG B 62 -41.690 -19.742 9.059 1.00 62.72 N

ATOM 2331 CZ ARG B 62 -40.805 -20.725 8.842 1.00 64.61 c

ATOM 2332 NH1 ARG B 62 -40.080 -20.817 7.691 1.00 63.01 N

ATOM 2333 NH2 ARG B 62 -40.671 -21.631 9.793 1.00 64.05 N

ATOM 2334 C ARG B 62 -44.235 -21.554 5.573 1.00 49.41 c

ATOM 2335 or ARG B 62 -43.393 -21.903 4.729 1.00 49.07 o

ATOM 2336 N THR B 63 -44.883 -22.384 6.399 1.00 50.87 N ATOM 2337 CA THR B 63 -44.669 -23.818 6.431 1.00 51.68 C

ATOM 2338 CB THR B 63 -44.807 -24.359 7.865 1.00 51.26 C

ATOM 2339 OG1 THR B 63 -46.175 -24.275 8.291 1.00 49.74 O

ATOM 2340 CG2 THR B 63 -43.901 -23.598 8.845 1.00 50.71 C

ATOM 2341 C THR B 63 -45.666 -24.532 5.513 1.00 52.66 C

ATOM 2342 or THR B 63 -45.833 -25.734 5.652 1.00 55.05 O

ATOM 2343 N GLY B 64 -46.297 -23.819 4.567 1.00 52.33 N

ATOM 2344 CA GLY B 64 -47.371 -24.353 3.760 1.00 49.50 C

ATOM 2345 C GLY B 64 -48.647 -24.754 4.519 1.00 48.48 C

ATOM 2346 or GLY B 64 -49.502 -25.413 3.938 1.00 49.08 O

ATOM 2347 N THR B 65 -48.809 -24.411 5.794 1.00 46.64 N

ATOM 2348 CA THR B 65 -50.105 -24.668 6.485 1.00 45.71 C

ATOM 2349 CB THR B 65 -49.900 -24.670 7.946 1.00 45.89 C

ATOM 2350 OG1 THR B 65 -48.708 -25.415 8.248 1.00 50.70 O

ATOM 2351 CG2 THR B 65 -51.132 -25.111 8.720 1.00 44.99 C

ATOM 2352 C THR B 65 -51.180 -23.572 6.146 1.00 45.11 C

ATOM 2353 or THR B 65 -50.849 -22.383 5.912 1.00 44.29 O

ATOM 2354 N GLY B 66 -52.448 -23.974 6.175 1.00 42.71 N

ATOM 2355 CA GLY B 66 -53.511 -23.242 5.523 1.00 39.75 C

ATOM 2356 C GLY B 66 -54.257 -22.350 6.501 1.00 37.76 C

ATOM 2357 or GLY B 66 -54.525 -22.696 7.641 1.00 38.60 O

ATOM 2358 N THR B 67 -54.640 -21.176 6.054 1.00 37.05 N

ATOM 2359 CA THR B 67 -55.432 -20.273 6.921 1.00 33.56 C

ATOM 2360 CB THR B 67 -54.529 -19.003 7.357 1.00 35.08 C

ATOM 2361 OG1 THR B 67 -54.215 -18.266 6.135 1.00 33.15 O

ATOM 2362 CG2 THR B 67 -53.218 -19.487 8.007 1.00 24.65 C

ATOM 2363 C THR B 67 -56.508 -19.738 6.049 1.00 32.69 c

ATOM 2364 or THR B 67 -56.447 -19.744 4.806 1.00 30.96 O

ATOM 2365 N LEU B 68 -57.495 -19.244 6.750 1.00 33.76 N

ATOM 2366 CA LEU B 68 -58.447 -18.254 6.202 1.00 34.97 C

ATOM 2367 CB LEU B 68 -59.846 -18.466 6.897 1.00 34.10 C

ATOM 2368 CG LEU B 68 -60.622 -19.661 6.311 1.00 36.38 C

ATOM 2369 CD1 LEU B 68 -62.084 -19.597 6.755 1.00 34.59 c

ATOM 2370 CD2 LEU B 68 -60.505 -19.652 4.789 1.00 35.78 c

ATOM 2371 C LEU B 68 -57.888 -16.829 6.543 1.00 32.48 c

ATOM 2372 or LEU B 68 -57.709 -16.500 7.707 1.00 33.15 0

ATOM 2373 N SER B 69 -57.628 -16.038 5.531 1.00 32.58 N

ATOM 2374 CA SER B 69 -56.942 -14.723 5.658 1.00 32.77 C

ATOM 2375 CB SER B 69 -55.732 -14.671 4.757 1.00 32.50 C

ATOM 2376 OG SER B 69 -54.890 -13.603 5.134 1.00 35.03 O

ATOM 2377 C SER B 69 -57.781 -13.487 5.244 1.00 32.07 C ATOM 2378 or SER B 69 -58.302 -13.450 4.134 1.00 29.62 o

ATOM 2379 N VAL B 70 -57.776 -12.457 6.097 1.00 31.24 N

ATOM 2380 CA VAL B 70 -58.249 -11.057 5.696 1.00 30.70 C

ATOM 2381 CB VAL B 70 -59.461 -10.635 6.560 1.00 29.59 C

ATOM 2382 CGI VAL B 70 -59.774 -9.130 6.457 1.00 30.19 C

ATOM 2383 CG2 VAL B 70 -60.716 -11.405 6.079 1.00 34.21 C

ATOM 2384 C VAL B 70 -57.094 -10.071 5.927 1.00 29.53 C

ATOM 2385 or VAL B 70 -56.542 -10.132 6.989 1.00 29.86 o

ATOM 2386 N PHE B 71 -56.751 -9.207 4.965 1.00 28.94 N

ATOM 2387 CA PHE B 71 -55.727 -8.101 5.186 1.00 28.22 C

ATOM 2388 CB PHE B 71 -54.922 -7.877 3.897 1.00 26.33 C

ATOM 2389 CG PHE B 71 -53.722 -6.944 4.040 1.00 25.50 C

ATOM 2390 CD1 PHE B 71 -53.605 -5.792 3.205 1.00 24.03 C

ATOM 2391 CE1 PHE B 71 -52.486 -4.941 3.279 1.00 26.30 C

ATOM 2392 CZ PHE B 71 -51.450 -5.246 4.160 1.00 23.93 c

ATOM 2393 CE2 PHE B 71 -51.542 -6.349 4.985 1.00 26.68 c

ATOM 2394 CD2 PHE B 71 -52.686 -7.212 4.917 1.00 30.68 c TOM 2395 C PHE B 71 -56.334 -6.739 5.706 1.00 28.22 c

ATOM 2396 or PHE B 71 -57.231 -6.166 5.055 1.00 27.46 o

ATOM 2397 N GLY B 72 -55.907 -6.279 6.898 1.00 28.73 N

ATOM 2398 CA GLY B 72 -56.402 -4.981 7.428 1.00 26.67 C

ATOM 2399 C GLY B 72 -57.517 -5.014 8.407 1.00 26.78 C

ATOM 2400 or GLY B 72 -58.655 -5.078 8.018 1.00 26.68 o

ATOM 2401 N MET B 73 -57.243 -4.898 9.696 1.00 23.57 N

ATOM 2402 CA MET B 73 -58.340 -4.944 10.610 1.00 25.07 C

ATOM 2403 CB MET B 73 -58.508 -6.430 11.176 1.00 26.70 C

ATOM 2404 CG MET B 73 -59.012 -7.463 10.109 1.00 32.91 C

ATOM 2405 SD MET B 73 -59.708 -8.922 10.994 1.00 36.24 S

ATOM 2406 CE MET B 73 -61.396 -8.977 10.279 1.00 32.30 C

ATOM 2407 C MET B 73 -57.949 -4.085 11.773 1.00 20.06 C

ATOM 2408 or MET B 73 -56.811 -3.803 11.934 1.00 19.89 o

ATOM 2409 N GLN B 74 -58.889 -3.690 12.611 1.00 19.77 N

ATOM 2410 CA GLN B 74 -58.540 -2.985 13.771 1.00 20.36 C

ATOM 2411 CB GLN B 74 -58.457 -1.390 13.379 1.00 17.85 C TOM 2412 CG GLN B 74 -58.175 -0.580 14.552 1.00 18.48 C

ATOM 2413 CD GLN B 74 -57.875 1.000 14.035 1.00 25.40 C

ATOM 2414 OEl GLN B 74 -58.729 1.833 14.141 1.00 25.85 o

ATOM 2415 NE2 GLN B 74 -56.723 1.253 13.486 1.00 17.07 N

ATOM 2416 C GLN B 74 -59.624 -3.109 14.744 1.00 19.80 C

ATOM 2417 or GLN B 74 -60.709 -3.021 14.338 1.00 22.94 o

ATOM 2418 N ALA B 75 -59.329 -3.111 16.040 1.00 21.07 N ATOM 2419 CA ALA B 75 -60.316 -3.166 17.081 1.00 23.51 C

ATOM 2420 CB ALA B 75 -60.328 -4.646 17.792 1.00 19.73 C

ATOM 2421 C ALA B 75 -59.804 -2.180 18.179 1.00 24.21 C

ATOM 2422 or ALA B 75 -58.618 -2.128 18.368 1.00 23.86 o

ATOM 2423 N ARG B 76 -60.711 -1.586 18.950 1.00 26.40 N

ATOM 2424 CA ARG B 76 -60.435 -0.733 20.091 1.00 29.22 C

ATOM 2425 CB ARG B 76 -61.095 0.722 19.837 1.00 29.33 C

ATOM 2426 CG ARG B 76 -60.774 1.821 20.937 1.00 29.27 C

ATOM 2427 CD ARG B 76 -61.465 3.360 20.747 1.00 30.43 C

ATOM 2428 NE ARG B 76 -60.994 3.844 19.496 1.00 32.50 N

ATOM 2429 CZ ARG B 76 -59.865 4.514 19.274 1.00 28.37 C

ATOM 2430 NH1 ARG B 76 -59.446 4.661 18.022 1.00 29.98 N

ATOM 2431 NH2 ARG B 76 -59.218 5.073 20.235 1.00 28.54 N

ATOM 2432 C ARG B 76 -60.963 -1.342 21.380 1.00 29.19 C

ATOM 2433 or ARG B 76 -62.101 -1.738 21.427 1.00 32.02 o

ATOM 2434 N TYR B 77 -60.176 -1.386 22.425 1.00 29.06 N

ATOM 2435 CA TYR B 77 -60.581 -1.953 23.698 1.00 30.61 C

ATOM 2436 CB TYR B 77 -59.745 -3.279 24.077 1.00 30.31 C

ATOM 2437 CG TYR B 77 -59.894 -4.365 23.013 1.00 29.00 C

ATOM 2438 CD1 TYR B 77 -60.985 -5.320 23.080 1.00 30.08 C

ATOM 2439 CE1 TYR B 77 -61.218 -6.310 22.028 1.00 27.74 C

ATOM 2440 CZ TYR B 77 -60.349 -6.407 21.055 1.00 27.13 C

ATOM 2441 OH TYR B 77 -60.546 -7.346 20.036 1.00 36.09 o

ATOM 2442 CE2 TYR B 77 -59.181 -5.470 20.986 1.00 32.33 C

ATOM 2443 CD2 TYR B 77 -58.997 -4.481 21.983 1.00 26.76 C

ATOM 2444 C TYR B 77 -60.293 -0.813 24.716 1.00 33.03 C

ATOM 2445 or TYR B 77 -59.145 -0.357 24.826 1.00 33.93 o

ATOM 2446 N SER B 78 -61.316 -0.379 25.462 1.00 33.80 N

ATOM 2447 CA SER B 78 -61.117 0.510 26.541 1.00 35.21 C

ATOM 2448 CB SER B 78 -62.469 1.101 27.020 1.00 34.31 C

ATOM 2449 OG SER B 78 -62.263 1.724 28.247 1.00 36.36 o

ATOM 2450 C SER B 78 -60.379 -0.156 27.646 1.00 36.01 C

ATOM 2451 or SER B 78 -60.606 -1.340 27.923 1.00 39.12 o

ATOM 2452 N LEU B 79 -59.482 0.590 28.287 1.00 35.29 N

ATOM 2453 CA LEU B 79 -58.726 0.122 29.433 1.00 34.36 C

ATOM 2454 CB LEU B 79 -57.229 0.397 29.225 1.00 33.43 C

ATOM 2455 CG LEU B 79 -56.493 -0.183 28.021 1.00 30.33 C

ATOM 2456 CD1 LEU B 79 -54.954 0.138 28.034 1.00 25.14 C

ATOM 2457 CD2 LEU B 79 -56.703 -1.762 27.948 1.00 29.27 C

ATOM 2458 C LEU B 79 -59.185 0.902 30.652 1.00 35.95 C

ATOM 2459 or LEU B 79 -58.519 0.891 31.678 1.00 37.48 o ATOM 2460 N ARG B 80 -60.304 1.623 30.555 1.00 37.82 N

ATOM 2461 CA ARG B 80 -60.725 2.487 31.675 1.00 40.75 C

ATOM 2462 CB ARG B 80 -61.503 3.684 31.142 1.00 40.74 C

ATOM 2463 CG ARG B 80 -60.712 4.385 30.059 1.00 42.94 C

ATOM 2464 CD ARG B 80 -61.342 5.725 29.642 1.00 46.52 C

ATOM 2465 NE ARG B 80 -60.495 6.332 28.642 1.00 41.12 N

ATOM 2466 CZ ARG B 80 -60.502 6.011 27.351 1.00 41.58 C

ATOM 2467 NH1 ARG B 80 -61.373 5.128 26.872 1.00 36.77 N

ATOM 2468 NH2 ARG B 80 -59.613 6.600 26.534 1.00 39.45 N

ATOM 2469 C ARG B 80 -61.585 1.756 32.666 1.00 42.48 C

ATOM 2470 or ARG B 80 -62.727 1.398 32.364 1.00 42.34 0

ATOM 2471 N ASP B 81 -61.040 1.500 33.840 1.00 45.37 N

ATOM 2472 CA ASP B 81 -61.772 0.727 34.852 1.00 49.25 C

ATOM 2473 CB ASP B 81 -63.017 1.500 35.411 1.00 50.71 C

ATOM 2474 CG ASP B 81 -62.699 2.935 35.836 1.00 55.61 C

ATOM 2475 ODl ASP B 81 -61.830 3.107 36.726 1.00 59.97 o

ATOM 2476 OD2 ASP B 81 -63.338 3.885 35.280 1.00 62.86 o

ATOM 2477 C ASP B 81 -62.210 -0.693 34.422 1.00 49.21 C

ATOM 2478 or ASP B 81 -63.040 -1.234 35.092 1.00 51.99 o

ATOM 2479 N GLU B 82 -61.677 -1.251 33.325 1.00 49.39 N

ATOM 2480 CA GLU B 82 -61.795 -2.669 32.873 1.00 48.11 C

ATOM 2481 CB GLU B 82 -62.908 -2.837 31.815 1.00 48.73 C

ATOM 2482 CG GLU B 82 -62.732 -1.978 30.524 1.00 50.79 C

ATOM 2483 CD GLU B 82 -63.531 -2.479 29.303 1.00 51.58 c TOM 2484 OEl GLU B 82 -64.735 -2.495 29.503 1.00 49.06 o

ATOM 2485 OE2 GLU B 82 -62.970 -2.819 28.154 1.00 59.06 o

ATOM 2486 C GLU B 82 -60.458 -3.096 32.229 1.00 45.84 c

ATOM 2487 or GLU B 82 -59.618 -2.245 31.826 1.00 45.14 o

ATOM 2488 N PHE B 83 -60.262 -4.406 32.113 1.00 42.60 N

ATOM 2489 CA PHE B 83 -59.086 -4.971 31.510 1.00 38.87 C

ATOM 2490 CB PHE B 83 -58.178 -5.571 32.580 1.00 37.42 C

ATOM 2491 CG PHE B 83 -56.825 -6.027 32.016 1.00 38.86 C

ATOM 2492 CD1 PHE B 83 -56.696 -7.277 31.425 1.00 32.95 C

ATOM 2493 CE1 PHE B 83 -55.489 -7.711 30.862 1.00 37.50 c

ATOM 2494 CZ PHE B 83 -54.400 -6.840 30.874 1.00 37.12 c

ATOM 2495 CE2 PHE B 83 -54.560 -5.547 31.415 1.00 31.55 c

ATOM 2496 CD2 PHE B 83 -55.726 -5.128 31.945 1.00 31.09 c

ATOM 2497 C PHE B 83 -59.469 -6.019 30.470 1.00 37.93 c

ATOM 2498 or PHE B 83 -60.104 -7.013 30.843 1.00 38.51 o

ATOM 2499 N PRO B 84 -59.017 -5.869 29.189 1.00 36.47 N

ATOM 2500 CA PRO B 84 -59.537 -6.737 28.132 1.00 35.10 C ATOM 2501 CB PRO B 84 -59.206 -5.944 26 837 1.00 35.08 C

ATOM 2502 CG PRO B 84 -57.870 -5.193 27 200 1.00 31.76 C

ATOM 2503 CD PRO B 84 -57.911 -5.012 28 695 1.00 35.26 C

ATOM 2504 C PRO B 84 -58.909 -8.171 28 122 1.00 34.68 C

ATOM 2505 or PRO B 84 -58.341 -8.614 27.091 1.00 34.10 o

ATOM 2506 N LEU B 85 -59.032 -8.882 29 249 1.00 33.62 N

ATOM 2507 CA LEU B 85 -58.758 -10.383 29. 290 1.00 34.80 C

ATOM 2508 CB LEU B 85 -58.399 -10.847 30. 709 1.00 35.05 C

ATOM 2509 CG LEU B 85 -57.660 -12.221 30. 866 1.00 34.33 C

ATOM 2510 CD1 LEU B 85 -56.468 -12.368 29. 995 1.00 31.77 C

ATOM 2511 CD2 LEU B 85 -57.299 -12.556 32. 370 1.00 33.33 c

ATOM 2512 C LEU B 85 -59.980 -11.148 28. 762 1.00 32.26 c

ATOM 2513 or LEU B 85 -61.007 -11.084 29.320 1.00 33.48 o

ATOM 2514 N LEU B 86 -59.910 -11.695 27. 593 1.00 33.33 N

ATOM 2515 CA LEU B 86 -61.082 -12.214 26. 926 1.00 35.96 C

ATOM 2516 CB LEU B 86 -60.692 -12.794 25. 534 1.00 37.23 C

ATOM 2517 CG LEU B 86 -60.247 -11.791 24. 455 1.00 36.85 c

ATOM 2518 CD1 LEU B 86 -60.241 -12.343 23. 067 1.00 32.99 c

ATOM 2519 CD2 LEU B 86 -61.065 -10.533 24. 418 1.00 38.82 c

ATOM 2520 C LEU B 86 -61.830 -13.254 27. 790 1.00 36.95 c TOM 2521 or LEU B 86 -61.238 -13.985 28 .591 1.00 36.70 o TOM 2522 N THR B 87 -63.157 -13.270 27. 670 1.00 39.45 N

ATOM 2523 CA THR B 87 -64.006 -14.100 28. 574 1.00 39.14 C

ATOM 2524 CB THR B 87 -65.091 -13.290 29. 294 1.00 39.64 C

ATOM 2525 OGl THR B 87 -65.956 -12.689 28. 316 1.00 38.87 o

ATOM 2526 CG2 THR B 87 -64.484 -12.254 30. 187 1.00 37.42 C

ATOM 2527 C THR B 87 -64.696 -15.287 27. 832 1.00 39.52 C

ATOM 2528 or THR B 87 -65.230 -16.160 28 .465 1.00 39.72 o

ATOM 2529 N THR B 88 -64.658 -15.326 26. 504 1.00 38.95 N

ATOM 2530 CA THR B 88 -65.345 -16.365 25. 815 1.00 38.04 C

ATOM 2531 CB THR B 88 -65.761 -15.973 24. 411 1.00 36.07 C

ATOM 2532 OGl THR B 88 -64.614 -15.779 23. 588 1.00 36.99 o

ATOM 2533 CG2 THR B 88 -66.706 -14.782 24. 424 1.00 35.65 c

ATOM 2534 C THR B 88 -64.581 -17.710 25. 808 1.00 40.37 c

ATOM 2535 or THR B 88 -65.063 -18.738 25 .221 1.00 38.38 o

ATOM 2536 N LYS B 89 -63.390 -17.669 26. 425 1.00 40.50 N

ATOM 2537 CA LYS B 89 -62.486 -18.784 26. 532 1.00 40.81 c

ATOM 2538 CB LYS B 89 -61.712 -18.981 25. 259 1.00 40.68 c

ATOM 2539 CG LYS B 89 -60.325 -18.408 25. 298 1.00 36.69 C

ATOM 2540 CD LYS B 89 -59.669 -18.890 24. 082 1.00 30.90 C

ATOM 2541 CE LYS B 89 -58.475 -18.079 23. 785 1.00 24.91 C ATOM 2542 NZ LYS B 89 -57.907 -18.561 22 407 1.00 26.85 N

ATOM 2543 C LYS B 89 -61. 596 -18.315 27. 647 1.00 42.68 C

ATOM 2544 or LYS B 89 -61.446 -17.099 27.835 1.00 43.04 O

ATOM 2545 N ARG B 90 -61. 100 -19.251 28. 470 1.00 43.55 N

ATOM 2546 CA ARG B 90 -60. 228 -18.854 29. 561 1.00 43.58 C

ATOM 2547 CB ARG B 90 -60. 256 -19.801 30. 739 1.00 44.09 C

ATOM 2548 CG ARG B 90 -59. 146 -19.533 31. 776 1.00 46.86 C

ATOM 2549 CD ARG B 90 -59. 075 -20.544 32. 943 1.00 44.99 C

ATOM 2550 NE ARG B 90 -60. 305 -20.637 33. 740 1.00 47.41 N

ATOM 2551 CZ ARG B 90 -60. 612 -19.844 34. 755 1.00 51.27 C

ATOM 2552 NH1 ARG B 90 -59. 815 -18.808 35. 116 1.00 55.96 N

ATOM 2553 NH2 ARG B 90 -61. 740 -20.043 35. 388 1.00 49.17 N

ATOM 2554 C ARG B 90 -58. 799 -18.597 29. 016 1.00 42.69 C

ATOM 2555 or ARG B 90 -58 .253 -19.414 2£ .245 1.00 42.33 O

ATOM 2556 N VAL B 91 -58. 284 -17.384 29. 304 1.00 40.79 N

ATOM 2557 CA VAL B 91 -56. 939 -16.994 28. 849 1.00 39.83 C

ATOM 2558 CB VAL B 91 -56. 937 -15.518 28. 307 1.00 41.94 C

ATOM 2559 CGI VAL B 91 -55. 464 -15.004 27. 942 1.00 42.01 C

ATOM 2560 CG2 VAL B 91 -57. 892 -15.399 27. 113 1.00 41.01 C

ATOM 2561 C VAL B 91 -55. 967 -17.208 29. 985 1.00 37.16 C

ATOM 2562 or VAL B 91 -56 .248 -16.909 31 .107 1.00 35.62 O

ATOM 2563 N PHE B 92 -54. 832 -17.806 29. 692 1.00 38.80 N

ATOM 2564 CA PHE B 92 -53. 785 -18.083 30. 704 1.00 39.36 C

ATOM 2565 CB PHE B 92 -52. 804 -19.202 30. 177 1.00 38.20 C

ATOM 2566 CG PHE B 92 -51. 790 -19.658 31. 218 1.00 37.23 C

ATOM 2567 CD1 PHE B 92 -52. 131 -19.700 32. 564 1.00 40.06 C

ATOM 2568 CE1 PHE B 92 -51. 169 -20.138 33. 547 1.00 43.21 C

ATOM 2569 CZ PHE B 92 -49. 869 -20.493 33. 124 1.00 38.80 C

ATOM 2570 CE2 PHE B 92 -49. 527 -20.391 31. 784 1.00 36.41 C

ATOM 2571 CD2 PHE B 92 -50. 475 -19.993 30. 845 1.00 40.35 c

ATOM 2572 C PHE B 92 -53. 033 -16.719 31. 132 1.00 41.01 c

ATOM 2573 or PHE B 92 -51 .973 -16.391 3C .606 1.00 39.39 O

ATOM 2574 N TRP B 93 -53. 667 -15.997 32. 055 1.00 42.68 N

ATOM 2575 CA TRP B 93 -53. 265 -14.729 32. 581 1.00 46.58 c

ATOM 2576 CB TRP B 93 -54. 264 -14.268 33. 645 1.00 49.11 C

ATOM 2577 CG TRP B 93 -53. 738 -13.092 34. 395 1.00 51.67 C

ATOM 2578 CD1 TRP B 93 -53. 477 -13.003 35. 742 1.00 52.08 C

ATOM 2579 NE1 TRP B 93 -53. 016 -11.740 36. 052 1.00 52.77 N

ATOM 2580 CE2 TRP B 93 -52. 940 -10.993 34. 901 1.00 55.07 C

ATOM 2581 CD2 TRP B 93 -53. 393 -11.809 33. 832 1.00 55.04 C

ATOM 2582 CE3 TRP B 93 -53. 434 -11.265 32. 525 1.00 53.66 C ATOM 2583 CZ3 TRP B 93 -53.010 -9.945 32.334 1.00 53.14 C

ATOM 2584 CH2 TRP B 93 -52.561 -9.161 33.413 1.00 52.31 C

ATOM 2585 CZ2 TRP B 93 -52.512 -9.660 34.700 1.00 54.41 C

ATOM 2586 C TRP B 93 -51.879 -14.788 33.206 1.00 47.56 C

ATOM 2587 or TRP B 93 -50.998 -14.049 32.776 1.00 46.38 O

ATOM 2588 N LYS B 94 -51.690 -15.682 34.199 1.00 47.65 N

ATOM 2589 CA LYS B 94 -50.329 -16.003 34.743 1.00 47.17 C

ATOM 2590 CB LYS B 94 -50.337 -17.247 35.679 1.00 48.87 C

ATOM 2591 CG LYS B 94 -48.944 -17.935 35.974 1.00 49.93 C

ATOM 2592 CD LYS B 94 -48.821 -18.468 37.437 1.00 52.49 C

ATOM 2593 CE LYS B 94 -47.968 -19.789 37.530 1.00 58.34 C

ATOM 2594 NZ LYS B 94 -46.723 -19.918 36.613 1.00 61.98 N

ATOM 2595 C LYS B 94 -49.209 -16.065 33.727 1.00 43.93 C

ATOM 2596 or LYS B 94 -48.163 -15.479 33.969 1.00 44.43 O

ATOM 2597 N GLY B 95 -49.401 -16.716 32.589 1.00 41.56 N

ATOM 2598 CA GLY B 95 -48.364 -16.744 31.557 1.00 39.07 C

ATOM 2599 C GLY B 95 -48.216 -15.441 30.718 1.00 40.19 C

ATOM 2600 or GLY B 95 -47.144 -15.185 30.135 1.00 38.10 0

ATOM 2601 N VAL B 96 -49.294 -14.642 30.625 1.00 39.74 N

ATOM 2602 CA VAL B 96 -49.241 -13.302 29.973 1.00 40.78 C

ATOM 2603 CB VAL B 96 -50.702 -12.647 29.839 1.00 40.54 C

ATOM 2604 CGI VAL B 96 -50.649 -11.122 29.540 1.00 36.72 C

ATOM 2605 CG2 VAL B 96 -51.601 -13.468 28.794 1.00 38.21 c

ATOM 2606 C VAL B 96 -48.233 -12.427 30.797 1.00 40.94 c

ATOM 2607 or VAL B 96 -47.240 -11.991 30.242 1.00 42.10 0

ATOM 2608 N LEU B 97 -48.476 -12.321 32.091 1.00 40.75 N

ATOM 2609 CA LEU B 97 -47.670 -11.654 33.089 1.00 43.45 c

ATOM 2610 CB LEU B 97 -48.289 -11.858 34.491 1.00 42.68 C

ATOM 2611 CG LEU B 97 -47.863 -11.092 35.759 1.00 42.31 C

ATOM 2612 CD1 LEU B 97 -47.832 -9.509 35.545 1.00 41.72 C

ATOM 2613 CD2 LEU B 97 -48.837 -11.411 36.866 1.00 41.02 C

ATOM 2614 C LEU B 97 -46.241 -12.094 33.147 1.00 45.45 C

ATOM 2615 or LEU B 97 -45.323 -11.310 32.909 1.00 47.03 0

ATOM 2616 N GLU B 98 -46.062 -13.359 33.470 1.00 46.33 N

ATOM 2617 CA GLU B 98 -44.774 -13.965 33.534 1.00 47.92 C

ATOM 2618 CB GLU B 98 -44.922 -15.484 33.768 1.00 49.72 C

ATOM 2619 CG GLU B 98 -43.949 -16.081 34.764 1.00 59.05 C

ATOM 2620 CD GLU B 98 -44.323 -15.754 36.254 1.00 71.06 C

ATOM 2621 OE1 GLU B 98 -45.379 -16.273 36.753 1.00 75.78 O

ATOM 2622 OE2 GLU B 98 -43.547 -14.994 36.931 1.00 75.34 O

ATOM 2623 C GLU B 98 -43.988 -13.704 32.267 1.00 46.24 C ATOM 2624 or GLU B 98 -42.791 -13.420 32.324 1.00 46.87 O

ATOM 2625 N GLU B 99 -44. 616 -13.807 31. 114 1.00 44. 42 N

ATOM 2626 CA GLU B 99 -43. 839 -13.678 29. 883 1.00 44. 08 C

ATOM 2627 CB GLU B 99 -44. 653 -14.158 28. 685 1.00 43. 32 C

ATOM 2628 CG GLU B 99 -43. 861 -14.274 27. 364 1.00 46. 77 C

ATOM 2629 CD GLU B 99 -44. 693 -14.025 26. 053 1.00 49. 83 c

ATOM 2630 OE1 GLU B 99 -45. 700 -13.242 26. 069 1.00 58. 52 0

ATOM 2631 OE2 GLU B 99 -44. 299 -14.565 24. 978 1.00 53. 25 0

ATOM 2632 C GLU B 99 -43. 423 -12.215 29. 601 1.00 43. 13 c

ATOM 2633 or GLU B 99 -42 .370 -11.974 26 .977 1.00 42 .65 0

ATOM 2634 N LEU B 100 -44. 318 -11.283 29. 930 1.00 41. 11 N

ATOM 2635 CA LEU B 100 -44. 090 -9.871 29. 713 1.00 41. 68 C

ATOM 2636 CB LEU B 100 -45. 372 -9.066 30. 003 1.00 39. 47 C

ATOM 2637 CG LEU B 100 -45. 223 -7.565 29. 602 1.00 37. 10 C

ATOM 2638 CD1 LEU B 100 -44. 959 -7.422 28. 183 1.00 31. 86 c

ATOM 2639 CD2 LEU B 100 -46. 346 -6.738 30. 001 1.00 31. 17 c

ATOM 2640 C LEU B 100 -42. 875 -9.374 30. 636 1.00 41. 28 c

ATOM 2641 or LEU B 100 -41 .974 -8.822 3C .138 1.0C 4C .41 0

ATOM 2642 N LEU B 101 -42. 943 -9.661 31. 937 1.00 42. 03 N

ATOM 2643 CA LEU B 101 -41. 976 -9.379 32. 971 1.00 44. 17 c

ATOM 2644 CB LEU B 101 -42. 390 -10.024 34. 281 1.00 43. 66 c

ATOM 2645 CG LEU B 101 -43. 536 -9.244 34. 882 1.00 45. 23 c

ATOM 2646 CD1 LEU B 101 -44. 073 -9.856 36. 186 1.00 42. 80 c

ATOM 2647 CD2 LEU B 101 -43. 090 -7.821 35. 135 1.00 46. 04 c

ATOM 2648 C LEU B 101 -40. 623 -9.870 32. 557 1.00 46. 36 c

ATOM 2649 or LEU B 101 -38 .634 -9.136 32 .680 1.0C 47 .06 0

ATOM 2650 N TRP B 102 -40. 604 -11.077 31. 999 1.00 47. 87 N

ATOM 2651 CA TRP B 102 -39. 444 -11.676 31. 365 1.00 48. 68 C

ATOM 2652 CB TRP B 102 -39. 816 -13.087 30. 833 1.00 49. 61 C

ATOM 2653 CG TRP B 102 -38. 668 -13.880 30. 260 1.00 49. 47 C

ATOM 2654 CD1 TRP B 102 -37. 625 -14.446 30. 973 1.00 51. 79 c

ATOM 2655 NE1 TRP B 102 -36. 750 -15.090 30. 113 1.00 50. 40 N

ATOM 2656 CE2 TRP B 102 -37. 216 -14.964 28. 835 1.00 49. 74 C

ATOM 2657 CD2 TRP B 102 -38. 436 -14.218 28. 889 1.00 48. 84 C

ATOM 2658 CE3 TRP B 102 -39. 119 -13.959 27. 702 1.00 50. 96 C

ATOM 2659 CZ3 TRP B 102 -38. 583 -14.457 26. 491 1.00 51. 46 C

ATOM 2660 CH2 TRP B 102 -37. 376 -15.198 26. 482 1.00 52. 23 C

ATOM 2661 CZ2 TRP B 102 -36. 680 -15.455 27. 643 1.00 51. 25 c

ATOM 2662 C TRP B 102 -38. 923 -10.804 30. 242 1.00 49. 41 C

ATOM 2663 or TRP B 102 -37 .727 -10.556 30 .154 1.00 50 .03 0

ATOM 2664 N PHE B 103 -39. 799 -10.388 29. 331 1.00 50. 27 N ATOM 2665 CA PHE B 103 -39 411 -9.462 28 269 1.00 50.96 C

ATOM 2666 CB PHE B 103 -40 604 -9.183 27 401 1.00 52.49 C

ATOM 2667 CG PHE B 103 -40 803 -10.196 26 332 1.00 54.92 C

ATOM 2668 CD1 PHE B 103 -39. 804 -10.458 25 439 1.00 56.39 C

ATOM 2669 CE1 PHE B 103 -39. 999 -11.429 24 415 1.00 60.28 C

ATOM 2670 CZ PHE B 103 -41. 199 -12.111 24. 308 1.00 55.84 C

ATOM 2671 CE2 PHE B 103 -42. 208 -11.851 25. 222 1.00 57.22 C

ATOM 2672 CD2 PHE B 103 -42. 013 -10.900 26. 224 1.00 57.94 C

ATOM 2673 C PHE B 103 -38. 880 -8.110 28. 777 1.00 50.15 C

ATOM 2674 or PHE B 103 -37.885 -7.622 28.275 1.00 50.33 O

ATOM 2675 N ILE B 104 -39. 559 -7.517 29. 747 1.00 50.98 N

ATOM 2676 CA ILE B 104 -39. 194 -6.213 30. 317 1.00 52.71 C

ATOM 2677 CB ILE B 104 -40. 277 -5.739 31. 324 1.00 51.93 C

ATOM 2678 CGI ILE B 104 -41. 577 -5.297 30. 654 1.00 48.54 C

ATOM 2679 CD1 ILE B 104 -42. 684 -5.163 31. 716 1.00 48.85 C

ATOM 2680 CG2 ILE B 104 -39. 768 -4.661 32. 243 1.00 49.13 c

ATOM 2681 C ILE B 104 -37. 785 -6.287 31. 022 1.00 56.79 c

ATOM 2682 or ILE B 104 -37 .403 -5.403 31 .769 1.0C 58.12 0

ATOM 2683 N LYS B 105 -37. 023 -7.350 30. 795 1.00 59.77 N

ATOM 2684 CA LYS B 105 -35. 757 -7.506 31. 477 1.00 62.75 c

ATOM 2685 CB LYS B 105 -35. 911 -8.363 32. 750 1.00 62.76 C

ATOM 2686 CG LYS B 105 -35. 252 -9.740 32. 737 1.00 62.61 C

ATOM 2687 CD LYS B 105 -35. 245 -10.330 34. 137 1.00 65.18 C

ATOM 2688 CE LYS B 105 -35. 238 -11.896 34. 103 1.00 70.97 C

ATOM 2689 NZ LYS B 105 -36. 117 -12.555 35. 158 1.00 71.81 N

ATOM 2690 C LYS B 105 -34. 658 -7.956 30. 504 1.00 63.87 C

ATOM 2691 or LYS B 105 -33 .497 -8.075 3C .852 1.00 65.07 O

ATOM 2692 N GLY B 106 -35. 015 -8.133 29. 256 1.00 65.27 N

ATOM 2693 CA GLY B 106 -34. 023 -8.352 28. 242 1.00 68.22 C

ATOM 2694 C GLY B 106 -33. 519 -9.777 28. 184 1.00 70.89 C

ATOM 2695 or GLY B 106 -32 .512 -10.042 27 .507 1.00 70.58 O

ATOM 2696 N SER B 107 -34. 232 -10.698 28. 856 1.00 73.28 N

ATOM 2697 CA SER B 107 -33. 782 -12.090 28. 957 1.00 75.86 C

ATOM 2698 CB SER B 107 -34. 598 -12.864 29. 982 1.00 75.59 C

ATOM 2699 OG SER B 107 -33. 812 -13.920 30. 526 1.00 76.91 O

ATOM 2700 C SER B 107 -33. 752 -12.814 27. 615 1.00 77.53 C

ATOM 2701 or SER B 107 -34 .764 -12.842 26 .903 1.00 78.25 O

ATOM 2702 N THR B 108 -32. 565 -13.318 27. 260 1.00 79.51 N

ATOM 2703 CA THR B 108 -32. 392 -14.264 26. 164 1.00 82.01 C

ATOM 2704 CB THR B 108 -31. 331 -13.812 25. 103 1.00 81.98 C

ATOM 2705 OG1 THR B 108 -30. 000 -14.022 25. 586 1.00 82.70 O ATOM 2706 CG2 THR B 108 -31 496 -12.343 24.716 1.00 82.36 C

ATOM 2707 C THR B 108 -32. 111 -15.678 26. 749 1.00 84.03 C

ATOM 2708 or THR B 108 -31.461 -16.531 26.118 1.00 83.95 O

ATOM 2709 N ASN B 109 -32. 656 -15.918 27. 948 1.00 86.54 N

ATOM 2710 CA ASN B 109 -32. 495 -17.189 28. 664 1.00 88.96 C

ATOM 2711 CB ASN B 109 -31. 863 -16.937 30. 036 1.00 88.89 C

ATOM 2712 CG ASN B 109 -31. 043 -18.117 30. 518 1.00 89.26 C

ATOM 2713 OD1 ASN B 109 -29. 972 -18.402 29. 971 1.00 89.12 O

ATOM 2714 ND2 ASN B 109 -31. 540 -18.811 31. 540 1.00 88.28 N

ATOM 2715 C ASN B 109 -33. 785 -18.008 28. 831 1.00 90.58 C

ATOM 2716 or ASN B 109 -34 .565 -17.758 29.766 1.00 90.56 O

ATOM 2717 N ALA B 110 -33. 982 -18.993 27. 946 1.00 92.64 N

ATOM 2718 CA ALA B 110 -35. 200 -19.833 27. 927 1.00 95.03 C

ATOM 2719 CB ALA B 110 -34. 990 -21.052 27. 008 1.00 94.79 C

ATOM 2720 C ALA B 110 -35. 794 -20.264 29. 301 1.00 96.72 C

ATOM 2721 or ALA B 110 -37 .024 -20.379 2S .438 1.00 96.49 O

ATOM 2722 N LYS B 111 -34. 929 -20.464 30. 307 1.00 99.03 N

ATOM 2723 CA LYS B 111 -35. 346 -21.034 31. 602 1.00101.16 C

ATOM 2724 CB LYS B 111 -34. 420 -22.191 32. 067 1.00101.36 c

ATOM 2725 CG LYS B 111 -32. 916 -21.944 31. 997 1.00101.49 c

ATOM 2726 CD LYS B 111 -32. 322 -22.523 30. 697 1.00102.39 c

ATOM 2727 CE LYS B 111 -30. 819 -22.217 30. 555 1.00102.34 c

ATOM 2728 NZ LYS B 111 -30. 305 -22.300 29. 147 1.00100.89 N

ATOM 2729 C LYS B 111 -35. 703 -20.102 32. 778 1.00102.72 C

ATOM 2730 or LYS B 111 -35 .723 -20.550 33 .926 1.00103.10 O

ATOM 2731 N GLU B 112 -35. 994 -18.823 32. 509 1.00104.63 N

ATOM 2732 CA GLU B 112 -36. 870 -18.039 33. 409 1.00106.21 C

ATOM 2733 CB GLU B 112 -36. 456 -16.566 33. 558 1.00106.19 C

ATOM 2734 CG GLU B 112 -35. 138 -16.280 34. 308 1.00107.41 C

ATOM 2735 CD GLU B 112 -33. 963 -15.943 33. 365 1.00108.60 C

ATOM 2736 OE1 GLU B 112 -33. 229 -14.949 33. 613 1.00107.76 O

ATOM 2737 OE2 GLU B 112 -33. 786 -16.670 32. 360 1.00109.30 O

ATOM 2738 C GLU B 112 -38. 283 -18.127 32. 830 1.00107.25 C

ATOM 2739 or GLU E 112 -39 .256 -17.688 33 .454 1.00107.57 O

ATOM 2740 N LEU B 113 -38. 377 -18.689 31. 624 1.00108.50 N

ATOM 2741 CA LEU B 113 -39. 665 -18.927 30. 968 1.00109.90 C

ATOM 2742 CB LEU B 113 -39. 733 -18.179 29. 629 1.00109.27 C

ATOM 2743 CG LEU B 113 -41. 147 -17.742 29. 281 1.00107.44 C

ATOM 2744 CD1 LEU B 113 -41. 506 -16.565 30. 150 1.00105.38 C

ATOM 2745 CD2 LEU B 113 -41. 274 -17.442 27. 794 1.00106.77 C

ATOM 2746 C LEU B 113 -39. 991 -20.447 30. 816 1.00111.30 c ATOM 2747 or LEU B 113 -40.987 -20.846 30.175 1.00111.39 o

ATOM 2748 N SER B 114 -39.134 -21.284 31.400 1.00112.73 N

ATOM 2749 CA SER B 114 -39.469 -22.682 31.661 1.00113.86 C

ATOM 2750 CB SER B 114 -38.332 -23.619 31.222 1.00113.79 C TOM 2751 OG SER B 114 -38.311 -23.794 29.813 1.00113.42 o

ATOM 2752 C SER B 114 -39.724 -22.789 33.165 1.00114.76 C

ATOM 2753 or SER B 114 -40.780 -23.302 33.604 1.00114.63 o

ATOM 2754 N SER B 115 -38.764 -22.242 33.927 1.00115.76 N

ATOM 2755 CA SER B 115 -38.676 -22.383 35.397 1.00116.81 C

ATOM 2756 CB SER B 115 -37.212 -22.263 35.885 1.00116.90 C

ATOM 2757 OG SER B 115 -36.383 -23.298 35.358 1.00116.53 o

ATOM 2758 C SER B 115 -39.605 -21.471 36.227 1.00117.26 C

ATOM 2759 or SER B 115 -39.707 -21.633 37.456 1.00117.08 o

ATOM 2760 N LYS B 116 -40.274 -20.524 35.565 1.00117.91 N

ATOM 2761 CA LYS B 116 -41.337 -19.742 36.225 1.00118.40 C TOM 2762 CB LYS B 116 -41.362 -18.277 35.748 1.00118.26 C TOM 2763 CG LYS B 116 -40.414 -17.350 36.552 1.00117.48 C TOM 2764 CD LYS B 116 -41.014 -16.991 37.923 1.00116.04 C TOM 2765 CE LYS B 116 -39.957 -16.696 38.957 1.00114.53 c

ATOM 2766 NZ LYS B 116 -39.255 -15.445 38.642 1.00112.67 N

ATOM 2767 C LYS B 116 -42.704 -20.436 36.106 1.00118.74 c

ATOM 2768 or LYS B 116 -43.635 -20.136 36.867 1.00118.58 o

ATOM 2769 N GLY B 117 -42.789 -21.383 35.169 1.00119.07 N

ATOM 2770 CA GLY B 117 -43.923 -22.308 35.071 1.00119.69 C

ATOM 2771 C GLY B 117 -44.823 -22.054 33.873 1.00120.06 C

ATOM 2772 or GLY B 117 -46.028 -22.356 33.916 1.00120.12 o

ATOM 2773 N VAL B 118 -44.236 -21.513 32.800 1.00120.16 N

ATOM 2774 CA VAL B 118 -45.006 -21.035 31.635 1.00120.14 C

ATOM 2775 CB VAL B 118 -44.988 -19.466 31.529 1.00120.05 C

ATOM 2776 CGI VAL B 118 -45.974 -18.867 32.523 1.00119.46 C

ATOM 2777 CG2 VAL B 118 -43.595 -18.902 31.793 1.00120.02 C

ATOM 2778 C VAL B 118 -44.673 -21.759 30.299 1.00120.28 C

ATOM 2779 or VAL B 118 -45.446 -21.665 29.326 1.00120.11 o

ATOM 2780 N LYS B 119 -43.538 -22.482 30.290 1.00120.32 N

ATOM 2781 CA LYS B 119 -43.074 -23.365 29.187 1.00120.05 C

ATOM 2782 CB LYS B 119 -43.920 -24.657 29.073 1.00120.02 C

ATOM 2783 CG LYS B 119 -44.252 -25.375 30.402 1.00119.73 C

ATOM 2784 CD LYS B 119 -43.045 -26.095 31.007 1.00119.51 C

ATOM 2785 CE LYS B 119 -43.261 -26.395 32.485 1.00118.56 C

ATOM 2786 NZ LYS B 119 -43.241 -25.161 33.326 1.00118.42 N

ATOM 2787 C LYS B 119 -42.989 -22.660 27.837 1.00119.91 C ATOM 2788 or LYS B 119 -42.443 -23.206 26.882 1.00119.80 o

ATOM 2789 N ASP B 142 -30.795 -20.598 26.271 1.00 98.61 N

ATOM 2790 CA ASP B 142 -29.750 -20.498 25.244 1.00 99.09 C

ATOM 2791 CB ASP B 142 -29.240 -21.903 24.814 1.00 99.35 C

ATOM 2792 CG ASP B 142 -28.329 -22.599 25.876 1.00100.75 C

ATOM 2793 ODl ASP B 142 -28.802 -22.886 27.009 1.00101.07 o

ATOM 2794 OD2 ASP B 142 -27.143 -22.905 25.562 1.00101.12 o

ATOM 2795 C ASP B 142 -30.232 -19.709 23.998 1.00 99.15 C

ATOM 2796 or ASP B 142 -29.604 -19.793 22.933 1.00 98.88 o

ATOM 2797 N LEU B 143 -31.312 -18.921 24.161 1.00 99.20 N

ATOM 2798 CA LEU B 143 -32.144 -18.333 23.054 1.00 98.77 C

ATOM 2799 CB LEU B 143 -33.506 -17.812 23.598 1.00 98.78 C

ATOM 2800 CG LEU B 143 -34.595 -18.675 24.279 1.00 99.13 C

ATOM 2801 CD1 LEU B 143 -35.485 -17.828 25.175 1.00 98.14 C

ATOM 2802 CD2 LEU B 143 -35.447 -19.469 23.281 1.00 98.45 c

ATOM 2803 C LEU B 143 -31.541 -17.211 22.177 1.00 98.49 c

ATOM 2804 or LEU B 143 -30.430 -16.698 22.412 1.00 98.17 o

ATOM 2805 N GLY B 144 -32.324 -16.843 21.158 1.00 98.34 N

ATOM 2806 CA GLY B 144 -32.125 -15.611 20.367 1.00 97.43 C

ATOM 2807 C GLY B 144 -32.819 -14.361 20.956 1.00 96.38 C

ATOM 2808 or GLY B 144 -33.471 -14.438 22.037 1.00 96.09 o

ATOM 2809 N PRO B 145 -32.690 -13.200 20.255 1.00 95.12 N

ATOM 2810 CA PRO B 145 -33.052 -11.935 20.897 1.00 93.89 C

ATOM 2811 CB PRO B 145 -32.246 -10.874 20.092 1.00 94.10 C

ATOM 2812 CG PRO B 145 -31.497 -11.625 18.978 1.00 94.23 C

ATOM 2813 CD PRO B 145 -32.219 -12.975 18.871 1.00 95.36 C

ATOM 2814 C PRO B 145 -34.547 -11.708 20.777 1.00 92.39 c

ATOM 2815 or PRO B 145 -35.014 -11.329 19.706 1.00 92.86 o

ATOM 2816 N VAL B 146 -35.316 -11.973 21.830 1.00 90.55 N

ATOM 2817 CA VAL B 146 -36.755 -11.874 21.643 1.00 88.31 C

ATOM 2818 CB VAL B 146 -37.635 -13.039 22.265 1.00 88.27 C

ATOM 2819 CGI VAL B 146 -38.479 -13.724 21.175 1.00 87.37 C

ATOM 2820 CG2 VAL B 146 -36.823 -14.069 23.043 1.00 87.02 C

ATOM 2821 C VAL B 146 -37.252 -10.489 21.978 1.00 87.88 C

ATOM 2822 or VAL B 146 -36.471 -9.581 22.427 1.00 87.30 o

ATOM 2823 N TYR B 147 -38.525 -10.282 21.633 1.00 87.76 N

ATOM 2824 CA TYR B 147 -39.308 -9.098 21.998 1.00 85.76 C

ATOM 2825 CB TYR B 147 -40.827 -9.474 22.003 1.00 86.13 C

ATOM 2826 CG TYR B 147 -41.324 -10.302 20.781 1.00 86.49 C

ATOM 2827 CD1 TYR B 147 -41.566 -11.683 20.872 1.00 86.22 C

ATOM 2828 CE1 TYR B 147 -42.018 -12.447 19.729 1.00 86.42 c ATOM 2829 CZ TYR B 147 -42.260 -11.815 18.493 1.00 87.26 C

ATOM 2830 OH TYR B 147 -42.712 -12.524 17.374 1 .00 84.85 O

ATOM 2831 CE2 TYR B 147 -42.043 -10.438 18.391 1 .00 87.50 C

ATOM 2832 CD2 TYR B 147 -41.578 -9.691 19.542 1 .00 88.55 C

ATOM 2833 C TYR B 147 -38.823 -8.466 23.360 1 .00 85.24 C

ATOM 2834 or TYR B 147 -39.556 -7.656 23.995 1.00 85.76 O

ATOM 2835 N GLY B 148 -37.569 -8.810 23.771 1 .00 83.34 N

ATOM 2836 CA GLY B 148 -37.110 -8.422 25.137 1 .00 82.10 C

ATOM 2837 C GLY B 148 -35.691 -7.893 25.093 1 .00 79.50 C

ATOM 2838 or GLY B 148 -35.404 -6.850 25.689 1.0C 79.01 O

ATOM 2839 N PHE B 149 -34.809 -8.629 24.392 1 .00 76.76 N

ATOM 2840 CA PHE B 149 -33.450 -8.172 24.112 1 .00 73.80 C

ATOM 2841 CB PHE B 149 -32.489 -9.268 23.548 1 .00 74.53 c

ATOM 2842 CG PHE B 149 -31.053 -8.745 23.244 1 .00 75.70 c

ATOM 2843 CD1 PHE B 149 -30.695 -8.313 21.955 1 .00 75.41 c

ATOM 2844 CE1 PHE B 149 -29.407 -7.791 21.676 1 .00 75.74 c

ATOM 2845 CZ PHE B 149 -28.447 -7.709 22.701 1 .00 75.40 c

ATOM 2846 CE2 PHE B 149 -28.782 -8.126 23.994 1 .00 75.87 c

ATOM 2847 CD2 PHE B 149 -30.088 -8.636 24.266 1 .00 76.97 c

ATOM 2848 C PHE B 149 -33.522 -7.015 23.142 1 .00 70.94 c

ATOM 2849 or PHE B 149 -32.626 -6.148 23.179 1.0C 70.44 0

ATOM 2850 N GLN B 150 -34.537 -6.992 22.259 1 .00 66.79 N

ATOM 2851 CA GLN B 150 -34.603 -5.853 21.335 1 .00 62.98 c

ATOM 2852 CB GLN B 150 -35.109 -6.198 19.938 1 .00 63.36 c

ATOM 2853 CG GLN B 150 -34.673 -7.554 19.354 1 .00 64.92 c

ATOM 2854 CD GLN B 150 -35.907 -8.397 18.909 1 .00 67.67 c

ATOM 2855 OE1 GLN B 150 -37.086 -8.209 19.382 1 .00 65.17 0

ATOM 2856 NE2 GLN B 150 -35.649 -9.316 17.980 1 .00 68.77 N

ATOM 2857 C GLN B 150 -35.344 -4.654 21.933 1 .00 59.60 C

ATOM 2858 or GLN B 150 -35.162 -3.562 21.447 1.00 59.82 0

ATOM 2859 N TRP B 151 -36.164 -4.866 22.967 1 .00 55.59 N

ATOM 2860 CA TRP B 151 -36.882 -3.811 23.688 1 .00 52.41 C

ATOM 2861 CB TRP B 151 -37.969 -4.431 24.554 1 .00 48.95 C

ATOM 2862 CG TRP B 151 -39.362 -4.668 23.996 1 .00 46.37 C

ATOM 2863 CD1 TRP B 151 -39.791 -4.607 22.666 1 .00 40.79 C

ATOM 2864 NE1 TRP B 151 -41.154 -4.894 22.608 1 .00 41.10 N

ATOM 2865 CE2 TRP B 151 -41.610 -5.195 23.879 1 .00 42.77 C

ATOM 2866 CD2 TRP B 151 -40.511 -5.075 24.773 1 .00 38.94 C

ATOM 2867 CE3 TRP B 151 -40.722 -5.298 26.132 1 .00 39.70 C

ATOM 2868 CZ3 TRP B 151 -41.990 -5.657 26.571 1 .00 43.72 C

ATOM 2869 CH2 TRP B 151 -43.078 -5.815 25.648 1 .00 45.38 C ATOM 2870 CZ2 TRP B 151 -42.901 -5.596 24.314 1.00 42.31 C

ATOM 2871 C TRP B 151 -35. 938 -3.048 24.686 1. 00 53.35 C

ATOM 2872 or TRP B 151 -36.209 -1.914 25.086 1.00 50.83 o

ATOM 2873 N ARG B 152 -34. 900 -3.752 25.162 1. 00 54.94 N

ATOM 2874 CA ARG B 152 -33. 956 -3.265 26.173 1. 00 55.73 C

ATOM 2875 CB ARG B 152 -33. 842 -4.188 27.390 1. 00 53.80 C

ATOM 2876 CG ARG B 152 -35. 147 -4.595 28.086 1. 00 51.73 C

ATOM 2877 CD ARG B 152 -36. 171 -3.450 28.431 1. 00 51.95 C

ATOM 2878 NE ARG B 152 -35. 588 -2.326 29.174 1. 00 50.94 N

ATOM 2879 CZ ARG B 152 -35. 784 -2.033 30.445 1. 00 49.45 C

ATOM 2880 NH1 ARG B 152 -36. 586 -2.758 31.203 1. 00 53.57 N

ATOM 2881 NH2 ARG B 152 -35. 159 -0.997 30.972 1. 00 53.50 N

ATOM 2882 C ARG B 152 -32. 584 -3.003 25.588 1. 00 57.99 C

ATOM 2883 or ARG B 152 -31 .916 -2.054 26.030 1 . oc 59.72 o

ATOM 2884 N HIS B 153 -32. 138 -3.780 24.605 1. 00 60.73 N

ATOM 2885 CA HIS B 153 -30. 736 -3.641 24.125 1. 00 64.02 C

ATOM 2886 CB HIS B 153 -29. 742 -4.665 24.805 1. 00 63.52 C

ATOM 2887 CG HIS B 153 -29. 908 -4.822 26.301 1. 00 62.88 C

ATOM 2888 ND1 HIS B 153 -29. 540 -3.848 27.213 1. 00 63.83 N

ATOM 2889 CE1 HIS B 153 -29. 821 -4.243 28.447 1. 00 63.80 C

ATOM 2890 NE2 HIS B 153 -30. 343 -5.457 28.376 1. 00 68.04 N

ATOM 2891 CD2 HIS B 153 -30. 403 -5.845 27.044 1. 00 66.41 C

ATOM 2892 C HIS B 153 -30. 639 -3.667 22.585 1. 00 67.35 C

ATOM 2893 or HIS B 153 -2S .854 -4.429 22.006 1 .00 66.92 o

ATOM 2894 N PHE B 154 -31. 429 -2.819 21.919 1. 00 71.72 N

ATOM 2895 CA PHE B 154 -31. 476 -2.870 20.471 1. 00 75.81 C

ATOM 2896 CB PHE B 154 -32. 572 -2.027 19.817 1. 00 76.37 C

ATOM 2897 CG PHE B 154 -32. 600 -2.261 18.353 1. 00 78.20 C

ATOM 2898 CD1 PHE B 154 -31. 568 -1.770 17.545 1. 00 81.14 C

ATOM 2899 CE1 PHE B 154 -31. 507 -2.074 16.186 1. 00 81.69 C

ATOM 2900 CZ PHE B 154 -32. 470 -2.892 15.624 1. 00 80.86 C

ATOM 2901 CE2 PHE B 154 -33. 464 -3.413 16.421 1. 00 80.99 C

ATOM 2902 CD2 PHE B 154 -33. 514 -3.118 17.791 1. 00 79.24 C

ATOM 2903 C PHE B 154 -30. 169 -2.639 19.700 1. 00 79.02 C

ATOM 2904 or PHE E 154 -29 .587 -1.541 19.741 1 .00 79.09 o

ATOM 2905 N GLY B 155 -29. 755 -3.661 18.946 1. 00 82.95 N

ATOM 2906 CA GLY B 155 -28. 721 -3.527 17.892 1. 00 87.50 C

ATOM 2907 C GLY B 155 -27. 313 -3.611 18.441 1. 00 90.79 C

ATOM 2908 or GLY E 155 -26 .321 -3.435 17.698 1 .00 90.85 o

ATOM 2909 N ALA B 156 -27. 261 -3.885 19.752 1. 00 94.13 N

ATOM 2910 CA ALA B 156 -26. 041 -4.051 20.529 1. 00 97.35 C ATOM 2911 CB ALA B 156 -26.361 -4.094 22.035 1.00 96.65 C

ATOM 2912 C ALA B 156 -25.277 -5. 310 20. 117 1 .00 99.89 C

ATOM 2913 or ALA B 156 -25.856 -6.295 19.626 1.00100.45 o

ATOM 2914 N GLU B 157 -23.964 -5. 231 20. 304 1 .00102.82 N

ATOM 2915 CA GLU B 157 -23.070 -6. 363 20. 259 1 .00105.27 C

ATOM 2916 CB GLU B 157 -21.703 -5. 920 20. 796 1 .00105.78 C

ATOM 2917 CG GLU B 157 -20.797 -5. 295 19. 748 1 .00106.90 C

ATOM 2918 CD GLU B 157 -20.228 -6. 344 18. 812 1 .00108.92 C

ATOM 2919 OEl GLU B 157 -20.036 -7. 506 19. 259 1 .00108.35 o

ATOM 2920 OE2 GLU B 157 -19.978 -6. 009 17. 631 1 .00110.13 o

ATOM 2921 C GLU B 157 -23.632 -7. 516 21. 094 1 .00106.60 C

ATOM 2922 or GLU B 157 -23.462 -7 .573 22 .319 1.00106.55 o

ATOM 2923 N TYR B 158 -24.341 -8. 410 20. 413 1 .00108.62 N

ATOM 2924 CA TYR B 158 -24.828 -9. 646 21. 013 1 .00110.47 C

ATOM 2925 CB TYR B 158 -25.869 -10. 293 20. 073 1 .00110.77 C

ATOM 2926 CG TYR B 158 -26.892 -11. 245 20. 693 1 .00111.43 C

ATOM 2927 CD1 TYR B 158 -26.631 -11. 936 21. 900 1 .00112.25 C

ATOM 2928 CE1 TYR B 158 -27.582 -12. 831 22. 450 1 .00112.39 C

ATOM 2929 CZ TYR B 158 -28.795 -13. 042 21. 776 1 .00112.08 c

ATOM 2930 OH TYR B 158 -29.730 -13. 927 22. 294 1 .00110.80 o

ATOM 2931 CE2 TYR B 158 -29.059 -12. 371 20. 573 1 .00110.99 c

ATOM 2932 CD2 TYR B 158 -28.118 -11. 489 20. 041 1 .00111.17 c

ATOM 2933 C TYR B 158 -23.586 -10. 534 21. 180 1 .00111.34 c

ATOM 2934 or TYR B 158 -23.013 -11 .000 20 .182 1.00111.49 o

ATOM 2935 N ARG B 159 -23.130 -10. 713 22. 424 1 .00112.36 N

ATOM 2936 CA ARG B 159 -21.975 -11. 594 22. 699 1 .00113.26 C

ATOM 2937 CB ARG B 159 -20.930 -10. 924 23. 611 1 .00113.21 C

ATOM 2938 CG ARG B 159 -20.023 -9. 909 22. 890 1 .00112.66 c

ATOM 2939 CD ARG B 159 -19.415 -8. 901 23. 850 1 .00111.89 c

ATOM 2940 NE ARG B 159 -20.422 -8. 274 24. 715 1 .00110.83 N

ATOM 2941 CZ ARG B 159 -20.599 -8. 552 26. 010 1 .00109.27 C

ATOM 2942 NH1 ARG B 159 -19.833 -9. 444 26. 625 1 .00108.52 N

ATOM 2943 NH2 ARG B 159 -21.541 -7. 926 26. 699 1 .00108.06 N

ATOM 2944 C ARG B 159 -22.416 -12. 963 23. 244 1 .00114.01 C

ATOM 2945 or ARG B 159 -22.086 -14 .010 22 .659 1.00114.10 o

ATOM 2946 N ASP B 160 -23.171 -12. 951 24. 342 1 .00114.54 N

ATOM 2947 CA ASP B 160 -23.752 -14. 182 24. 881 1 .00115.15 C

ATOM 2948 CB ASP B 160 -22.832 -14. 784 25. 966 1 .00115.24 C

ATOM 2949 CG ASP B 160 -23.294 -16. 164 26. 456 1 .00115.57 C

ATOM 2950 ODl ASP B 160 -24.088 -16. 834 25. 738 1 .00115.91 o

ATOM 2951 OD2 ASP B 160 -22.861 -16. 563 27. 571 1 .00114.54 o ATOM 2952 C ASP B 160 -25.195 -13.954 25.391 1.00115.36 C

ATOM 2953 or ASP B 160 -25.997 -13.203 24.756 1.00115.81 O

ATOM 2954 N MET B 161 -25.514 -14.638 26. 505 1.00114. 93 N

ATOM 2955 CA MET B 161 -26.720 -14.405 27. 303 1.00114. 37 C

ATOM 2956 CB MET B 161 -27.683 -15.605 27. 235 1.00114. 53 C

ATOM 2957 CG MET B 161 -27.014 -16.964 27. 359 1.00114. 74 c

ATOM 2958 SD MET B 161 -28.072 -18.304 27. 927 1.00113. 83 S

ATOM 2959 CE MET B 161 -26.989 -19.683 27. 553 1.00114. 88 c

ATOM 2960 C MET B 161 -26.311 -14.106 28. 753 1.00113. 94 c

ATOM 2961 or MET B 161 -27.062 -13.483 29.508 1.00114 .05 0

ATOM 2962 N GLU B 162 -25.113 -14.555 29. 126 1.00113. 23 N

ATOM 2963 CA GLU B 162 -24.525 -14.246 30. 432 1.00112. 45 C

ATOM 2964 CB GLU B 162 -23.563 -15.364 30. 873 1.00112. 61 C

ATOM 2965 CG GLU B 162 -24.222 -16.746 31. 040 1.00112. 51 C

ATOM 2966 CD GLU B 162 -25.439 -16.744 31. 981 1.00112. 72 C

ATOM 2967 OE1 GLU B 162 -26.044 -15.667 32. 198 1.00112. 19 0

ATOM 2968 OE2 GLU B 162 -25.796 -17.828 32. 501 1.00112. 15 o

ATOM 2969 C GLU B 162 -23.804 -12.897 30. 401 1.00111. 73 C

ATOM 2970 or GLU B 162 -23.646 -12.251 31 .444 1.00111 .37 0

ATOM 2971 N SER B 163 -23.393 -12.503 29. 188 1.00110. 72 N

ATOM 2972 CA SER B 163 -22.665 -11.265 28. 878 1.00109. 90 C

ATOM 2973 CB SER B 163 -22.580 -11.087 27. 362 1.00109. 96 C

ATOM 2974 OG SER B 163 -21.787 -12.101 26. 771 1.00110. 36 O

ATOM 2975 C SER B 163 -23.262 -10.002 29. 501 1.00109. 16 C

ATOM 2976 or SER B 163 -24.408 -10.016 29 .957 1.00109 .33 O

ATOM 2977 N ASP B 164 -22.490 -8.907 29. 509 1.00108. 23 N

ATOM 2978 CA ASP B 164 -22.911 -7.671 30. 218 1.00106. 73 C

ATOM 2979 CB ASP B 164 -21.920 -7.266 31. 298 1.00106. 93 C

ATOM 2980 CG ASP B 164 -22.621 -6.767 32. 510 1.00107. 49 C

ATOM 2981 OD1 ASP B 164 -22.570 -5.549 32. 759 1.00108. 61 O

ATOM 2982 OD2 ASP B 164 -23.287 -7.595 33. 174 1.00108. 21 O

ATOM 2983 C ASP B 164 -23.274 -6.457 29. 359 1.00105. 31 c

ATOM 2984 or ASP E 164 -22.431 -5.920 28 .614 1.00105 .29 0

ATOM 2985 N TYR B 165 -24.527 -6.014 29. 517 1.00103. 16 N

ATOM 2986 CA TYR B 165 -25.186 -5.158 28. 527 1.00100. 91 C

ATOM 2987 CB TYR B 165 -26.397 -5.895 27. 907 1.00100. 52 C

ATOM 2988 CG TYR B 165 -26.072 -7.195 27. 187 1.00100. 04 C

ATOM 2989 CD1 TYR B 165 -26.483 -8.433 27. 703 1.00 99. 55 C

ATOM 2990 CE1 TYR B 165 -26.172 -9.642 27. 028 1.00 99. 28 C

ATOM 2991 CZ TYR B 165 -25.448 -9.603 25. 829 1.00 99. 13 C

ATOM 2992 OH TYR B 165 -25.133 -10.755 25. 147 1.00 98. 46 O ATOM 2993 CE2 TYR B 165 -25.040 -8.387 25.304 1.00 99.61 C

ATOM 2994 CD2 TYR B 165 -25.351 -7.191 25.982 1.00100.15 C

ATOM 2995 C TYR B 165 -25.616 -3.761 29.003 1.00 99.62 C

ATOM 2996 or TYR B 165 -25.995 -2.949 28.160 1.00 99.73 O

ATOM 2997 N SER B 166 -25.548 -3.470 30.317 1.00 97.72 N

ATOM 2998 CA SER B 166 -26.094 -2.200 30.888 1.00 95.68 C

ATOM 2999 CB SER B 166 -25.869 -2.120 32.417 1.00 95.85 C

ATOM 3000 OG SER B 166 -25.714 -3.412 33.007 1.00 96.24 O

ATOM 3001 C SER B 166 -25.594 -0.900 30.203 1.00 93.92 C

ATOM 3002 or SER B 166 -24.530 -0.381 30.553 1.00 94.15 0

ATOM 3003 N GLY B 167 -26.375 -0.370 29.251 1.00 91.51 N

ATOM 3004 CA GLY B 167 -25.978 0.809 28.439 1.00 87.76 C

ATOM 3005 C GLY B 167 -25.466 0.491 27.028 1.00 85.12 C

ATOM 3006 or GLY B 167 -24.892 1.363 26.347 1.00 85.22 O

ATOM 3007 N GLN B 168 -25.672 -0.764 26.601 1.00 82.20 N

ATOM 3008 CA GLN B 168 -25.337 -1.276 25.245 1.00 78.96 C

ATOM 3009 CB GLN B 168 -24.695 -2.683 25.334 1.00 79.88 C

ATOM 3010 CG GLN B 168 -23.171 -2.767 25.357 1.00 81.11 C

ATOM 3011 CD GLN B 168 -22.662 -3.880 24.435 1.00 85.18 C

ATOM 3012 OE1 GLN B 168 -22.711 -3.769 23.195 1.00 86.57 O

ATOM 3013 NE2 GLN B 168 -22.189 -4.973 25.039 1.00 86.59 N

ATOM 3014 C GLN B 168 -26.580 -1.363 24.344 1.00 75.31 C

ATOM 3015 or GLN B 168 -27.543 -2.030 24.685 1.00 74.64 O

ATOM 3016 N GLY B 169 -26.517 -0.703 23.190 1.00 71.73 N

ATOM 3017 CA GLY B 169 -27.668 -0.469 22.291 1.00 66.83 C

ATOM 3018 C GLY B 169 -28.708 0.522 22.821 1.00 62.79 C

ATOM 3019 or GLY B 169 -28.583 1.050 23.943 1.00 62.11 O

ATOM 3020 N VAL B 170 -29.757 0.740 22.020 1.00 58.96 N

ATOM 3021 CA VAL B 170 -30.944 1.523 22.428 1.00 54.33 C

ATOM 3022 CB VAL B 170 -31.734 2.069 21.167 1.00 55.30 C

ATOM 3023 CGI VAL B 170 -32.964 2.899 21.575 1.00 51.51 C

ATOM 3024 CG2 VAL B 170 -30.790 2.874 20.220 1.00 54.55 c

ATOM 3025 C VAL B 170 -31.902 0.769 23.380 1.00 51.67 c

ATOM 3026 or VAL B 170 -32.402 -0.315 23.072 1.00 50.86 0

ATOM 3027 N ASP B 171 -32.159 1.366 24.534 1.00 47.72 N

ATOM 3028 CA ASP B 171 -33.283 0.963 25.368 1.00 45.05 C

ATOM 3029 CB ASP B 171 -32.904 1.098 26.843 1.00 44.77 C

ATOM 3030 CG ASP B 171 -33.931 0.495 27.750 1.00 45.95 C

ATOM 3031 ODl ASP B 171 -35.034 0.205 27.240 1.00 46.48 O

ATOM 3032 OD2 ASP B 171 -33.677 0.329 28.964 1.00 45.87 O

ATOM 3033 C ASP B 171 -34.689 1.598 24.947 1.00 42.37 c ATOM 3034 or ASP B 171 -35.135 2.659 25.444 1.00 41.58 o

ATOM 3035 N GLN B 172 -35. 351 0.918 23. 986 1.00 39. 59 N

ATOM 3036 CA GLN B 172 -36. 611 1.312 23. 412 1.00 35. 54 C

ATOM 3037 CB GLN B 172 -37. 147 0.279 22. 471 1.00 35. 49 C

ATOM 3038 CG GLN B 172 -36. 415 0.081 21. 225 1.00 31. 81 C

ATOM 3039 CD GLN B 172 -37. 227 -0.806 20. 265 1.00 35. 20 C

ATOM 3040 OEl GLN B 172 -37. 950 -0.314 19. 436 1.00 36. 75 o

ATOM 3041 NE2 GLN B 172 -37. 082 -2.117 20. 383 1.00 35. 28 N

ATOM 3042 C GLN B 172 -37. 651 1.490 24. 437 1.00 35. 63 C

ATOM 3043 or GLN B 172 -3£ .436 2.433 24 .362 1.00 3^' .80 o

ATOM 3044 N LEU B 173 -37. 670 0.643 25. 431 1.00 33. 48 N

ATOM 3045 CA LEU B 173 -38. 650 0.788 26. 459 1.00 34. 15 C

ATOM 3046 CB LEU B 173 -38. 842 -0.569 27. 191 1.00 30. 54 C

ATOM 3047 CG LEU B 173 -39. 744 -0.627 28. 423 1.00 30. 91 C

ATOM 3048 CD1 LEU B 173 -41. 296 -0.366 28. 217 1.00 28. 34 C TOM 3049 CD2 LEU B 173 -39. 501 -2.027 29. 142 1.00 36. 28 C

ATOM 3050 C LEU B 173 -38. 446 1.969 27. 443 1.00 35. 55 C

ATOM 3051 or LEU B 173 -3S .408 2.680 27 .797 1.0C 3e .01 o

ATOM 3052 N GLN B 174 -37. 220 2.131 27. 968 1.00 38. 26 N

ATOM 3053 CA GLN B 174 -36. 881 3.280 28. 850 1.00 39. 36 C

ATOM 3054 CB GLN B 174 -35. 433 3.124 29. 411 1.00 40. 93 C

ATOM 3055 CG GLN B 174 -35. 073 3.729 30. 806 1.00 40. 28 C

ATOM 3056 CD GLN B 174 -36. 224 4.107 31. 699 1.00 44. 74 C

ATOM 3057 OEl GLN B 174 -36. 773 3.304 32. 484 1.00 51. 78 o

ATOM 3058 NE2 GLN B 174 -36. 542 5.363 31. 673 1.00 43. 80 N

ATOM 3059 C GLN B 174 -37. 044 4.544 27. 991 1.00 38. 17 C

ATOM 3060 or GLN Έ 174 -37 .593 5.538 28 .426 1.00 39 .73 o TOM 3061 N ARG B 175 -36. 645 4.479 26. 736 1.00 36. 16 N

ATOM 3062 CA ARG B 175 -36. 892 5.631 25. 891 1.00 35. 18 C

ATOM 3063 CB ARG B 175 -36. 226 5.375 24. 595 1.00 34. 31 C TOM 3064 CG ARG B 175 -36. 604 6.314 23. 607 1.00 36. 50 c TOM 3065 CD ARG B 175 -35. 551 6.484 22. 542 1.00 41. 40 c

ATOM 3066 NE ARG B 175 -35. 807 5.782 21. 282 1.00 45. 01 N TOM 3067 CZ ARG B 175 -34. 867 5.613 20. 343 1.00 46. 48 C TOM 3068 NHl ARG B 175 -33. 629 6.062 20. 493 1.00 46. 60 N

ATOM 3069 NH2 ARG B 175 -35. 158 4.980 19. 249 1.00 47. 45 N

ATOM 3070 C ARG B 175 -38. 392 6.051 25. 703 1.00 37. 76 C

ATOM 3071 or ARG E 175 -38 .727 7.299 25 .681 1.00 38 .75 o

ATOM 3072 N VAL B 176 -39. 325 5.063 25. 626 1.00 34. 66 N

ATOM 3073 CA VAL B 176 -40. 778 5.366 25. 678 1.00 31. 53 C

ATOM 3074 CB VAL B 176 -41. 628 4.019 25. 398 1.00 31. 63 C ATOM 3075 CGI VAL B 176 -43.054 4.096 25.880 1.00 28.08 C

ATOM 3076 CG2 VAL B 176 -41.481 3.645 23.929 1.00 23.90 C

ATOM 3077 C VAL B 176 -41.212 6.023 26.997 1.00 32.31 C

ATOM 3078 or VAL B 176 -41.949 6.994 27.033 1.00 31.46 O

ATOM 3079 N ILE B 177 -40.811 5.440 28.099 1.00 33.31 N

ATOM 3080 CA ILE B 177 -41.209 5.978 29.374 1.00 35.22 C

ATOM 3081 CB ILE B 177 -40.680 5.059 30.498 1.00 34.67 C

ATOM 3082 CGI ILE B 177 -41.279 3.629 30.370 1.00 34.58 C

ATOM 3083 CD1 ILE B 177 -40.570 2.477 31.169 1.00 32.44 C

ATOM 3084 CG2 ILE B 177 -40.917 5.721 31.924 1.00 34.69 C

ATOM 3085 C ILE B 177 -40.702 7.504 29.582 1.00 37.64 c

ATOM 3086 or ILE B 177 -41.470 8.366 30.021 1.00 38.47 0

ATOM 3087 N ASP B 178 -39.419 7.756 29.275 1.00 37.49 N

ATOM 3088 CA ASP B 178 -38.776 9.071 29.343 1.00 36.91 C

ATOM 3089 CB ASP B 178 -37.334 8.960 28.885 1.00 35.88 C

ATOM 3090 CG ASP B 178 -36.494 8.183 29.850 1.00 36.25 C

ATOM 3091 OD1 ASP B 178 -36.984 7.944 31.004 1.00 34.59 O

ATOM 3092 OD2 ASP B 178 -35.355 7.862 29.442 1.00 38.17 O

ATOM 3093 C ASP B 178 -39.456 10.042 28.426 1.00 37.73 C

ATOM 3094 or ASP B 178 -39.772 11.133 28.870 1.00 39.23 o

ATOM 3095 N THR B 179 -39.686 9.684 27.150 1.00 37.49 N

ATOM 3096 CA THR B 179 -40.414 10.582 26.263 1.00 35.29 C

ATOM 3097 CB THR B 179 -40.500 10.054 24.887 1.00 34.79 C

ATOM 3098 OG1 THR B 179 -39.190 9.806 24.411 1.00 36.18 O

ATOM 3099 CG2 THR B 179 -41.125 11.016 23.936 1.00 31.80 C

ATOM 3100 C THR B 179 -41.787 10.934 26.770 1.00 37.21 C

ATOM 3101 or THR B 179 -42.295 12.007 26.491 1.00 39.12 0

ATOM 3102 N ILE B 180 -42.432 10.031 27.490 1.00 37.92 N

ATOM 3103 CA ILE B 180 -43.780 10.325 27.990 1.00 37.72 C

ATOM 3104 CB ILE B 180 -44.455 9.019 28.601 1.00 36.46 C

ATOM 3105 CGI ILE B 180 -45.076 8.163 27.484 1.00 38.34 C

ATOM 3106 CD1 ILE B 180 -45.512 6.677 27.995 1.00 36.44 c

ATOM 3107 CG2 ILE B 180 -45.454 9.376 29.683 1.00 33.66 c

ATOM 3108 C ILE B 180 -43.686 11.365 29.102 1.00 38.73 c

ATOM 3109 or ILE B 180 -44.601 12.141 29.337 1.00 37.65 0

ATOM 3110 N LYS B 181 -42.621 11.230 29.884 1.00 40.42 N

ATOM 3111 CA LYS B 181 -42.325 12.150 30.943 1.00 43.43 C

ATOM 3112 CB LYS B 181 -41.295 11.516 31.855 1.00 44.24 c

ATOM 3113 CG LYS B 181 -41.789 10.466 32.893 1.00 47.08 c

ATOM 3114 CD LYS B 181 -40.520 9.880 33.541 1.00 50.64 c

ATOM 3115 CE LYS B 181 -40.753 8.628 34.330 1.00 52.42 c ATOM 3116 NZ LYS B 181 -40.985 8.899 35.775 1.00 56.34 N

ATOM 3117 C LYS B 181 -41.848 13.554 30.367 1.00 43.71 C

ATOM 3118 or LYS B 181 -42.411 14.563 30.689 1.00 45.43 o

ATOM 3119 N THR B 182 -40.924 13.577 29.418 1.00 43.16 N

ATOM 3120 CA THR B 182 -40.398 14.791 28.905 1.00 40.84 C

ATOM 3121 CB THR B 182 -38.985 14.608 28.404 1.00 41.84 C

ATOM 3122 OGl THR B 182 -38.921 13.746 27.246 1.00 37.07 o

ATOM 3123 CG2 THR B 182 -38.036 14.183 29.569 1.00 41.71 c

ATOM 3124 C THR B 182 -41.219 15.499 27.828 1.00 41.44 c

ATOM 3125 or THR B 182 -41.126 16.744 27.739 1.00 41.75 o

ATOM 3126 N ASN B 183 -41.947 14.750 26.970 1.00 38.26 N

ATOM 3127 CA ASN B 183 -42.826 15.344 26.008 1.00 34.95 c

ATOM 3128 CB ASN B 183 -42.031 15.717 24.768 1.00 33.42 C TOM 3129 CG ASN B 183 -42.836 16.575 23.798 1.00 31.88 C

ATOM 3130 ODl ASN B 183 -43.833 17.155 24.185 1.00 38.75 o

ATOM 3131 ND2 ASN B 183 -42.484 16.561 22.541 1.00 27.58 N

ATOM 3132 C ASN B 183 -44.057 14.460 25.627 1.00 35.68 C

ATOM 3133 or ASN B 183 -44.083 13.819 24.555 1.00 36.26 o

ATOM 3134 N PRO B 184 -45.126 14.488 26.444 1.00 37.37 N

ATOM 3135 CA PRO B 184 -46.405 13.706 26.188 1.00 36.91 C

ATOM 3136 CB PRO B 184 -47.279 14.021 27.417 1.00 38.42 C

ATOM 3137 CG PRO B 184 -46.699 15.380 27.952 1.00 37.15 C

ATOM 3138 CD PRO B 184 -45.172 15.166 27.766 1.00 36.69 C

ATOM 3139 C PRO B 184 -47.155 13.879 24.889 1.00 37.02 c

ATOM 3140 or PRO B 184 -47.950 12.974 24.452 1.00 37.84 o

ATOM 3141 N ASP B 185 -46.886 14.967 24.202 1.00 35.69 N

ATOM 3142 CA ASP B 185 -47.537 15.197 22.953 1.00 33.28 C

ATOM 3143 CB ASP B 185 -47.529 16.697 22.630 1.00 36.56 C

ATOM 3144 CG ASP B 185 -48.465 17.555 23.570 1.00 42.93 C

ATOM 3145 ODl ASP B 185 -49.513 17.066 24.055 1.00 43.30 o

ATOM 3146 OD2 ASP B 185 -48.128 18.748 23.783 1.00 50.06 o

ATOM 3147 C ASP B 185 -46.778 14.527 21.847 1.00 32.40 c

ATOM 3148 or ASP B 185 -47.244 14.515 20.709 1.00 30.37 o

ATOM 3149 N ASP B 186 -45.558 14.064 22.106 1.00 30.91 N

ATOM 3150 CA ASP B 186 -44.772 13.464 21.043 1.00 31.55 C

ATOM 3151 CB ASP B 186 -43.463 12.998 21.694 1.00 33.81 C

ATOM 3152 CG ASP B 186 -42.338 12.766 20.688 1.00 36.12 C

ATOM 3153 ODl ASP B 186 -42.549 12.331 19.572 1.00 41.31 o

ATOM 3154 OD2 ASP B 186 -41.186 13.029 21.030 1.00 51.71 o

ATOM 3155 C ASP B 186 -45.549 12.330 20.217 1.00 31.91 C

ATOM 3156 or ASP B 186 -46.407 11.568 20.744 1.00 31.55 o ATOM 3157 N ARG B 187 -45.,372 12.374 18.909 1..00 30.52 N

ATOM 3158 CA ARG B 187 -46. 023 11. 517 18. 003 1. 00 31. 25 C

ATOM 3159 CB ARG B 187 -46. 497 12. 283 16. 720 1. .00 31. 28 C

ATOM 3160 CG ARG B 187 -47. 594 13. 433 16. 973 1. 00 29. 83 C

ATOM 3161 CD ARG B 187 -47. 524 14. 445 15. 843 1. 00 30. 74 C

ATOM 3162 NE ARG B 187 -48. 587 15. 410 15. 932 1. 00 28. 47 N

ATOM 3163 CZ ARG B 187 -48. 980 16. 170 14. 941 1. 00 23. 33 C

ATOM 3164 NH1 ARG B 187 -50. 060 16. 946 15. 081 1. 00 30. 60 N

ATOM 3165 NH2 ARG B 187 -48. 360 16. 148 13. 809 1. 00 27. 43 N

ATOM 3166 C ARG B 187 -45. 073 10. 354 17. 624 1. 00 31. 94 C

ATOM 3167 or ARG B 187 -45.387 c 1.663 16.687 1.0C 1 3C 1.97 O

ATOM 3168 N ARG B 188 -43. 936 10. 195 18. 339 1. 00 31. 02 N

ATOM 3169 CA ARG B 188 -42. 943 9. 234 17. 993 1. 00 32. 80 C

ATOM 3170 CB ARG B 188 -41. 619 9. 944 17. 623 1. 00 32. 63 C

ATOM 3171 CG ARG B 188 -41. 810 11. 018 16. 508 1. 00 37. 04 C

ATOM 3172 CD ARG B 188 -40. 572 11. 902 16. 285 1. 00 33. 33 C

ATOM 3173 NE ARG B 188 -40. 300 12. 614 17. 522 1. 00 38. 76 N

ATOM 3174 CZ ARG B 188 -39. 499 13. 676 17. 661 1. 00 36. 31 C

ATOM 3175 NH1 ARG B 188 -38. 848 14. 200 16. 638 1. 00 35. 22 N

ATOM 3176 NH2 ARG B 188 -39. 365 14. 178 18. 830 1. 00 33. 87 N

ATOM 3177 C ARG B 188 -42. 683 8. 246 19. 104 1. 00 31. 25 C

ATOM 3178 or ARG B 188 -41 .634 7 .712 IS 1.162 1 ..00 1 30 1.75 O

ATOM 3179 N ILE B 189 -43. 604 8. 065 20. 021 1. 00 32. 06 N

ATOM 3180 CA ILE B 189 -43. 375 7. 220 21. 128 1. 00 32. 52 C

ATOM 3181 CB ILE B 189 -44. 212 7. 632 22. 314 1. 00 34. 04 C

ATOM 3182 CGI ILE B 189 -44. 302 9. 187 22. 498 1. 00 32. 97 C

ATOM 3183 CD1 ILE B 189 -45. 079 9. 639 23. 779 1. 00 31. 47 C

ATOM 3184 CG2 ILE B 189 -43. 769 6. 845 23. 549 1. 00 29. 27 C

ATOM 3185 C ILE B 189 -43. 684 5. 719 20. 730 1. 00 34. 70 C

ATOM 3186 or ILE B 189 -44 .678 5.150 21 .149 1 .00 1 33 ;.14 O

ATOM 3187 N ILE B 190 -42. 732 5. 126 20. 010 1. 00 34. 54 N

ATOM 3188 CA ILE B 190 -42. 847 3. 919 19. 201 1. 00 36. 54 C

ATOM 3189 CB ILE B 190 -42. 739 4. 262 17. 738 1. 00 35. 46 C

ATOM 3190 CGI ILE B 190 -43. 978 5. 085 17. 310 1. 00 32. 90 C

ATOM 3191 CD1 ILE B 190 -43. 873 5. 725 16. 067 1. 00 25. 96 C

ATOM 3192 CG2 ILE B 190 -42. 559 3. 027 16. 861 1. 00 34. 33 C

ATOM 3193 C ILE B 190 -41. 751 2. 878 19. 622 1. 00 38. 51 C

ATOM 3194 or ILE B 190 -40 1.565 3 .206 19 1.753 1 .00 1 38 .60 O

ATOM 3195 N MET B 191 -42. 175 1. 638 19. 877 1. 00 38. 47 N

ATOM 3196 CA MET B 191 -41. 264 0. 559 20. 334 1. 00 39. 32 C

ATOM 3197 CB MET B 191 -41. 602 0. 248 21. 791 1. 00 37. 42 C ATOM 3198 CG MET B 191 -40.559 -0.434 22.486 1.00 40.73 C

ATOM 3199 SD MET B 191 -41. 082 -1.269 23.921 1. 00 48.32 S

ATOM 3200 CE MET B 191 -42. 489 -0.244 24.242 1. 00 39.67 C

ATOM 3201 C MET B 191 -41. 542 -0.615 19.373 1. 00 38.59 C

ATOM 3202 or MET B 191 -42.739 -0.948 19.116 1 .00 37.92 o

ATOM 3203 N CYS B 192 -40. 497 -1.175 18.750 1. 00 38.42 N

ATOM 3204 CA CYS B 192 -40. 672 -2.330 17.806 1. 00 39.00 C

ATOM 3205 CB CYS B 192 -40. 119 -2.114 16.436 1. 00 37.96 C

ATOM 3206 SG CYS B 192 -40. 658 -0.601 15.549 1. 00 44.69 s

ATOM 3207 C CYS B 192 -40. 163 -3.649 18.352 1. 00 39.02 c

ATOM 3208 or CYS B 192 -39 .267 -3.652 19.203 1 -0C 38.73 o

ATOM 3209 N ALA B 193 -40. 821 -4.750 17.926 1. 00 39.00 N

ATOM 3210 CA ALA B 193 -40. 398 -6.162 18.240 1. 00 36.94 c

ATOM 3211 CB ALA B 193 -41. 315 -6.794 19.257 1. 00 36.18 c

ATOM 3212 C ALA B 193 -40. 209 -6.995 16.953 1. 00 36.92 c

ATOM 3213 or ALA B 193 -4C .852 -6.768 15.917 1 . oc 38.02 o

ATOM 3214 N TRP B 194 -39. 198 -7.848 16.945 1. 00 37.03 N

ATOM 3215 CA TRP B 194 -38. 831 -8.589 15.728 1. 00 37.16 C

ATOM 3216 CB TRP B 194 -37. 377 -8.382 15.304 1. 00 36.39 C

ATOM 3217 CG TRP B 194 -37. 104 -7.109 14.562 1. 00 33.25 C

ATOM 3218 CD1 TRP B 194 -36. 985 -6.968 13.251 1. 00 30.66 C

ATOM 3219 NE1 TRP B 194 -36. 740 -5.637 12.939 1. 00 33.43 N

ATOM 3220 CE2 TRP B 194 -36. 767 -4.904 14.092 1. 00 31.03 C

ATOM 3221 CD2 TRP B 194 -36. 937 -5.800 15.140 1. 00 30.61 c

ATOM 3222 CE3 TRP B 194 -36. 994 -5.312 16.448 1. 00 31.10 c

ATOM 3223 CZ3 TRP B 194 -36. 785 -3.944 16.660 1. 00 33.75 c

ATOM 3224 CH2 TRP B 194 -36. 573 -3.062 15.574 1. 00 32.85 c

ATOM 3225 CZ2 TRP B 194 -36. 575 -3.516 14.289 1. 00 34.64 c

ATOM 3226 C TRP B 194 -39. 069 - 10.084 16.034 1. 00 38.47 c

ATOM 3227 or TRP E 194 -38 .986 -10.527 17.205 1 .00 37.14 o

ATOM 3228 N ASN B 195 -39. 443 - 10.818 14.988 1. 00 39.85 N

ATOM 3229 CA ASN B 195 -39. 387 - 12.275 15.034 1. 00 41.41 C

ATOM 3230 CB ASN B 195 -40. 164 - 12.865 13.829 1. 00 42.62 C

ATOM 3231 CG ASN B 195 -40. 454 - 14.385 13.973 1. 00 44.76 C

ATOM 3232 ODl ASN B 195 -39. 680 - 15.119 14.566 1. 00 50.76 o

ATOM 3233 ND2 ASN B 195 -41. 544 - 14.842 13.392 1. 00 42.77 N

ATOM 3234 C ASN B 195 -37. 898 - 12.629 15.023 1. 00 41.45 C

ATOM 3235 or ASN E 195 -37 .172 -12.219 14.123 1 .00 41.48 o

ATOM 3236 N PRO B 196 -37. 399 - 13.335 16.053 1. 00 43.35 N

ATOM 3237 CA PRO B 196 -35. 927 - 13.686 16.002 1. 00 44.56 C

ATOM 3238 CB PRO B 196 -35. 665 - 14.442 17.308 1. 00 45.58 C ATOM 3239 CG PRO B 196 -37.032 -14.975 17.729 1.00 46.98 C

ATOM 3240 CD PRO B 196 -38.041 -13.831 17. 282 1.00 43.40 C

ATOM 3241 C PRO B 196 -35.432 -14.475 14. 790 1.00 45.02 C

ATOM 3242 or PRO B 196 -34.267 -14.293 14 .407 1.00 46.95 O

ATOM 3243 N ARG B 197 -36.296 -15.219 14. 095 1.00 45.40 N

ATOM 3244 CA ARG B 197 -35.914 -15.843 12. 820 1.00 45.55 C

ATOM 3245 CB ARG B 197 -37.053 -16.552 12. 083 1.00 46.52 C

ATOM 3246 CG ARG B 197 -38.171 -17.164 12. 843 1.00 50.81 C

ATOM 3247 CD ARG B 197 -39.210 -17.620 11. 757 1.00 56.78 C

ATOM 3248 NE ARG B 197 -38.566 -18.433 10. 718 1.00 57.88 N

ATOM 3249 CZ ARG B 197 -38.514 -18.161 9. 413 1.00 61.93 C

ATOM 3250 NHl ARG B 197 -39.099 -17.085 8. 883 1.00 64.04 N

ATOM 3251 NH2 ARG B 197 -37.874 -19.002 8. 601 1.00 65.22 N

ATOM 3252 C ARG B 197 -35.476 -14.906 11. 762 1.00 46.16 C

ATOM 3253 or ARG B 197 -34.721 -15.304 1C .831 1.00 46.02 O

ATOM 3254 N ASP B 198 -36.056 -13.703 11. 760 1.00 46.36 N

ATOM 3255 CA ASP B 198 -35.743 -12.765 10. 684 1.00 45.71 C

ATOM 3256 CB ASP B 198 -36.829 -11.674 10. 625 1.00 45.80 C

ATOM 3257 CG ASP B 198 -38.229 -12.240 10. 333 1.00 42.86 C

ATOM 3258 OD1 ASP B 198 -38.342 -13.211 9. 567 1.00 44.73 O

ATOM 3259 OD2 ASP B 198 -39.214 -11.711 10. 892 1.00 38.84 O

ATOM 3260 C ASP B 198 -34.379 -12.113 10. 855 1.00 46.12 C

ATOM 3261 or ASP B 198 -33.856 -11.548 s .922 1.00 45.44 O

ATOM 3262 N LEU B 199 -33.842 -12.118 12. 066 1.00 48.28 N

ATOM 3263 CA LEU B 199 -32.623 -11.310 12. 354 1.00 51.48 C

ATOM 3264 CB LEU B 199 -32.359 -11.264 13. 858 1.00 50.43 C

ATOM 3265 CG LEU B 199 -33.485 -10.569 14. 625 1.00 49.20 C

ATOM 3266 CD1 LEU B 199 -33.059 -10.288 16. 018 1.00 48.02 C

ATOM 3267 CD2 LEU B 199 -33.843 -9.269 13. 988 1.00 49.32 C

ATOM 3268 C LEU B 199 -31.390 -11.764 11. 522 1.00 52.86 c

ATOM 3269 or LEU B 199 -30.814 -10.953 10 .783 1.00 52.87 0

ATOM 3270 N PRO B 200 -31.053 -13.077 11. 565 1.00 55.25 N

ATOM 3271 CA PRO B 200 -29.999 -13.586 10. 660 1.00 57.08 C

ATOM 3272 CB PRO B 200 -29.873 -15.062 11. 050 1.00 57.11 C

ATOM 3273 CG PRO B 200 -31.106 -15.406 11. 894 1.00 56.41 C

ATOM 3274 CD PRO B 200 -31.589 -14.126 12. 470 1.00 55.16 C

ATOM 3275 C PRO B 200 -30.290 -13.445 9. 141 1.00 59.63 C

ATOM 3276 or PRO B 200 -29.328 -13.489 8 .331 1.00 59.99 O

ATOM 3277 N LEU B 201 -31.571 -13.211 8. 758 1.00 60.84 N

ATOM 3278 CA LEU B 201 -32.040 -13.392 7. 371 1.00 61.25 C

ATOM 3279 CB LEU B 201 -33.522 -13.790 7. 331 1.00 62.23 C ATOM 3280 CG LEU B 201 -33.712 -15.298 7.127 1.00 63.17 C

ATOM 3281 CD1 LEU B 201 -34.140 -16.133 8.454 1.00 61.84 C

ATOM 3282 CD2 LEU B 201 -34.592 -15.603 5.871 1.00 63.12 C

ATOM 3283 C LEU B 201 -31.805 -12.300 6.349 1.00 61.60 C

ATOM 3284 or LEU B 201 -31.774 -12.600 5.139 1.00 61.55 o

ATOM 3285 N MET B 202 -31.647 -11.050 6.801 1.00 61.79 N

ATOM 3286 CA MET B 202 -31.467 -9.897 5.883 1.00 62.83 C

ATOM 3287 CB MET B 202 -32.780 -9.534 5.132 1.00 63.34 C

ATOM 3288 CG MET B 202 -34.089 -9.466 6.027 1.00 65.01 C

ATOM 3289 SD MET B 202 -35.544 -8.891 5.060 1.00 68.05 S

ATOM 3290 CE MET B 202 -36.561 -10.409 4.996 1.00 66.81 C

ATOM 3291 C MET B 202 -30.968 -8.686 6.630 1.00 60.82 C

ATOM 3292 or MET B 202 -31.031 -8.670 7.851 1.00 61.82 o

ATOM 3293 N ALA B 203 -30.460 -7.692 5.894 1.00 58.99 N

ATOM 3294 CA ALA B 203 -30.143 -6.373 6.444 1.00 57.55 C

ATOM 3295 CB ALA B 203 -29.193 -5.635 5.482 1.00 56.69 C

ATOM 3296 C ALA B 203 -31.468 -5.574 6.635 1.00 56.25 C

ATOM 3297 or ALA B 203 -32.391 -5.734 5.831 1.00 56.77 o

ATOM 3298 N LEU B 204 -31.566 -4.714 7.653 1.00 54.52 N

ATOM 3299 CA LEU B 204 -32.814 -3.991 7.900 1.00 52.88 C

ATOM 3300 CB LEU B 204 -32.942 -2.838 6.863 1.00 53.21 C

ATOM 3301 CG LEU B 204 -33.640 -1.436 6.909 1.00 54.99 C

ATOM 3302 CD1 LEU B 204 -35.083 -1.367 6.364 1.00 53.68 C

ATOM 3303 CD2 LEU B 204 -33.507 -0.704 8.257 1.00 55.83 C

ATOM 3304 C LEU B 204 -34.030 -4.976 7.815 1.00 51.08 C

ATOM 3305 or LEU B 204 -34.889 -4.810 6.949 1.00 50.13 o

ATOM 3306 N PRO B 205 -34.083 -6.020 8.688 1.00 49.97 N

ATOM 3307 CA PRO B 205 -35.262 -6.910 8.673 1.00 48.07 C

ATOM 3308 CB PRO B 205 -34.870 -8.031 9.657 1.00 46.78 C

ATOM 3309 CG PRO B 205 -33.891 -7.407 10.569 1.00 46.66 C

ATOM 3310 CD PRO B 205 -33.117 -6.450 9.732 1.00 49.86 C

ATOM 3311 C PRO B 205 -36.489 -6.187 9.229 1.00 46.62 C

ATOM 3312 or PRO B 205 -36.399 -5.473 10.252 1.00 44.77 o

ATOM 3313 N PRO B 206 -37.631 -6.385 8.577 1.00 45.49 N

ATOM 3314 CA PRO B 206 -38.833 -5.788 9.154 1.00 44.08 C

ATOM 3315 CB PRO B 206 -39.898 -5.873 8.001 1.00 46.24 C

ATOM 3316 CG PRO B 206 -39.442 -6.964 7.126 1.00 44.74 C

ATOM 3317 CD PRO B 206 -37.883 -7.003 7.261 1.00 46.25 C

ATOM 3318 C PRO B 206 -39.276 -6.359 10.459 1.00 40.84 C

ATOM 3319 or PRO B 206 -39.137 -7.565 10.779 1.00 41.76 o

ATOM 3320 N CYS B 207 -39.766 -5.454 11.268 1.00 38.08 N ATOM 3321 CA CYS B 207 -40.231 -5.817 12.582 1.00 36.32 C

ATOM 3322 CB CYS B 207 -40.451 -4.567 13.441 1.00 37. 63 C

ATOM 3323 SG CYS B 207 -42.194 -3.760 13.327 1.00 45. 81 S

ATOM 3324 C CYS B 207 -41.500 -6.645 12.408 1.00 32. 97 C

ATOM 3325 or CYS B 207 -42.063 -6.688 11.359 1.0C 29.19 o

ATOM 3326 N HIS B 208 -41.898 -7.333 13.456 1.00 34. 57 N

ATOM 3327 CA HIS B 208 -43.095 -8.136 13.473 1.00 35. 53 C

ATOM 3328 CB HIS B 208 -42.945 -9.369 14.448 1.00 34. 30 C

ATOM 3329 CG HIS B 208 -4 .252 -10.105 14.627 1.00 41. 74 C

ATOM 3330 ND1 HIS B 208 -45.088 -9.903 15.729 1.00 47. 22 N

ATOM 3331 CE1 HIS B 208 -46.207 -10.604 15.556 1.00 47. 03 C

ATOM 3332 NE2 HIS B 208 -46.153 -11.217 14.378 1.00 44. 27 N

ATOM 3333 CD2 HIS B 208 -44.948 -10.917 13.770 1.00 40. 77 C

ATOM 3334 C HIS B 208 -44.249 -7.198 13.992 1.00 34. 88 C

ATOM 3335 or HIS B 208 -45.344 -7.190 13.497 1.00 34 .61 o

ATOM 3336 N ALA B 209 -43.957 -6.490 15.074 1.00 34. 86 N

ATOM 3337 CA ALA B 209 -44.929 -5.698 15.796 1.00 36. 71 C

ATOM 3338 CB ALA B 209 -45.206 -6.278 17.208 1.00 34. 48 C

ATOM 3339 C ALA B 209 -44.360 -4.237 15.936 1.00 37. 05 C

ATOM 3340 or ALA B 209 -43.179 -4.030 16.268 1.00 35.88 o

ATOM 3341 N LEU B 210 -45.222 -3.247 15.685 1.00 36. 34 N

ATOM 3342 CA LEU B 210 -44.901 -1.916 16.251 1.00 34. 15 C

ATOM 3343 CB LEU B 210 -44.474 -0.960 15.159 1.00 34. 33 C

ATOM 3344 CG LEU B 210 -45.340 0.101 14.516 1.00 39. 25 C

ATOM 3345 CD1 LEU B 210 -45.774 1.240 15.508 1.00 28. 12 C

ATOM 3346 CD2 LEU B 210 -44.388 0.649 13.510 1.00 41. 40 C

ATOM 3347 C LEU B 210 -45.973 -1.429 17.209 1.00 32. 22 C

ATOM 3348 or LEU B 210 -47.160 -1.618 17.047 1.00 32 .43 o

ATOM 3349 N CYS B 211 -45.509 -0.840 18.278 1.00 32. 16 N

ATOM 3350 CA CYS B 211 -46.286 -0.376 19.383 1.00 32. 81 C

ATOM 3351 CB CYS B 211 -45.709 -1.148 20.531 1.00 31. 90 C

ATOM 3352 SG CYS B 211 -46.275 -0.830 22.005 1.00 39. 93 S

ATOM 3353 C CYS B 211 -46.118 1.225 19.535 1.00 34. 25 C

ATOM 3354 or CYS B 211 -44.993 1.731 19.736 1.00 34 .23 o

ATOM 3355 N GLN B 212 -47.210 1.993 19.364 1.00 32. 26 N

ATOM 3356 CA GLN B 212 -47.163 3.495 19.421 1.00 29. 96 C

ATOM 3357 CB GLN B 212 -47.685 4.114 18.097 1.00 30. 50 C

ATOM 3358 CG GLN B 212 -47.790 5.693 18.188 1.00 28. 88 C

ATOM 3359 CD GLN B 212 -48.285 6.365 17.002 1.00 27. 73 C

ATOM 3360 OEl GLN B 212 -48.697 5.740 16.033 1.00 22. 49 o

ATOM 3361 NE2 GLN B 212 -48.171 7.747 16.998 1.00 30. 58 N ATOM 3362 C GLN B 212 -47.962 3.924 20.670 1.00 29.90 C

ATOM 3363 or GLN B 212 -49.071 3.425 20.871 1.00 29.64 o

ATOM 3364 N PHE B 213 -47. 361 4. 670 21.627 1 .00 28. 21 N

ATOM 3365 CA PHE B 213 -48. 134 5. 172 22.739 1 .00 27. 98 C

ATOM 3366 CB PHE B 213 -47. 375 5. 078 24.061 1 .00 29. 39 C

ATOM 3367 CG PHE B 213 -47. 020 3. 641 24.459 1 .00 30. 05 C

ATOM 3368 CD1 PHE B 213 -47. 846 2. 909 25.299 1 .00 29. 82 C

ATOM 3369 CE1 PHE B 213 -47. 520 1. 544 25.657 1 .00 28. 40 C

ATOM 3370 CZ PHE B 213 -46. 399 0. 970 25.116 1 .00 30. 48 C

ATOM 3371 CE2 PHE B 213 -45. 596 1. 667 24.219 1 .00 27. 26 C

ATOM 3372 CD2 PHE B 213 -45. 943 3. 013 23.885 1 .00 29. 64 C

ATOM 3373 C PHE B 213 -48. 621 6. 584 22.453 1 .00 29. 89 C

ATOM 3374 or PHE B 213 -4E .240 7 .176 21.457 1.0C 29 .90 o

ATOM 3375 N TYR B 214 -49. 528 7. 100 23.267 1 .00 29. 82 N

ATOM 3376 CA TYR B 214 -50. 137 8. 339 22.981 1 .00 31. 34 C

ATOM 3377 CB TYR B 214 -51. 174 8. 149 21.906 1 .00 32. 10 C

ATOM 3378 CG TYR B 214 -52. 167 9. 282 21.660 1 .00 28. 09 C

ATOM 3379 CD1 TYR B 214 -52. 020 10. 135 20.591 1 .00 28. 30 C

ATOM 3380 CE1 TYR B 214 -52. 979 11. 122 20.326 1 .00 28. 87 C

ATOM 3381 CZ TYR B 214 -54. 068 11. 286 21.194 1 .00 30. 70 C

ATOM 3382 OH TYR B 214 -55. 039 12. 240 20.977 1 .00 31. 00 o

ATOM 3383 CE2 TYR B 214 -54. 202 10. 466 22.282 1 .00 27. 82 c

ATOM 3384 CD2 TYR B 214 -53. 222 9. 482 22.508 1 .00 30. 55 c

ATOM 3385 C TYR B 214 -50. 758 8. 824 24.307 1 .00 33. 70 c

ATOM 3386 or TYR B 214 -51 .298 8 .018 25.074 1.0C 33 .58 o

ATOM 3387 N VAL B 215 -50. 575 10. 128 24.588 1 .00 33. 66 N

ATOM 3388 CA VAL B 215 -51. 020 10. 796 25.841 1 .00 33. 76 C

ATOM 3389 CB VAL B 215 -49. 840 11. 289 26.727 1 .00 32. 69 C

ATOM 3390 CGI VAL B 215 -50. 343 11. 724 28.175 1 .00 30. 42 C

ATOM 3391 CG2 VAL B 215 -48. 756 10. 244 26.862 1 .00 29. 34 C

ATOM 3392 C VAL B 215 -51. 920 12. 009 25.498 1 .00 35. 87 C

ATOM 3393 or VAL B 215 -51 .610 12 .833 24.661 1.00 34 .23 o

ATOM 3394 N VAL B 216 -53. 066 12. 097 26.152 1 .00 38. 94 N

ATOM 3395 CA VAL B 216 -53. 883 13. 328 26.137 1 .00 39. 30 C

ATOM 3396 CB VAL B 216 -54. 730 13. 440 24.859 1 .00 39. 17 C

ATOM 3397 CGI VAL B 216 -56. 004 12. 594 24.962 1 .00 38. 23 C

ATOM 3398 CG2 VAL B 216 -55. 059 14. 956 24.477 1 .00 38. 93 C

ATOM 3399 C VAL B 216 -54. 678 13. 226 27.446 1 .00 41. 69 C

ATOM 3400 or VAL B 216 -55 .029 12 .073 27.881 1.0C 41 .88 o

ATOM 3401 N ASN B 217 -54. 872 14. 379 28.140 1 .00 42. 78 N

ATOM 3402 CA ASN B 217 -55. 711 14. 473 29.336 1 .00 42. 14 C ATOM 3403 CB ASN B 217 -57.171 14.206 29.026 1.00 42.97 C

ATOM 3404 CG ASN B 217 -57.754 15.208 28.085 1.00 46.46 C

ATOM 3405 ODl ASN B 217 -58.654 14.891 27.320 1.00 48.81 o

ATOM 3406 ND2 ASN B 217 -57.245 16.436 28.125 1.00 48.33 N

ATOM 3407 C ASN B 217 -55.341 13.411 30.301 1.00 43.83 C

ATOM 3408 or ASN B 217 -56.208 12.593 30.719 1.00 44.35 o

ATOM 3409 N SER B 218 -54.061 13.361 30.626 1.00 43.34 N

ATOM 3410 CA SER B 218 -53.627 12.463 31.664 1.00 43.82 C

ATOM 3411 CB SER B 218 -54.280 12.946 32.971 1.00 45.67 C

ATOM 3412 OG SER B 218 -53.713 14.222 33.317 1.00 52.76 o

ATOM 3413 C SER B 218 -53.892 10.922 31.430 1.00 42.43 C

ATOM 3414 or SER B 218 -53.771 10.157 32.383 1.00 40.66 o

ATOM 3415 N GLU B 219 -54.282 10.544 30.189 1.00 41.67 N

ATOM 3416 CA GLU B 219 -54.478 9.140 29.727 1.00 40.39 C

ATOM 3417 CB GLU B 219 -55.815 8.955 29.012 1.00 39.00 C

ATOM 3418 CG GLU B 219 -56.911 9.036 30.013 1.00 44.57 C

ATOM 3419 CD GLU B 219 -58.280 8.741 29.428 1.00 52.86 C

ATOM 3420 OEl GLU B 219 -58.520 8.755 28.182 1.00 54.83 o

ATOM 3421 OE2 GLU B 219 -59.122 8.452 30.279 1.00 58.90 o

ATOM 3422 C GLU B 219 -53.438 8.614 28.786 1.00 36.62 C

ATOM 3423 or GLU B 219 -53.187 9.218 27.763 1.00 37.12 o

ATOM 3424 N LEU B 220 -52.956 7.403 29.073 1.00 34.53 N

ATOM 3425 CA LEU B 220 -52.024 6.676 28.176 1.00 31.70 C

ATOM 3426 CB LEU B 220 -50.914 6.048 28.998 1.00 29.35 C

ATOM 3427 CG LEU B 220 -49.839 5.320 28.160 1.00 27.77 C TOM 3428 CD1 LEU B 220 -48.910 6.302 27.458 1.00 23.42 C

ATOM 3429 CD2 LEU B 220 -49.085 4.407 29.044 1.00 18.99 C

ATOM 3430 C LEU B 220 -52.743 5.627 27.302 1.00 31.85 C

ATOM 3431 or LEU B 220 -53.329 4.694 27.824 1.00 33.80 o

ATOM 3432 N SER B 221 -52.693 5.804 25.987 1.00 30.39 N

ATOM 3433 CA SER B 221 -53.202 4.911 25.033 1.00 28.75 C

ATOM 3434 CB SER B 221 -54.113 5.536 24.010 1.00 27.46 C

ATOM 3435 OG SER B 221 -55.346 5.910 24.553 1.00 27.43 o

ATOM 3436 C SER B 221 -52.056 4.184 24.285 1.00 29.98 c

ATOM 3437 or SER B 221 -50.903 4.673 24.248 1.00 25.89 o

ATOM 3438 N CYS B 222 -52.395 3.012 23.678 1.00 28.49 N

ATOM 3439 CA CYS B 222 -51.412 2.171 22.976 1.00 25.95 C

ATOM 3440 CB CYS B 222 -50.962 1.101 24.005 1.00 28.37 C

ATOM 3441 SG CYS B 222 -49.885 -0.158 23.197 1.00 29.24 S

ATOM 3442 C CYS B 222 -52.045 1.588 21.689 1.00 26.79 C

ATOM 3443 or CYS B 222 -53.204 1.114 21.711 1.00 28.51 o ATOM 3444 N GLN B 223 -51 388 1.723 20 543 1.00 24 72 N

ATOM 3445 CA GLN B 223 -51 735 1.032 19 409 1.00 25 43 C TOM 3446 CB GLN B 223 -51 995 1.945 18 224 1.00 24 70 C

ATOM 3447 CG GLN B 223 -52 423 1.270 16 954 1.00 26 57 C

ATOM 3448 CD GLN B 223 -53 014 2.191 15 940 1.00 29. 31 C

ATOM 3449 OEl GLN B 223 -52 852 3.445 15 999 1.00 35. 88 o

ATOM 3450 NE2 GLN B 223 -53. 711 1.629 15. 005 1.00 24. 04 N

ATOM 3451 C GLN B 223 -50. 583 -0.011 19. 065 1.00 28. 45 C

ATOM 3452 or GLN B 223 -49.360 0.321 18.978 1.00 24 .00 o

ATOM 3453 N LEU B 224 -51. 055 -1.266 18. 866 1.00 27. 98 N

ATOM 3454 CA LEU B 224 -50. 227 -2.375 18. 398 1.00 28. 63 C

ATOM 3455 CB LEU B 224 -50. 370 -3.639 19. 302 1.00 28. 75 C

ATOM 3456 CG LEU B 224 -49. 646 -4.900 18. 794 1.00 28. 09 c

ATOM 3457 CD1 LEU B 224 -48. 019 -4.607 18. 864 1.00 19. 68 C

ATOM 3458 CD2 LEU B 224 -50. 204 -6.092 19. 640 1.00 27. 35 c

ATOM 3459 C LEU B 224 -50. 567 -2.639 17. 017 1.00 28. 54 c

ATOM 3460 or LEU B 224 -51 .682 -2.971 16.692 1.00 31 .74 o

ATOM 3461 N TYR B 225 -49. 586 -2.510 16. 143 1.00 29. 26 N

ATOM 3462 CA TYR B 225 -49. 741 -2.943 14. 762 1.00 29. 13 C

ATOM 3463 CB TYR B 225 -49. 194 -1.910 13. 830 1.00 28. 97 C

ATOM 3464 CG TYR B 225 -49. 267 -2.288 12. 404 1.00 29. 17 C

ATOM 3465 CD1 TYR B 225 -48. 310 -3.117 11. 806 1.00 39. 67 C

ATOM 3466 CE1 TYR B 225 -48. 408 -3.485 10. 409 1.00 34. 67 c

ATOM 3467 CZ TYR B 225 -49. 460 -3.026 9. 661 1.00 33. 45 C

ATOM 3468 OH TYR B 225 -49. 600 -3.295 8. 287 1.00 28. 94 o

ATOM 3469 CE2 TYR B 225 -50. 359 -2.196 10. 270 1.00 33. 70 C

ATOM 3470 CD2 TYR B 225 -50. 266 -1.871 11. 647 1.00 29. 92 c

ATOM 3471 C TYR B 225 -48. 926 -4.252 14. 515 1.00 29. 84 c

ATOM 3472 or TYR B 225 -47 .737 -4.265 14 .719 1.00 28 .41 o

ATOM 3473 N GLN B 226 -49. 605 -5.319 14. 030 1.00 30. 52 N

ATOM 3474 CA GLN B 226 -48. 901 -6.636 13. 842 1.00 27. 64 c

ATOM 3475 CB GLN B 226 -49. 589 -7.678 14. 709 1.00 29. 29 c

ATOM 3476 CG GLN B 226 -49. 071 -7.662 15. 988 1.00 28. 45 c

ATOM 3477 CD GLN B 226 -49. 678 -8.692 16. 970 1.00 42. 21 c

ATOM 3478 OEl GLN B 226 -50. 860 -8.976 16. 982 1.00 34. 58 o

ATOM 3479 NE2 GLN B 226 -48. 800 -9.229 17. 852 1.00 52. 05 N

ATOM 3480 C GLN B 226 -48. 962 -6.946 12. 407 1.00 26. 56 C

ATOM 3481 or GLN B 226 -50 .023 -6.882 11 .823 1.00 26 .46 o

ATOM 3482 N ARG B 227 -47. 802 -7.199 11. 761 1.00 25. 36 N

ATOM 3483 CA ARG B 227 -47. 862 -7.530 10. 406 1.00 24. 47 C

ATOM 3484 CB ARG B 227 -46. 452 -7.653 9. 827 1.00 25. 57 C ATOM 3485 CG ARG B 227 -45.611 -8.743 10.484 1.00 28.78 C

ATOM 3486 CD ARG B 227 -44.273 -8.953 9. 722 1.00 29.69 C

ATOM 3487 NE ARG B 227 -43.705 -10.232 10. 161 1.00 33.88 N

ATOM 3488 CZ ARG B 227 -42.420 -10.417 10. 396 1.00 36.14 C

ATOM 3489 NH1 ARG B 227 -41.991 -11.602 10. 806 1.00 37.59 N

ATOM 3490 NH2 ARG B 227 -41.571 -9.411 10. 243 1.00 30.91 N

ATOM 3491 C ARG B 227 -48.713 -8.811 10. 052 1.00 23.09 C

ATOM 3492 or ARG B 227 -49.085 -9.053 ε .853 1.00 21.64 O

ATOM 3493 N SER B 228 -49.004 -9.593 11. 067 1.00 23.40 N

ATOM 3494 CA SER B 228 -49.746 -10.858 10. 837 1.00 29.06 C

ATOM 3495 CB SER B 228 -48.855 -11.990 10. 255 1.00 28.78 C

ATOM 3496 OG SER B 228 -48.285 -12.555 11. 376 1.00 30.79 O

ATOM 3497 C SER B 228 -50.302 -11.232 12. 144 1.00 28.20 C

ATOM 3498 or SER B 228 -49.697 -10.960 13 .183 1.0C 28.65 O

ATOM 3499 N GLY B 229 -51.530 -11.741 12. 143 1.00 26.75 N

ATOM 3500 CA GLY B 229 -52.026 -12.040 13. 466 1.00 25.91 C

ATOM 3501 C GLY B 229 -52.807 -13.350 13. 500 1.00 27.46 C

ATOM 3502 or GLY B 229 -53.747 -13.534 12 .730 1.0C 26.90 O

ATOM 3503 N ASP B 230 -52.453 -14.223 14. 437 1.00 28.50 N

ATOM 3504 CA ASP B 230 -53.128 -15.506 14. 600 1.00 26.87 C

ATOM 3505 CB ASP B 230 -52.087 -16.444 15. 191 1.00 30.75 C

ATOM 3506 CG ASP B 230 -52.591 -17.904 15. 413 1.00 36.16 C

ATOM 3507 OD1 ASP B 230 -53.848 -18.173 15. 555 1.00 36.46 O

ATOM 3508 OD2 ASP B 230 -51.631 -18.772 15. 520 1.00 47.24 O

ATOM 3509 C ASP B 230 -54.380 -15.370 15. 422 1.00 22.85 C

ATOM 3510 or ASP B 230 -54.319 -15.295 16 .640 1.O0 22.11 O

ATOM 3511 N MET B 231 -55.562 -15.360 14. 794 1.00 23.84 N

ATOM 3512 CA MET B 231 -56.730 -14.953 15. 669 1.00 25.62 C

ATOM 3513 CB MET B 231 -57.994 -14.753 14. 789 1.00 23.78 C

ATOM 3514 CG MET B 231 -57.732 -13.679 13. 641 1.00 30.86 C

ATOM 3515 SD MET B 231 -57.679 -12.045 14. 488 1.00 35.00 S

ATOM 3516 CE MET B 231 -59.347 -11.940 15. 159 1.00 30.90 C

ATOM 3517 C MET B 231 -57.045 -15.906 16. 733 1.00 27.50 C

ATOM 3518 or MET B 231 -57.643 -15.536 17 .763 1.00 28.70 O

ATOM 3519 N GLY B 232 -56.789 -17.221 16. 485 1.00 30.27 N

ATOM 3520 CA GLY B 232 -57.234 -18.190 17. 568 1.00 30.79 C

ATOM 3521 C GLY B 232 -56.381 -18.236 18. 787 1.00 30.87 C

ATOM 3522 or GLY B 232 -56.880 -18.301 19 .916 1.00 33.86 O

ATOM 3523 N LEU B 233 -55.079 -18.295 18. 575 1.00 33.14 N

ATOM 3524 CA LEU B 233 -54.100 -18.418 19. 658 1.00 35.08 C

ATOM 3525 CB LEU B 233 -53.075 -19.506 19. 218 1.00 37.63 C ATOM 3526 CG LEU B 233 -52.947 -20.881 19.977 1.00 42.22 C

ATOM 3527 CD1 LEU B 233 -53.987 -21.226 21.089 1.00 42.07 C

ATOM 3528 CD2 LEU B 233 -52.887 -21.984 19.012 1.00 43.43 C

ATOM 3529 C LEU B 233 -53.339 -17.116 20.073 1.00 34.98 C

ATOM 3530 or LEU B 233 -53.366 -16.702 21.259 1.00 34.99 o

ATOM 3531 N GLY B 234 -52.705 -16.474 19.073 1.00 35.30 N

ATOM 3532 CA GLY B 234 -51.755 -15.270 19.270 1.00 34.44 C

ATOM 3533 C GLY B 234 -52.570 -14.077 19.698 1.00 31.41 C

ATOM 3534 or GLY B 234 -52.321 -13.567 20.766 1.00 32.81 o

ATOM 3535 N VAL B 235 -53.636 -13.738 18.945 1.00 30.56 N

ATOM 3536 CA VAL B 235 -54.443 -12.523 19.226 1.00 29.55 C

ATOM 3537 CB VAL B 235 -55.492 -12.200 18.095 1.00 30.02 C

ATOM 3538 CGI VAL B 235 -56.548 -10.987 18.463 1.00 22.11 C

ATOM 3539 CG2 VAL B 235 -54.730 -11.956 16.813 1.00 22.01 C

ATOM 3540 C VAL B 235 -54.926 -12.311 20.631 1.00 31.09 C

ATOM 3541 or VAL B 235 -54.583 -11.278 21.256 1.00 33.01 o

ATOM 3542 N PRO B 236 -55.710 -13.280 21.224 1.00 32.18 N

ATOM 3543 CA PRO B 236 -56.119 -12.947 22.605 1.00 31.00 C

ATOM 3544 CB PRO B 236 -56.925 -14.218 23.055 1.00 32.12 C

ATOM 3545 CG PRO B 236 -57.439 -14.774 21.793 1.00 30.99 C

ATOM 3546 CD PRO B 236 -56.306 -14.553 20.777 1.00 30.16 C

ATOM 3547 C PRO B 236 -55.030 -12.695 23.612 1.00 30.61 C

ATOM 3548 or PRO B 236 -55.184 -11.986 24.652 1.00 27.94 o

ATOM 3549 N PHE B 237 -53.984 -13.434 23.400 1.00 32.84 N

ATOM 3550 CA PHE B 237 -52.842 -13.352 24.278 1.00 35.65 C

ATOM 3551 CB PHE B 237 -51.906 -14.521 23.880 1.00 37.88 C

ATOM 3552 CG PHE B 237 -50.747 -14.688 24.775 1.00 42.12 C

ATOM 3553 CD1 PHE B 237 -50.832 -15.542 25.875 1.00 46.03 C

ATOM 3554 CE1 PHE B 237 -49.697 -15.704 26.737 1.00 49.43 C

ATOM 3555 CZ PHE B 237 -48.522 -14.937 26.478 1.00 47.01 C

ATOM 3556 CE2 PHE B 237 -48.463 -14.068 25.385 1.00 48.55 C

ATOM 3557 CD2 PHE B 237 -49.557 -13.946 24.533 1.00 44.48 c

ATOM 3558 C PHE B 237 -52.102 -11.938 24.129 1.00 33.09 c

ATOM 3559 or PHE B 237 -51.713 -11.351 25.104 1.00 33.64 o

ATOM 3560 N ASN B 238 -51.825 -11.499 22.922 1.00 33.91 N

ATOM 3561 CA ASN B 238 -51.306 -10.087 22.656 1.00 36.20 C

ATOM 3562 CB ASN B 238 -51.053 -9.896 21.200 1.00 37.39 C

ATOM 3563 CG ASN B 238 -49.809 -10.566 20.788 1.00 44.34 C

ATOM 3564 ODl ASN B 238 -49.822 -11.498 19.997 1.00 49.69 o

ATOM 3565 ND2 ASN B 238 -48.689 -10.152 21.412 1.00 53.89 N

ATOM 3566 C ASN B 238 -52.114 -8.899 23.153 1.00 34.76 C ATOM 3567 or ASN B 238 -51.536 -7.939 23.659 1.00 34.69 O

ATOM 3568 N ILE B 239 -53.447 -8.990 23.035 1.00 34.17 N

ATOM 3569 CA ILE B 239 -54.364 -8.005 23.591 1.00 32.53 C

ATOM 3570 CB ILE B 239 -55.823 -8.439 23.387 1.00 32.20 C

ATOM 3571 CGI ILE B 239 -56.143 -8.544 21.897 1.00 29.18 C

ATOM 3572 CD1 ILE B 239 -57.719 -8.885 21.706 1.00 33.41 C

ATOM 3573 CG2 ILE B 239 -56.783 -7.567 24.211 1.00 32.17 C

ATOM 3574 C ILE B 239 -54.113 -7.860 25.070 1.00 33.74 C

ATOM 3575 or ILE B 239 -53.995 -6.722 25.593 1.00 31.36 O

ATOM 3576 N ALA B 240 -54.055 -9.018 25.801 1.00 32.63 N

ATOM 3577 CA ALA B 240 -53.865 -8.971 27.245 1.00 29.86 C

ATOM 3578 CB ALA B 240 -54.059 - -10.366 27.828 1.00 30.17 C

ATOM 3579 C ALA B 240 -52.471 -8.405 27.680 1.00 28.04 C

ATOM 3580 or ALA B 240 -52.278 -7.838 28.738 1.00 28.71 O

ATOM 3581 N SER B 241 -51.497 -8.823 26.947 1.00 27.84 N

ATOM 3582 CA SER B 241 -50.115 -8.525 27.087 1.00 29.99 C

ATOM 3583 CB SER B 241 -49.608 -9.364 25.950 1.00 29.14 C

ATOM 3584 OG SER B 241 -48.289 -9.653 26.096 1.00 38.38 O

ATOM 3585 C SER B 241 -49.776 -6.960 26.805 1.00 30.25 C

ATOM 3586 or SER B 241 -49.195 -6.266 27.611 1.00 32.60 O

ATOM 3587 N TYR B 242 -50.183 -6.433 25.685 1.00 29.87 N

ATOM 3588 CA TYR B 242 -50.044 -4.947 25.382 1.00 29.69 C

ATOM 3589 CB TYR B 242 -50.197 -4.753 23.903 1.00 28.94 C

ATOM 3590 CG TYR B 242 -48.915 -5.062 23.270 1.00 25.58 C

ATOM 3591 CD1 TYR B 242 -47.842 -4.060 23.253 1.00 30.50 C

ATOM 3592 CE1 TYR B 242 -46.632 -4.305 22.651 1.00 32.20 C

ATOM 3593 CZ TYR B 242 -46.400 -5.572 22.081 1.00 33.97 C

ATOM 3594 OH TYR B 242 -45.201 -5.821 21.434 1.00 31.63 O

ATOM 3595 CE2 TYR B 242 -47.415 -6.556 22.093 1.00 31.07 c

ATOM 3596 CD2 TYR B 242 -48.653 -6.290 22.736 1.00 30.82 c

ATOM 3597 C TYR B 242 -50.934 -4.142 26.248 1.00 30.79 c

ATOM 3598 or TYR B 242 -50.502 -3.120 26.799 1.00 30.22 O

ATOM 3599 N ALA B 243 -52.113 -4.664 26.587 1.00 31.43 N

ATOM 3600 CA ALA B 243 -52.892 -3.978 27.627 1.00 33.27 C

ATOM 3601 CB ALA B 243 -54.311 -4.453 27.712 1.00 34.07 C

ATOM 3602 C ALA B 243 -52.242 -3.900 29.030 1.00 34.30 C

ATOM 3603 or ALA B 243 -52.375 -2.916 29.741 1.00 33.89 O

ATOM 3604 N LEU B 244 -51.555 -4.967 29.413 1.00 34.41 N

ATOM 3605 CA LEU B 244 -50.846 -5.044 30.656 1.00 34.33 C

ATOM 3606 CB LEU B 244 -50.472 -6.561 30.981 1.00 33.34 C

ATOM 3607 CG LEU B 244 -49.385 -6.850 32.043 1.00 35.15 C ATOM 3608 CD1 LEU B 244 -49.768 -6.337 33.438 1.00 36.62 C

ATOM 3609 CD2 LEU B 244 -48.957 -8.344 32.121 1.00 37.91 C

ATOM 3610 C LEU B 244 -49.599 -4.105 30.609 1.00 33.28 C

ATOM 3611 or LEU B 244 -49.397 -3.364 31.525 1.00 33.54 o

ATOM 3612 N LEU B 245 -48.744 -4.228 29.609 1.00 33.46 N

ATOM 3613 CA LEU B 245 -47.725 -3.241 29.319 1.00 34.45 C

ATOM 3614 CB LEU B 245 -47.067 -3.511 27.954 1.00 34.15 C

ATOM 3615 CG LEU B 245 -45.861 -2.565 27.634 1.00 33.25 C

ATOM 3616 CD1 LEU B 245 -44.703 -2.712 28.587 1.00 31.78 C

ATOM 3617 CD2 LEU B 245 -45.424 -2.698 26.248 1.00 25.88 C

ATOM 3618 C LEU B 245 -48.246 -1.753 29.459 1.00 34.32 C

ATOM 3619 or LEU B 245 -47.699 -0.981 30.195 1.00 35.27 o

ATOM 3620 N THR B 246 -49.376 -1.415 28.861 1.00 35.85 N

ATOM 3621 CA THR B 246 -50.006 -0.110 29.050 1.00 33.86 C

ATOM 3622 CB THR B 246 -51.214 0.109 28.192 1.00 33.36 C

ATOM 3623 OGl THR B 246 -50.874 -0.288 26.887 1.00 27.75 o

ATOM 3624 CG2 THR B 246 -51.690 1.615 28.200 1.00 31.22 C

ATOM 3625 C THR B 246 -50.342 0.230 30.457 1.00 35.92 C

ATOM 3626 or THR B 246 -50.086 1.390 30.858 1.00 37.06 o

ATOM 3627 N TYR B 247 -50.930 -0.716 31.206 1.00 35.61 N

ATOM 3628 CA TYR B 247 -51.185 -0.503 32.634 1.00 34.31 C

ATOM 3629 CB TYR B 247 -51.905 -1.700 33.350 1.00 33.94 C

ATOM 3630 CG TYR B 247 -53.430 -1.540 33.391 1.00 32.46 C

ATOM 3631 CD1 TYR B 247 -54.086 -1.252 34.581 1.00 33.86 C

ATOM 3632 CE1 TYR B 247 -55.439 -1.097 34.624 1.00 29.39 C

ATOM 3633 CZ TYR B 247 -56.143 -1.235 33.471 1.00 30.84 C

ATOM 3634 OH TYR B 247 -57.520 -1.052 33.503 1.00 33.41 o

ATOM 3635 CE2 TYR B 247 -55.541 -1.524 32.290 1.00 26.02 c

ATOM 3636 CD2 TYR B 247 -54.203 -1.691 32.240 1.00 28.12 c

ATOM 3637 C TYR B 247 -49.940 -0.180 33.404 1.00 33.20 c

ATOM 3638 or TYR B 247 -50.008 0.589 34.356 1.00 33.26 o

ATOM 3639 N MET B 248 -48.865 -0.885 33.107 1.00 34.50 N

ATOM 3640 CA MET B 248 -47.535 -0.731 33.784 1.00 37.03 C

ATOM 3641 CB MET B 248 -46.558 -1.823 33.330 1.00 36.55 C

ATOM 3642 CG MET B 248 -46.858 -3.198 33.995 1.00 38.61 c

ATOM 3643 SD MET B 248 -45.913 -4.413 33.136 1.00 43.47 s

ATOM 3644 CE MET B 248 -44.603 - .795 34.286 1.00 49.99 c

ATOM 3645 C MET B 248 -46.865 0.652 33.538 1.00 36.22 c

ATOM 3646 or MET B 248 -46.443 1.306 34.475 1.00 36.72 o

ATOM 3647 N ILE B 249 -46.779 1.038 32.275 1.00 37.11 N

ATOM 3648 CA ILE B 249 -46.235 2.334 31.836 1.00 37.27 C ATOM 3649 CB ILE B 249 -46.002 2.379 30.340 1.00 35.89 C

ATOM 3650 CGI ILE B 249 -44.950 1.355 29.961 1.00 28.74 C

ATOM 3651 CD1 ILE B 249 -44.777 1.266 28.390 1.00 22.54 C

ATOM 3652 CG2 ILE B 249 -45.546 3.852 29.816 1.00 37.06 C

ATOM 3653 C ILE B 249 -47.079 3.477 32.371 1.00 39.43 C

ATOM 3654 or ILE B 249 -46.508 4.428 32.900 1.00 40.55 0

ATOM 3655 N ALA B 250 -48.407 3.337 32.355 1.00 39.77 N

ATOM 3656 CA ALA B 250 -49.265 4.351 32.859 1.00 40.29 C

ATOM 3657 CB ALA B 250 -50.723 4.006 32.614 1.00 40.18 C

ATOM 3658 C ALA B 250 -48.993 4.539 34.335 1.00 42.80 C

ATOM 3659 or ALA B 250 -48.945 5.678 34.847 1.00 44.20 o

ATOM 3660 N HIS B 251 -48.831 3.433 35.053 1.00 43.34 N

ATOM 3661 CA HIS B 251 -48.738 3.474 36.490 1.00 42.96 C

ATOM 3662 CB HIS B 251 -48.671 2.010 36.999 1.00 42.20 C

ATOM 3663 CG HIS B 251 -48.333 1.869 38.455 1.00 38.32 C

ATOM 3664 ND1 HIS B 251 -49.284 1.920 39.467 1.00 42.33 N

ATOM 3665 CE1 HIS B 251 -48.683 1.785 40.641 1.00 38.73 C

ATOM 3666 NE2 HIS B 251 -47.381 1.651 40.423 1.00 39.28 N

ATOM 3667 CD2 HIS B 251 -47.132 1.743 39.072 1.00 35.27 C

ATOM 3668 C HIS B 251 -47.475 4.273 36.916 1.00 44.26 C

ATOM 3669 or HIS B 251 -47.481 5.103 37.799 1.00 45.45 o

ATOM 3670 N ILE B 252 -46.386 3.888 36.305 1.00 45.34 N

ATOM 3671 CA ILE B 252 -45.080 4.431 36.428 1.00 46.18 C

ATOM 3672 CB ILE B 252 -44.221 3.370 35.681 1.00 45.57 C

ATOM 3673 CGI ILE B 252 -43.651 2.421 36.715 1.00 45.79 C

ATOM 3674 CD1 ILE B 252 -42.463 1.722 36.175 1.00 53.43 C

ATOM 3675 CG2 ILE B 252 -43.141 3.909 34.673 1.00 45.67 C

ATOM 3676 C ILE B 252 -44.934 5.923 35.936 1.00 47.02 C

ATOM 3677 or ILE B 252 -44.009 6.607 36.329 1.00 49.57 o

ATOM 3678 N THR B 253 -45.823 6.411 35.073 1.00 46.29 N

ATOM 3679 CA THR B 253 -45.704 7.747 34.497 1.00 44.35 C

ATOM 3680 CB THR B 253 -45.815 7.769 32.968 1.00 43.69 C

ATOM 3681 OGl THR B 253 -47.051 7.178 32.503 1.00 41.79 o

ATOM 3682 CG2 THR B 253 -44.612 7.132 32.317 1.00 40.20 c

ATOM 3683 C THR B 253 -46.787 8.615 35.113 1.00 44.79 c

ATOM 3684 or THR B 253 -46.983 9.708 34.714 1.00 44.97 o

ATOM 3685 N GLY B 254 -47.504 8.072 36.087 1.00 44.99 N

ATOM 3686 CA GLY B 254 -48.565 8.771 36.754 1.00 43.99 C

ATOM 3687 C GLY B 254 -49.723 9.136 35.846 1.00 43.63 C

ATOM 3688 or GLY B 254 -50.381 10.127 36.106 1.00 44.24 o

ATOM 3689 N LEU B 255 -49.993 8.356 34.799 1.00 42.86 N ATOM 3690 CA LEU B 255 -51.220 8.545 33.921 1.00 42.54 C

ATOM 3691 CB LEU B 255 -50.850 8 .488 32.430 1. 00 41.29 C

ATOM 3692 CG LEU B 255 -49.794 9 .478 31.953 1. 00 43.50 C

ATOM 3693 CD1 LEU B 255 -49.186 9 .075 30.616 1. 00 38.63 C

ATOM 3694 CD2 LEU B 255 -50.382 10 .938 31.974 1. 00 39.54 C

ATOM 3695 C LEU B 255 -52.261 7 .430 34.168 1. 00 42.54 C

ATOM 3696 or LEU B 255 -51.984 6.471 34.903 1 ..00 43.22 O

ATOM 3697 N LYS B 256 -53.417 7 .529 33.518 1. 00 41.75 N

ATOM 3698 CA LYS B 256 -54.473 6 .511 33.602 1. 00 42.21 C

ATOM 3699 CB LYS B 256 -55.847 7 .188 33.776 1. 00 43.28 C

ATOM 3700 CG LYS B 256 -56.227 7 .514 35.231 1. 00 47.36 C

ATOM 3701 CD LYS B 256 -57.274 8 .599 35.111 1. 00 54.96 C

ATOM 3702 CE LYS B 256 -56.806 9 .727 34.146 1. 00 56.40 C

ATOM 3703 NZ LYS B 256 -57.948 10 .415 33.491 1. 00 56.12 N

ATOM 3704 C LYS B 256 -54.522 5 .756 32.283 1. 00 40.30 C

ATOM 3705 or LYS B 256 -54.429 6.411 31.278 1 .00 40.39 O

ATOM 3706 N PRO B 257 -54.676 4 .387 32.284 1. 00 39.12 N

ATOM 3707 CA PRO B 257 -54.803 3 .669 31.021 1. 00 36.29 C

ATOM 3708 CB PRO B 257 -55.073 2 .217 31.458 1. 00 36.77 C

ATOM 3709 CG PRO B 257 -54.485 2 .085 32.774 1. 00 36.74 C

ATOM 3710 CD PRO B 257 -54.671 3 .445 33.434 1. 00 38.61 C

ATOM 3711 C PRO B 257 -55.923 4 .255 30.229 1. 00 35.07 C

ATOM 3712 or PRO B 257 -56.911 4.678 30.801 1 .00 34.70 0

ATOM 3713 N GLY B 258 -55.756 4 .370 28.916 1. 00 33.54 N

ATOM 3714 CA GLY B 258 -56.856 4 .920 28.091 1. 00 32.77 C

ATOM 3715 C GLY B 258 -57.503 3 .847 27.186 1. 00 32.17 C

ATOM 3716 or GLY B 258 -58.391 3.169 27.672 1 .00 32.49 O

ATOM 3717 N ASP B 259 -57.112 3 .765 25.903 1. 00 30.11 N

ATOM 3718 CA ASP B 259 -57.509 2 .758 24.906 1. 00 31.55 C

ATOM 3719 CB ASP B 259 -58.099 3 .367 23.631 1. 00 32.36 C

ATOM 3720 CG ASP B 259 -59.390 4 .041 23.897 1. 00 37.13 C

ATOM 3721 OD1 ASP B 259 -60.266 3 .359 24.485 1. 00 40.22 O

ATOM 3722 OD2 ASP B 259 -59.524 5 .246 23.577 1. 00 41.45 O

ATOM 3723 C ASP B 259 -56.318 1 .912 24.486 1. 00 30.77 c

ATOM 3724 or ASP B 259 -55.168 2.386 24.497 1 .00 29.91 0

ATOM 3725 N PHE B 260 -56.596 0 .626 24.189 1. 00 29.95 N

ATOM 3726 CA PHE B 260 -55.696 -0 .266 23.429 1. 00 26.32 C

ATOM 3727 CB PHE B 260 -55.369 -1 .578 24.175 1. 00 26.56 C

ATOM 3728 CG PHE B 260 -54.623 -2 .586 23.320 1. 00 29.95 C

ATOM 3729 CD1 PHE B 260 -53.319 -2 .345 22.949 1. 00 21.28 C

ATOM 3730 CE1 PHE B 260 -52.643 -3 .202 22.165 1. 00 29.48 C ATOM 3731 CZ PHE B 260 -53.217 -4.395 21.743 1.00 26.84 C

ATOM 3732 CE2 PHE B 260 -54.552 -4.698 22.097 1.00 28.63 C

ATOM 3733 CD2 PHE B 260 -55.270 -3.784 22.850 1.00 28.50 C

ATOM 3734 C PHE B 260 -56.332 -0.527 22.128 1.00 24.86 C

ATOM 3735 or PHE B 260 -57.474 -0.924 22.042 1.00 26.16 o

ATOM 3736 N ILE B 261 -55.603 -0.224 21.073 1.00 24.56 N

ATOM 3737 CA ILE B 261 -56.092 -0.334 19.812 1.00 22.37 C

ATOM 3738 CB ILE B 261 -55.839 1.019 18.969 1.00 23.19 C

ATOM 3739 CGI ILE B 261 -56.747 2.223 19.372 1.00 23.98 C

ATOM 3740 CD1 ILE B 261 -56.096 3.019 20.389 1.00 22.94 C TOM 3741 CG2 ILE B 261 -56.252 0.764 17.651 1.00 14.76 c

ATOM 3742 C ILE B 261 -55.268 -1.443 19.116 1.00 23.38 c

ATOM 3743 or ILE B 261 -54.014 -1.369 19.076 1.00 22.50 o

ATOM 3744 N HIS B 262 -55.938 -2.371 18.412 1.00 23.73 N

ATOM 3745 CA HIS B 262 -55.167 -3.555 17.848 1.00 23.14 C

ATOM 3746 CB HIS B 262 -55.639 -4.824 18.522 1.00 24.70 C

ATOM 3747 CG HIS B 262 -54.757 -6.016 18.264 1.00 32.84 C

ATOM 3748 ND1 HIS B 262 -55.160 -7.295 18.549 1.00 41.10 N

ATOM 3749 CE1 HIS B 262 -54.185 -8.136 18.276 1.00 44.40 C

ATOM 3750 NE2 HIS B 262 -53.201 -7.462 17.724 1.00 42.11 N

ATOM 3751 CD2 HIS B 262 -53.530 -6.132 17.721 1.00 35.35 C

ATOM 3752 C HIS B 262 -55.374 -3.593 16.432 1.00 19.81 C

ATOM 3753 or HIS B 262 -56.476 -3.620 16.007 1.00 22.86 o

ATOM 3754 N THR B 263 -54.335 -3.482 15.640 1.00 18.76 N

ATOM 3755 CA THR B 263 -54.470 -3.491 14.246 1.00 20.84 C

ATOM 3756 CB THR B 263 -53.781 -2.034 13.703 1.00 21.47 C

ATOM 3757 OGl THR B 263 -54.472 -0.990 14.312 1.00 25.85 o

ATOM 3758 CG2 THR B 263 -53.880 -1.913 12.359 1.00 16.93 C

ATOM 3759 C THR B 263 -53.654 -4.581 13.565 1.00 20.30 c

ATOM 3760 or THR B 263 -52.496 -4.745 13.990 1.00 22.85 o

ATOM 3761 N LEU B 264 -54.137 -5.174 12.427 1.00 21.51 N

ATOM 3762 CA LEU B 264 -53.442 -6.303 11.878 1.00 21.77 C TOM 3763 CB LEU B 264 -54.323 -7.638 12.077 1.00 24.98 C

ATOM 3764 CG LEU B 264 -54.533 -7.907 13.559 1.00 25.26 C

ATOM 3765 CD1 LEU B 264 -55.603 -8.929 13.839 1.00 29.95 C

ATOM 3766 CD2 LEU B 264 -53.142 -8.310 14.167 1.00 28.25 C

ATOM 3767 C LEU B 264 -53.179 -6.097 10.474 1.00 21.67 C

ATOM 3768 or LEU B 264 -53.983 -5.458 9.845 1.00 23.03 o

ATOM 3769 N GLY B 265 -52.067 -6.630 9.935 1.00 19.62 N

ATOM 3770 CA GLY B 265 -52.054 -6.743 8.543 1.00 20.89 C

ATOM 3771 C GLY B 265 -52.816 -8.071 8.224 1.00 27.19 C ATOM 3772 or GLY B 265 -5* .105 -£ .085 8.080 1.00 26.55 o

ATOM 3773 N ASP B 266 -52. 068 -9. 202 8.113 1.00 27. 40 N

ATOM 3774 CA ASP B 266 -52. 722 -10. 568 7.754 1.00 26. 88 C

ATOM 3775 CB ASP B 266 -51. 606 -11. 538 7.351 1.00 29. 29 C

ATOM 3776 CG ASP B 266 -52. 091 -12. 807 6.557 1.00 29. 36 C

ATOM 3777 ODl ASP B 266 -53. 242 -13. 241 6.662 1.00 21. 65 o

ATOM 3778 OD2 ASP B 266 -51. 259 -13. 285 5.754 1.00 33. 07 o

ATOM 3779 C ASP B 266 -53. 386 -11. 119 9.010 1.00 26. 59 C

ATOM 3780 or ASP B 266 -52 .682 -11 .596 9.880 1.00 24 .81 o

ATOM 3781 N ALA B 267 -54. 693 -10. 849 9.194 1.00 26. 26 N TOM 3782 CA ALA B 267 -55. 463 -11. 414 10.243 1.00 27. 55 C

ATOM 3783 CB ALA B 267 -56. 759 -10. 544 10.615 1.00 24. 48 C

ATOM 3784 C ALA B 267 -55. 967 -12. 837 9.729 1.00 28. 41 C

ATOM 3785 or ALA B 267 -56.676 -12 .944 8.706 1.0C 25 .36 o

ATOM 3786 N HIS B 268 -55. 708 -13. 888 10.507 1.00 29. 94 N

ATOM 3787 CA HIS B 268 -55. 830 -15. 245 9.927 1.00 29. 31 C

ATOM 3788 CB HIS B 268 -54. 602 -15. 663 9.110 1.00 29. 01 C

ATOM 3789 CG HIS B 268 -53. 321 -15. 771 9.927 1.00 35. 25 C

ATOM 3790 ND1 HIS B 268 -52. 366 -14. 756 10.002 1.00 32. 14 N

ATOM 3791 CE1 HIS B 268 -51. 387 -15. 119 10.807 1.00 33. 42 C

ATOM 3792 NE2 HIS B 268 -51. 663 -16. 335 11.267 1.00 38. 25 N

ATOM 3793 CD2 HIS B 268 -52. 866 -16. 762 10.742 1.00 32. 11 C

ATOM 3794 C HIS B 268 -56. 251 -16. 194 10.988 1.00 30. 56 C

ATOM 3795 or HIS B 268 -55 .980 -16 .000 12.194 1.0C 28 .99 o

ATOM 3796 N ILE B 269 -57. 073 -17. 159 10.487 1.00 32. 96 N

ATOM 3797 CA ILE B 269 -57. 540 -18. 351 11.193 1.00 33. 43 C

ATOM 3798 CB ILE B 269 -59. 104 -18. 403 11.262 1.00 34. 96 C

ATOM 3799 CGI ILE B 269 -59. 587 -17. 134 11.973 1.00 29. 82 C

ATOM 3800 CD1 ILE B 269 -61. 091 -16. 991 11.996 1.00 27. 54 C

ATOM 3801 CG2 ILE B 269 -59. 653 -19. 713 12.139 1.00 34. 77 C

ATOM 3802 C ILE B 269 -56. 895 -19. 599 10.546 1.00 32. 82 C

ATOM 3803 or ILE B 269 -56 .962 -19 .822 9.344 1.0C 32 .52 o

ATOM 3804 N TYR B 270 -56. 137 -20. 332 11.357 1.00 33. 96 N

ATOM 3805 CA YR B 270 -55. 552 -21. 640 10.933 1.00 34. 34 C

ATOM 3806 CB TYR B 270 -54. 600 -22. 148 12.050 1.00 33. 46 C

ATOM 3807 CG TYR B 270 -53. 253 -21. 568 11.782 1.00 33. 11 C

ATOM 3808 CD1 TYR B 270 -52. 751 -20. 464 12.533 1.00 34. 64 C

ATOM 3809 CE1 TYR B 270 -51. 530 -19. 859 12.177 1.00 31. 54 C

ATOM 3810 CZ TYR B 270 -50. 826 -20. 332 11.081 1.00 36. 86 c

ATOM 3811 OH TYR B 270 -49. 605 -19. 748 10.658 1.00 42. 09 o

ATOM 3812 CE2 TYR B 270 -51. 332 -21. 391 10.313 1.00 35. 19 c ATOM 3813 CD2 TYR B 270 -52.570 -21.961 10.668 1.00 33.87 C

ATOM 3814 C TYR B 270 -56. 717 -22. 616 10. 689 1 .00 32. 04 C

ATOM 3815 or TYR B 270 -57 '.570 -22 :.670 11 ..505 1.00 31 ..22 1

ATOM 3816 N LEU B 271 -56. 788 -23. 305 9. 560 1 .00 35. 09 N

ATOM 3817 CA LEU B 271 -57. 962 -24. 305 9. 271 1 .00 37. 27 C

ATOM 3818 CB LEU B 271 -57. 682 -25. 185 8. 092 1 .00 37. 62 C

ATOM 3819 CG LEU B 271 -57. 307 -24. 303 6. 921 1 .00 36. 10 C

ATOM 3820 CD1 LEU B 271 -57. 260 -25. 041 5. 686 1 .00 36. 68 C

ATOM 3821 CD2 LEU B 271 -58. 258 -23. 021 6. 804 1 .00 34. 08 c

ATOM 3822 C LEU B 271 -58. 435 -25. 148 10. 407 1 .00 39. 73 c

ATOM 3823 or LEU B 271 -5S 1.642 -25.256 1C 1.655 1.0C 1 42 1.70 (

ATOM 3824 N ASN B 272 -57. 501 -25. 623 11. 217 1 .00 41. 52 N

ATOM 3825 CA ASN B 272 -57. 890 -26. 466 12. 286 1 .00 43. 54 C

ATOM 3826 CB ASN B 272 -56. 715 -27. 364 12. 637 1 .00 46. 50 C

ATOM 3827 CG ASN B 272 -55. 469 -26. 565 12. 985 1 .00 55. 87 C

ATOM 3828 OD1 ASN B 272 -54. 836 -25. 867 12. 102 1 .00 59. 82 O

ATOM 3829 ND2 ASN B 272 -55. 099 -26. 629 14. 298 1 .00 60. 12 N

ATOM 3830 C ASN B 272 -58. 446 -25. 790 13. 494 1 .00 43. 20 C

ATOM 3831 or ASN B 272 -58 : .827 -26i.473 14 .487 1.00 42 .28 (

ATOM 3832 N HIS B 273 -58. 500 -24. 441 13. 463 1 .00 40. 80 N

ATOM 3833 CA HIS B 273 -59. 106 -23. 689 14. 579 1 .00 38. 29 C

ATOM 3834 CB HIS B 273 -58. 333 -22. 395 14. 878 1 .00 38. 65 C

ATOM 3835 CG HIS B 273 -56. 920 -22. 599 15. 333 1 .00 44. 99 C

ATOM 3836 ND1 HIS B 273 -56. 027 -21. 546 15. 495 1 .00 45. 49 N

ATOM 3837 CE1 HIS B 273 -54. 860 -22. 030 15. 892 1 .00 51. 50 C

ATOM 3838 NE2 HIS B 273 -54. 954 -23. 350 15. 989 1 .00 50. 16 N

ATOM 3839 CD2 HIS B 273 -56. 232 -23. 731 15. 643 1 .00 47. 95 C

ATOM 3840 C HIS B 273 -60. 558 -23. 314 14. 308 1 .00 35. 43 C

ATOM 3841 or HIS B 273 -61 .231 -22 .785 15 .196 1.00 36i.80 (

ATOM 3842 N ILE B 274 -61. 023 -23. 552 13. 094 1 .00 35. 66 N

ATOM 3843 CA ILE B 274 -62. 376 -23. 132 12. 593 1 .00 35. 90 C

ATOM 3844 CB ILE B 274 -62. 478 -23. 456 11. 067 1 .00 36. 81 C

ATOM 3845 CGI ILE B 274 -61. 475 -22. 616 10. 291 1 .00 30. 58 C

ATOM 3846 CD1 ILE B 274 -61. 451 -22. 868 8. 695 1 .00 31. 67 C

ATOM 3847 CG2 ILE B 274 -63. 928 -23. 306 10. 461 1 .00 37. 93 c

ATOM 3848 C ILE B 274 -63. 505 -23. 664 13. 500 1 .00 38. 25 c

ATOM 3849 or ILE B 274 -64 .371 -22 .885 14 .020 1.00 39 >.50 (

ATOM 3850 N GLU B 275 -63. 376 -24. 943 13. 898 1 .00 38. 42 N

ATOM 3851 CA GLU B 275 -64. 458 -25. 640 14. 559 1 .00 37. 36 C

ATOM 3852 CB GLU B 275 -64. 247 -27. 222 14. 456 1 .00 39. 86 C

ATOM 3853 CG GLU B 275 -64. 724 -27. 779 13. 093 1 .00 42. 94 C ATOM 3854 CD GLU B 275 -66.158 -27.210 12.756 1.00 49.48 C

ATOM 3855 OEl GLU B 275 -66. 924 -27.027 13.749 1.00 52.12 0

ATOM 3856 OE2 GLU B 275 -66. 493 -26.891 11.566 1.00 48.25 0

ATOM 3857 C GLU B 275 -64. 483 -25.178 15.928 1.00 35.52 C

ATOM 3858 or GLU B 275 -65.571 -24.811 16.465 1.00 38.14 o

ATOM 3859 N PRO B 276 -63. 300 -25.187 16.586 1.00 33.69 N

ATOM 3860 CA PRO B 276 -63. 408 -24.615 17.927 1.00 32.61 C

ATOM 3861 CB PRO B 276 -61. 986 -24.870 18.541 1.00 33.34 C

ATOM 3862 CG PRO B 276 -61. 209 -25.377 17.532 1.00 30.91 C

ATOM 3863 CD PRO B 276 -61. 955 -25.737 16.315 1.00 31.04 C

ATOM 3864 C PRO B 276 -63. 819 -23.117 17.960 1.00 33.37 C

ATOM 3865 or PRO B 276 -64 .482 -22.719 18.921 1.00 33.79 o

ATOM 3866 N LEU B 277 -63. 444 -22.301 16.938 1.00 33.94 N

ATOM 3867 CA LEU B 277 -63. 769 -20.833 16.981 1.00 34.32 C

ATOM 3868 CB LEU B 277 -62. 866 -20.032 16.002 1.00 34.81 C

ATOM 3869 CG LEU B 277 -61. 463 -19.656 16.612 1.00 32.55 C

ATOM 3870 CD1 LEU B 277 -60. 646 -19.100 15.582 1.00 30.55 C

ATOM 3871 CD2 LEU B 277 -61. 574 -18.714 17.820 1.00 26.88 C

ATOM 3872 C LEU B 277 -65. 251 -20.627 16.687 1.00 35.64 C

ATOM 3873 or LEU B 277 -65 .891 -19.799 17.363 1.0C 36.26 o

ATOM 3874 N LYS B 278 -65. 789 -21.436 15.748 1.00 35.84 N

ATOM 3875 CA LYS B 278 -67. 274 -21.574 15.526 1.00 37.94 C

ATOM 3876 CB LYS B 278 -67. 563 -22.568 14.420 1.00 38.63 C

ATOM 3877 CG LYS B 278 -67. 293 -21.975 13.095 1.00 40.42 C

ATOM 3878 CD LYS B 278 -67. 584 -22.896 11.895 1.00 50.32 C

ATOM 3879 CE LYS B 278 -67. 719 -21.926 10.632 1.00 55.36 C

ATOM 3880 NZ LYS B 278 -67. 211 -22.263 9.225 1.00 57.71 N

ATOM 3881 C LYS B 278 -68. 077 -21.838 16.776 1.00 38.02 C

ATOM 3882 or LYS B 278 -69 .058 -21.177 17.042 1.0C 39.95 o

ATOM 3883 N ILE B 279 -67. 556 -22.648 17.681 1.00 38.84 N

ATOM 3884 CA ILE B 279 -68. 205 -22.806 18.986 1.00 38.19 C

ATOM 3885 CB ILE B 279 -67. 691 -24.124 19.716 1.00 38.05 C

ATOM 3886 CGI ILE B 279 -68. 184 -25.412 19.008 1.00 43.45 C

ATOM 3887 CD1 ILE B 279 -67. 150 -26.624 19.120 1.00 41.40 C

ATOM 3888 CG2 ILE B 279 -68. 019 -24.049 21.222 1.00 37.47 C

ATOM 3889 C ILE B 279 -67. 961 -21.645 19.910 1.00 37.22 C

ATOM 3890 or ILE B 279 -68 .854 -21.190 20.590 1.00 36.40 o

ATOM 3891 N GLN B 280 -66. 700 -21.200 20.044 1.00 38.56 N

ATOM 3892 CA GLN B 280 -66. 428 -19.970 20.846 1.00 37.97 C

ATOM 3893 CB GLN B 280 -64. 979 -19.499 20.694 1.00 37.97 C

ATOM 3894 CG GLN B 280 -64. 667 -18.298 21.633 1.00 34.42 C ATOM 3895 CD GLN B 280 -63.171 -17.988 21 655 1.00 34.47 C

ATOM 3896 OE1 GLN B 280 -62. 364 -18.623 20 961 1.00 34.86 O

ATOM 3897 NE2 GLN B 280 -62. 814 -17.003 22. 397 1.00 25.31 N

ATOM 3898 C GLN B 280 -67. 346 -18.756 20. 444 1.00 38.33 C

ATOM 3899 or GLN B 280 -6^" .740 -17.979 21.321 1.00 36.08 O

ATOM 3900 N LEU B 281 -67. 628 -18.633 19. 138 1.00 39.85 N

ATOM 3901 CA LEU B 281 -68. 548 -17.597 18. 609 1.00 43.74 C

ATOM 3902 CB LEU B 281 -68. 694 -17.648 17. 088 1.00 43.12 C

ATOM 3903 CG LEU B 281 -67. 604 -17.055 16. 185 1.00 47.63 C

ATOM 3904 CD1 LEU B 281 -68. 060 -17.011 14. 730 1.00 46.38 c

ATOM 3905 CD2 LEU B 281 -67. 229 -15.677 16. 680 1.00 44.96 c

ATOM 3906 C LEU B 281 -69. 956 -17.612 19. 204 1.00 45.75 c

ATOM 3907 or LEU B 281 -7C .611 -16.575 19.161 1.0C 45.39 O

ATOM 3908 N GLN B 282 -70. 439 -18.747 19. 777 1.00 47.32 N

ATOM 3909 CA GLN B 282 -71. 799 -18.687 20. 356 1.00 47.73 C

ATOM 3910 CB GLN B 282 -72. 680 -19.931 20. 165 1.00 49.23 C

ATOM 3911 CG GLN B 282 -72. 002 -21.275 20. 003 1.00 52.51 C

ATOM 3912 CD GLN B 282 -71. 997 -21.677 18. 527 1.00 60.63 C

ATOM 3913 OE1 GLN B 282 -71. 871 -22.875 18. 157 1.00 58.08 O

ATOM 3914 NE2 GLN B 282 -72. 137 -20.648 17. 652 1.00 64.51 N

ATOM 3915 C GLN B 282 -71. 791 -18.374 21. 773 1.00 46.54 C

ATOM 3916 or GLN B 282 -72 .858 -18.340 22 .379 1.0C 48.35 O

ATOM 3917 N ARG B 283 -70. 622 -18.153 22. 356 1.00 44.80 N

ATOM 3918 CA ARG B 283 -70. 621 -17.824 23. 754 1.00 42.86 C

ATOM 3919 CB ARG B 283 -69. 384 -18.407 24. 382 1.00 44.63 C

ATOM 3920 CG ARG B 283 -69. 106 -19.916 24. 087 1.00 42.49 C

ATOM 3921 CD ARG B 283 -67. 750 -20.241 24. 723 1.00 41.20 C

ATOM 3922 NE ARG B 283 -67. 441 -21.658 24. 767 1.00 45.52 N

ATOM 3923 CZ ARG B 283 -66. 401 -22.214 25. 384 1.00 45.08 C

ATOM 3924 NHl ARG B 283 -66. 294 -23.547 25. 373 1.00 41.53 N

ATOM 3925 NH2 ARG B 283 -65. 479 -21.473 25. 995 1.00 40.27 N

ATOM 3926 C ARG B 283 -70. 737 -16.301 23. 969 1.00 44.28 C

ATOM 3927 or ARG B 283 -70 .299 -15.483 23 .145 1.00 42.08 O

ATOM 3928 N GLU B 284 -71. 323 -15.909 25. 085 1.00 45.22 N

ATOM 3929 CA GLU B 284 -71. 649 -14.544 25. 281 1.00 46.45 C

ATOM 3930 CB GLU B 284 -73. 060 -14.389 25. 861 1.00 47.56 C

ATOM 3931 CG GLU B 284 -74. 075 -13.780 24. 818 1.00 57.49 C

ATOM 3932 CD GLU B 284 -74. 090 -12.218 24. 859 1.00 68.00 c

ATOM 3933 OE1 GLU B 284 -73. 494 -11.572 23. 920 1.00 71.26 0

ATOM 3934 OE2 GLU B 284 -74. 691 -11.653 25. 842 1.00 71.72 0

ATOM 3935 C GLU B 284 -70. 641 -14.003 26. 230 1.00 45.12 c ATOM 3936 or GLU B 284 -70.514 -14.568 27.309 1.00 45.17 O

ATOM 3937 N PRO B 285 -69.897 -12. 921 25.841 1.00 44.02 N

ATOM 3938 CA PRO B 285 -68.940 -12. 322 26.815 1.00 42.55 C

ATOM 3939 CB PRO B 285 -68.502 -10. 998 26.121 1.00 42.28 C

ATOM 3940 CG PRO B 285 -68.573 -11. 330 24.628 1.00 43.33 C

ATOM 3941 CD PRO B 285 -69.832 -12. 264 24.505 1.00 43.82 C

ATOM 3942 C PRO B 285 -69.571 -12. 062 28.177 1.00 42.44 C

ATOM 3943 or PRO B 285 -70.771 -11 .761 28.244 1.00 42.55 O

ATOM 3944 N ARG B 286 -68.777 -12. 163 29.249 1.00 42.74 N

ATOM 3945 CA ARG B 286 -69.106 -11. 677 30.582 1.00 43.58 C

ATOM 3946 CB ARG B 286 -68.575 -12. 625 31.672 1.00 44.15 C

ATOM 3947 CG ARG B 286 -69.384 -13. 924 31.972 1.00 49.26 C

ATOM 3948 CD ARG B 286 -68.988 -15. 047 31.058 1.00 52.54 C

ATOM 3949 NE ARG B 286 -69.933 -16. 166 31.109 1.00 58.87 N

ATOM 3950 CZ ARG B 286 -69.716 -17. 321 31.741 1.00 60.17 C

ATOM 3951 NH1 ARG B 286 -70.629 -18. 284 31.690 1.00 64.64 N

ATOM 3952 NH2 ARG B 286 -68.602 -17. 532 32.424 1.00 57.02 N

ATOM 3953 C ARG B 286 -68.341 -10. 363 30.795 1.00 44.23 C

ATOM 3954 or ARG B 286 -67.272 -10 .207 30.243 1.00 44.27 O

ATOM 3955 N PRO B 287 -68.856 -9. 438 31.642 1.00 44.71 N

ATOM 3956 CA PRO B 287 -68.056 -8. 272 32.039 1.00 44.19 C

ATOM 3957 CB PRO B 287 -68.621 -7. 934 33.416 1.00 44.56 C

ATOM 3958 CG PRO B 287 -70.081 -8. 362 33.322 1.00 45.23 C

ATOM 3959 CD PRO B 287 -70.210 -9. 402 32.243 1.00 43.98 C

ATOM 3960 C PRO B 287 -66.555 -8. 568 32.136 1.00 44.60 C

ATOM 3961 or PRO B 287 -66.138 -9 .573 32.776 1.00 46.04 O

ATOM 3962 N PHE B 288 -65.727 -7. 737 31.482 1.00 43.17 N

ATOM 3963 CA PHE B 288 -64.261 -7. 882 31.585 1.00 39.82 C

ATOM 3964 CB PHE B 288 -63.559 -6. 768 30.783 1.00 39.30 C

ATOM 3965 CG PHE B 288 -63.332 -7. 068 29.360 1.00 36.09 C

ATOM 3966 CD1 PHE B 288 -62.845 -8. 301 28.956 1.00 32.03 C

ATOM 3967 CE1 PHE B 288 -62.605 -8. 567 27.621 1.00 28.93 C

ATOM 3968 CZ PHE B 288 -62.784 -7. 549 26.642 1.00 33.55 C

ATOM 3969 CE2 PHE B 288 -63.229 -6. 289 27.050 1.00 28.96 C

ATOM 3970 CD2 PHE B 288 -63.510 -6. 051 28.390 1.00 32.07 C

ATOM 3971 C PHE B 288 -63.898 -7. 730 33.043 1.00 37.29 C

ATOM 3972 or PHE B 288 -64.571 -6 .983 33.771 1.00 39.56 O

ATOM 3973 N PRO B 289 -62.788 -8. 361 33.480 1.00 35.77 N

ATOM 3974 CA PRO B 289 -62.320 -8. 149 34.836 1.00 37.06 C

ATOM 3975 CB PRO B 289 -61.187 -9. 193 34.980 1.00 36.59 C

ATOM 3976 CG PRO B 289 -60.669 -9. 407 33.578 1.00 32.90 C ATOM 3977 CD PRO B 289 -61.883 -9.244 32.704 1.00 34.68 C

ATOM 3978 C PRO B 289 -61.715 -6.728 35.082 1.00 40.89 C

ATOM 3979 or PRO B 289 -61.749 -5.883 34.195 1.00 39.14 o

ATOM 3980 N LYS B 290 -61.119 -6.524 36.265 1.00 42.88 N

ATOM 3981 CA LYS B 290 -60.362 -5.323 36.597 1.00 46.25 C

ATOM 3982 CB LYS B 290 -61.045 -4.530 37.746 1.00 46.44 C

ATOM 3983 CG LYS B 290 -62.444 -4.084 37.232 1.00 47.08 C TOM 3984 CD LYS B 290 -63.353 -3.182 38.091 1.00 49.27 C

ATOM 3985 CE LYS B 290 -64.811 -3.112 37.375 1.00 53.63 C

ATOM 3986 NZ LYS B 290 -64.960 -3.040 35.768 1.00 53.57 N

ATOM 3987 C LYS B 290 -58.925 -5.754 36.884 1.00 47.37 C

ATOM 3988 or LYS B 290 -58.694 -6.939 37.215 1.00 48.71 o

ATOM 3989 N LEU B 291 -57.951 -4.884 36.610 1.00 47.20 N

ATOM 3990 CA LEU B 291 -56.574 -5.151 37.016 1.00 47.51 C

ATOM 3991 CB LEU B 291 -55.599 -5.222 35.844 1.00 45.35 C

ATOM 3992 CG LEU B 291 -54.103 -5.280 36.177 1.00 44.78 C

ATOM 3993 CD1 LEU B 291 -53.643 -6.647 36.687 1.00 47.19 C

ATOM 3994 CD2 LEU B 291 -53.372 -4.966 34.951 1.00 46.77 C

ATOM 3995 C LEU B 291 -56.169 -4.122 38.078 1.00 48.77 C

ATOM 3996 or LEU B 291 -56.405 -2.943 37.908 1.00 50.50 o

ATOM 3997 N ARG B 292 -55.670 -4.610 39.209 1.00 50.49 N

ATOM 3998 CA ARG B 292 -55.220 -3.834 40.362 1.00 51.01 C

ATOM 3999 CB ARG B 292 -55.809 -4.373 41.685 1.00 52.46 C

ATOM 4000 CG ARG B 292 -57.281 -4.682 41.677 1.00 56.24 C

ATOM 4001 CD ARG B 292 -58.111 -3.404 41.562 1.00 65.87 C

ATOM 4002 NE ARG B 292 -59.524 -3.696 41.782 1.00 72.01 N

ATOM 4003 CZ ARG B 292 -60.497 -2.794 41.758 1.00 76.67 C

ATOM 4004 NH1 ARG B 292 -61.757 -3.175 41.980 1.00 77.50 N

ATOM 4005 NH2 ARG B 292 -60.217 -1.514 41.518 1.00 78.48 N

ATOM 4006 C ARG B 292 -53.739 -4.072 40.447 1.00 50.32 C

ATOM 4007 or ARG B 292 -53.287 -5.202 40.347 1.00 48.17 o

ATOM 4008 N ILE B 293 -52.997 -2.984 40.616 1.00 51.55 N

ATOM 4009 CA ILE B 293 -51.539 -3.018 40.871 1.00 52.46 C

ATOM 4010 CB ILE B 293 -50.745 -1.965 40.001 1.00 52.22 C

ATOM 4011 CGI ILE B 293 -50.856 -2.326 38.504 1.00 52.74 C

ATOM 4012 CD1 ILE B 293 -49.972 -1.519 37.514 1.00 51.77 C

ATOM 4013 CG2 ILE B 293 -49.254 -1.807 40.471 1.00 51.26 C

ATOM 4014 C ILE B 293 -51.457 -2.775 42.368 1.00 53.17 C

ATOM 4015 or ILE B 293 -52.108 -1.860 42.876 1.00 53.09 o

ATOM 4016 N LEU B 294 -50.729 -3.635 43.083 1.00 55.63 N

ATOM 4017 CA LEU B 294 -50.876 -3.748 44.586 1.00 57.36 C ATOM 4018 CB LEU B 294 -50.981 -5.234 45.022 1.00 56.76 C

ATOM 4019 CG LEU B 294 -52. 123 -6. 089 44. 417 1. 00 55.15 C

ATOM 4020 CD1 LEU B 294 -51. 742 -7. 558 44. 472 1. 00 55.65 C

ATOM 4021 CD2 LEU B 294 -53. 449 -5. 851 45. 117 1. 00 56.00 C

ATOM 4022 C LEU B 294 -49. 856 -2. 976 45. 474 1. 00 58.17 C

ATOM 4023 or LEU B 294 -50.016 -2 !.948 46.700 1 ..00 58.86 O

ATOM 4024 N ARG B 295 -48. 832 -2. 386 44. 840 1. 00 58.84 N

ATOM 4025 CA ARG B 295 -47. 830 -1. 461 45. 425 1. 00 59.23 C

ATOM 4026 CB ARG B 295 -46. 423 -1. 972 45. 158 1. 00 58.00 C

ATOM 4027 CG ARG B 295 -45. 891 -2. 994 45. 984 1. 00 57.02 C

ATOM 4028 CD ARG B 295 -44. 346 -2. 942 45. 812 1. 00 56.37 C

ATOM 4029 NE ARG B 295 -43. 847 -3. 639 44. 635 1. 00 54.56 N

ATOM 4030 CZ ARG B 295 -42. 654 -3. 436 44. 077 1. 00 57.80 C

ATOM 4031 NH1 ARG B 295 -41. 836 -2. 497 44. 571 1. 00 61.33 N

ATOM 4032 NH2 ARG B 295 -42. 276 -4. 135 43. 004 1. 00 55.08 N

ATOM 4033 C ARG B 295 -47. 856 -0. 138 44. 631 1. 00 60.16 C

ATOM 4034 or ARG B 295 -4£ 1.438 -0 1.074 43 1.541 1 .. oc 1 60.66 O

ATOM 4035 N LYS B 296 -47. 140 0. 879 45. 118 1. 00 60.43 N

ATOM 4036 CA LYS B 296 -46. 727 2. 000 44. 267 1. 00 60.53 C

ATOM 4037 CB LYS B 296 -46. 629 3. 327 45. 037 1. 00 60.55 C

ATOM 4038 CG LYS B 296 -45. 945 4. 484 44. 246 1. 00 63.40 c

ATOM 4039 CD LYS B 296 -45. 279 5. 597 45. 153 1. 00 64.01 c

ATOM 4040 CE LYS B 296 -44. 175 6. 403 44. 393 1. 00 66.82 c

ATOM 4041 NZ LYS B 296 -43. 014 5. 527 43. 940 1. 00 69.03 N

ATOM 4042 C LYS B 296 -45. 384 1. 551 43. 737 1. 00 58.94 C

ATOM 4043 or LYS B 296 -44 .476 1 .311 44 .515 1 .00 1 59.17 O

ATOM 4044 N VAL B 297 -45. 277 1. 361 42. 419 1. 00 57.81 N

ATOM 4045 CA VAL B 297 -44. 014 0. 966 41. 791 1. 00 56.36 C

ATOM 4046 CB VAL B 297 -44. 167 -0. 325 40. 874 1. 00 55.77 C

ATOM 4047 CGI VAL B 297 -42. 810 -0. 797 40. 302 1. 00 52.74 c

ATOM 4048 CG2 VAL B 297 -44. 837 -1. 507 41. 663 1. 00 55.44 c

ATOM 4049 C VAL B 297 -43. 450 2. 200 41. 057 1. 00 56.92 c

ATOM 4050 or VAL B 297 -44 .208 3 .072 40 1.621 1 .00 1 56.51 o

ATOM 4051 N GLU B 298 -42. 125 2. 260 40. 937 1. 00 58.11 N

ATOM 4052 CA GLU B 298 -41. 416 3. 476 40. 535 1. 00 60.00 C

ATOM 4053 CB GLU B 298 -40. 435 3. 931 41. 643 1. 00 60.18 C

ATOM 4054 CG GLU B 298 -40. 307 5. 467 41. 707 1. 00 63.92 C

ATOM 4055 CD GLU B 298 -39. 063 5. 945 42. 469 1. 00 65.66 c

ATOM 4056 OE1 GLU B 298 -39. 092 5. 856 43. 720 1. 00 71.94 0

ATOM 4057 OE2 GLU B 298 -38. 072 6. 420 41. 822 1. 00 72.49 0

ATOM 4058 C GLU B 298 -40. 675 3. 392 39. 225 1. 00 58.00 c ATOM 4059 or GLU B 298 -40.776 4.309 38.403 1.00 58.63 O

ATOM 4060 N LYS B 299 -39. 879 2.339 39. 071 1.00 56.58 N

ATOM 4061 CA LYS B 299 -39. 225 2.014 37. 824 1.00 55.70 C

ATOM 4062 CB LYS B 299 -37. 711 1.895 38. 025 1.00 56.59 C

ATOM 4063 CG LYS B 299 -36. 989 3.184 38. 394 1.00 59.30 C

ATOM 4064 CD LYS B 299 -35. 573 3.092 37. 825 1.00 65.60 C

ATOM 4065 CE LYS B 299 -34. 502 3.636 38. 796 1.00 71.27 C

ATOM 4066 NZ LYS B 299 -34. 880 4.873 39. 584 1.00 72.76 N

ATOM 4067 C LYS B 299 -39. 777 0.685 37. 218 1.00 54.77 C

ATOM 4068 or LYS B 299 -4C .239 -0.198 37 .942 1.0C 54.32 O

ATOM 4069 N ILE B 300 -39. 647 0.530 35. 904 1.00 53.16 N

ATOM 4070 CA ILE B 300 -40. 326 -0.534 35. 193 1.00 52.44 C

ATOM 4071 CB ILE B 300 -40. 470 -0.206 33. 680 1.00 50.76 C

ATOM 4072 CGI ILE B 300 -41. 940 -0.419 33. 206 1.00 47.67 c

ATOM 4073 CD1 ILE B 300 -42. 319 -1.542 32. 560 1.00 35.40 c

ATOM 4074 CG2 ILE B 300 -39. 191 -0.576 32. 864 1.00 48.58 c

ATOM 4075 C ILE B 300 -39. 717 -1.914 35. 449 1.00 53.81 c

ATOM 4076 or ILE B 300 -40 .440 -2.927 35 .407 1.0C 54.40 0

ATOM 4077 N ASP B 301 -38. 413 -1.921 35. 755 1.00 53.91 N

ATOM 4078 CA ASP B 301 -37. 670 -3.130 36. 080 1.00 53.60 C

ATOM 4079 CB ASP B 301 -36. 157 -2.889 36. 045 1.00 53.35 C

ATOM 4080 CG ASP B 301 -35. 668 -2.505 34. 691 1.00 54.60 c

ATOM 4081 OD1 ASP B 301 -35. 487 -3.440 33. 887 1.00 55.56 0

ATOM 4082 OD2 ASP B 301 -35. 420 -1.285 34. 450 1.00 56.44 0

ATOM 4083 C ASP B 301 -38. 047 -3.678 37. 443 1.00 52.42 c

ATOM 4084 or ASP B 301 -37 .682 -4.803 37 .757 1.00 51.55 0

ATOM 4085 N ASP B 302 -38. 769 -2.877 38. 216 1.00 52.19 N

ATOM 4086 CA ASP B 302 -39. 145 -3.184 39. 594 1.00 53.39 C

ATOM 4087 CB ASP B 302 -39. 394 -1.897 40. 402 1.00 54.00 C

ATOM 4088 CG ASP B 302 -38. 119 -1.059 40. 696 1.00 57.24 C

ATOM 4089 OD1 ASP B 302 -36. 964 -1.515 40. 432 1.00 57.25 O

ATOM 4090 OD2 ASP B 302 -38. 335 0.106 41. 206 1.00 60.61 O

ATOM 4091 C ASP B 302 -40. 442 -4.010 39. 782 1.00 53.17 c

ATOM 4092 or ASP B 302 -40 .655 -4.561 40 .872 1.00 54.62 0

ATOM 4093 N PHE B 303 -41. 352 -4.002 38. 806 1.00 51.77 N

ATOM 4094 CA PHE B 303 -42. 603 -4.817 38. 873 1.00 49.96 c

ATOM 4095 CB PHE B 303 -43. 449 -4.654 37. 599 1.00 47.08 C

ATOM 4096 CG PHE B 303 -44. 239 -3.390 37. 560 1.00 42.08 C

ATOM 4097 CD1 PHE B 303 -45. 299 -3.189 38. 431 1.00 37.27 C

ATOM 4098 CE1 PHE B 303 -46. 016 -2.024 38. 384 1.00 34.33 C

ATOM 4099 CZ PHE B 303 -45. 701 -1.009 37. 431 1.00 34.41 c ATOM 4100 CE2 PHE B 303 -44.646 -1.176 36.567 1.00 30.23 C

ATOM 4101 CD2 PHE B 303 -43. 933 -2.379 36.624 1.00 38. 98 C

ATOM 4102 C PHE B 303 -42. 269 -6.297 39.098 1.00 50. 10 C

ATOM 4103 or PHE B 303 -41.356 -6.847 38.491 1.00 49.67 O

ATOM 4104 N LYS B 304 -42. 987 -6.918 40.006 1.00 51. 95 N

ATOM 4105 CA LYS B 304 -42. 861 -8.371 40.218 1.00 54. 39 C

ATOM 4106 CB LYS B 304 -42. 483 -8.696 41.684 1.00 53. 56 C

ATOM 4107 CG LYS B 304 -41. 044 -8.451 42.060 1.00 58. 21 C

ATOM 4108 CD LYS B 304 -40. 901 -8.456 43.604 1.00 58. 11 C

ATOM 4109 CE LYS B 304 -39. 676 -7.578 44.085 1.00 64. 28 C

ATOM 4110 NZ LYS B 304 -39. 442 -7.525 45.599 1.00 61. 86 N

ATOM 4111 C LYS B 304 -44. 240 -8.906 39.938 1.00 53. 13 C

ATOM 4112 or LYS B 304 -4Ξ .227 -8.206 40.181 1.0C 51 .97 O

ATOM 4113 N ALA B 305 -44. 315 - 10.169 39.525 1.00 54. 08 N

ATOM 4114 CA ALA B 305 -45. 624 - 10.808 39.267 1.00 55. 01 C

ATOM 4115 CB ALA B 305 -45. 444 - 12.312 38.933 1.00 54. 06 C

ATOM 4116 C ALA B 305 -46. 667 - 10.560 40.392 1.00 55. 60 C

ATOM 4117 or ALA B 305 -47 .866 -10.352 40.130 1.0C 55 .29 O

ATOM 4118 N GLU B 306 -46. 179 - 10.485 41.636 1.00 56. 10 N

ATOM 4119 CA GLU B 306 -47. 043 - 10.460 42.800 1.00 57. 38 C

ATOM 4120 CB GLU B 306 -46. 296 - 10.946 44.047 1.00 58. 46 C

ATOM 4121 CG GLU B 306 -45. 673 - 12.339 43.827 1.00 64. 37 C

ATOM 4122 CD GLU B 306 -44. 360 - 12.293 43.026 1.00 71. 06 C

ATOM 4123 OE1 GLU B 306 -43. 697 - 11.232 43.065 1.00 75. 37 O

ATOM 4124 OE2 GLU B 306 -43. 976 - 13.303 42.371 1.00 74. 18 0

ATOM 4125 C GLU B 306 -47. 638 -9.110 43.042 1.00 56. 54 c

ATOM 4126 or GLU B 306 -48 .390 -8.947 44.006 1.00 56 .78 0

ATOM 4127 N ASP B 307 -47. 324 -8.142 42.166 1.00 56. 16 N

ATOM 4128 CA ASP B 307 -47. 884 -6.770 42.270 1.00 55. 03 C

ATOM 4129 CB ASP B 307 -46. 918 -5.714 41.722 1.00 55. 11 C

ATOM 4130 CG ASP B 307 -45. 633 -5.653 42.500 1.00 55. 34 c

ATOM 4131 OD1 ASP B 307 -45. 707 -5.707 43.761 1.00 57. 00 0

ATOM 4132 OD2 ASP B 307 -44. 562 -5.575 41.851 1.00 54. 83 0

ATOM 4133 C ASP B 307 -49. 196 -6.621 41.553 1.00 54. 77 c

ATOM 4134 or ASP B 307 -49 .813 -5.569 41.634 1.00 54 .50 0

ATOM 4135 N PHE B 308 -49. 599 -7.665 40.833 1.00 53. 88 N

ATOM 4136 CA PHE B 308 -50. 816 -7.609 40.061 1.00 53. 85 C

ATOM 4137 CB PHE B 308 -50. 516 -7.866 38.605 1.00 52. 98 C

ATOM 4138 CG PHE B 308 -49. 465 -6.976 38.034 1.00 51. 02 C

ATOM 4139 CD1 PHE B 308 -48. 108 -7.398 37.987 1.00 51. 12 C

ATOM 4140 CE1 PHE B 308 -47. 138 -6.610 37.437 1.00 48. 78 C ATOM 4141 CZ PHE B 308 -47.508 -5.407 36.886 1.00 45.67 C

ATOM 4142 CE2 PHE B 308 -48. 803 -5.000 36.908 1.00 48.69 C

ATOM 4143 CD2 PHE B 308 -49. 806 -5.773 37.490 1.00 46.58 C

ATOM 4144 C PHE B 308 -51. 868 -8.612 40.489 1.00 54.35 C

ATOM 4145 or PHE B 308 -51.586 -9.774 40.740 1.00 53.82 o TOM 4146 N GLN B 309 -53. 095 -8.136 40.524 1.00 54.87 N

ATOM 4147 CA GLN B 309 -54. 207 -8.971 40.757 1.00 55.94 C

ATOM 4148 CB GLN B 309 -54. 690 -8.689 42.165 1.00 56.74 c

ATOM 4149 CG GLN B 309 -55. 684 -9.686 42.659 1.00 61.20 c

ATOM 4150 CD GLN B 309 -55. 853 -9.513 44.109 1.00 69.85 c

ATOM 4151 OEl GLN B 309 -55. 381 - -10.345 44.883 1.00 73.46 o

ATOM 4152 NE2 GLN B 309 -56. 453 -8.377 44.522 1.00 72.16 N

ATOM 4153 C GLN B 309 -55. 351 -8.738 39.758 1.00 55.07 c

ATOM 4154 or GLN B 309 -5E .926 -7.653 39.722 1.0C 55.05 o

ATOM 4155 N ILE B 310 -55. 689 -9.767 38.971 1.00 54.38 N

ATOM 4156 CA ILE B 310 -56. 941 -9.788 38.174 1.00 53.51 c

ATOM 4157 CB ILE B 310 -56. 818 - 10.821 37.018 1.00 53.34 C

ATOM 4158 CGI ILE B 310 -55. 963 - 10.298 35.857 1.00 52.67 C

ATOM 4159 CD1 ILE B 310 -56. 570 -9.121 34.957 1.00 50.50 C

ATOM 4160 CG2 ILE B 310 -58. 148 - 11.342 36.541 1.00 51.88 C

ATOM 4161 C ILE B 310 -58. 160 - 10.079 39.105 1.00 54.66 C

ATOM 4162 or ILE B 310 -58 .088 -10.964 39.974 1.00 55.40 o

ATOM 4163 N GLU B 311 -59. 256 -9.324 38.945 1.00 54.00 N

ATOM 4164 CA GLU B 311 -60. 431 -9.387 39.781 1.00 53.64 C

ATOM 4165 CB GLU B 311 -60. 600 -8.084 40.495 1.00 54.70 C

ATOM 4166 CG GLU B 311 -60. 248 -8.111 41.952 1.00 60.13 C

ATOM 4167 CD GLU B 311 -60. 229 -6.713 42.527 1.00 67.97 C

ATOM 4168 OEl GLU B 311 -61. 199 -5.911 42.283 1.00 67.67 o TOM 4169 OE2 GLU B 311 -59. 208 -6.420 43.205 1.00 71.63 o

ATOM 4170 C GLU B 311 -61. 658 -9.497 38.935 1.00 53.03 c

ATOM 4171 or GLU B 311 -61 .755 -8.835 37.911 1.00 53.92 o TOM 4172 N GLY B 312 -62. 629 - 10.299 39.364 1.00 51.36 N TOM 4173 CA GLY B 312 -63. 888 - 10.416 38.632 1.00 48.03 C

ATOM 4174 C GLY B 312 -63. 709 - 11.195 37.355 1.00 46.27 C TOM 4175 or GLY B 312 -64 .506 -11.030 36.434 1.00 46.51 o

ATOM 4176 N TYR B 313 -62. 674 - 12.035 37.265 1.00 44.25 N

ATOM 4177 CA TYR B 313 -62. 487 - 12.794 36.029 1.00 43.44 C

ATOM 4178 CB TYR B 313 -61. 029 - 13.119 35.782 1.00 39.14 C

ATOM 4179 CG TYR B 313 -60. 736 - 13.758 34.418 1.00 36.26 C TOM 4180 CD1 TYR B 313 -61. 296 - 13.250 33.238 1.00 28.55 C

ATOM 4181 CE1 TYR B 313 -61. 011 - 13.830 31.973 1.00 26.58 C ATOM 4182 CZ TYR B 313 -60.087 -14.855 31.889 1.00 28.81 C

ATOM 4183 OH TYR B 313 -59.852 -15.353 30.633 1.00 31.93 o

ATOM 4184 CE2 TYR B 313 -59.486 -15.392 33.016 1.00 23.18 C

ATOM 4185 CD2 TYR B 313 -59.800 -14.836 34.285 1.00 31.62 C

ATOM 4186 C TYR B 313 -63.289 -14.109 36.063 1.00 46.69 C

ATOM 4187 or TYR B 313 -63.059 -14.948 36.948 1.00 48.87 o

ATOM 4188 N ASN B 314 -64.092 -14.345 35.030 1.00 47.44 N

ATOM 4189 CA ASN B 314 -65.201 -15.293 35.039 1.00 47.25 C

ATOM 4190 CB ASN B 314 -66.418 -14.449 35.308 1.00 49.98 C

ATOM 4191 CG ASN B 314 -67.363 -15.090 36.234 1.00 57.25 C

ATOM 4192 ODl ASN B 314 -68.558 -15.312 35.894 1.00 63.17 o

ATOM 4193 ND2 ASN B 314 -66.860 -15.415 37.435 1.00 62.83 N

ATOM 4194 C ASN B 314 -65.401 -15.884 33.643 1.00 44.60 C

ATOM 4195 or ASN B 314 -66.447 -15.688 33.043 1.00 45.18 o

ATOM 4196 N PRO B 315 -64.366 -16.508 33.071 1.00 41.55 N

ATOM 4197 CA PRO B 315 -64.443 -16.916 31.706 1.00 42.08 C

ATOM 4198 CB PRO B 315 -62.984 -17.150 31.340 1.00 39.16 C

ATOM 4199 CG PRO B 315 -62.359 -17.424 32.521 1.00 37.66 C

ATOM 4200 CD PRO B 315 -63.056 -16.808 33.652 1.00 40.60 C

ATOM 4201 C PRO B 315 -65.299 -18.183 31.475 1.00 44.62 c

ATOM 4202 or PRO B 315 -65.695 -18.843 32.471 1.00 45.37 o

ATOM 4203 N HIS B 316 -65.626 -18.428 30.196 1.00 44.25 N

ATOM 4204 CA HIS B 316 -66.176 -19.646 29.691 1.00 45.50 C

ATOM 4205 CB HIS B 316 -66.658 -19.459 28.272 1.00 45.31 C

ATOM 4206 CG HIS B 316 -67.973 -18.745 28.194 1.00 49.23 C

ATOM 4207 ND1 HIS B 316 -69.186 -19.387 28.354 1.00 50.98 N

ATOM 4208 CE1 HIS B 316 -70.168 -18.514 28.250 1.00 48.61 C

ATOM 4209 NE2 HIS B 316 -69.641 -17.318 28.072 1.00 54.61 N

ATOM 4210 CD2 HIS B 316 -68.269 -17.429 28.044 1.00 52.84 C

ATOM 4211 C HIS B 316 -65.009 -20.583 29.716 1.00 46.24 C

ATOM 4212 or HIS B 316 -63.884 -20.110 29.881 1.00 47.55 o

ATOM 4213 N PRO B 317 -65.251 -21.917 29.600 1.00 45.51 N

ATOM 4214 CA PRO B 317 -64.124 -22.873 29.663 1.00 43.51 C

ATOM 4215 CB PRO B 317 -64.793 -24.264 29.479 1.00 42.07 C

ATOM 4216 CG PRO B 317 -66.136 -24.066 29.856 1.00 45.43 C

ATOM 4217 CD PRO B 317 -66.546 -22.625 29.467 1.00 46.18 C

ATOM 4218 C PRO B 317 -63.033 -22.676 28.604 1.00 41.66 C

ATOM 4219 or PRO B 317 -63.268 -22.201 27.500 1.00 41.86 o

ATOM 4220 N THR B 318 -61.843 -23.122 28.958 1.00 40.78 N

ATOM 4221 CA THR B 318 -60.724 -23.256 28.064 1.00 39.30 C

ATOM 4222 CB THR B 318 -59.605 -24.148 28.759 1.00 39.19 C ATOM 4223 OGl THR B 318 -59.223 -23.560 30.008 1.00 37.01 o

ATOM 4224 CG2 THR B 318 -58. 407 -24. 376 27. 927 1 .00 36. 82 C

ATOM 4225 C THR B 318 -61. 139 -23. 909 26. 791 1 .00 41. 12 C

ATOM 4226 or THR B 318 -61.893 -24 929 26.795 1.00 42 !.57 o

ATOM 4227 N ILE B 319 -60. 604 -23. 383 25. 697 1 .00 41. 08 N

ATOM 4228 CA ILE B 319 -60. 633 -24. 000 24. 425 1 .00 42. 45 C

ATOM 4229 CB ILE B 319 -61. 230 -23. 113 23. 379 1 .00 41. 17 C

ATOM 4230 CGI ILE B 319 -62. 693 -22. 866 23. 735 1 .00 41. 42 C

ATOM 4231 CD1 ILE B 319 -63. 389 -21. 954 22. 787 1 .00 40. 91 C

ATOM 4232 CG2 ILE B 319 -60. 963 -23. 691 21. 972 1 .00 35. 88 C

ATOM 4233 C ILE B 319 -59. 210 -24. 315 24. 072 1 .00 46. 25 C

ATOM 4234 or ILE B 319 -58 1.345 -23 1.457 24 :.205 1.0C 1 4S 1.57 o

ATOM 4235 N LYS B 320 -58. 939 -25. 549 23. 664 1 .00 47. 99 N

ATOM 4236 CA LYS B 320 -57. 632 -25. 881 23. 186 1 .00 49. 61 C

ATOM 4237 CB LYS B 320 -57. 197 -27. 271 23. 624 1 .00 48. 28 C

ATOM 4238 CG LYS B 320 -57. 262 -27. 328 25. 105 1 .00 51. 07 C

ATOM 4239 CD LYS B 320 -56. 001 -27. 908 25. 707 1 .00 60. 12 C

ATOM 4240 CE LYS B 320 -56. 254 -28. 608 27. 112 1 .00 61. 74 C

ATOM 4241 NZ LYS B 320 -56. 919 -27. 886 28. 281 1 .00 57. 63 N

ATOM 4242 C LYS B 320 -57. 682 -25. 791 21. 702 1 .00 51. 10 C

ATOM 4243 or LYS B 320 -58.506 -26 ..412 21 .063 1.00 52 .00 o

ATOM 4244 N MET B 321 -56. 828 -24. 959 21. 141 1 .00 53. 13 N

ATOM 4245 CA MET B 321 -56. 536 -25. 062 19. 720 1 .00 53. 72 C

ATOM 4246 CB MET B 321 -56. 893 -23. 789 18. 909 1 .00 52. 83 C

ATOM 4247 CG MET B 321 -57. 275 -22. 467 19. 651 1 .00 52. 16 C

ATOM 4248 SD MET B 321 -58. 752 -21. 711 18. 863 1 .00 48. 12 S

ATOM 4249 CE MET B 321 -59. 473 -20. 989 20. 285 1 .00 34. 87 C

ATOM 4250 C MET B 321 -55. 051 -25. 314 19. 712 1 .00 56. 90 c

ATOM 4251 or MET B 321 -54 .336 -24 .787 20.588 1.00 57 .66 o

ATOM 4252 N GLU B 322 -54. 614 -26. 189 18. 813 1 .00 59. 57 N

ATOM 4253 CA GLU B 322 -53. 290 -26. 066 18. 201 1 .00 61. 41 C

ATOM 4254 CB GLU B 322 -52. 099 -26. 152 19. 202 1 .00 62. 66 C

ATOM 4255 CG GLU B 322 -50. 729 -25. 469 18. 711 1 .00 63. 14 C

ATOM 4256 CD GLU B 322 -50. 673 -25. 305 17. 178 1 .00 69. 41 C

ATOM 4257 OEl GLU B 322 -51. 716 -24. 862 16. 642 1 .00 71. 08 o

ATOM 4258 OE2 GLU B 322 -49. 647 -25. 612 16. 495 1 .00 69. 30 o

ATOM 4259 C GLU B 322 -53. 184 -27. 114 17. 088 1 .00 62. 68 c

ATOM 4260 or GLU B 322 -53 .229 -26.774 15.892 1.00 62 .90 o

ATOM 4261 owo HOH Z 1 -62. 092 -26. 782 29. 072 1 .00 60. 46 o

ATOM 4262 owo HOH Z 3 -48. 676 11. 798 22. 080 1 .00 31. 62 o

ATOM 4263 OWO HOH Z 4 -58. 333 8. 784 21. 141 1 .00 30. 68 o ATOM 4264 OWO HOH Z 5 -57.212 11 156 -2.632 1 00 30.38 O

ATOM 4265 OWO HOH Z 6 -55 .456 -30 378 29 .019 1 00 45 .70 O

ATOM 4266 OWO HOH Z 7 -46 .552 8 799 19 .877 1 00 31 .29 O

ATOM 4267 O O HOH Z 8 -48 .891 -11 856 1 489 1 00 31 09 O

ATOM 4268 OWO HOH Z 9 -58 .604 -21 272 26 340 1 00 23 88 O

ATOM 4269 OWO HOH Z 10 -58 .317 -8 730 2 556 1 00 28 44 O

ATOM 4270 OWO HOH Z 11 -58 .625 21 229 -2 625 1 00 27 36 O

ATOM 4271 OWO HOH Z 12 -38 .023 14 715 25 261 1 00 33 01 O

ATOM 4272 OWO HOH Z 13 -60 .630 18 907 24 621 1 00 48 88 O

ATOM 4273 OWO HOH Z 14 -57 .542 6 034 8 523 1 00 25 85 O

ATOM 4274 OWO HOH Z 15 -59 683 -17. 362 21 027 1 00 33 60 O

ATOM 4275 OWO HOH Z 16 -54 903 8 433 25 655 1 00 35 14 O

ATOM 4276 OWO HOH Z 17 -46 878 -11. 352 27 571 1 00 32 69 O

ATOM 4277 OWO HOH Z 18 -57 267 -11. 136 26 130 1 00 32 59 O

ATOM 4278 OWO HOH Z 19 -46 707 -8. 827 3 810 1 00 33 36 O

ATOM 4279 OWO HOH Z 20 -52 227 -16. 148 6 260 1 00 30 12 O

ATOM 4280 OWO HOH Z 21 -52 270 16. 153 17 356 1 00 29 85 O

ATOM 4281 OWO HOH Z 22 -26 656 13. 747 0 174 1 00 66 24 O

ATOM 4282 OWO HOH Z 23 -57 455 -6. 124 15 016 1 00 26 69 O

ATOM 4283 OWO HOH Z 24 -49 751 16. 159 19 010 1 00 37 67 0

ATOM 4284 OWO HOH Z 25 -50 294 13. 707 7 225 1. 00 37 22 0

ATOM 4285 OWO HOH Z 26 -50 262 -13. 667 16 414 1. 00 36 87 0

ATOM 4286 OWO HOH Z 27 -59 023 2. 633 -11 865 1. 00 43 63 0

ATOM 4287 OWO HOH Z 28 -55 961 -19. 061 14 401 1. 00 37 63 0

ATOM 4288 OWO HOH z 30 -59 714 17. 448 2 644 1. 00 34 23 0

ATOM 4289 OWO HOH z 31 -43 199 3. 830 3 204 1. 00 36 46 o

ATOM 4290 OWO HOH z 32 -43 235 -3. 798 20 455 1. 00 35 23 0

ATOM 4291 OWO HOH z 33 -54 821 -8. 408 -2 003 1. 00 32 79 0

ATOM 4292 OWO HOH z 34 -63 515 -2. 320 25 308 1. 00 43 46 o

ATOM 4293 OWO HOH z 35 -52 065 -1. 716 -11 825 1. 00 49 87 o

ATOM 4294 OWO HOH z 36 -56 650 17. 886 -10 222 1. 00 48 57 o

ATOM 4295 OWO HOH z 37 -64 291 -25. 575 25 857 1. 00 31 27 o

ATOM 4296 OWO HOH z 38 -55 908 19. 073 9 173 1. 00 45 82 o

ATOM 4297 OWO HOH z 39 -62 351 7. 059 18 662 1. 00 35 99 o

ATOM 4298 OWO HOH z 40 -60 509 -18. 688 -1 386 1. 00 49 64 o

ATOM 4299 OWO HOH z 41 -57 830 -7. 480 18 209 1. 00 43 10 0

ATOM 4300 OWO HOH z 42 -41 995 -11. 549 38 937 1. 00 46 25 0

ATOM 4301 OWO HOH z 43 -46 677 20. 015 22 212 1. 00 40 11 o

ATOM 4302 OWO HOH z 44 -62 265 -7. 087 5 027 1. 00 37 44 0

ATOM 4303 OWO HOH z 45 -45 789 -17. 529 8 111 1. 00 42 14 o

ATOM 4304 OWO HOH z 46 -61 385 -6. 504 7 377 1. 00 44 02 0 ATOM 4305 OW0 HOH Z 47 -50 257 -15.067 -2 102 1.00 46 53 O

ATOM 4306 OWO HOH Z 48 -67 705 -4 .081 20 952 1 .00 44 80 O

ATOM 4307 OWO HOH Z 49 -45 735 17 .645 15 577 1 .00 44 09 O

ATOM 4308 OWO HOH Z 50 -51 136 -19 .114 -0 334 1 .00 34 13 O

ATOM 4309 OWO HOH Z 51 -52 035 1 .766 35 449 1 .00 45 70 O

ATOM 4310 OWO HOH Z 52 -62 847 -3 .086 -0 100 1 00 61 36 O

ATOM 4311 OWO HOH Z 53 -38 960 -2 .930 -10 683 1 00 37 91 O

ATOM 4312 OWO HOH Z 54 -67 800 4 .161 2 732 1 00 43 13 O

ATOM 4313 OWO HOH Z 55 -57 304 -6 .799 0 863 1 00 36 39 O

ATOM 4314 OWO HOH Z 56 -39 318 9 .935 10. 783 1 00 42 46 O

ATOM 4315 OWO HOH Z 57 -46 928 11 435 -3. 886 1 00 37 58 O

ATOM 4316 OWO HOH Z 58 -39 285 -9 787 12. 884 1 00 41 79 O

ATOM 4317 OWO HOH Z 59 -66 930 5 472 -6. 249 1 00 42 09 O

ATOM 4318 OWO HOH Z 60 -63 407 2 443 -1. 771 1 00 41. 07 O

ATOM 4319 OWO HOH Z 61 -49 647 -16 176 4. 901 1 00 45. 91 O

ATOM 4320 OWO HOH Z 62 -64 644 -11 299 33. 922 1 00 48. 36 O

ATOM 4321 OWO HOH Z 63 -54 300 -24 251 22. 650 1 00 43. 46 O

ATOM 4322 OWO HOH Z 64 -61 344 6 419 16. 235 1 00 47. 67 O

ATOM 4323 OWO HOH Z 65 -50 187 15 115 25. 791 1 00 41. 05 O

ATOM 4324 OWO HOH Z 66 -27 779 -18 033 24. 567 1 00 74. 09 O

ATOM 4325 OWO HOH Z 67 -61. 717 6 765 23. 029 1 00 32. 75 O

ATOM 4326 OWO HOH Z 68 -56. 858 21 285 0. 971 1 00 49. 49 O

ATOM 4327 OWO HOH Z 69 -61. 264 1 486 13. 361 1 00 34. 09 O

ATOM 4328 OWO HOH Z 70 -60. 821 -22 363 -0. 866 1 00 67. 61 O

ATOM 4329 OWO HOH z 71 -61. 620 -6 682 0. 718 1 00 34. 73 O

ATOM 4330 OWO HOH z 72 -66. 820 -5 509 29. 924 1 00 42. 00 0

ATOM 4331 OWO HOH z 73 -57. 285 6 756 22. 796 1 00 34. 65 0

ATOM 4332 OWO HOH z 74 -72. 530 -6 024 24. 503 1 00 58. 90 0

ATOM 4333 OWO HOH z 75 -68. 801 10 009 15. 951 1 00 54. 41 0

ATOM 4334 OWO HOH z 76 -53. 668 -17 843 34. 647 1 00 46. 59 0

ATOM 4335 OWO HOH z 77 -56. 198 28 425 12. 605 1 00 49. 21 0

ATOM 4336 OWO HOH z 78 -56. 899 -21 430 22. 627 1 00 48. 63 0

ATOM 4337 OWO HOH z 79 -71. 307 14 581 2. 689 1 00 49. 77 0

ATOM 4338 OWO HOH z 80 -61. 694 4 893 11. 587 1 00 46. 15 0

ATOM 4339 OWO HOH z 81 -51. 171 19 188 23. 848 1 00 34. 79 0

ATOM 4340 OWO HOH z 82 -61. 044 22 255 24. 091 1 00 64. 51 0

ATOM 4341 OWO HOH z 83 -61. 688 -4 685 11. 500 1 00 48. 60 0

ATOM 4342 OWO HOH z 84 -45. 916 -10 471 23. 105 1. 00 60. 67 0

ATOM 4343 OWO HOH z 85 -41. 262 -13 872 34. 950 1 00 40. 37 0

ATOM 4344 OWO HOH z 86 -33. 567 -4 539 32. 353 1 00 52. 65 0

ATOM 4345 OWO HOH z 88 -58. 378 1 849 34. 483 1 00 49. 07 0 ATOM 4346 OWO HOH Z 89 -51.764 14.681 29.884 1.00 45 77 O

ATOM 4347 OWO HOH Z 90 -62 .638 3 .125 23 .634 1 .00 60 20 O

ATOM 4348 OWO HOH Z 91 -55 .010 17 .404 0 .569 1 .00 39 32 O

ATOM 4349 OWO HOH Z 92 -57 .892 7 .536 5 .644 1 .00 45 52 O

ATOM 4350 OWO HOH Z 93 -68 .681 -9 .901 7 534 1 00 47 04 O

ATOM 4351 OWO HOH Z 94 -54 .115 25 .408 14 364 1 00 71 14 O

ATOM 4352 OWO HOH Z 96 -62 .113 -0 .270 41 054 1 00 52 53 O

ATOM 4353 OWO HOH Z 97 -54 .626 -25 .280 9 229 1 00 63 01 O

ATOM 4354 OWO HOH Z 98 -38 .847 2 .947 34 228 1 00 36 28 O

ATOM 4355 OWO HOH Z 100 -44 227 14 868 17 709 1 00 37 84 O

ATOM 4356 OWO HOH Z 101 -46 686 -12 904 -7 296 1 00 37 10 O

ATOM 4357 OWO HOH Z 102 -53 241 16 752 27 366 1 00 48 61 O

ATOM 4358 OWO HOH z 103 -62 091 -26 761 12 371 1 00 60 85 O

ATOM 4359 OWO HOH z 104 -41 209 13 780 -11 227 1 00 42. 43 O

ATOM 4360 OWO HOH z 106 -59 053 -2 562 35 488 1 00 48 11 O

ATOM 4361 OWO HOH z 107 -61 918 -0 280 -14 460 1 00 63. 62 O

ATOM 4362 OWO HOH z 109 -62 299 0 305 37 977 1 00 69. 95 O

ATOM 4363 OWO HOH z 110 -49 167 -17 001 12 366 1 00 36. 39 O

ATOM 4364 OWO HOH z 111 -45 103 -8 196 20 086 1 00 55. 73 O

ATOM 4365 OWO HOH z 113 -54 338 18 284 -2 286 1 00 53. 26 O

ATOM 4366 OWO HOH z 115 -53 718 17 842 -11 226 1. 00 48. 45 O

ATOM 4367 OWO HOH z 116 -44 125 -10 006 21 618 1 00 68. 97 O

ATOM 4368 OWO HOH z 117 -58 244 4 629 33. 136 1. 00 45. 88 O

ATOM 4369 OWO HOH z 118 -73 841 17 019 -6. 336 1. 00 46. 08 O

ATOM 4370 OWO HOH z 119 -59 897 -2 384 6. 992 1. 00 41. 81 O

ATOM 4371 OWO HOH z 120 -60 863 8 486 20. 832 1. 00 35. 97 O

ATOM 4372 OWO HOH z 121 -54 402 24 180 1. 247 1. 00 50. 15 0

ATOM 4373 OWO HOH z 122 -56 008 29. 613 7. 729 1. 00 64. 13 0

ATOM 4374 OWO HOH z 123 -49 265 -14 328 -7. 183 1. 00 34. 30 0

ATOM 4375 OWO HOH z 124 -49 400 14 215 30. 884 1. 00 40. 34 0

ATOM 4376 OWO HOH z 125 -72 505 6 080 -1. 089 1. 00 56. 96 0

ATOM 4377 OWO HOH z 126 -44. 165 -9. 758 45. 623 1. 00 56. 23 0

ATOM 4378 OWO HOH z 128 -59. 725 23. 679 25. 926 1. 00 56. 23 0

ATOM 4379 OWO HOH z 129 -64. 328 17. 777 19. 335 1. 00 38. 62 0

ATOM 4380 OWO HOH z 130 -71. 984 -8. 843 25. 021 1. 00 44. 48 0

ATOM 4381 OWO HOH z 131 -38 784 -7. 414 34. 582 1. 00 56. 14 0

ATOM 4382 OWO HOH z 132 -56. 783 -17. 820 34. 000 1. 00 56. 43 0

ATOM 4383 OWO HOH z 133 -19. 810 10. 316 -7. 305 1. 00 69. 24 0

ATOM 4384 OWO HOH z 134 -51. 538 -14. 692 -6. 146 1. 00 46. 58 0

ATOM 4385 OWO HOH z 135 -66. 622 -1. 092 38. 354 1. 00 71. 18 0

ATOM 4386 OWO HOH z 136 -49. 264 16. 985 11. 389 1. 00 36. 92 0 ATOM 4387 owo HOH Z 137 -60.698 -11 501 2.218 1.00 48.14 o

ATOM 4388 owo HOH Z 138 -59 .071 -10 761 -0 .667 1 .00 40 .67 o

ATOM 4389 owo HOH Z 139 -71 .935 8 870 -1 .423 1 .00 42 .41 o

ATOM 4390 owo HOH Z 140 -65 .152 -6 733 12 .779 1 .00 41 .78 o

ATOM 4391 owo HOH Z 141 -40 .241 -5 726 35 .655 1 .00 44 .66 o

ATOM 4392 owo HOH Z 142 -67 .871 25 544 -0 .371 1 .00 46 .94 o

ATOM 4393 owo HOH Z 143 -71 .588 -24 220 20 .236 1 .00 67 .05 o

ATOM 4394 owo HOH Z 144 -58 048 -11 445 1 917 1 00 44 48 o

ATOM 4395 owo HOH Z 145 -69 850 9 847 6 262 1 00 48 67 o

ATOM 4396 owo HOH Z 146 -40 338 5 643 -12 025 1 00 46 53 o

ATOM 4397 owo HOH Z 147 -33 476 4 672 -8 624 1 00 56 89 o

ATOM 4398 owo HOH Z 148 -42 085 11 498 -15 204 1 00 54 76 o

ATOM 4399 owo HOH Z 149 -68 555 9 789 12 001 1 00 50 99 o

ATOM 4400 owo HOH Z 150 -71 892 22 906 5 601 1 00 55 54 o

ATOM 4401 owo HOH Z 151 -64 686 -30 401 15 081 1 00 56 19 o

ATOM 4402 owo HOH Z 152 -20 710 13 090 -5 719 1 00 68 68 o

ATOM 4403 owo HOH Z 153 -61 968 26. 735 11 139 1 00 57 52 o

ATOM 4404 owo HOH Z 154 -46 177 19. 957 12 993 1 00 59 42 o

ATOM 4405 owo HOH Z 156 -61 017 -8. 529 2 717 1 00 38 81 o

ATOM 4406 owo HOH Z 157 -53 164 -16. 831 -3 752 1 00 42 87 o

ATOM 4407 owo HOH Z 158 -66 411 -4. 040 27 464 1 00 54 22 o

ATOM 4408 o o HOH Z 159 -67 843 -25. 666 24 203 1 00 48 50 o

ATOM 4409 owo HOH Z 160 -65 885 -5. 901 14 825 1 00 48 66 o

ATOM 4410 owo HOH Z 161 -64 807 11. 322 -10 221 1 00 55 57 o

ATOM 4411 owo HOH z 162 -48 653 -14. 400 13 258 1 00 41. 38 o

ATOM 4412 owo HOH z 163 -51 900 -4. 312 -12 798 1. 00 41. 77 o

ATOM 4413 owo HOH z 164 -70 537 20. 109 8 360 1. 00 49. 48 o

ATOM 4414 owo HOH z 165 -63 746 -6. 244 40 750 1. 00 62. 26 o

ATOM 4415 owo HOH z 166 -54 967 -17. 400 22 932 1. 00 41. 23 o

ATOM 4416 owo HOH z 167 -50 943 -28. 992 16 086 1. 00 73. 32 o

ATOM 4417 owo HOH z 168 -45 240 8. 233 3 709 1. 00 56. 62 o

ATOM 4418 owo HOH z 169 -37 897 23. 402 14 671 1. 00 51. 35 o

ATOM 4419 owo HOH z 170 -57 184 30. 601 2 529 1. 00 48. 20 o

ATOM 4420 owo HOH z 171 -60. 878 23. 756 19. 867 1. 00 55. 13 o

ATOM 4421 owo HOH z 172 -71. 345 -14. 208 21. 186 1. 00 52. 16 o

ATOM 4422 owo HOH z 173 -54. 084 -22. 126 1. 691 1. 00 47. 44 o

ATOM 4423 owo HOH z 174 -67. 980 25. 861 8. 325 1. 00 46. 85 o

ATOM 4424 owo HOH z 175 -69. 567 -21. 673 29. 734 1. 00 78. 88 o

ATOM 4425 owo HOH z 176 -59. 747 1. 109 -13. 871 1. 00 51. 15 o

ATOM 4426 owo HOH z 177 -65. 204 7. 007 -13. 699 1. 00 56. 11 o

ATOM 4427 owo HOH z 178 -34 912 -8. 459 -2 965 1. 00 58. 00 o ATOM 4428 OWO HOH Z 179 -59.585 -1.059 37 653 1.00 45 91 o

ATOM 4429 OWO HOH Z 180 -38 010 -8 .041 -9 606 1 .00 52 80 o

ATOM 4430 OWO HOH Z 181 -56 194 -3 .837 44 632 1 .00 90 50 o

ATOM 4431 OWO HOH Z 182 -52 038 4 .481 36 416 1 .00 38 99 o

ATOM 4432 OWO HOH Z 183 -19 962 -10 .403 30 558 1 .00 67 18 o

ATOM 4433 OWO HOH Z 184 -38 061 8 .238 33 146 1 00 44 47 o

ATOM 4434 OWO HOH Z 185 -42 313 18 .199 10 227 1 00 64 59 o

ATOM 4435 OWO HOH Z 186 -46 839 12 .908 30 963 1 00 45 80 o

ATOM 4436 OWO HOH Z 187 -65 992 4 .680 -10 093 1 00 43 05 o

ATOM 4437 OWO HOH Z 188 -44 281 9 .239 -0 236 1 00 53 11 o

ATOM 4438 OWO HOH Z 189 -29 613 -9 .839 2 399 1 00 51 31 o

ATOM 4439 OWO HOH Z 190 -51 636 29 .475 7 432 1 00 77 94 o

ATOM 4440 OWO HOH Z 191 -56 752 -26 .610 16. 962 1 00 58 69 o

ATOM 4441 OWO HOH Z 192 -68 555 -2 .288 27. 606 1 00 51 08 o

ATOM 4442 OWO HOH Z 193 -44 083 -14 .784 6. 071 1 00 40 78 o

ATOM 4443 OWO HOH Z 194 -70 578 -20 .010 15. 345 1 00 45 34 o

ATOM 4444 OWO HOH Z 195 -45 989 -9 .432 18. 055 1 00 68 85 o

ATOM 4445 OWO HOH Z 196 -30 450 4 .088 24. 622 1 00 53 35 o

ATOM 4446 OWO HOH Z 197 -69 977 -16 .376 12. 218 1 00 56 97 o

ATOM 4447 OWO HOH Z 198 -65 000 -1 .178 -14. 021 1 00 74 48 o

ATOM 4448 OWO HOH Z 199 -61 384 -1 .431 10. 396 1 00 31 51 o

ATOM 4449 OWO HOH Z 200 -40 669 15 .183 13. 980 1 00 42 54 o TOM 4450 OWO HOH Z 201 -64 235 6 .435 -15. 989 1 00 58 25 o

ATOM 4451 OWO HOH z 202 -68 532 -9 .813 11. 469 1 00 47 13 o

ATOM 4452 OWO HOH z 203 -57 137 18 .429 25. 834 1 00 54 24 o

ATOM 4453 OWO HOH z 204 -57 149 -28 .941 10. 238 1 00 66 41 o TOM 4454 OWO HOH z 205 -70 006 21 .652 -6. 195 1 00 68 89 o

ATOM 4455 OWO HOH z 206 -38 859 7 .729 -11. 098 1 00 56 40 o

ATOM 4456 OWO HOH z 207 -66 892 1 .264 -14. 648 1 00 72 61 o

ATOM 4457 OWO HOH z 208 -45 454 -16 .756 28. 057 1 00 67 40 o

ATOM 4458 OWO HOH z 209 -53 734 -18 .280 -1. 641 1 00 41 72 o

ATOM 4459 OWO HOH z 210 -43 480 -27 .878 7. 119 1 00 60 59 o

ATOM 4460 OWO HOH z 211 -40 617 -15 .170 9. 441 1 00 52 17 o

ATOM 4461 OWO HOH z 212 -59 641 2 .359 16. 291 1 00 41 68 o

ATOM 4462 OWO HOH z 213 -61 832 -0 .448 8. 171 1 00 42 11 o

ATOM 4463 OWO HOH z 214 -31 386 -16 .882 7. 824 1 00 57 28 o

ATOM 4464 OWO HOH z 215 -66 233 4 .242 -17. 121 1 00 55 69 o

ATOM 4465 OWO HOH z 216 -66 497 4 .091 -3. 735 1 00 53 74 o

ATOM 4466 OWO HOH z 217 -66 179 -4 .187 40. 784 1 00 60 42 o

ATOM 4467 OWO HOH z 218 -63 389 5 .351 22. 311 1 00 53 02 o

ATOM 4468 OWO HOH z 219 -65 623 -7 .381 36. 801 1 00 53 86 o ATOM 4469 owo HOH Z 220 -72.736 -18.073 16 409 1.00 55 87 o

ATOM 4470 owo HOH Z 221 -57 .893 11 .405 21 799 1 .00 43 12 o

ATOM 4471 owo HOH Z 222 -52 .884 -17 .189 -7 433 1 .00 66 34 o

ATOM 4472 owo HOH Z 224 -37 .635 12 .121 23 562 1 .00 47 36 o

ATOM 4473 owo HOH Z 225 -63 .868 5 .281 19 809 1 .00 51 42 o

ATOM 4474 owo HOH Z 227 -44 .135 -9 .147 23 954 1 .00 54 89 o

ATOM 4475 owo HOH Z 228 -72 773 20 .756 -6 134 1 00 54 08 o

ATOM 4476 owo HOH Z 229 -43 076 6 .943 -21 297 1 00 67 36 o

ATOM 4477 owo HOH Z 230 -42 801 -6 .908 44 721 1 00 79 41 o

ATOM 4478 owo HOH Z 231 -59 035 10 .930 24 269 1 00 42 75 o

ATOM 4479 owo HOH Z 233 -69 273 -11 .265 9 252 1 00 56 88 o

ATOM 4480 owo HOH Z 234 -33 954 10 .553 -12 782 1 00 78 63 o

ATOM 4481 owo HOH Z 235 -69 903 -5 .651 30. 022 1 00 52 05 o

ATOM 4482 owo HOH Z 236 -58 282 -1 .988 -10. 759 1 00 48 84 o

ATOM 4483 owo HOH Z 237 -63 023 3 .182 17. 965 1 00 65 46 o

ATOM 4484 owo HOH Z 238 -53 422 26 .980 18. 318 1 00 58 83 o

ATOM 4485 owo HOH Z 239 -64 974 -6 .946 10. 836 1 00 42 97 o

ATOM 4486 owo HOH Z 240 -74 777 0 .782 -5. 273 1 00 63 90 o

ATOM 4487 owo HOH Z 241 -23 656 -0 .307 22. 763 1 00 70 07 o

ATOM 4488 owo HOH Z 242 -31 875 3 .320 -7. 257 1 00 61 58 o

ATOM 4489 owo HOH Z 243 -55 017 -18 124 -6. 251 1 00 61 93 o

ATOM 4490 owo HOH Z 244 -56 140 4 415 -20. 910 1 00 76 05 o

ATOM 4491 owo HOH Z 245 -58 300 -4 .545 -9. 560 1 00 49 70 o

ATOM 4492 owo HOH Z 246 -73 902 -17 090 29. 806 1 00 40 93 o

ATOM 4493 owo HOH z 247 -64 746 1 034 18. 749 1 00 57. 82 o

ATOM 4494 owo HOH z 248 -32 132 -2 049 -6. 967 1 00 50. 93 o

ATOM 4495 owo HOH z 249 -37 713 -12 198 0. 045 1 00 52. 31 o

ATOM 4496 owo HOH z 250 -55 260 21 156 -8. 508 1 00 53. 15 o

ATOM 4497 owo HOH z 251 -48 585 14 465 10. 329 1 00 44. 46 o

ATOM 4498 owo HOH z 252 -69 361 -23 603 23. 715 1 00 69. 62 o

ATOM 4499 owo HOH z 253 -34 193 1 199 33. 181 1 00 62. 40 o

ATOM 4500 owo HOH z 255 -67 810 -25 886 15. 452 1 00 54. 48 o

ATOM 4501 owo HOH z 258 -62 421 11 876 -18. 899 1 00 63. 46 o

ATOM 4502 owo HOH z 260 -38 235 -23 068 8. 513 1 00 50. 61 o

ATOM 4503 owo HOH z 261 -33 517 7 865 40. 357 1 00 58. 76 o

ATOM 4504 owo HOH z 262 -28 068 -23 402 22. 236 1 00 64. 28 o

ATOM 4505 owo HOH z 263 -54 442 12 377 -15. 846 1 00 62. 14 0

ATOM 4506 owo HOH z 264 -65 910 -4 600 33. 716 1 00 51. 47 o

ATOM 4507 owo HOH z 265 -61 027 28 635 -8. 596 1 00 49. 04 o

ATOM 4508 owo HOH z 269 -32 238 17 061 15. 065 1 00 56. 59 o

ATOM 4509 owo HOH z 270 -38 534 9 639 16. 473 1 00 77. 84 o ATOM 4510 OW0 HOH Z 272 -52.406 25.589 10 996 1.00 64.01 O

ATOM 4511 OWO HOH Z 273 -58. 784 8 .438 -19. 183 1.00 75.16 O

ATOM 4512 OWO HOH Z 274 -60. 673 11 .474 21. 337 1.00 50.14 O

ATOM 4513 OWO HOH Z 276 -61. 825 -11 .775 42. 505 1.00 64.96 O

ATOM 4514 OWO HOH Z 277 -57. 452 -9 .416 -2. 282 1.00 56.43 O

ATOM 4515 OWO HOH Z 278 -50. 991 -21 .815 15. 526 1.00 48.61 O

ATOM 4516 OWO HOH Z 279 -64. 590 30 .501 8. 621 1.00 60.99 O

ATOM 4517 OWO HOH Z 280 -62. 352 9 .521 -21. 136 1.00 66.27 O

ATOM 4518 OWO HOH Z 281 -24. 094 -19 .172 29. 054 1.00 72.83 O

ATOM 4519 OWO HOH Z 283 -37. 530 -6 .465 -17. 344 1.00 71.52 O

ATOM 4520 or HOH Z 284 -29.972 2.747 9.144 1.00 67.10 O

ATOM 4521 or HOH Z 285 -34 .570 3.358 10.854 1.00 65.50 O

ATOM 4522 S S04 C 1 -38. 539 -17 .825 5. 253 1.00 54.70 S

ATOM 4523 01 S04 C 1 -38. 141 -19 .157 4. 867 1.00 61.21 O

ATOM 4524 02 S04 C 1 -38. 624 -16 .988 4. 083 1.00 58.55 O

ATOM 4525 03 S04 C 1 -39. 878 -18 .026 5. 756 1.00 57.21 O

ATOM 4526 04 S04 C 1 -37. 606 -17 .238 6. 192 1.00 54.39 0

ATOM 4527 S S04 C 2 -44. 730 -13 .796 10. 771 1.00 58.15 s

ATOM 4528 01 S04 C 2 -43. 791 -13 .847 9. 638 1.00 57.01 0

ATOM 4529 02 S04 C 2 -45. 471 -15 .039 10. 497 1.00 58.01 0

ATOM 4530 03 S04 C 2 -44. 150 -13 .808 12. 177 1.00 57.06 0

ATOM 4531 04 S04 C 2 -45. 647 -12 .620 10. 765 1.00 54.46 0

ATOM 4532 S S04 c 3 -38. 558 17 .824 18. 415 1.00 54.21 s

ATOM 4533 01 S04 c 3 -37. 719 17 .194 17. 409 1.00 54.42 0

ATOM 4534 02 S04 c 3 -39. 988 17 .820 18. 210 1.00 57.02 0

ATOM 4535 03 S04 c 3 -38. 257 17 .185 19. 661 1.00 58.77 0

ATOM 4536 04 S04 c 3 -38. 301 19 .235 18. 542 1.00 59.36 0

ATOM 4537 S S04 c 4 -44. 780 13 .877 12. 948 1.00 58.18 s

ATOM 4538 01 S04 c 4 -44. 113 13 .854 11. 599 1.00 59.73 0

ATOM 4539 02 S04 c 4 -45. 659 12 .665 12. 865 1.00 54.64 0

ATOM 4540 03 S04 c 4 -43. 870 13 .988 14. 118 1.00 58.15 0

ATOM 4541 04 S04 c 4 -45. 600 15 .109 13. 159 1.00 56.32 0

ATOM 4542 N LEU D 1 -39. 847 5 887 21. 479 0.50 65.73 N

ATOM 4543 CA LEU D 1 -39. 325 6 .886 20. 498 0.50 66.03 c

ATOM 4544 CB LEU D 1 -38. 776 8 .091 21. 304 0.50 65.62 c

ATOM 4545 CG LEU D 1 -38. 198 9 .417 20. 800 0.50 65.67 c

ATOM 4546 CD1 LEU D 1 -39. 242 10 .514 20. 703 0.50 62.64 c

ATOM 4547 CD2 LEU D 1 -37. 052 9 .874 21. 725 0.50 65.74 c

ATOM 4548 C LEU D 1 -38. 240 6 .241 19. 590 0.50 66.20 c

ATOM 4549 or LEU D 1 -37 .137 5.762 IS .538 0.5C 66.97 0

ATOM 4550 N SER D 2 -38. 547 5 151 18. 851 0.50 65.92 N ATOM 4551 CA SER D 2 -37.489 4.211 18.339 0.50 64.96 C

ATOM 4552 CB SER D 2 -37. 070 3.343 19.544 0 .50 65.09 C

ATOM 4553 OG SER D 2 -38. 101 2.438 19.900 0 .50 62.18 O

ATOM 4554 C SER D 2 -37. 749 3.187 17.191 0 .50 64.60 C

ATOM 4555 or SER D 2 -3E .307 2.132 17.494 0.50 65.57 O

ATOM 4556 N CYS D 3 -37. 324 3.352 15.917 0 .50 63.28 N

ATOM 4557 CA CYS D 3 -37. 577 2.132 15.085 0 .50 62.04 C

ATOM 4558 CB CYS D 3 -39. 058 1.900 14.894 0 .50 60.62 C

ATOM 4559 SG CYS D 3 -39. 417 0.827 16.254 0 .50 49.07 S

ATOM 4560 C CYS D 3 -36. 802 1.159 14.122 0 .50 63.24 C

ATOM 4561 or CYS D 3 -37 .267 0.017 14.039 0.5C 63.47 O

ATOM 4562 N GLN D 4 -35. 706 1.503 13.402 0 .50 64.09 N

ATOM 4563 CA GLN D 4 -35. 233 0.430 12.456 0 .50 64.91 C

ATOM 4564 CB GLN D 4 -35. 688 0.679 11.019 0 .50 65.12 C

ATOM 4565 CG GLN D 4 -35. 473 -0.509 10.092 0 .50 65.77 C

ATOM 4566 CD GLN D 4 -36. 597 -1.542 10.105 0 .50 66.50 C

ATOM 4567 OE1 GLN D 4 -37. 137 -1.908 9.056 0 .50 67.00 O

ATOM 4568 NE2 GLN D 4 -36. 926 -2.040 11.280 0 .50 67.24 N

ATOM 4569 C GLN D 4 -33. 765 -0.060 12.496 0 .50 65.78 C

ATOM 4570 or GLN D 4 -32 .787 0.783 12.865 0.50 66.64 O

ATOM 4571 N LEU D 5 -33. 574 -1.355 12.139 0 .50 66.36 N

ATOM 4572 CA LEU D 5 -32. 428 -2.155 12.667 0 .50 66.73 C

ATOM 4573 CB LEU D 5 -32. 436 -3.589 12.082 0 .50 66.72 C

ATOM 4574 CG LEU D 5 -31. 729 -4.857 12.636 0 .50 66.61 c

ATOM 4575 CD1 LEU D 5 -30. 190 -4.724 12.851 0 .50 66.46 c

ATOM 4576 CD2 LEU D 5 -32. 427 -5.454 13.878 0 .50 65.36 c

ATOM 4577 C LEU D 5 -31. 003 -1.576 12.652 0 .50 67.75 c

ATOM 4578 or LEU D 5 -30 .345 -1.410 11.556 0.50 68.27 0

ATOM 4579 N TYR D 6 -30. 466 -1.379 13.855 0 .50 68.59 N

ATOM 4580 CA TYR D 6 -29. 076 -1.000 14.149 0 .50 69.57 C

ATOM 4581 CB TYR D 6 -28. 212 -2.255 14.424 0 .50 69.51 C

ATOM 4582 CG TYR D 6 -27. 304 -2.756 13.329 0 .50 69.42 C

ATOM 4583 CD1 TYR D 6 -26. 079 -3.333 13.655 0 .50 69.20 C

ATOM 4584 CE1 TYR D 6 -25. 223 -3.799 12.672 0 .50 69.37 C

ATOM 4585 CZ TYR D 6 -25. 593 -3.694 11.341 0 .50 69.16 c

ATOM 4586 OH TYR D 6 -24. 740 -4.155 10.369 0 .50 68.94 0

ATOM 4587 CE2 TYR D 6 -26. 805 -3.123 10.986 0 .50 68.95 c

ATOM 4588 CD2 TYR D 6 -27. 656 -2.663 11.981 0 .50 69.31 c

ATOM 4589 C TYR D 6 -28. 467 0.038 13.198 0 .50 70.24 c

ATOM 4590 or TYR D 6 -27 .467 0.692 13.510 0.50 70.55 0

ATOM 4591 N GLN D 7 -29. 105 0.190 12.043 0 .50 70.65 N ATOM 4592 CA GLN D 7 -29.027 1.429 11.286 0 50 71.35 C

ATOM 4593 CB GLN D 7 -28.335 1.225 9.938 0 50 71.33 C

ATOM 4594 CG GLN D 7 -28.265 2.483 9.077 0 50 71.26 C

ATOM 4595 CD GLN D 7 -27.645 3.672 9.793 0 50 71.02 C

ATOM 4596 OEl GLN D 7 -28.348 4.593 10.205 0 50 70.84 o

ATOM 4597 NE2 GLN D 7 -26.330 3.657 9.944 0 50 70.20 N

ATOM 4598 C GLN D 7 -30.472 1.914 11.128 0 50 71.62 C

ATOM 4599 or GLN D 7 -31.310 1.209 10.573 0.50 71.30 o

ATOM 4600 N ARG D 8 -30.755 3.103 11.657 0 50 71.89 N

ATOM 4601 CA ARG D 8 -32.122 3.646 11.726 0 50 71.77 C

ATOM 4602 CB ARG D 8 -32.498 4.364 10.434 0 50 71.89 C

ATOM 4603 CG ARG D 8 -31.887 5.743 10.279 0. 50 72.82 C

ATOM 4604 CD ARG D 8 -32.129 6.284 8.884 0. 50 74.19 C

ATOM 4605 NE ARG D 8 -30.888 6.435 8.102 0. 50 75.38 N

ATOM 4606 CZ ARG D 8 -30.879 6.751 6.799 0. 50 76.40 C

ATOM 4607 NH1 ARG D 8 -32.046 6.934 6.101 0. 50 76.80 N

ATOM 4608 NH2 ARG D 8 -29.698 6.877 6.180 0. 50 76.14 N TOM 4609 C ARG D 8 -33.192 2.603 12.061 0. 50 71.44 C

ATOM 4610 or ARG D 8 -34.364 3.001 12.399 0.50 70.77 o

ATOM 4611 S S and 1 -42.03C 2.905 12.320 1.00 57.93 S

ATOM 4612 S S and 2 -67.782 11.806 21.546 1.00 73.23 S

ATOM 4613 S S and 3 -39.12S -0.891 7.519 1.00 59.62 S

ATOM 4614 S S and 4 -67.828 -11.814 2.134 1.00 72.69 S

ATOM 4615 S S and 5 -42.264 -3.251 11.624 1.00 49.89 s

Table 4

ATOM 152 N VAL A 57 -60.006 15.501 20.909 1. 00 41.58 N

ATOM 153 CA VAL A 57 -59.590 16.162 22.091 1. 00 42.39 C

ATOM 154 CB VAL A 57 -59.009 15.046 23.013 1. 00 44.25 C

ATOM 155 CGI VAL A 57 -58.023 15.522 24.014 1. 00 45.60 C

ATOM 156 CG2 VAL A 57 -60.213 14.266 23.732 1. 00 46.86 C

ATOM 157 C VAL A 57 -58.524 17.159 21.587 1. 00 42.14 c

ATOM 158 or VAL A 57 -57.826 16.913 20.539 1 .00 39.29 o

ATOM 159 N ARG A 58 -58.394 18.265 22.323 1. 00 41.76 N

ATOM 160 CA ARG A 58 -57.357 19.271 22.041 1. 00 42.15 C

ATOM 161 CB ARG A 58 -57.609 20.578 22.868 1. 00 43.35 C

ATOM 162 CG ARG A 58 -58.608 21.565 22.229 1. 00 48.50 C

ATOM 163 CD ARG A 58 -58.060 22.152 20.886 1. 00 59.12 C

ATOM 164 NE ARG A 58 -56.818 22.945 21.003 1. 00 65.64 N

ATOM 165 CZ ARG A 58 -56.780 24.222 21.435 1. 00 69.39 C

ATOM 166 NH1 ARG A 58 -57.907 24.834 21.804 1. 00 68.89 N

ATOM 167 NH2 ARG A 58 -55.621 24.896 21.501 1. 00 70.84 N ATOM 168 C ARG A 58 -55.934 18.799 22.336 1.00 38.93 C

ATOM 169 or ARG A 58 -55.608 18.468 23.469 1.00 37.89 o

ATOM 170 N LYS A 59 -55.042 18.913 21.370 1.00 36.54 N

ATOM 171 CA LYS A 59 -53.667 18.403 21.619 1.00 36.57 C

ATOM 172 CB LYS A 59 -53.547 16.863 21.196 1.00 35.70 C

ATOM 173 CG LYS A 59 -52.153 16.126 21.443 1.00 35.41 C

ATOM 174 CD LYS A 59 -52.234 14.540 21.345 1.00 31.78 C

ATOM 175 CE LYS A 59 -50.901 13.873 21.707 1.00 31.45 C

ATOM 176 NZ LYS A 59 -50.169 13.575 20.287 1.00 35.09 N

ATOM 177 C LYS A 59 -52.742 19.285 20.802 1.00 36.65 C

ATOM 178 or LYS A 59 -53.081 19.556 19.674 1.00 38.40 o

ATOM 179 N ASP A 60 -51.599 19.739 21.318 1.00 38.10 N

ATOM 180 CA ASP A 60 -50.680 20.524 20.391 1.00 41.32 C

ATOM 181 CB ASP A 60 -49.751 21.496 21.140 1.00 41.85 C

ATOM 182 CG ASP A 60 -50.509 22.544 21.960 1.00 45.34 C

ATOM 183 ODl ASP A 60 -51.661 22.917 21.571 1.00 46.36 o

ATOM 184 OD2 ASP A 60 -49.925 22.960 23.002 1.00 49.71 o

ATOM 185 C ASP A 60 -49.736 19.684 19.573 1.00 41.84 C

ATOM 186 or ASP A 60 -49.272 18.651 20.054 1.00 41.74 o

ATOM 187 N ASP A 61 -49.412 20.138 18.363 1.00 42.84 N

ATOM 188 CA ASP A 61 -48.333 19.520 17.592 1.00 43.47 C

ATOM 189 CB ASP A 61 -48.478 19.691 16.073 1.00 44.01 C

ATOM 190 CG ASP A 61 -48.126 21.119 15.596 1.00 44.77 C

ATOM 191 ODl ASP A 61 -48.198 21.433 14.384 1.00 47.41 o

ATOM 192 OD2 ASP A 61 -47.777 21.890 16.465 1.00 41.95 o

ATOM 193 C ASP A 61 -47.038 20.089 18.157 1.00 44.04 C

ATOM 194 or ASP A 61 -47.116 20.817 19.142 1.00 45.51 o

ATOM 195 N ARG A 62 -45.876 19.739 17.594 1.00 43.43 N

ATOM 196 CA ARG A 62 -44.588 20.068 18.244 1.00 45.03 C

ATOM 197 CB ARG A 62 -43.432 19.309 17.612 1.00 44.19 C

ATOM 198 CG ARG A 62 -43.174 19.734 16.235 1.00 40.65 C

ATOM 199 CD ARG A 62 -42.028 19.018 15.678 1.00 44.32 C

ATOM 200 NE ARG A 62 -41.986 19.320 14.261 1.00 57.37 N

ATOM 201 CZ ARG A 62 -41.351 20.387 13.751 1.00 63.76 C

ATOM 202 NH1 ARG A 62 -40.691 21.233 14.567 1.00 60.76 N

ATOM 203 NH2 ARG A 62 -41.365 20.589 12.427 1.00 64.00 N

ATOM 204 C ARG A 62 -44.205 21.582 18.252 1.00 46.77 C

ATOM 205 or ARG A 62 -43.362 21.998 19.056 1.00 46.24 o

ATOM 228 N THR A 67 -54.552 21.173 17.637 1.00 36.27 N

ATOM 229 CA THR A 67 -55.366 20.300 16.725 1.00 32.86 C

ATOM 230 CB THR A 67 -54.486 19.027 16.248 1.00 34.08 C ATOM 231 OGl THR A 67 -54.213 18.252 17.441 1.00 30.60 o

ATOM 232 CG2 THR A 67 -53.154 19.495 15.597 1.00 24.29 C

ATOM 233 C THR A 67 -56.504 19.770 17.512 1.00 31.67 C

ATOM 234 or THR A 67 -56.479 19.752 18.749 1.00 30.38 o

ATOM 243 N SER A 69 -57.640 16.001 18.114 1.00 33.31 N

ATOM 244 CA SER A 69 -56.925 14.682 17.957 1.00 33.40 C

ATOM 245 CB SER A 69 -55.716 14.637 18.872 1.00 33.22 C

ATOM 246 OG SER A 69 -54.813 13.627 18.480 1.00 34.08 o

ATOM 247 C SER A 69 -57.756 13.462 18.361 1.00 32.43 C

ATOM 248 or SER A 69 -58.357 13.469 19.434 1.00 30.28 o

ATOM 249 N VAL A 70 -57.706 12.423 17.535 1.00 32.07 N

ATOM 250 CA VAL A 70 -58.193 11.029 17.890 1.00 32.16 C

ATOM 251 CB VAL A 70 -59.446 10.633 17.087 1.00 31.02 C

ATOM 252 CGI VAL A 70 -59.772 9.069 17.145 1.00 32.85 C

ATOM 253 CG2 VAL A 70 -60.682 11.382 17.671 1.00 35.38 C

ATOM 254 C VAL A 70 -57.022 10.067 17.666 1.00 31.20 C

ATOM 255 or VAL A 70 -56.367 10.182 16.643 1.00 32.34 o

ATOM 256 N PHE A 71 -56.721 9.217 18.655 1.00 30.37 N

ATOM 257 CA PHE A 71 -55.737 8.098 18.492 1.00 29.52 C

ATOM 258 CB PHE A 71 -54.980 7.850 19.798 1.00 26.04 C

ATOM 259 CG PHE A 71 -53.741 6.985 19.628 1.00 25.13 C

ATOM 260 CD1 PHE A 71 -53.569 5.811 20.407 1.00 22.31 C

ATOM 261 CE1 PHE A 71 -52.406 5.022 20.285 1.00 24.30 c

ATOM 262 CZ PHE A 71 -51.400 5.384 19.414 1.00 22.89 C TOM 263 CE2 PHE A 71 -51.544 6.529 18.618 1.00 26.64 c

ATOM 264 CD2 PHE A 71 -52.739 7.329 18.738 1.00 29.41 c

ATOM 265 C PHE A 71 -56.313 6.739 17.929 1.00 29.24 c

ATOM 266 or PHE A 71 -57.144 6.117 18.573 1.00 29.30 o

ATOM 267 N GLY A 72 -55.889 6.346 16.722 1.00 30.63 N

ATOM 268 CA GLY A 72 -56.269 5.033 16.129 1.00 28.99 C

ATOM 269 C GLY A 72 -57.461 5.006 15.235 1.00 29.10 C

ATOM 270 or GLY A 72 -58.596 5.071 15.705 1.00 28.38 o

ATOM 271 N MET A 73 -57.240 4.899 13.926 1.00 26.46 N TOM 272 CA MET A 73 -58.370 4.950 13.050 1.00 27.15 C

ATOM 273 CB MET A 73 -58.555 6.428 12.485 1.00 28.18 C

ATOM 274 CG MET A 73 -59.008 7.532 13.553 1.00 35.67 C

ATOM 275 SD MET A 73 -59.727 9.001 12.686 1.00 38.13 S

ATOM 276 CE MET A 73 -61.422 8.994 13.305 1.00 35.57 C

ATOM 277 C MET A 73 -57.990 4.098 11.893 1.00 21.87 C

ATOM 278 or MET A 73 -56.840 3.858 11.710 1.00 20.27 o

ATOM 279 N GLN A 74 -58.939 3.691 11.060 1.00 20.76 N ATOM 280 CA GLN A 74 -58.582 2.985 9.877 1.00 21.68 C

ATOM 281 CB GLN A 74 -58.479 1.415 10.247 1.00 19.01 C

ATOM 282 CG GLN A 74 -58.105 0.591 9.088 1.00 20.61 C

ATOM 283 CD GLN A 74 -57.784 -0.948 9.615 1.00 26.69 C

ATOM 284 OE1 GLN A 74 -58.663 -1.739 9.642 1.00 28.78 O

ATOM 285 NE2 GLN A 74 -56.593 -1.213 10.078 1.00 19.57 N

ATOM 286 C GLN A 74 -59.672 3.125 8.924 1.00 20.77 C

ATOM 287 or GLN A 74 -60.756 3.097 9.348 1.00 24.47 O

ATOM 288 N ALA A 75 -59.381 3.128 7.634 1.00 21.79 N

ATOM 289 CA ALA A 75 -60.324 3.144 6.533 1.00 24.01 C

ATOM 290 CB ALA A 75 -60.326 4.649 5.791 1.00 20.32 C

ATOM 291 C ALA A 75 -59.782 2.164 5.468 1.00 24.37 C

ATOM 292 or ALA A 75 -58.579 2.080 5.282 1.00 25.50 O

ATOM 293 N ARG A 76 -60.687 1.582 4.707 1.00 26.17 N

ATOM 294 CA ARG A 76 -60.450 0.723 3.577 1.00 27.99 C

ATOM 295 CB ARG A 76 -61.158 -0.721 3.814 1.00 26.83 C

ATOM 296 CG ARG A 76 -60.842 -1.779 2.673 1.00 29.42 C

ATOM 297 CD ARG A 76 -61.395 -3.391 2.847 1.00 30.27 C

ATOM 298 NE ARG A 76 -60.882 -3.871 4.092 1.00 34.41 N

ATOM 299 CZ ARG A 76 -59.772 -4.579 4.323 1.00 31.08 C

ATOM 300 NH1 ARG A 76 -59.394 -4.715 5.594 1.00 32.67 N

ATOM 301 NH2 ARG A 76 -59.121 -5.217 3.382 1.00 32.53 N

ATOM 302 C ARG A 76 -60.964 1.346 2.266 1.00 27.62 C

ATOM 303 or ARG A 76 -62.100 1.709 2.185 1.00 30.47 O

ATOM 764 N PHE A 154 -31.413 2.867 1.787 1.00 72.19 N

ATOM 765 CA PHE A 154 -31.475 2.916 3.244 1.00 75.84 C

ATOM 766 CB PHE A 154 -32.615 2.094 3.850 1.00 76.44 C

ATOM 767 CG PHE A 154 -32.666 2.261 5.324 1.00 78.51 C

ATOM 768 CD1 PHE A 154 -33.249 3.387 5.879 1.00 80.41 C

ATOM 769 CE1 PHE A 154 -33.226 3.616 7.268 1.00 81.60 C

ATOM 770 CZ PHE A 154 -32.577 2.738 8.114 1.00 81.92 C

ATOM 771 CE2 PHE A 154 -31.931 1.626 7.574 1.00 84.54 C

ATOM 772 CD2 PHE A 154 -31.966 1.401 6.164 1.00 83.41 C

ATOM 773 C PHE A 154 -30.187 2.589 4.005 1.00 78.47 C

ATOM 774 or PHE A 154 -29.700 1.464 3.971 1.00 78.98 O

ATOM 890 N VAL A 170 -29.811 -0.616 1.701 1.00 58.19 N

ATOM 891 CA VAL A 170 -30.957 -1.432 1.296 1.00 53.76 C

ATOM 892 CB VAL A 170 -31.724 -1.999 2.561 1.00 54.99 c

ATOM 893 CGI VAL A 170 -32.868 -2.958 2.148 1.00 51.08 c

ATOM 894 CG2 VAL A 170 -30.728 -2.654 3.588 1.00 54.31 c

ATOM 895 C VAL A 170 -31.948 -0.715 0.347 1.00 51.41 c ATOM 896 or VAL A 170 -32.527 0.365 0.648 1.00 50.64 o

ATOM 897 N ASP A 171 -32.176 -1.346 -0.794 1.00 47.68 N

ATOM 898 CA ASP A 171 -33.291 -0.953 -1.642 1.00 44.79 C

ATOM 899 CB ASP A 171 -32.930 -1.139 -3.107 1.00 43.98 C

ATOM 900 CG ASP A 171 -33.912 -0.490 -4.028 1.00 45.02 C

ATOM 901 ODl ASP A 171 -35.064 -0.220 -3.620 1.00 47.91 o

ATOM 902 OD2 ASP A 171 -33.578 -0.298 -5.200 1.00 45.70 o

ATOM 903 C ASP A 171 -34.671 -1.579 -1.229 1.00 41.41 c

ATOM 904 or ASP A 171 -35.136 -2.539 -1.822 1.00 40.47 o

ATOM 905 N GLN A 172 -35.295 -1.008 -0.188 1.00 38.74 N

ATOM 906 CA GLN A 172 -36.628 -1.386 0.277 1.00 35.69 C

ATOM 907 CB GLN A 172 -37.217 -0.359 1.206 1.00 35.47 C

ATOM 908 CG GLN A 172 -36.430 -0.076 2.402 1.00 33.35 C

ATOM 909 CD GLN A 172 -37.250 0.821 3.341 1.00 36.82 C

ATOM 910 OEl GLN A 172 -37.972 0.330 4.155 1.00 34.47 o

ATOM 911 NE2 GLN A 172 -37.098 2.139 3.230 1.00 37.06 N

ATOM 912 C GLN A 172 -37.635 -1.556 -0.794 1.00 35.54 C

ATOM 913 or GLN A 172 -38.402 -2.508 -0.780 1.00 37.13 o

ATOM 931 N ARG A 175 -36.615 -4.535 -3.091 1.00 35.07 N

ATOM 932 CA ARG A 175 -36.892 -5.666 -2.218 1.00 35.05 C

ATOM 933 CB ARG A 175 -36.273 -5.364 -0.885 1.00 34.30 C TOM 934 CG ARG A 175 -36.566 -6.323 0.118 1.00 37.37 C

ATOM 935 CD ARG A 175 -35.530 -6.352 1.200 1.00 43.49 C

ATOM 936 NE ARG A 175 -35.943 -5.580 2.358 1.00 48.47 N

ATOM 937 CZ ARG A 175 -35.172 -5.340 3.420 1.00 50.69 ^' C

ATOM 938 NH1 ARG A 175 -33.936 -5.833 3.504 1.00 46.03 N

ATOM 939 NH2 ARG A 175 -35.651 -4.606 4.411 1.00 51.45 N

ATOM 940 C ARG A 175 -38.395 -6.079 -2.073 1.00 37.08 C

ATOM 941 or ARG A 175 -38.737 -7.318 -2.006 1.00 37.94 o

ATOM 996 N ASN A 183 -41.998 - 14.752 -3.358 1.00 39.81 N

ATOM 997 CA ASN A 183 -42.847 - 15.340 -2.366 1.00 36.68 C

ATOM 998 CB ASN A 183 -42.027 - 15.731 -1.142 1.00 35.39 C

ATOM 999 CG ASN A 183 -42.848 - 16.547 -0.144 1.00 33.11 C

ATOM 1000 ODl ASN A 183 -43.858 - 17.111 -0.511 1.00 39.48 o

ATOM 1001 ND2 ASN A 183 -42.478 - 16.534 1.101 1.00 29.00 N

ATOM 1002 C ASN A 183 -44.076 - 14.478 -1.937 1.00 37.09 C

ATOM 1003 or ASN A 183 -44.109 -13.930 -0.810 1.00 37.28 o

ATOM 1004 N PRO A 184 -45.151 - 14.474 -2.760 1.00 38.21 N

ATOM 1005 CA PRO A 184 -46.423 - 13.693 -2.508 1.00 37.14 C

ATOM 1006 CB PRO A 184 -47.334 - 14.111 -3.660 1.00 38.66 C

ATOM 1007 CG PRO A 184 -46.702 - 15.525 -4.207 1.00 35.63 C ATOM 1008 CD PRO A 184 -45.195 -15.199 -4.068 1.00 37.48 C

ATOM 1009 C PRO A 184 -47. 147 -13.844 -1. 202 1 .00 37. 68 C

ATOM 1010 or PRO A 184 -4^" .949 -12.941 -0.794 1.00 37.84 O

ATOM 1011 N ASP A 185 -46. 895 -14.945 -0. 512 1 .00 36. 69 N

ATOM 1012 CA ASP A 185 -47. 567 -15.212 0. 733 1 .00 34. 21 C

ATOM 1013 CB ASP A 185 -47. 497 -16.716 1. 054 1 .00 37. 27 C

ATOM 1014 CG ASP A 185 -48. 269 -17.620 0. 011 1 .00 45. 43 C

ATOM 1015 OD1 ASP A 185 -49. 464 -17.353 -0. 267 1 .00 43. 31 O

ATOM 1016 OD2 ASP A 185 -47. 642 -18.610 -0. 490 1 .00 51. 47 O

ATOM 1017 C ASP A 185 -46. 805 -14.530 1. 830 1 .00 32. 93 c

ATOM 1018 or ASP A 185 -47 .216 -14.564 2 .974 1.00 3C .37 0

ATOM 1019 N ASP A 186 -45. 596 -14.049 1. 548 1 .00 32. 69 N

ATOM 1020 CA ASP A 186 -44. 788 -13.431 2. 612 1 .00 33. 14 C

ATOM 1021 CB ASP A 186 -43. 496 -12.933 1. 973 1 .00 35. 85 C

ATOM 1022 CG ASP A 186 -42. 351 -12.878 2. 948 1 .00 36. 29 C

ATOM 1023 OD1 ASP A 186 -42. 537 -12.464 4. 059 1 .00 38. 73 O

ATOM 1024 OD2 ASP A 186 -41. 230 -13.270 2. 606 1 .00 50. 96 O

ATOM 1025 C ASP A 186 -45. 554 -12.307 3. 459 1 .00 32. 58 C

ATOM 1026 or ASP A 186 -46 .370 -11.541 2 .925 1.0C 32 .62 O

ATOM 1027 N ARG A 187 -45. 412 -12.375 4. 767 1 .00 30. 43 N

ATOM 1028 CA ARG A 187 -46. 025 -11.532 5. 698 1 .00 31. 39 C

ATOM 1029 CB ARG A 187 -46. 486 -12.308 6. 957 1 .00 30. 06 C

ATOM 1030 CG ARG A 187 -47. 567 -13.423 6. 647 1 .00 31. 46 C

ATOM 1031 CD ARG A 187 -47. 524 -14.473 7. 755 1 .00 30. 18 C

ATOM 1032 NE ARG A 187 -48. 588 -15.425 7. 672 1 .00 28. 80 N

ATOM 1033 CZ ARG A 187 -48. 985 -16.185 8. 687 1 .00 27. 08 C

ATOM 1034 NH1 ARG A 187 -50. 066 -16.965 8. 543 1 .00 32. 43 N

ATOM 1035 NH2 ARG A 187 -48. 356 -16.190 9. 837 1 .00 26. 13 N

ATOM 1036 C ARG A 187 -45. 060 -10.347 6. 075 1 .00 32. 08 C

ATOM 1037 or ARG A 187 -45 .389 -9.613 6 .986 l.OO 30 .41 O

ATOM 1038 N ARG A 188 -43. 913 -10.216 5. 371 1 .00 30. 88 N

ATOM 1039 CA ARG A 188 -42. 890 -9.235 5. 676 1 .00 32. 24 C

ATOM 1040 CB ARG A 188 -41. 571 -9.962 5. 941 1 .00 31. 94 C

ATOM 1041 CG ARG A 188 -41. 739 -10.959 7. 139 1 .00 36. 60 C

ATOM 1042 CD ARG A 188 -40. 557 -11.919 7. 365 1 .00 33. 28 C

ATOM 1043 NE ARG A 188 -40. 290 -12.634 6. 132 1 .00 38. 17 N

ATOM 1044 CZ ARG A 188 -39. 529 -13.731 6. 018 1 .00 35. 43 C

ATOM 1045 NH1 ARG A 188 -38. 956 -14.272 7. 076 1 .00 34. 07 N

ATOM 1046 NH2 ARG A 188 -39. 385 -14.266 4. 849 1 .00 31. 35 N

ATOM 1047 C ARG A 188 -42. 690 -8.267 4. 547 1 .00 30. 95 C

ATOM 1048 or ARG A 188 -41 .634 -7.765 4 .387 1.00 29 .23 O ATOM 1049 N ILE A 189 -43.681 -8.075 3.704 1.00 31.10 N

ATOM 1050 CA ILE A 189 -43. 454 -7.255 2.582 1. 00 31. 45 C

ATOM 1051 CB ILE A 189 -44. 289 -7.685 1.388 1. 00 32. 41 C

ATOM 1052 CGI ILE A 189 -44. 348 -9.246 1.210 1. 00 31. 69 C

ATOM 1053 CD1 ILE A 189 -45. 096 -9.678 -0.091 1. 00 29. 65 C

ATOM 1054 CG2 ILE A 189 -43. 849 -6.903 0.114 1. 00 28. 03 C

ATOM 1055 C ILE A 189 -43. 687 -5.727 2.943 1. 00 33. 47 C

ATOM 1056 or ILE A 189 -44 .626 -5.126 2.484 1.00 32 .11 O

ATOM 1057 N ILE A 190 -42. 713 -5.155 3.640 1. 00 33. 60 N

ATOM 1058 CA ILE A 190 -42. 774 -3.955 4.472 1. 00 35. 21 C

ATOM 1059 CB ILE A 190 -42. 663 -4.314 5.946 1. 00 34. 35 C

ATOM 1060 CGI ILE A 190 -43. 918 -5.090 6.388 1. 00 32. 17 C

ATOM 1061 CD1 ILE A 190 -43. 787 -5.757 7.627 1. 00 29. 54 C

ATOM 1062 CG2 ILE A 190 -42. 487 -3.067 6.845 1. 00 31. 09 C

ATOM 1063 C ILE A 190 -41. 707 -2.891 3.999 1. 00 36. 93 c

ATOM 1064 or ILE A 190 -4C .559 -3.197 3.707 1 . oc 37 .57 O

ATOM 1084 N TRP A 194 -39. 162 7.808 6.776 1. 00 37. 53 N

ATOM 1085 CA TRP A 194 -38. 786 8.570 7.967 1. 00 37. 44 c

ATOM 1086 CB TRP A 194 -37. 343 8.368 8.377 1. 00 37. 31 C

ATOM 1087 CG TRP A 194 -37. 079 7.078 9.120 1. 00 34. 96 C

ATOM 1088 CD1 TRP A 194 -36. 956 6.924 10.447 1. 00 32. 62 C

ATOM 1089 NE1 TRP A 194 -36. 721 5.572 10.744 1. 00 33. 87 N

ATOM 1090 CE2 TRP A 194 -36. 736 4.851 9.577 1. 00 31. 49 C

ATOM 1091 CD2 TRP A 194 -36. 927 5.754 8.532 1. 00 32. 44 C

ATOM 1092 CE3 TRP A 194 -36. 959 5.270 7.221 1. 00 32. 42 C

ATOM 1093 CZ3 TRP A 194 -36. 773 3.919 7.005 1. 00 33. 75 C

ATOM 1094 CH2 TRP A 194 -36. 574 3.028 8.076 1. 00 31. 78 C

ATOM 1095 CZ2 TRP A 194 -36. 570 3.467 9.361 1. 00 35. 04 C

ATOM 1096 C TRP A 194 -39. 041 10.068 7.672 1. 00 38. 59 C

ATOM 1097 or TRP A 194 -38 .949 10.518 6.517 1 .00 37 .16 O

ATOM 1113 N ARG A 197 -36. 289 15.244 9.511 1. 00 46. 16 N

ATOM 1114 CA ARG A 197 -35. 865 15.865 10.771 1. 00 47. 46 C

ATOM 1115 CB ARG A 197 -36. 857 16.911 11.276 1. 00 47. 96 C

ATOM 1116 CG ARG A 197 -38. 300 16.518 11.192 1. 00 50. 68 C

ATOM 1117 CD ARG A 197 -39. 265 17.464 11.976 1. 00 51. 35 C

ATOM 1118 NE ARG A 197 -38. 607 18.361 12.933 1. 00 55. 05 N

ATOM 1119 CZ ARG A 197 -38. 495 18.164 14.248 1. 00 58. 19 C

ATOM 1120 NH1 ARG A 197 -38. 975 17.065 14.838 1. 00 57. 84 N

ATOM 1121 NH2 ARG A 197 -37. 883 19.092 15.000 1. 00 61. 24 N

ATOM 1122 C ARG A 197 -35. 538 14.952 11.902 1. 00 47. 50 C

ATOM 1123 or ARG A 197 -34 .845 15.349 12.849 1 .00 47 .85 O ATOM 1124 N ASP A 198 -36.075 13.731 11.875 1.00 47.84 N

ATOM 1125 CA ASP A 198 -35. 743 12. 762 12. 911 1. 00 46.54 C

ATOM 1126 CB ASP A 198 -36. 821 11. 658 12. 951 1. 00 46.33 C

ATOM 1127 CG ASP A 198 -38. 208 12. 206 13. 260 1. 00 42.55 C

ATOM 1128 ODl ASP A 198 -38. 329 13. 265 13. 896 1. 00 42.69 o

ATOM 1129 OD2 ASP A 198 -39. 190 11. 595 12. 815 1. 00 37.36 o

ATOM 1130 C ASP A 198 -34. 383 12. 116 12. 714 1. 00 46.92 C

ATOM 1131 or ASP A 198 -33 1.854 11 ..507 12 1.617 1 .. oc 1 45.81 o

ATOM 1147 N LEU A 201 -31. 698 13. 217 14. 985 1. 00 62.60 N

ATOM 1148 CA LEU A 201 -32. 155 13. 373 16. 370 1. 00 63.53 C

ATOM 1149 CB LEU A 201 -33. 659 13. 629 16. 409 1. 00 64.72 C

ATOM 1150 CG LEU A 201 -34. 000 15. 099 16. 620 1. 00 67.35 C

ATOM 1151 CD1 LEU A 201 -35. 007 15. 659 15. 529 1. 00 69.68 C

ATOM 1152 CD2 LEU A 201 -34. 471 15. 357 18. 063 1. 00 67.81 C

ATOM 1153 C LEU A 201 -31. 857 12. 251 17. 340 1. 00 63.82 C

ATOM 1154 or LEU A 201 -31 .872 12 :.494 IS 1.572 1 .00 1 64.26 o

ATOM 1155 N MET A 202 -31. 620 11. 033 16. 826 1. 00 63.38 N

ATOM 1156 CA MET A 202 -31. 418 9. 841 17. 685 1. 00 64.20 C

ATOM 1157 CB MET A 202 -32. 686 9. 504 18. 494 1. 00 64.36 C

ATOM 1158 CG MET A 202 -33. 946 9. 245 17. 625 1. 00 66.58 c

ATOM 1159 SD MET A 202 -35. 478 9. 045 18. 610 1. 00 69.54 S

ATOM 1160 CE MET A 202 -36. 332 10. 569 18. 125 1. 00 68.76 c

ATOM 1161 C MET A 202 -30. 989 8. 611 16. 903 1. 00 62.25 c

ATOM 1162 or MET A 202 -31 .149 8 :.564 15 ..673 1 .00 63.85 o

ATOM 1163 N ALA A 203 -30. 434 7. 628 17. 618 1. 00 59.90 N

ATOM 1164 CA ALA A 203 -30. 149 6. 304 17. 055 1. 00 58.31 C

ATOM 1165 CB ALA A 203 -29. 085 5. 556 17. 925 1. 00 58.00 C

ATOM 1166 C ALA A 203 -31. 474 5. 497 16. 974 1. 00 56.25 c

ATOM 1167 or ALA A 203 -32 .372 5 >.727 17 .781 1 .00 56.31 o

ATOM 1168 N LEU A 204 -31. 589 4. 572 16. 018 1. 00 54.14 N

ATOM 1169 CA LEU A 204 -32. 862 3. 918 15. 765 1. 00 52.08 C

ATOM 1170 CB LEU A 204 -33. 015 2. 731 16. 753 1. 00 52.65 C

ATOM 1171 CG LEU A 204 -34. 170 1. 680 16. 676 1. 00 54.72 C

ATOM 1172 CD1 LEU A 204 -33. 749 0. 382 16. 024 1. 00 54.44 C

ATOM 1173 CD2 LEU A 204 -34. 780 1. 376 18. 034 1. 00 53.19 C

ATOM 1174 C LEU A 204 -34. 061 4. 921 15. 876 1. 00 49.44 c

ATOM 1175 or LEU A 204 -34 .873 4 .776 16 1.769 1 .00 47.81 o

ATOM 1176 N PRO A 205 -34. 157 5. 954 14. 986 1. 00 47.74 N

ATOM 1177 CA PRO A 205 -35. 332 6. 826 15. 098 1. 00 46.04 C

ATOM 1178 CB PRO A 205 -34. 953 8. 041 14. 236 1. 00 44.52 c

ATOM 1179 CG PRO A 205 -34. 020 7. 523 13. 229 1. 00 44.21 c ATOM 1180 CD PRO A 205 -33.301 6.365 13.839 1.00 48.04 C

ATOM 1181 C PRO A 205 -36. 554 6.135 14.464 1.00 45.13 C

ATOM 1182 or PRO A 205 -36.438 5.496 13.388 1.00 43.15 o

ATOM 1183 N PRO A 206 -37. 736 6.334 15.076 1.00 44.43 N

ATOM 1184 CA PRO A 206 -38. 908 5.701 14.450 1.00 42.55 C

ATOM 1185 CB PRO A 206 -40. 007 5.750 15.557 1.00 44.64 C

ATOM 1186 CG PRO A 206 -39. 586 6.895 16.473 1.00 43.01 C

ATOM 1187 CD PRO A 206 -38. 060 7.033 16.334 1.00 44.21 C

ATOM 1188 C PRO A 206 -39. 282 6.317 13.147 1.00 40.02 C

ATOM 1189 or PRO A 206 -39.117 7.564 12.878 1.00 41.45 o

ATOM 1190 N CYS A 207 -39. 727 5.419 12.291 1.00 36.25 N

ATOM 1191 CA CYS A 207 -40. 209 5.782 10.992 1.00 34.47 C

ATOM 1192 CB CYS A 207 -40. 528 4.537 10.137 1.00 34.70 C

ATOM 1193 SG CYS A 207 -42. 159 3.643 10.678 1.00 41.14 s

ATOM 1194 C CYS A 207 -41. 453 6.650 11.192 1.00 30.85 c

ATOM 1195 or CYS A 207 -42 .016 6.681 12.234 1.00 26.93 o

ATOM 1211 N LEU A 210 -45. 184 3.225 7.940 1.00 34.94 N

ATOM 1212 CA LEU A 210 -44. 880 1.883 7.392 1.00 32.59 C

ATOM 1213 CB LEU A 210 -44. 537 0.939 8.510 1.00 34.12 C

ATOM 1214 CG LEU A 210 -45. 311 -0.186 9.165 1.00 40.38 C

ATOM 1215 CD1 LEU A 210 -45. 816 -1.276 8.161 1.00 29.67 C

ATOM 1216 CD2 LEU A 210 -44. 225 -0.718 10.119 1.00 42.75 C

ATOM 1217 C LEU A 210 -45. 951 1.406 6.434 1.00 31.45 C

ATOM 1218 or LEU A 210 -47 .137 1.508 6.640 1.00 31.19 o

ATOM 1225 N GLN A 212 -47. 157 -1.978 4.271 1.00 30.41 N

ATOM 1226 CA GLN A 212 -47. 135 -3.479 4.220 1.00 28.37 C

ATOM 1227 CB GLN A 212 -47. 693 -4.064 5.526 1.00 28.63 C

ATOM 1228 CG GLN A 212 -47. 687 -5.693 5.470 1.00 28.23 C

ATOM 1229 CD GLN A 212 -48. 281 -6.383 6.628 1.00 26.41 C

ATOM 1230 OEl GLN A 212 -48. 759 -5.772 7.567 1.00 21.84 o

ATOM 1231 NE2 GLN A 212 -48. 179 -7.750 6.630 1.00 31.28 N

ATOM 1232 C GLN A 212 -47. 927 -3.934 2.992 1.00 28.98 C

ATOM 1233 or GLN A 212 -49 .049 -3.499 2.831 1.00 29.70 o

ATOM 1245 N TYR A 214 -49. 498 -7.153 0.404 1.00 28.43 N

ATOM 1246 CA TYR A 214 -50. 142 -8.357 0.713 1.00 30.38 C

ATOM 1247 CB TYR A 214 -51. 230 -8.116 1.730 1.00 30.75 C

ATOM 1248 CG TYR A 214 -52. 188 -9.273 2.002 1.00 27.76 C

ATOM 1249 CD1 TYR A 214 -52. 027 - 10.102 3.087 1.00 27.34 C

ATOM 1250 CE1 TYR A 214 -52. 969 - 11.114 3.347 1.00 27.19 C

ATOM 1251 CZ TYR A 214 -54. 052 - 11.309 2.477 1.00 31.66 C

ATOM 1252 OH TYR A 214 -55. 067 - 12.281 2.680 1.00 30.30 o ATOM 1253 CE2 TYR A 214 -54.196 -10.489 1.393 1.00 26.77 C TOM 1254 CD2 TYR A 214 -53.249 -9.507 1.165 1.00 31. 41 C

ATOM 1255 C TYR A 214 -50.745 -8.860 -0.625 1.00 32. 78 C

ATOM 1256 or TYR A 214 -51.302 -8.065 -1.411 1.00 32.46 0

ATOM 1257 N VAL A 215 -50.563 -10.165 -0.894 1.00 33. 16 N

ATOM 1258 CA VAL A 215 -51.009 -10.821 -2.163 1.00 33. 90 C

ATOM 1259 CB VAL A 215 -49.863 -11.247 -3.075 1.00 33. 22 C

ATOM 1260 CGI VAL A 215 -50.385 -11.731 -4.466 1.00 30. 75 C

ATOM 1261 CG2 VAL A 215 -48.839 -10.102 -3.231 1.00 32. 01 C

ATOM 1262 C VAL A 215 -51.881 -12.040 -1.830 1.00 36. 07 C

ATOM 1263 or VAL A 215 -51.547 -12.852 -0.992 1.00 35.32 o

ATOM 1264 N VAL A 216 -53.052 -12.107 -2.456 1.00 39. 28 N

ATOM 1265 CA VAL A 216 -53.879 -13.321 -2.453 1.00 39. 68 C

ATOM 1266 CB VAL A 216 -54.735 -13.430 -1.236 1.00 39. 58 C

ATOM 1267 CGI VAL A 216 -56.013 -12.567 -1.415 1.00 37. 39 C

ATOM 1268 CG2 VAL A 216 -55.034 -14.978 -0.912 1.00 39. 51 C

ATOM 1269 C VAL A 216 -54.685 -13.249 -3.759 1.00 41. 83 c

ATOM 1270 or VAL A 216 -54.961 -12.115 -4.258 1.00 41 .22 o

ATOM 1271 N ASN A 217 -54.958 -14.425 -4.375 1.00 42. 87 N

ATOM 1272 CA ASN A 217 -55.722 -14.520 -5.630 1.00 42. 60 C

ATOM 1273 CB ASN A 217 -57.194 -14.293 -5.368 1.00 43. 36 C

ATOM 1274 CG ASN A 217 -57.769 -15.276 -4.400 1.00 46. 80 C

ATOM 1275 ODl ASN A 217 -58.714 -14.961 -3.693 1.00 50. 38 o

ATOM 1276 ND2 ASN A 217 -57.226 -16.495 -4.378 1.00 49. 71 N

ATOM 1277 C ASN A 217 -55.338 -13.449 -6.604 1.00 44. 00 C

ATOM 1278 or ASN A 217 -56.219 -12.682 -7.087 1.00 44 .33 o

ATOM 1302 N SER A 221 -52.689 -5.841 -2.360 1.00 30. 95 N

ATOM 1303 CA SER A 221 -53.175 -4.918 -1.383 1.00 29. 90 C

ATOM 1304 CB SER A 221 -54.097 -5.527 -0.347 1.00 28. 18 C

ATOM 1305 OG SER A 221 -55.315 -5.866 -0.938 1.00 29. 57 o

ATOM 1306 C SER A 221 -52.041 -4.178 -0.647 1.00 30. 40 C

ATOM 1307 or SER A 221 -50.891 -4.667 -0.601 1.00 26 .67 o

ATOM 1308 N CYS A 222 -52.387 -3.007 -0.049 1.00 28. 80 N

ATOM 1309 CA CYS A 222 -51.404 -2.178 0.661 1.00 25. 86 C

ATOM 1310 CB CYS A 222 -50.946 -1.130 -0.351 1.00 28. 92 C

ATOM 1311 SG CYS A 222 -49.926 0.121 0.464 1.00 29. 75 s

ATOM 1312 C CYS A 222 -52.001 -1.574 1.928 1.00 27. 42 c

ATOM 1313 or CYS A 222 -53.128 -1.070 1.903 1.00 28 .75 o

ATOM 1314 N GLN A 223 -51.363 -1.738 3.096 1.00 26. 80 N

ATOM 1315 CA GLN A 223 -51.736 -1.045 4.260 1.00 26. 45 C

ATOM 1316 CB GLN A 223 -51.960 -1.966 5.450 1.00 25. 67 C ATOM 1317 CG GLN A 223 -52.411 -1.287 6.753 1 00 26.86 C

ATOM 1318 CD GLN A 223 -53. 056 -2.209 7.755 1. 00 28.57 C

ATOM 1319 OE1 GLN A 223 -52. 948 -3.485 7.693 1. 00 37.11 O

ATOM 1320 NE2 GLN A 223 -53. 749 -1.619 8.704 1. 00 23.78 N

ATOM 1321 C GLN A 223 -50. 592 0.010 4.581 1. 00 29.27 C

ATOM 1322 or GLN A 223 -49.369 -0.316 4.665 1.00 23.98 O

ATOM 1331 N TYR A 225 -49. 599 2.488 7.552 1. 00 27.94 N

ATOM 1332 CA TYR A 225 -49. 734 2.910 8.921 1. 00 27.58 C

ATOM 1333 CB TYR A 225 -49. 179 1.873 9.823 1. 00 27.53 C

ATOM 1334 CG TYR A 225 -49. 272 2.239 11.252 1. 00 29.27 C

ATOM 1335 CD1 TYR A 225 -48. 304 3.023 11.869 1. 00 39.76 c

ATOM 1336 CE1 TYR A 225 -48. 406 3.395 13.244 1. 00 32.93 c

ATOM 1337 CZ TYR A 225 -49. 487 2.994 13.959 1. 00 32.47 c

ATOM 1338 OH TYR A 225 -49. 628 3.295 15.331 1. 00 27.40 O

ATOM 1339 CE2 TYR A 225 -50. 429 2.236 13.330 1. 00 32.47 c

ATOM 1340 CD2 TYR A 225 -50. 327 1.884 11.988 1. 00 30.24 c

ATOM 1341 C TYR A 225 -48. 911 4.244 9.134 1. 00 29.16 c

ATOM 1342 or TYR A 225 -47 .729 4.286 8.834 1 .00 28.81 0

ATOM 1352 N ARG A 227 -47. 776 7.197 11.857 1. 00 24.19 N

ATOM 1353 CA ARG A 227 -47. 880 7.525 13.219 1. 00 23.53 c

ATOM 1354 CB ARG A 227 -46. 493 7.617 13.828 1. 00 24.47 c

ATOM 1355 CG ARG A 227 -45. 638 8.730 13.241 1. 00 28.30 c

ATOM 1356 CD ARG A 227 -44. 357 9.041 14.066 1. 00 29.04 c

ATOM 1357 NE ARG A 227 -43. 748 10.281 13.524 1. 00 33.38 N

ATOM 1358 CZ ARG A 227 -42. 467 10.431 13.221 1. 00 35.94 C

ATOM 1359 NH1 ARG A 227 -42. 068 11.583 12.720 1. 00 36.61 N

ATOM 1360 NH2 ARG A 227 -41. 585 9.450 13.420 1. 00 32.51 N

ATOM 1361 C ARG A 227 -48. 722 8.844 13.575 1. 00 23.71 C

ATOM 1362 or ARG A 227 -49 .098 9.083 14.755 1 . oc 22.27 O

ATOM 1363 N SER A 228 -48. 971 9.658 12.574 1. 00 24.18 N

ATOM 1364 CA SER A 228 -49. 765 10.904 12.757 1. 00 29.83 C

ATOM 1365 CB SER A 228 -48. 968 12.096 13.381 1. 00 29.01 C

ATOM 1366 OG SER A 228 -48. 091 12.542 12.414 1. 00 33.10 O

ATOM 1367 C SER A 228 -50. 333 11.243 11.447 1. 00 28.33 C

ATOM 1368 or SER A 228 -49 .727 10.942 10.401 1 . oc 30.19 O

ATOM 1606 N ILE A 261 -55. 605 0.208 2.578 1. 00 23.96 N

ATOM 1607 CA ILE A 261 -56. 075 0.327 3.853 1. 00 22.00 C

ATOM 1608 CB ILE A 261 -55. 860 -1.008 4.696 1. 00 22.19 C

ATOM 1609 CGI ILE A 261 -56. 728 -2.206 4.216 1. 00 23.29 C

ATOM 1610 CD1 ILE A 261 -56. 076 -3.007 3.180 1. 00 22.36 C

ATOM 1611 CG2 ILE A 261 -56. 342 -0.784 6.021 1. 00 12.30 c ATOM 1612 C ILE A 261 -55.233 1.423 4.524 1.00 23.37 C

ATOM 1613 or ILE A 261 -53 .967 1.369 4.534 1.00 22.84 0

ATOM 1624 N THR A 263 -54. 311 3.492 8. 022 1.00 18.91 N

ATOM 1625 CA THR A 263 -54. 431 3.464 9. 415 1.00 20.31 C

ATOM 1626 CB THR A 263 -53. 759 1.982 9. 918 1.00 21.37 C

ATOM 1627 OGl THR A 263 -54. 513 0.971 9. 318 1.00 24.99 o

ATOM 1628 CG2 THR A 263 -53. 822 1.859 11. 268 1.00 16.15 C

ATOM 1629 C THR A 263 -53. 631 4.550 10. 112 1.00 20.43 C

ATOM 1630 or THR A 263 -52 .479 4.712 9.706 1.00 22.53 o

ATOM 1631 N LEU A 264 -54. 132 5.153 11. 245 1.00 21.66 N TOM 1632 CA LEU A 264 -53. 464 6.282 11. 760 1.00 22.50 C

ATOM 1633 CB LEU A 264 -54. 359 7.587 11. 559 1.00 25.30 C

ATOM 1634 CG LEU A 264 -54. 589 7.928 10. 107 1.00 25.97 C

ATOM 1635 CD1 LEU A 264 -55. 675 8.944 9. 843 1.00 29.47 C

ATOM 1636 CD2 LEU A 264 -53. 238 8.401 9. 603 1.00 27.76 C

ATOM 1637 C LEU A 264 -53. 196 6.072 13. 145 1.00 22.41 C

ATOM 1638 or LEU A 264 -54 .012 5.469 13 .781 1.0C 24.30 o

ATOM 1639 N GLY A 265 -52. 090 6.616 13. 686 1.00 21.09 N

ATOM 1640 CA GLY A 265 -52. 084 6.729 15. 100 1.00 21.33 C

ATOM 1641 C GLY A 265 -52. 862 8.058 15. 429 1.00 27.19 C

ATOM 1642 or GLY A 265 -54 .156 8.047 15 .510 1.0C 26.62 o

ATOM 1643 N ASP A 266 -52. 125 9.196 15. 621 1.00 27.23 N

ATOM 1644 CA ASP A 266 -52. 761 10.577 15. 944 1.00 26.22 C

ATOM 1645 CB ASP A 266 -51. 627 11.539 16. 307 1.00 29.35 C

ATOM 1646 CG ASP A 266 -52. 086 12.811 17. 132 1.00 29.11 C

ATOM 1647 ODl ASP A 266 -53. 216 13.289 16. 963 1.00 23.97 o

ATOM 1648 OD2 ASP A 266 -51. 307 13.221 18. 026 1.00 32.87 o

ATOM 1649 C ASP A 266 -53. 414 11.115 14. 684 1.00 26.30 c

ATOM 1650 or ASP A 266 -52 .695 11.606 13 .828 1.0C 25.66 o

ATOM 1656 N HIS A 268 -55. 666 13.846 13. 046 1.00 28.38 N

ATOM 1657 CA HIS A 268 -55. 821 15.220 13. 645 1.00 28.63 C

ATOM 1658 CB HIS A 268 -54. 623 15.632 14. 492 1.00 28.58 C

ATOM 1659 CG HIS A 268 -53. 332 15.759 13. 716 1.00 32.99 C

ATOM 1660 ND1 HIS A 268 -52. 402 14.734 13. 618 1.00 30.35 N

ATOM 1661 CE1 HIS A 268 -51. 389 15.120 12. 861 1.00 32.05 C

ATOM 1662 NE2 HIS A 268 -51. 619 16.371 12. 471 1.00 37.56 N

ATOM 1663 CD2 HIS A 268 -52. 834 16.784 12. 972 1.00 30.29 C

ATOM 1664 C HIS A 268 -56. 215 16.206 12. 640 1.00 29.38 C

ATOM 1665 or HIS A 268 -55 .979 16.027 11 .429 1.0C 28.07 o

ATOM 1666 N ILE A 269 -56. 989 17.185 13. 181 1.00 32.41 N

ATOM 1667 CA ILE A 269 -57. 461 18.373 12. 463 1.00 32.87 C ATOM 1668 CB ILE A 269 -59 023 18.447 12.350 1.00 35.31 C

ATOM 1669 CGI ILE A 269 -59 569 17. 158 11. 708 1. 00 30. 88 C

ATOM 1670 CD1 ILE A 269 -61. 163 17. 027 11. 564 1. 00 30. 22 C

ATOM 1671 CG2 ILE A 269 -59. 464 19. 730 11. 451 1. 00 35. 09 C

ATOM 1672 C ILE A 269 -56. 836 19. 624 13. 146 1. 00 32. 54 C

ATOM 1673 or ILE A 269 -5( i .917 19.825 14 .368 1.00 31 .66 o

ATOM 1674 N TYR A 270 -56. 121 20. 394 12. 333 1. 00 33. 38 N

ATOM 1675 CA TYR A 270 -55. 568 21. 707 12. 736 1. 00 35. 10 C

ATOM 1676 CB TYR A 270 -54. 673 22. 237 11. 596 1. 00 34. 28 C

ATOM 1677 CG TYR A 270 -53. 340 21. 631 11. 819 1. 00 33. 98 C

ATOM 1678 CD1 TYR A 270 -52. 889 20. 502 11. 063 1. 00 33. 80 C

ATOM 1679 CE1 TYR A 270 -51. 643 19. 855 11. 388 1. 00 28. 17 C

ATOM 1680 CZ TYR A 270 -50. 919 20. 327 12. 467 1. 00 35. 60 C

ATOM 1681 OH TYR A 270 -49. 720 19. 742 12. 884 1. 00 38. 84 o

ATOM 1682 CE2 TYR A 270 -51. 399 21. 403 13. 264 1. 00 34. 51 C

ATOM 1683 CD2 TYR A 270 -52. 616 22. 014 12. 937 1. 00 32. 90 C

ATOM 1684 C TYR A 270 -56. 736 22. 640 13. 034 1. 00 33. 41 C

ATOM 1685 or TYR P 270 -57 .644 22 .624 12 .275 1 .oc 31 .60 o

TER

ATOM 2282 N VAL B 57 -59. 983 -15. 438 2. 757 1. 00 42. 86 N

ATOM 2283 CA VAL B 57 -59. 563 -16. 133 1. 598 1. 00 42. 47 C

ATOM 2284 CB VAL B 57 -59. 079 -15. 042 0. 585 1. 00 43. 86 C

ATOM 2285 CGI VAL B 57 -57. 904 -15. 441 -0. 231 1. 00 43. 14 C

ATOM 2286 CG2 VAL B 57 -60. 275 -14. 626 -0. 333 1. 00 44. 63 C

ATOM 2287 C VAL B 57 -58. 478 -17. 131 2. 102 1. 00 42. 21 C

ATOM 2288 or VAL E 57 -57 .836 -16 .926 3 .179 1 .oc 39 .64 o

ATOM 2289 N ARG B 58 -58. 297 -18. 207 1. 331 1. 00 41. 69 N

ATOM 2290 CA ARG B 58 -57. 335 -19. 281 1. 635 1. 00 41. 58 C

ATOM 2291 CB ARG B 58 -57. 612 -20. 512 0. 728 1. 00 41. 66 C

ATOM 2292 CG ARG B 58 -58. 572 -21. 522 1. 360 1. 00 46. 84 C

ATOM 2293 CD ARG B 58 -57. 970 -22. 118 2. 710 1. 00 58. 24 C

ATOM 2294 NE ARG B 58 -56. 715 -22. 909 2. 592 1. 00 63. 96 N

ATOM 2295 CZ ARG B 58 -56. 667 -24. 188 2. 167 1. 00 67. 87 C

ATOM 2296 NH1 ARG B 58 -57. 771 -24. 820 1. 795 1. 00 66. 96 N

ATOM 2297 NH2 ARG B 58 -55. 509 -24. 854 2. 109 1. 00 71. 57 N

ATOM 2298 C ARG B 58 -55. 933 -18. 815 1. 364 1. 00 38. 99 C

ATOM 2299 or ARG E 58 -55 .620 -18 .473 0 .231 1 .00 37 .63 o

ATOM 2300 N LYS B 59 -55. 037 -18. 904 2. 341 1. 00 36. 99 N

ATOM 2301 CA LYS B 59 -53. 660 -18. 418 2. 047 1. 00 36. 56 C

ATOM 2302 CB LYS B 59 -53. 512 -16. 877 2. 453 1. 00 35. 41 C

ATOM 2303 CG LYS B 59 -52. 128 -16. 140 2. 100 1. 00 34. 55 C ATOM 2304 CD LYS B 59 -52.218 -14.577 2.286 1.00 33.06 C

ATOM 2305 CE LYS B 59 -50.907 -13. 862 1.982 1.00 29. 66 C

ATOM 2306 NZ LYS B 59 -50.204 -13. 556 3.418 1.00 35. 87 N

ATOM 2307 C LYS B 59 -52.738 -19. 288 2.837 1.00 36. 33 C

ATOM 2308 or LYS B 59 -53.066 -19.558 3.956 1.0C 37 .69 0

ATOM 2309 N ASP B 60 -51.593 -19. 725 2.311 1.00 38. 64 N

ATOM 2310 CA ASP B 60 -50.662 -20. 528 3.212 1.00 41. 54 C

ATOM 2311 CB ASP B 60 -49.734 -21. 474 2.437 1.00 41. 45 C

ATOM 2312 CG ASP B 60 -50.498 -22. 496 1.615 1.00 46. 50 C

ATOM 2313 ODl ASP B 60 -51.644 -22. 881 2.027 1.00 46. 14 o

ATOM 2314 OD2 ASP B 60 -49.956 -22. 860 0.538 1.00 51. 41 o

ATOM 2315 C ASP B 60 -49.732 -19. 694 4.034 1.00 42. 36 c

ATOM 2316 or ASP B 60 -49.236 -16 .661 3.546 1.00 41 .95 o

ATOM 2317 N ASP B 61 -49.434 -20. 161 5.250 1.00 43. 66 N

ATOM 2318 CA ASP B 61 -48.359 -19. 556 6.029 1.00 44. 48 C

ATOM 2319 CB ASP B 61 -48.499 -19. 752 7.554 1.00 44. 95 C

ATOM 2320 CG ASP B 61 -48.123 -21. 207 7.998 1.00 44. 59 C

ATOM 2321 ODl ASP B 61 -47.711 -21. 928 7.094 1.00 43. 43 o

ATOM 2322 OD2 ASP B 61 -48.227 -21. 582 9.197 1.00 45. 66 o

ATOM 2323 C ASP B 61 -47.030 -20. 093 5.468 1.00 45. 33 C

ATOM 2324 or ASP B 61 -47.035 -2C .747 4.447 1.00 46 .24 o

ATOM 2325 N ARG B 62 -45.930 -19. 713 6.113 1.00 45. 56 N

ATOM 2326 CA ARG B 62 -44.535 -20. 074 5.819 1.00 48. 47 C

ATOM 2327 CB ARG B 62 -43.755 -19. 815 7.102 1.00 48. 48 C

ATOM 2328 CG ARG B 62 -42.486 -19. 229 6.852 1.00 51. 13 C

ATOM 2329 CD ARG B 62 -41.958 -18. 672 8.129 1.00 55. 40 C

ATOM 2330 NE ARG B 62 -41.690. -19. 742 9.059 1.00 62. 72 N

ATOM 2331 CZ ARG B 62 -40.805 -20. 725 8.842 1.00 64. 61 C

ATOM 2332 NH1 ARG B 62 -40.080 -20. 817 7.691 1.00 63. 01 N

ATOM 2333 NH2 ARG B 62 -40.671 -21. 631 9.793 1.00 64. 05 N

ATOM 2334 C ARG B 62 -44.235 -21. 554 5.573 1.00 49. 41 C

ATOM 2335 or ARG B 62 -43.393 -21 .903 4.729 1.00 49 .07 o

ATOM 2358 N THR B 67 -54.640 -21. 176 6.054 1.00 37. 05 N

ATOM 2359 CA THR B 67 -55.432 -20. 273 6.921 1.00 33. 56 C

ATOM 2360 CB THR B 67 -54.529 -19. 003 7.357 1.00 35. 08 C

ATOM 2361 OGl THR B 67 -54.215 -18. 266 6.135 1.00 33. 15 o

ATOM 2362 CG2 THR B 67 -53.218 -19. 487 8.007 1.00 24. 65 c

ATOM 2363 C THR B 67 -56.508 -19. 738 6.049 1.00 32. 69 c

ATOM 2364 or THR B 67 -56.447 -IS .744 4.806 1.00 30 .96 o

ATOM 2373 N SER B 69 -57.628 -16. 038 5.531 1.00 32. 58 N

ATOM 2374 CA SER B 69 -56.942 -14. 723 5.658 1.00 32. 77 c ATOM 2375 CB SER B 69 -55.732 -14.671 4.757 1.00 32.50 C

ATOM 2376 OG SER B 69 -54.890 -13.603 5 .134 1.00 35.03 o

ATOM 2377 C SER B 69 -57.781 -13.487 5 .244 1.00 32.07 C

ATOM 2378 or SER B 69 -58.302 -13.450 4.134 1.00 29.62 o

ATOM 2379 N VAL B 70 -57.776 -12.457 6 .097 1.00 31.24 N

ATOM 2380 CA VAL B 70 -58.249 -11.057 5 .696 1.00 30.70 C

ATOM 2381 CB VAL B 70 -59.461 -10.635 6 .560 1.00 29.59 C

ATOM 2382 CGI VAL B 70 -59.774 -9.130 6 .457 1.00 30.19 C

ATOM 2383 CG2 VAL B 70 -60.716 -11.405 6 .079 1.00 34.21 C

ATOM 2384 C VAL B 70 -57.094 -10.071 5 .927 1.00 29.53 C

ATOM 2385 or VAL B 70 -56.542 -10.132 6.989 1.00 29.86 o

ATOM 2386 N PHE B 71 -56.751 -9.207 4 .965 1.00 28.94 N

ATOM 2387 CA PHE B 71 -55.727 -8.101 5 .186 1.00 28.22 C

ATOM 2388 CB PHE B 71 -54.922 -7.877 3 .897 1.00 26.33 C

ATOM 2389 CG PHE B 71 -53.722 -6.944 4 .040 1.00 25.50 C

ATOM 2390 CD1 PHE B 71 -53.605 -5.792 3 .205 1.00 24.03 C

ATOM 2391 CE1 PHE B 71 -52.486 -4.941 3 .279 1.00 26.30 C

ATOM 2392 CZ PHE B 71 -51.450 -5.246 4 .160 1.00 23.93 C

ATOM 2393 CE2 PHE B 71 -51.542 -6.349 4 .985 1.00 26.68 C

ATOM 2394 CD2 PHE B 71 -52.686 -7.212 4 .917 1.00 30.68 c

ATOM 2395 C PHE B 71 -56.334 -6.739 5 .706 1.00 28.22 c

ATOM 2396 or PHE B 71 -57.231 -6.166 5.055 1.00 27.46 o

ATOM 2397 N GLY B 72 -55.907 -6.279 6 .898 1.00 28.73 N

ATOM 2398 CA GLY B 72 -56.402 -4.981 7 .428 1.00 26.67 c

ATOM 2399 C GLY B 72 -57.517 -5.014 8 .407 1.00 26.78 C

ATOM 2400 or GLY B 72 -58.655 -5.078 3.018 1.00 26.68 o

ATOM 2401 N MET B 73 -57.243 -4.898 9 .696 1.00 23.57 N

ATOM 2402 CA MET B 73 -58.340 -4.944 10 .610 1.00 25.07 C

ATOM 2403 CB MET B 73 -58.508 -6.430 11 .176 1.00 26.70 C

ATOM 2404 CG MET B 73 -59.012 -7.463 10 .109 1.00 32.91 C

ATOM 2405 SD MET B 73 -59.708 -8.922 10 .994 1.00 36.24 S

ATOM 2406 CE MET B 73 -61.396 -8.977 10 .279 1.00 32.30 C

ATOM 2407 C MET B 73 -57.949 -4.085 11 .773 1.00 20.06 C

ATOM 2408 or MET B 73 -56.811 -3.803 11.934 1.00 19.89 o

ATOM 2409 N GLN B 74 -58.889 -3.690 12 .611 1.00 19.77 N

ATOM 2410 CA GLN B 74 -58.540 -2.985 13 .771 1.00 20.36 C

ATOM 2411 CB GLN B 74 -58.457 -1.390 13 .379 1.00 17.85 c

ATOM 2412 CG GLN B 74 -58.175 -0.580 14 .552 1.00 18.48 c

ATOM 2413 CD GLN B 74 -57.875 1.000 14 .035 1.00 25.40 c

ATOM 2414 OEl GLN B 74 -58.729 1.833 14 .141 1.00 25.85 o

ATOM 2415 NE2 GLN B 74 -56.723 1.253 13 .486 1.00 17.07 N ATOM 2416 C GLN B 74 -59 624 -3.109 14.744 1.00 19.80 C

ATOM 2417 or GLN B 74 -60.709 -3.021 14.338 1.00 22.94 o

ATOM 2418 N ALA B 75 -59 329 -3.111 16.040 1 .00 21. 07 N

ATOM 2419 CA ALA B 75 -60 316 -3.166 17.081 1 .00 23. 51 C

ATOM 2420 CB ALA B 75 -60. 328 -4.646 17.792 1 .00 19. 73 C

ATOM 2421 C ALA B 75 -59. 804 -2.180 18.179 1 .00 24. 21 C

ATOM 2422 or ALA B 75 -58.618 -2.128 18.368 1.00 23.86 o TOM 2423 N ARG B 76 -60. 711 -1.586 18.950 1 .00 26. 40 N

ATOM 2424 CA ARG B 76 -60. 435 -0.733 20.091 1 .00 29. 22 C

ATOM 2425 CB ARG B 76 -61. 095 0.722 19.837 1 .00 29. 33 C

ATOM 2426 CG ARG B 76 -60. 774 1.821 20.937 1 .00 29. 27 C

ATOM 2427 CD ARG B 76 -61. 465 3.360 20.747 1 .00 30. 43 C

ATOM 2428 NE ARG B 76 -60. 994 3.844 19.496 1 .00 32. 50 N

ATOM 2429 CZ ARG B 76 -59. 865 4.514 19.274 1 .00 28. 37 C

ATOM 2430 NH1 ARG B 76 -59. 446 4.661 18.022 1 .00 29. 98 N

ATOM 2431 NH2 ARG B 76 -59. 218 5.073 20.235 1 .00 28. 54 N

ATOM 2432 C ARG B 76 -60. 963 -1.342 21.380 1 .00 29. 19 C

ATOM 2433 or ARG B 76 -62 .101 -1.738 21.427 1.0C 32 .02 o

ATOM 2894 N PHE B 154 -31. 429 -2.819 21.919 1 .00 71. 72 N

ATOM 2895 CA PHE B 154 -31. 476 -2.870 20.471 1 .00 75. 81 C

ATOM 2896 CB PHE B 154 -32. 572 -2.027 19.817 1 .00 76. 37 C

ATOM 2897 CG PHE B 154 -32. 600 -2.261 18.353 1 .00 78. 20 C

ATOM 2898 CD1 PHE B 154 -31. 568 -1.770 17.545 1 .00 81. 14 C

ATOM 2899 CE1 PHE B 154 -31. 507 -2.074 16.186 1 .00 81. 69 c

ATOM 2900 CZ PHE B 154 -32. 470 -2.892 15.624 1 .00 80. 86 c

ATOM 2901 CE2 PHE B 154 -33. 464 -3.413 16.421 1 .00 80. 99 c

ATOM 2902 CD2 PHE B 154 -33. 514 -3.118 17.791 1 .00 79. 24 c

ATOM 2903 C PHE B 154 -30. 169 -2.639 19.700 1 .00 79. 02 c

ATOM 2904 or PHE B 154 -29 .587 -1.541 19.741 L.OO 79 .09 o

ATOM 3020 N VAL B 170 -29. 757 0.740 22.020 1 .00 58. 96 N

ATOM 3021 CA VAL B 170 -30. 944 1.523 22.428 1 .00 54. 33 C

ATOM 3022 CB VAL B 170 -31. 734 2.069 21.167 1 .00 55. 30 C

ATOM 3023 CGI VAL B 170 -32. 964 2.899 21.575 1 .00 51. 51 c

ATOM 3024 CG2 VAL B 170 -30. 790 2.874 20.220 1 .00 54. 55 c

ATOM 3025 C VAL B 170 -31. 902 0.769 23.380 1 .00 51. 67 c

ATOM 3026 or VAL B 170 -32 .402 -0.315 23.072 1.00 50 .86 o

ATOM 3027 N ASP B 171 -32. 159 1.366 24.534 1 .00 47. 72 N

ATOM 3028 CA ASP B 171 -33. 283 0.963 25.368 1 .00 45. 05 c

ATOM 3029 CB ASP B 171 -32. 904 1.098 26.843 1 .00 44. 77 C

ATOM 3030 CG ASP B 171 -33. 931 0.495 27.750 1 .00 45. 95 C

ATOM 3031 ODl ASP B 171 -35. 034 0.205 27.240 1 .00 46. 48 o ATOM 3032 OD2 ASP B 171 -33.677 0.329 28 964 1.00 45.87 o

ATOM 3033 C ASP B 171 -34.689 1.598 24 947 1.00 42. 37 C

ATOM 3034 or ASP B 171 -35.135 2.659 25.444 1.00 41.58 o

ATOM 3035 N GLN B 172 -35.351 0.918 23. 986 1.00 39. 59 N

ATOM 3036 CA GLN B 172 -36.611 1.312 23. 412 1.00 35. 54 C

ATOM 3037 CB GLN B 172 -37.147 0.279 22. 471 1.00 35. 49 C

ATOM 3038 CG GLN B 172 -36.415 0.081 21. 225 1.00 31. 81 C

ATOM 3039 CD GLN B 172 -37.227 -0.806 20. 265 1.00 35. 20 C

ATOM 3040 OEl GLN B 172 -37.950 -0.314 19. 436 1.00 36. 75 o

ATOM 3041 NE2 GLN B 172 -37.082 -2.117 20. 383 1.00 35. 28 N

ATOM 3042 C GLN B 172 -37.651 1.490 24. 437 1.00 35. 63 C

ATOM 3043 or GLN B 172 -38.436 2.433 24 .362 1.00 37 .80 o

ATOM 3061 N ARG B 175 -36.645 4.479 26. 736 1.00 36. 16 N

ATOM 3062 CA ARG B 175 -36.892 5.631 25. 891 1.00 35. 18 C TOM 3063 CB ARG B 175 -36.226 5.375 24. 595 1.00 34. 31 C

ATOM 3064 CG ARG B 175 -36.604 6.314 23. 607 1.00 36. 50 C

ATOM 3065 CD ARG B 175 -35.551 6.484 22. 542 1.00 41. 40 C

ATOM 3066 NE ARG B 175 -35.807 5.782 21. 282 1.00 45. 01 N

ATOM 3067 CZ ARG B 175 -34.867 5.613 20. 343 1.00 46. 48 C

ATOM 3068 NH1 ARG B 175 -33.629 6.062 20. 493 1.00 46. 60 N

ATOM 3069 NH2 ARG B 175 -35.158 4.980 19. 249 1.00 47. 45 N

ATOM 3070 C ARG B 175 -38.392 6.051 25. 703 1.00 37. 76 C

ATOM 3071 or ARG B 175 -38.727 7.299 25 .681 1.0C 38 .75 o

ATOM 3126 N ASN B 183 -41.947 14.750 26. 970 1.00 38. 26 N

ATOM 3127 CA ASN B 183 -42.826 15.344 26. 008 1.00 34. 95 C

ATOM 3128 CB ASN B 183 -42.031 15.717 24. 768 1.00 33. 42 C

ATOM 3129 CG ASN B 183 -42.836 16.575 23. 798 1.00 31. 88 C

ATOM 3130 ODl ASN B 183 -43.833 17.155 24. 185 1.00 38. 75 o

ATOM 3131 ND2 ASN B 183 -42.484 16.561 22. 541 1.00 27. 58 N

ATOM 3132 C ASN B 183 -44.057 14.460 25. 627 1.00 35. 68 C

ATOM 3133 or ASN B 183 -44.083 13.819 24 .555 1.00 36 .26 o

ATOM 3134 N PRO B 184 -45.126 14.488 26. 444 1.00 37. 37 N

ATOM 3135 CA PRO B 184 -46.405 13.706 26. 188 1.00 36. 91 C

ATOM 3136 CB PRO B 184 -47.279 14.021 27. 417 1.00 38. 42 C

ATOM 3137 CG PRO B 184 -46.699 15.380 27. 952 1.00 37. 15 C

ATOM 3138 CD PRO B 184 -45.172 15.166 27. 766 1.00 36. 69 C

ATOM 3139 C PRO B 184 -47.155 13.879 24. 889 1.00 37. 02 C

ATOM 3140 or PRO E 184 -47.950 12.974 24 .452 1.00 37 .84 o

ATOM 3141 N ASP B 185 -46.886 14.967 24. 202 1.00 35. 69 N

ATOM 3142 CA ASP B 185 -47.537 15.197 22. 953 1.00 33. 28 C

ATOM 3143 CB ASP B 185 -47.529 16.697 22. 630 1.00 36. 56 C ATOM 3144 CG ASP B 185 -48.465 17.555 23.570 1.00 42.93 C

ATOM 3145 ODl ASP B 185 -49. 513 17.066 24. 055 1 .00 43. 30 o

ATOM 3146 OD2 ASP B 185 -48. 128 18.748 23. 783 1 .00 50. 06 o

ATOM 3147 C ASP B 185 -46. 778 14.527 21. 847 1 .00 32. 40 C

ATOM 3148 or ASP B 185 -4^" .244 14.515 20.709 1.00 30.37 o

ATOM 3149 N ASP B 186 -45. 558 14.064 22. 106 1 .00 30. 91 N

ATOM 3150 CA ASP B 186 -44. 772 13.464 21. 043 1 .00 31. 55 C

ATOM 3151 CB ASP B 186 -43. 463 12.998 21. 694 1 .00 33. 81 C

ATOM 3152 CG ASP B 186 -42. 338 12.766 20. 688 1 .00 36. 12 C

ATOM 3153 ODl ASP B 186 -42. 549 12.331 19. 572 1 .00 41. 31 o

ATOM 3154 OD2 ASP B 186 -41. 186 13.029 21. 030 1 .00 51. 71 o

ATOM 3155 C ASP B 186 -45. 549 12.330 20. 217 1 .00 31. 91 C

ATOM 3156 or ASP B 186 -46.407 11.568 2C .744 1.00 31 .55 o

ATOM 3157 N ARG B 187 -45. 372 12.374 18. 909 1 .00 30. 52 N

ATOM 3158 CA ARG B 187 -46. 023 11.517 18. 003 1 .00 31. 25 C

ATOM 3159 CB ARG B 187 -46. 497 12.283 16. 720 1 .00 31. 28 C

ATOM 3160 CG ARG B 187 -47. 594 13.433 16. 973 1 .00 29. 83 C

ATOM 3161 CD ARG B 187 -47. 524 14.445 15. 843 1 .00 30. 74 C

ATOM 3162 NE ARG B 187 -48. 587 15.410 15. 932 1 .00 28. 47 N

ATOM 3163 CZ ARG B 187 -48. 980 16.170 14. 941 1 .00 23. 33 C

ATOM 3164 NHl ARG B 187 -50. 060 16.946 15. 081 1 .00 30. 60 N

ATOM 3165 NH2 ARG B 187 -48. 360 16.148 13. 809 1 .00 27. 43 N TOM 3166 C ARG B 187 -45. 073 10.354 17. 624 1 .00 31. 94 C

ATOM 3167 or ARG B 187 -45 .387 9.663 16 .687 1.0C 30 .97 o

ATOM 3168 N ARG B 188 -43. 936 10.195 18. 339 1 .00 31. 02 N

ATOM 3169 CA ARG B 188 -42. 943 9.234 17. 993 1 .00 32. 80 C

ATOM 3170 CB ARG B 188 -41. 619 9.944 17. 623 1 .00 32. 63 C

ATOM 3171 CG ARG B 188 -41. 810 11.018 16. 508 1 .00 37. 04 C

ATOM 3172 CD ARG B 188 -40. 572 11.902 16. 285 1 .00 33. 33 C

ATOM 3173 NE ARG B 188 -40. 300 12.614 17. 522 1 .00 38. 76 N

ATOM 3174 CZ ARG B 188 -39. 499 13.676 17. 661 1 .00 36. 31 C

ATOM 3175 NHl ARG B 188 -38. 848 14.200 16. 638 1 .00 35. 22 N

ATOM 3176 NH2 ARG B 188 -39. 365 14.178 18. 830 1 .00 33. 87 N

ATOM 3177 C ARG B 188 -42. 683 8.246 19. 104 1 .00 31. 25 C

ATOM 3178 or ARG B 188 -41 .634 7.712 19 .162 1.00 30 .75 o

ATOM 3187 N ILE B 190 -42. 732 5.126 20. 010 1 .00 34. 54 N

ATOM 3188 CA ILE B 190 -42. 847 3.919 19. 201 1 .00 36. 54 C

ATOM 3189 CB ILE B 190 -42. 739 4.262 17. 738 1 .00 35. 46 C

ATOM 3190 CGI ILE B 190 -43. 978 5.085 17. 310 1 .00 32. 90 C

ATOM 3191 CD1 ILE B 190 -43. 873 5.725 16. 067 1 .00 25. 96 C

ATOM 3192 CG2 ILE B 190 -42. 559 3.027 16. 861 1 .00 34. 33 C ATOM 3193 C ILE B 190 -41.751 2.878 19.622 1.00 38.51 C

ATOM 3194 or ILE B 190 -40.565 3.206 19.753 1.00 38.60 o

ATOM 3214 N TRP B 194 -39. 198 -7. 848 16. 945 1 .00 37. 03 N

ATOM 3215 CA TRP B 194 -38. 831 -8. 589 15. 728 1 .00 37. 16 C

ATOM 3216 CB TRP B 194 -37. 377 -8. 382 15. 304 1 .00 36. 39 C

ATOM 3217 CG TRP B 194 -37. 104 -7. 109 14. 562 1 .00 33. 25 C TOM 3218 CD1 TRP B 194 -36. 985 -6. 968 13. 251 1 .00 30. 66 c

ATOM 3219 NE1 TRP B 194 -36. 740 -5. 637 12. 939 1 .00 33. 43 N

ATOM 3220 CE2 TRP B 194 -36. 767 -4. 904 14. 092 1 .00 31. 03 C

ATOM 3221 CD2 TRP B 194 -36. 937 -5. 800 15. 140 1 .00 30. 61 C

ATOM 3222 CE3 TRP B 194 -36. 994 -5. 312 16. 448 1 .00 31. 10 C

ATOM 3223 CZ3 TRP B 194 -36. 785 -3. 944 16. 660 1 .00 33. 75 C

ATOM 3224 CH2 TRP B 194 -36. 573 -3. 062 15. 574 1 .00 32. 85 C

ATOM 3225 CZ2 TRP B 194 -36. 575 -3. 516 14. 289 1 .00 34. 64 C

ATOM 3226 C TRP B 194 -39. 069 -10. 084 16. 034 1 .00 38. 47 C

ATOM 3227 or TRP B 194 -36 .986 -1C .527 17 .205 1.0C 37 ÷14 o

ATOM 3243 N ARG B 197 -36. 296 -15. 219 14. 095 1 .00 45. 40 N

ATOM 3244 CA ARG B 197 -35. 914 -15. 843 12. 820 1 .00 45. 55 C

ATOM 3245 CB ARG B 197 -37. 053 -16. 552 12. 083 1 .00 46. 52 C

ATOM 3246 CG ARG B 197 -38. 171 -17. 164 12. 843 1 .00 50. 81 C

ATOM 3247 CD ARG B 197 -39. 210 -17. 620 11. 757 1 .00 56. 78 C

ATOM 3248 NE ARG B 197 -38. 566 -18. 433 10. 718 1 .00 57. 88 N

ATOM 3249 CZ ARG B 197 -38. 514 -18. 161 9. 413 1 .00 61. 93 C

ATOM 3250 NHl ARG B 197 -39. 099 -17. 085 8. 883 1 .00 64. 04 N

ATOM 3251 NH2 ARG B 197 -37. 874 -19. 002 8. 601 1 .00 65. 22 N

ATOM 3252 C ARG B 197 -35. 476 -14. 906 11. 762 1 .00 46. 16 C

ATOM 3253 or ARG B 197 -34 .721 -15 .304 10 .831 1.00 46 .02 o

ATOM 3254 N ASP B 198 -36. 056 -13. 703 11. 760 1 .00 46. 36 N

ATOM 3255 CA ASP B 198 -35. 743 -12. 765 10. 684 1 .00 45. 71 C

ATOM 3256 CB ASP B 198 -36. 829 -11. 674 10. 625 1 .00 45. 80 C TOM 3257 CG ASP B- 198 -38. 229 -12. 240 10. 333 1 .00 42. 86 C

ATOM 3258 ODl ASP B 198 -38. 342 -13. 211 9. 567 1 .00 44. 73 o

ATOM 3259 OD2 ASP B 198 -39. 214 -11. 711 10. 892 1 .00 38. 84 o

ATOM 3260 C ASP B 198 -34. 379 -12. 113 10. 855 1 .00 46. 12 C

ATOM 3261 or ASP B 198 -33 .856 -11 .548 9 .922 1.00 45 .44 o

ATOM 3277 N LEU B 201 -31. 571 -13. 211 8. 758 1 .00 60. 84 N

ATOM 3278 CA LEU B 201 -32. 040 -13. 392 7. 371 1 .00 61. 25 C

ATOM 3279 CB LEU B 201 -33. 522 -13. 790 7. 331 1 .00 62. 23 C

ATOM 3280 CG LEU B 201 -33. 712 -15. 298 7. 127 1 .00 63. 17 C

ATOM 3281 CD1 LEU B 201 -34. 140 -16. 133 8. 454 1 .00 61. 84 C

ATOM 3282 CD2 LEU B 201 -34. 592 -15. 603 5. 871 1 .00 63. 12 C ATOM 3283 C LEU B 201 -31.805 -12.300 6.349 1.00 61.60 C

ATOM 3284 or LEU B 201 -31.774 -12.600 5.139 1.00 61.55 o

ATOM 3285 N MET B 202 -31.647 -11.050 6.801 1.00 61.79 N

ATOM 3286 CA MET B 202 -31.467 -9.897 5.883 1.00 62.83 C

ATOM 3287 CB MET B 202 -32.780 -9.534 5.132 1.00 63.34 C

ATOM 3288 CG MET B 202 -34.089 -9.466 6.027 1.00 65.01 C

ATOM 3289 SD MET B 202 -35.544 -8.891 5.060 1.00 68.05 S

ATOM 3290 CE MET B 202 -36.561 -10.409 4.996 1.00 66.81 C

ATOM 3291 C MET B 202 -30.968 -8.686 6.630 1.00 60.82 C

ATOM 3292 or MET B 202 -31.031 -8.670 7.851 1.00 61.82 o

ATOM 3293 N ALA B 203 -30.460 -7.692 5.894 1.00 58.99 N

ATOM 3294 CA ALA B 203 -30.143 -6.373 6.444 1.00 57.55 C

ATOM 3295 CB ALA B 203 -29.193 -5.635 5.482 1.00 56.69 C

ATOM 3296 C ALA B 203 -31.468 -5.574 6.635 1.00 56.25 C

ATOM 3297 or ALA B 203 -32.391 -5.734 5.831 1.00 56.77 o

ATOM 3298 N LEU B 204 -31.566 -4.714 7.653 1.00 54.52 N

ATOM 3299 CA LEU B 204 -32.814 -3.991 7.900 1.00 52.88 C

ATOM 3300 CB LEU B 204 -32.942 -2.838 6.863 1.00 53.21 C

ATOM 3301 CG LEU B 204 -33.640 -1.436 6.909 1.00 54.99 C

ATOM 3302 CD1 LEU B 204 -35.083 -1.367 6.364 1.00 53.68 C

ATOM 3303 CD2 LEU B 204 -33.507 -0.704 8.257 1.00 55.83 C

ATOM 3304 C LEU B 204 -34.030 -4.976 7.815 1.00 51.08 C

ATOM 3305 or LEU B 204 -34.889 -4.810 6.949 1.00 50.13 o

ATOM 3313 N PRO B 206 -37.631 -6.385 8.577 1.00 45.49 N

ATOM 3314 CA PRO B 206 -38.833 -5.788 9.154 1.00 44.08 C

ATOM 3315 CB PRO B 206 -39.898 -5.873 8.001 1.00 46.24 C

ATOM 3316 CG PRO B 206 -39.442 -6.964 7.126 1.00 44.74 C

ATOM 3317 CD PRO B 206 -37.883 -7.003 7.261 1.00 46.25 C

ATOM 3318 C PRO B 206 -39.276 -6.359 10.459 1.00 40.84 C

ATOM 3319 or PRO B 206 -39.137 -7.565 10.779 1.00 41.76 o

ATOM 3320 N CYS B 207 -39.766 -5.454 11.268 1.00 38.08 N

ATOM 3321 CA CYS B 207 -40.231 -5.817 12.582 1.00 36.32 C

ATOM 3322 CB CYS B 207 -40.451 -4.567 13.441 1.00 37.63 c

ATOM 3323 SG CYS B 207 -42.194 -3.760 13.327 1.00 45.81 S

ATOM 3324 C CYS B 207 -41.500 -6.645 12.408 1.00 32.97 c

ATOM 3325 or CYS B 207 -42.063 -6.688 11.359 1.00 29.19 o

ATOM 3341 N LEU B 210 -45.222 -3.247 15.685 1.00 36.34 N

ATOM 3342 CA LEU B 210 -44.901 -1.916 16.251 1.00 34.15 C

ATOM 3343 CB LEU B 210 -44.474 -0.960 15.159 1.00 34.33 C

ATOM 3344 CG LEU B 210 -45.340 0.101 14.516 1.00 39.25 c

ATOM 3345 CD1 LEU B 210 -45.774 1.240 15.508 1.00 28.12 c ATOM 3346 CD2 LEU B 210 -44.388 0.649 13.510 1.00 41.40 C

ATOM 3347 C LEU B 210 -45.973 -1.429 17. 209 1.00 32.22 C

ATOM ^• 3348 or LEU B 210 -47.160 -1.618 17 .047 1.00 32.43 o

ATOM 3355 N GLN B 212 -47.210 1.993 19. 364 1.00 32.26 N

ATOM 3356 CA GLN B 212 -47.163 3.495 19. 421 1.00 29.96 C

ATOM 3357 CB GLN B 212 -47.685 4.114 18. 097 1.00 30.50 C

ATOM 3358 CG GLN B 212 -47.790 5.693 18. 188 1.00 28.88 C

ATOM 3359 CD GLN B 212 -48.285 6.365 17. 002 1.00 27.73 C

ATOM 3360 OEl GLN B 212 -48.697 5.740 16. 033 1.00 22.49 o

ATOM 3361 NE2 GLN B 212 -48.171 7.747 16. 998 1.00 30.58 N

ATOM 3362 C GLN B 212 -47.962 3.924 20. 670 1.00 29.90 C

ATOM 3363 or GLN B 212 -49.071 3.425 20 .871 1.0C 29.64 o

ATOM 3375 N TYR B 214 -49.528 7.100 23. 267 1.00 29.82 N

ATOM 3376 CA TYR B 214 -50.137 8.339 22. 981 1.00 31.34 C

ATOM 3377 CB TYR B 214 -51.174 8.149 21. 906 1.00 32.10 C

ATOM 3378 CG TYR B 214 -52.167 9.282 21. 660 1.00 28.09 C

ATOM 3379 CD1 TYR B 214 -52.020 10.135 20. 591 1.00 28.30 C

ATOM 3380 CE1 TYR B 214 -52.979 11.122 20. 326 1.00 28.87 C

ATOM 3381 CZ TYR B 214 -54.068 11.286 21. 194 1.00 30.70 C

ATOM 3382 OH TYR B 214 -55.039 12.240 20. 977 1.00 31.00 o

ATOM 3383 CE2 TYR B 214 -54.202 10.466 22. 282 1.00 27.82 C

ATOM 3384 CD2 TYR B 214 -53.222 9.482 22. 508 1.00 30.55 C

ATOM 3385 C TYR B 214 -50.758 8.824 24. 307 1.00 33.70 C

ATOM 3386 or TYR B 214 -51.298 8.018 25 .074 1.00 33.58 o

ATOM 3387 N VAL B 215 -50.575 10.128 24. 588 1.00 33.66 N

ATOM 3388 CA VAL B 215 -51.020 10.796 25. 841 1.00 33.76 C

ATOM 3389 CB VAL B 215 -49.840 11.289 26. 727 1.00 32.69 C

ATOM 3390 CGI VAL B 215 -50.343 11.724 28. 175 1.00 30.42 C

ATOM 3391 CG2 VAL B 215 -48.756 10.244 26. 862 1.00 29.34 C

ATOM 3392 C VAL B 215 -51.920 12.009 25. 498 1.00 35.87 C

ATOM 3393 or VAL B 215 -51.610 12.833 24 .661 1.00 34.23 o

ATOM 3394 N VAL B 216 -53.066 12.097 26. 152 1.00 38.94 N

ATOM 3395 CA VAL B 216 -53.883 13.328 26. 137 1.00 39.30 C

ATOM 3396 CB VAL B 216 -54.730 13.440 24. 859 1.00 39.17 C

ATOM 3397 CGI VAL B 216 -56.004 12.594 24. 962 1.00 38.23 C

ATOM 3398 CG2 VAL B 216 -55.059 14.956 24. 477 1.00 38.93 C

ATOM 3399 C VAL B 216 -54.678 13.226 27. 446 1.00 41.69 C

ATOM 3400 or VAL B 216 -55.029 12.073 27 .881 1.00 41.88 o

ATOM 3401 N ASN B 217 -54.872 14.379 28. 140 1.00 42.78 N

ATOM 3402 CA ASN B 217 -55.711 14.473 29. 336 1.00 42.14 C

ATOM 3403 CB ASN B 217 -57.171 14.206 29. 026 1.00 42.97 C ATOM 3404 CG ASN B 217 -57.754 15.208 28.085 1.00 46.46 C

ATOM 3405 ODl ASN B 217 -58.654 14.891 27. 320 1.00 48. 81 o

ATOM 3406 ND2 ASN B 217 -57.245 16.436 28. 125 1.00 48. 33 N

ATOM 3407 C ASN B 217 -55.341 13.411 30. 301 1.00 43. 83 C

ATOM 3408 or ASN B 217 -56.208 12.593 30.719 1.00 44 .35 o TOM 3432 N SER B 221 -52.693 5.804 25. 987 1.00 30. 39 N

ATOM 3433 CA SER B 221 -53.202 4.911 25. 033 1.00 28. 75 C

ATOM 3434 CB SER B 221 -54.113 5.536 24. 010 1.00 27. 46 C

ATOM 3435 OG SER B 221 -55.346 5.910 24. 553 1.00 27. 43 o

ATOM 3436 C SER B 221 -52.056 4.184 24. 285 1.00 29. 98 C TOM 3437 or SER B 221 -50.903 4.673 24 .248 1.00 21 .89 o

ATOM 3438 N CYS B 222 -52.395 3.012 23. 678 1.00 28. 49 N

ATOM 3439 CA CYS B 222 -51.412 2.171 22. 976 1.00 25. 95 C

ATOM 3440 CB CYS B 222 -50.962 1.101 24. 005 1.00 28. 37 C

ATOM 3441 SG CYS B 222 -49.885 -0.158 23. 197 1.00 29. 24 S

ATOM 3442 C CYS B 222 -52.045 1.588 21. 689 1.00 26. 79 C

ATOM 3443 or CYS B 222 -53.204 1.114 21 .711 1.00 28 .51 o TOM 3444 N GLN B 223 -51.388 1.723 20. 543 1.00 24. 72 N

ATOM 3445 CA GLN B 223 -51.735 1.032 19. 409 1.00 25. 43 C

ATOM 3446 CB GLN B 223 -51.995 1.945 18. 224 1.00 24. 70 C

ATOM 3447 CG GLN B 223 -52.423 1.270 16. 954 1.00 26. 57 C

ATOM 3448 CD GLN B 223 -53.014 2.191 15. 940 1.00 29. 31 C

ATOM 3449 OEl GLN B 223 -52.852 3.445 15. 999 1.00 35. 88 o

ATOM 3450 NE2 GLN B 223 -53.711 1.629 15. 005 1.00 24. 04 N

ATOM 3451 C GLN B 223 -50.583 -0.011 19. 065 1.00 28. 45 C

ATOM 3452 or GLN B 223 -49.360 0.321 18 .978 1.00 24 .00 o

ATOM 3461 N TYR B 225 -49.586 -2.510 16. 143 1.00 29. 26 N

ATOM 3462 CA TYR B 225 -49.741 -2.943 14. 762 1.00 29. 13 C

ATOM 3463 CB TYR B 225 -49.194 -1.910 13. 830 1.00 28. 97 C TOM 3464 CG TYR B 225 -49.267 -2.288 12. 404 1.00 29. 17 C

ATOM 3465 CD1 TYR B 225 -48.310 -3.117 11. 806 1.00 39. 67 C

ATOM 3466 CE1 TYR B 225 -48.408 -3.485 10. 409 1.00 34. 67 C

ATOM 3467 CZ TYR B 225 -49.460 -3.026 9. 661 1.00 33. 45 C

ATOM 3468 OH TYR B 225 -49.600 -3.295 8. 287 1.00 28. 94 o

ATOM 3469 CE2 TYR B 225 -50.359 -2.196 10. 270 1.00 33. 70 c

ATOM 3470 CD2 TYR B 225 -50.266 -1.871 11. 647 1.00 29. 92 c

ATOM 3471 C TYR B 225 -48.926 -4.252 14. 515 1.00 29. 84 c

ATOM 3472 or TYR B 225 -47.737 -4.265 14 .719 1.00 28 .41 o

ATOM 3482 N ARG B 227 -47.802 -7.199 11. 761 1.00 25. 36 N

ATOM 3483 CA ARG B 227 -47.862 -7.530 10. 406 1.00 24. 47 c

ATOM 3484 CB ARG B 227 -46.452 -7.653 9. 827 1.00 25. 57 c ATOM 3485 CG ARG B 227 -45.611 -8.743 10.484 1.00 28.78 C

ATOM 3486 CD ARG B 227 -44.273 -8.953 9.722 1.00 29.69 C

ATOM 3487 NE ARG B 227 -43.705 -10.232 10.161 1.00 33.88 N

ATOM 3488 CZ ARG B 227 -42.420 -10.417 10.396 1.00 36.14 C

ATOM 3489 NH1 ARG B 227 -41.991 -11.602 10.806 1.00 37.59 N

ATOM 3490 NH2 ARG B 227 -41.571 -9.411 10.243 1.00 30.91 N

ATOM 3491 C ARG B 227 -48.713 -8.811 10.052 1.00 23.09 C

ATOM 3492 or ARG B 227 -49.085 -9.053 8.853 1.00 21.64 O

ATOM 3493 N SER B 228 -49.004 -9.593 11.067 1.00 23.40 N

ATOM 3494 CA SER B 228 -49.746 -10.858 10.837 1.00 29.06 C

ATOM 3495 CB SER B 228 -48.855 -11.990 10.255 1.00 28.78 C

ATOM 3496 OG SER B 228 -48.285 -12.555 11.376 1.00 30.79 O

ATOM 3497 C SER B 228 -50.302 -11.232 12.144 1.00 28.20 C

ATOM 3498 or SER B 228 -49.697 -10.960 13.183 1.00 28.65 O

ATOM 3736 N ILE B 261 -55.603 -0.224 21.073 1.00 24.56 N

ATOM 3737 CA ILE B 261 -56.092 -0.334 19.812 1.00 22.37 C

ATOM 3738 CB ILE B 261 -55.839 1.019 18.969 1.00 23.19 C

ATOM 3739 CGI ILE B 261 -56.747 2.223 19.372 1.00 23.98 C

ATOM 3740 CD1 ILE B 261 -56.096 3.019 20.389 1.00 22.94 C

ATOM 3741 CG2 ILE B 261 -56.252 0.764 17.651 1.00 14.76 C

ATOM 3742 C ILE B 261 -55.268 -1.443 19.116 1.00 23.38 C

ATOM 3743 or ILE B 261 -54.014 -1.369 19.076 1.00 22.50 O

ATOM 3754 N THR B 263 -54.335 -3.482 15.640 1.00 18.76 N

ATOM 3755 CA THR B 263 -54.470 -3.491 14.246 1.00 20.84 C

ATOM 3756 CB THR B 263 -53.781 -2.034 13.703 1.00 21.47 C

ATOM 3757 OG1 THR B 263 -54.472 -0.990 1 .312 1.00 25.85 O

ATOM 3758 CG2 THR B 263 -53.880 -1.913 12.359 1.00 16.93 C

ATOM 3759 C THR B 263 -53.654 -4.581 13.565 1.00 20.30 C

ATOM 3760 or THR B 263 -52.496 -4.745 13.990 1.00 22.85 O

ATOM 3761 N LEU B 264 -54.137 -5.174 12.427 1.00 21.51 N

ATOM 3762 CA LEU B 264 -53.442 -6.303 11.878 1.00 21.77 C

ATOM 3763 CB LEU B 264 -5 .323 -7.638 12.077 1.00 24.98 C

ATOM 3764 CG LEU B 264 -54.533 -7.907 13.559 1.00 25.26 C

ATOM 3765 CD1 LEU B 264 -55.603 -8.929 13.839 1.00 29.95 c

ATOM 3766 CD2 LEU B 264 -53.142 -8.310 14.167 1.00 28.25 c

ATOM 3767 C LEU B 264 -53.179 -6.097 10.474 1.00 21.67 c

ATOM 3768 or LEU B 264 -53.983 -5.458 9.845 1.00 23.03 0

ATOM 3769 N GLY B 265 -52.067 -6.630 9.935 1.00 19.62 N

ATOM 3770 CA GLY B 265 -52.054 -6.743 8.543 1.00 20.89 c

ATOM 3771 C GLY B 265 -52.816 -8.071 8.224 1.00 27.19 c

ATOM 3772 or GLY B 265 -54.105 -8.085 8.080 1.00 26.55 0 ATOM 3773 N ASP B 266 -52.068 -9.202 8.113 1.00 27.40 N

ATOM 3774 CA ASP B 266 -52.722 -10.568 7. 754 1.00 26. 88 C

ATOM 3775 CB ASP B 266 -51.606 -11.538 7. 351 1.00 29. 29 C

ATOM 3776 CG ASP B 266 -52.091 -12.807 6. 557 1.00 29. 36 C

ATOM 3777 ODl ASP B 266 -53.242 -13.241 6. 662 1.00 21. 65 O

ATOM 3778 OD2 ASP B 266 -51.259 -13.285 5. 754 1.00 33. 07 0

ATOM 3779 C ASP B 266 -53.386 -11.119 9. 010 1.00 26. 59 C

ATOM 3780 or ASP B 266 -52.682 -11.596 9.880 1.00 24 .81 0

ATOM 3786 N HIS B 268 -55.708 -13.888 10. 507 1.00 29. 94 N

ATOM 3787 CA HIS B 268 -55.830 -15.245 9. 927 1.00 29. 31 C

ATOM 3788 CB HIS B 268 -54.602 -15.663 9. 110 1.00 29. 01 C

ATOM 3789 CG HIS B 268 -53.321 -15.771 9. 927 1.00 35. 25 C

ATOM 3790 ND1 HIS B 268 -52.366 -14.756 10. 002 1.00 32. 14 N

ATOM 3791 CE1 HIS B 268 -51.387 -15.119 10. 807 1.00 33. 42 C

ATOM 3792 NE2 HIS B 268 -51.663 -16.335 11. 267 1.00 38. 25 N

ATOM 3793 CD2 HIS B 268 -52.866 -16.762 10. 742 1.00 32. 11 C

ATOM 3794 C HIS B 268 -56.251 -16.194 10. 988 1.00 30. 56 C

ATOM 3795 or HIS B 268 -55.980 -16.000 12 .194 1.0C 28 .99 O

ATOM 3796 N ILE B 269 -57.073 -17.159 10. 487 1.00 32. 96 N

ATOM 3797 CA ILE B 269 -57.540 -18.351 11. 193 1.00 33. 43 C

ATOM 3798 CB ILE B 269 -59.104 -18.403 11. 262 1.00 34. 96 C

ATOM 3799 CGI ILE B 269 -59.587 -17.134 11. 973 1.00 29. 82 c

ATOM 3800 CD1 ILE B 269 -61.091 -16.991 11. 996 1.00 27. 54 c

ATOM 3801 CG2 ILE B 269 -59.653 -19.713 12. 139 1.00 34. 77 c

ATOM 3802 C ILE B 269 -56.895 -19.599 10. 546 1.00 32. 82 c

ATOM 3803 or ILE B 269 -56.962 -19.822 9 .344 1.00 32 .52 0

ATOM 3804 N TYR B 270 -56.137 -20.332 11. 357 1.00 33. 96 N

ATOM 3805 CA TYR B 270 -55.552 -21.640 10. 933 1.00 34. 34 C

ATOM 3806 CB TYR B 270 -54.600 -22.148 12. 050 1.00 33. 46 C

ATOM 3807 CG TYR B 270 -53.253 -21.568 11. 782 1.00 33. 11 C

ATOM 3808 CD1 TYR B 270 -52.751 -20.464 12. 533 1.00 34. 64 C

ATOM 3809 CE1 TYR B 270 -51.530 -19.859 12. 177 1.00 31. 54 C

ATOM 3810 CZ TYR B 270 -50.826 -20.332 11. 081 1.00 36. 86 c

ATOM 3811 OH TYR B 270 -49.605 -19.748 10. 658 1.00 42. 09 0

ATOM 3812 CE2 TYR B 270 -51.332 -21.391 10. 313 1.00 35. 19 c

ATOM 3813 CD2 TYR B 270 -52.570 -21.961 10. 668 1.00 33. 87 c

ATOM 3814 C TYR B 270 -56.717 -22.616 10. 689 1.00 32. 04 c

ATOM 3815 or TYR B 270 -57.570 -22.670 11 .505 1.00 31 .22 o

END

Table 5 ATOM 9 N GLY A 144 -31.981 16.631 2.504 1.00101.70 N

ATOM 10 CA GLY A 144 -32.411 15.687 3.575 1.00100.53 C

ATOM 11 C GLY A 144 -32.989 14.385 2.982 1.00 99.27 C

ATOM 12 or GLY A 144 -33.733 14.437 1.968 1.00 99.37 O

ATOM 13 N PRO A 145 -32.638 13.210 3.579 1.00 97.83 N

ATOM 14 CA PRO A 145 -32.990 11.960 2.897 1.00 96.44 C

ATOM 15 C PRO A 145 -34.498 11.738 2.960 1.00 94.88 C

ATOM 16 or PRO A 145 -35.011 11.321 4.006 1.00 95.54 O

ATOM 17 CB PRO A 145 -32.213 10.875 3.696 1.00 96.64 C

ATOM 18 CG PRO A 145 -31.214 11.612 4.571 1.00 96.95 C

ATOM 19 CD PRO A 145 -31.923 12.945 4.849 1.00 98.16 C

ATOM 20 N VAL A 146 -35.227 12.056 1.890 1.00 92.69 N

ATOM 21 CA VAL A 146 -36.680 11.904 1.981 1.00 89.88 C

ATOM 22 C VAL A 146 -37.104 10.513 1.571 1.00 89.08 C

ATOM 23 or VAL A 146 -36.295 9.637 1.192 1.00 88.48 O

ATOM 24 CB VAL A 146 -37.564 13.051 1.329 1.00 89.70 C

ATOM 25 CGI VAL A 146 -38.523 13.642 2.355 1.00 88.32 C

ATOM 26 CG2 VAL A 146 -36.740 14.161 0.686 1.00 88.72 C

ATOM 27 N TYR A 147 -38.398 10.300 1.724 1.00 88.54 N

ATOM 28 CA TYR A 147 -39.045 9.027 1.463 1.00 86.80 C

ATOM 29 C TYR A 147 -38.508 8.452 0.149 1.00 85.12 C

ATOM 30 or TYR A 147 -39.092 7.516 -0.412 1.00 86.08 0

ATOM 31 CB TYR A 147 -40.586 9.231 1.460 1.00 86.61 c

ATOM 32 CG TYR A 147 -41.057 10.211 2.551 1.00 87.34 c

ATOM 33 CD1 TYR A 147 -41.959 11.248 2.274 1.00 87.38 c

ATOM 34 CD2 TYR A 147 -40.557 10.126 3.859 1.00 87.90 c

ATOM 35 CE1 TYR A 147 -42.361 12.168 3.285 1.00 87.05 c

ATOM 36 CE2 TYR A 147 -40.968 11.028 4.879 1.00 88.40 c

ATOM 37 CZ TYR A 147 -41.860 12.055 4.592 1.00 87.33 c

ATOM 38 OH TYR A 147 -42.231 12.934 5.616 1.00 85.75 0

ATOM 39 N GLY A 148 -37.382 9.001 -0.328 1.00 82.71 N

ATOM 40 CA GLY A 148 -36.852 8.602 -1.641 1.00 80.03 C

ATOM 41 C GLY A 148 -35.477 8.007 -1.415 1.00 77.88 c

ATOM 42 or GLY A 148 -35.174 6.905 -1.898 1.00 77.68 0

ATOM 43 N PHE A 149 -34.644 8.745 -0.671 1.00 74.60 N

ATOM 44 CA PHE A 149 -33.330 8.251 -0.344 1.00 71.67 c

ATOM 45 C PHE A 149 -33.478 7.002 0.509 1.00 68.96 c

ATOM 46 or PHE A 149 -32.668 6.065 0.340 1.00 68.15 O

ATOM 47 CB PHE A 149 -32.396 9.295 0.327 1.00 72.00 c

ATOM 48 CG PHE A 149 -30.986 8.738 0.664 1.00 73.06 c

ATOM 49 CD1 PHE A 149 -30.740 8.087 1.891 1.00 71.05 c ATOM 50 CD2 PHE A 149 -29.933 8.829 -0.267 1.00 73.42 C

ATOM 51 CE1 PHE A 149 -29. 496 7.549 2. 196 1. 00 70. 33 C

ATOM 52 CE2 PHE A 149 -28. 667 8.292 0. 033 1. 00 72. 75 C

ATOM 53 CZ PHE A 149 -28. 456 7.650 1. 268 1. 00 71. 84 C

ATOM 54 N GLN A 150 -34. 485 6.967 1. 406 1. 00 65. 06 N

ATOM 55 CA GLN A 150 -34. 584 5.802 2. 307 1. 00 61. 34 C

ATOM 56 C GLN A 150 -35. 353 4.617 1. 699 1. 00 57. 84 C

ATOM 57 or GLN A 150 -35.153 3.511 2.135 1.00 57 .49 0

ATOM 58 CB GLN A 150 -35. 047 6.132 3. 729 1. 00 61. 77 C

ATOM 59 CG GLN A 150 -34. 734 7.550 4. 260 1. 00 64. 44 C

ATOM 60 CD GLN A 150 -36. 028 8.353 4. 683 1. 00 66. 88 C

ATOM 61 NE2 GLN A 150 -35. 809 9.327 5. 599 1. 00 68. 66 N

ATOM 62 OEl GLN A 150 -37. 198 8.106 4. 202 1. 00 60. 71 o

ATOM 63 N TRP A 151 -36. 202 4.854 0. 704 1. 00 54. 32 N

ATOM 64 CA TRP A 151 -36. 892 3.805 -0. 056 1. 00 52. 75 C

ATOM 65 C TRP A 151 -35. 934 3.017 -1. 036 1. 00 54. 11 C

ATOM 66 or TRP A 151 -36.245 1.889 -1 .448 1 .oc 52 .95 o

ATOM 67 CB TRP A 151 -37. 979 4.406 -0. 947 1. 00 49. 22 C

ATOM 68 CG TRP A 151 -39. 343 4.651 -0. 358 1. 00 47. 51 C

ATOM 69 CD1 TRP A 151 -39. 735 4.569 0. 993 1. 00 42. 81 C

ATOM 70 CD2 TRP A 151 -40. 501 5.069 -1. 092 1. 00 39. 39 c

ATOM 71 CE2 TRP A 151 -41. 568 5.190 -0. 168 1. 00 44. 10 c

ATOM 72 CE3 TRP A 151 -40. 742 5.335 -2. 438 1. 00 42. 12 c

ATOM 73 NE1 TRP A 151 -41. 082 4.859 1. 088 1. 00 41. 35 N

ATOM 74 CZ2 TRP A 151 -42. 864 5.639 -0. 558 1. 00 43. 76 c

ATOM 75 CZ3 TRP A 151 -42. 022 5.712 -2. 837 1. 00 44. 75 C

ATOM 76 CH2 TRP A 151 -43. 085 5.866 -1. 879 1. 00 45. 90 C

ATOM 77 N ARG A 152 -34. 850 3.679 -1. 474 1. 00 55. 57 N

ATOM 78 CA ARG A 152 -33. 920 3.177 -2. 492 1. 00 56. 13 C

ATOM 79 C ARG A 152 -32. 540 2.985 -1. 924 1. 00 58. 46 C

ATOM 80 or ARG A 152 -31 .829 2.083 -2 .391 1 .00 59 .80 o

ATOM 81 CB ARG A 152 -33. 844 4.060 -3. 726 1. 00 54. 02 C

ATOM 82 CG ARG A 152 -35. 160 4.527 -4. 289 1. 00 52. 72 C

ATOM 83 CD ARG A 152 -36. 210 3.412 -4. 707 1. 00 50. 99 C

ATOM 84 NE ARG A 152 -35. 668 2.293 -5. 492 1. 00 50. 26 N

ATOM 85 CZ ARG A 152 -35. 844 2.044 -6. 786 1. 00 49. 38 C

ATOM 86 NH1 ARG A 152 -36. 576 2.817 -7. 573 1. 00 50. 14 N

ATOM 87 NH2 ARG A 152 -35. 269 0.975 -7. 317 1. 00 53. 44 N

ATOM 88 N HIS A 153 -32. 128 3.769 -0. 926 1. 00 61. 08 N

ATOM 89 CA HIS A 153 -30. 714 3.657 -0. 446 1. 00 64. 64 C

ATOM 90 C HIS A 153 -30. 591 3.679 1. 111 1. 00 67. 82 C ATOM 91 or HIS A 153 -29.762 4.400 1.689 1.0C 6^" .37 o

ATOM 92 CB HIS A 153 -29.708 4. 666 -1.167 1.00 64. 06 C

ATOM 93 CG HIS A 153 -29.911 4. 836 -2.661 1.00 63. 28 C

ATOM 94 CD2 HIS A 153 -30.417 5. 871 -3.383 1.00 66. 42 C

ATOM 95 ND1 HIS A 153 -29.557 3. 875 -3.594 1.00 63. 30 N

ATOM 96 CE1 HIS A 153 -29.866 4. 286 -4.816 1.00 63. 98 C

ATOM 97 NE2 HIS A 153 -30.391 5. 496 -4.719 1.00 68. 37 N

ATOM 98 N PHE A 154 -31.413 2. 867 1.787 1.00 72. 19 N

ATOM 99 CA PHE A 154 -31.475 2. 916 3.244 1.00 75. 84 C

ATOM 100 C PHE A 154 -30.187 2. 589 4.005 1.00 78. 47 C

ATOM 101 or PHE A 154 -29.700 1 .464 3.971 1.00 78 .98 o

ATOM 102 CB PHE A 154 -32.615 2. 094 3.850 1.00 76. 44 C

ATOM 103 CG PHE A 154 -32.666 2. 261 5.324 1.00 78. 51 C

ATOM 104 CD1 PHE A 154 -33.249 3. 387 5.879 1.00 80. 41 C

ATOM 105 CD2 PHE A 154 -31.966 1. 401 6.164 1.00 83. 41 C

ATOM 106 CE1 PHE A 154 -33.226 3. 616 7.268 1.00 81. 60 C

ATOM 107 CE2 PHE A 154 -31.931 1. 626 7.574 1.00 84. 54 C

ATOM 108 CZ PHE A 154 -32.577 2. 738 8.114 1.00 81. 92 C

ATOM 109 N GLY A 155 -29.672 3. 567 4.741 1.00 81. 94 N

ATOM 110 CA GLY A 155 -28.530 3. 353 5.651 1.00 85. 97 C

ATOM 111 C GLY A 155 -27.150 3. 561 5.021 1.00 88. 92 C

ATOM 112 or GLY A 155 -26.115 3 .358 5.697 1.00 88 .98 o

ATOM 113 N ALA A 156 -27.149 3. 977 3.740 1.00 91. 56 N

ATOM 114 CA ALA A 156 -25.939 4. 205 2.942 1.00 94. 14 C

ATOM 115 C ALA A 156 -25.186 5. 463 3.382 1.00 96. 42 C

ATOM 116 or ALA A 156 -25.378 5 .976 4.490 1.00 96 .82 o

ATOM 117 CB ALA A 156 -26.288 4. 288 1.453 1.00 93. 52 C

ATOM 118 N GLU A 157 -24.322 5. 951 2.502 1.00 99. 15 N

ATOM 119 CA GLU A 157 -23.549 7. 145 2.766 1.00101. 62 C

ATOM 120 C GLU A 157 -24.278 8. 371 2.245 1.00102. 98 C

ATOM 121 or GLU A 157 -24.161 8 .690 1.049 1.00102 .78 o

ATOM 122 CB GLU A 157 -22.195 7. 007 2.083 1.00102. 06 C

ATOM 123 CG GLU A 157 -21.308 5. 966 2.746 1.00103. 92 C

ATOM 124 CD GLU A 157 -21.038 6. 308 4.203 1.00105. 47 C

ATOM 125 OEl GLU A 157 -21.632 5. 650 5.088 1.00106. 05 o

ATOM 126 OE2 GLU A 157 -20.258 7. 259 4.450 1.00105. 26 o

ATOM 127 N TYR A 158 -25.033 9. 051 3.129 1.00104. 99 N

ATOM 128 CA TYR A 158 -25.813 10. 254 2.716 1.00106. 37 C

ATOM 129 C TYR A 158 -24.814 11. 411 2.423 1.00107. 38 C

ATOM 130 or TYR A 158 -24.779 12 .444 3.139 1.00107 .84 o

ATOM 131 CB TYR A 158 -26.985 10. 613 3.713 1.00106. 19 C ATOM 132 CG TYR A 158 -27 871 11 786 3 247 1.00105 90 C

ATOM 133 CD1 TYR A 158 -28 530 11 743 2 010 1.00106 67 C

ATOM 134 CD2 TYR A 158 -28 012 12 952 4 020 1.00106 23 C

ATOM 135 CE1 TYR A 158 -29 296 12 828 1 550 1.00106 58 C

ATOM 136 CE2 TYR A 158 -28 785 14 051 3 562 1.00105 41 C

ATOM 137 CZ TYR A 158 -29 423 13 972 2 328 1.00105. 65 C

ATOM 138 OH TYR A 158 -30. 171 15 016 1. 844 1.00104. 27 o

ATOM 139 N ARG A 159 -24. 013 11. 197 1. 357 1.00108. 48 N

ATOM 140 CA ARG A 159 -22. 753 11. 935 1. 070 1.00109. 21 C

ATOM 141 C ARG A 159 -22. 833 13. 247 0. 242 1.00109. 70 C

ATOM 142 or ARG A 159 -22.526 14.321 0.782 1.00109.63 o

ATOM 143 CB ARG A 159 -21. 717 11. 002 0. 426 1.00109. 22 C

ATOM 144 CG ARG A 159 -20. 678 10. 370 1. 369 1.00109. 47 C

ATOM 145 CD ARG A 159 -19. 545 9. 695 0. 575 1.00109. 01 C

ATOM 146 NE ARG A 159 -20. 038 9. 040 -0. 648 1.00108. 98 N

ATOM 147 CZ ARG A 159 -20. 034 9. 588 -1. 870 1.00107. 63 C

ATOM 148 NH1 ARG A 159 -19. 553 10. 813 -2. 060 1.00107. 42 N TOM 149 NH2 ARG A 159 -20. 514 8. 913 -2. 910 1.00105. 42 N

TER 150 ARG A 159

ATOM 151 N TYR A 165 -24. 715 6. 223 -6. 113 1.00100. 94 N

ATOM 152 CA TYR A 165 -25. 380 5. 414 -5. 049 1.00 98. 03 C

ATOM 153 C TYR A 165 -25. 766 3. 938 -5. 356 1.00 97. 31 C

ATOM 154 or TYR A 165 -26 .087 2 .210 -4 .415 1.00 96 .96 o

ATOM 155 CB TYR A 165 -26. 561 6. 172 -4. 387 1.00 98. 30 C

ATOM 156 CG TYR A 165 -26. 196 7. 445 -3. 645 1.00 97. 73 C

ATOM 157 CD1 TYR A 165 -26. 668 8. 689 -4. 087 1.00 98. 41 C

ATOM 158 CD2 TYR A 165 -25. 387 7. 416 -2. 499 1.00 97. 49 C

ATOM 159 CE1 TYR A 165 -26. 334 9. 886 -3. 407 1.00 98. 28 C

ATOM 160 CE2 TYR A 165 -25. 044 8. 605 -1. 813 1.00 97. 48 C

ATOM 161 CZ TYR A 165 -25. 520 9. 835 -2. 274 1.00 97. 70 C

ATOM 162 OH TYR A 165 -25. 200 11. 006 -1. 615 1.00 96. 90 o

TER 163 TYR A 165

ATOM 164 N GLN A 168 -25. 801 0. 493 -2. 943 1.00 79. 71 N

ATOM 165 CA GLN A 168 -25. 407 0. 955 -1. 572 1.00 76. 62 C

ATOM 166 C GLN A 168 -26. 613 1. 243 -0. 682 1.00 73. 54 C

ATOM 167 or GLN A 168 -27 .540 1 .936 -1 .099 1.00 72 .85 o

ATOM 168 CB GLN A 168 -24. 593 2. 253 -1. 592 1.00 77. 38 c

ATOM 169 CG GLN A 168 -23. 422 2. 339 -2. 524 1.00 77. 73 c

ATOM 170 CD GLN A 168 -22. 891 3. 733 -2. 517 1.00 80. 13 c

ATOM 171 NE2 GLN A 168 -22. 664 4. 287 -3. 711 1.00 81. 68 N

ATOM 172 OEl GLN A 168 -22. 698 4. 332 -1. 444 1.00 80. 00 o ATOM 173 N GLY A 169 -26.538 0.770 0.563 1.00 70.29 N

ATOM 174 CA GLY A 169 -27.714 0.590 1 .440 1.00 65.84 C

ATOM 175 C GLY A 169 -28.755 -0.408 0 .911 1.00 61.80 C

ATOM 176 or GLY A 169 -28.622 -0.951 - 0.199 1.00 61.02 O

ATOM 177 N VAL A 170 -29.811 -0.616 1 .701 1.00 58.19 N

ATOM 178 CA VAL A 170 -30.957 -1.432 1 .296 1.00 53.76 C

ATOM 179 C VAL A 170 -31.948 -0.715 0 .347 1.00 51.41 C

ATOM 180 or VAL A 170 -32.527 0.365 0.648 1.00 50.64 O

ATOM 181 CB VAL A 170 -31.724 -1.999 2 .561 1.00 54.99 C

ATOM 182 CGI VAL A 170 -32.868 -2.958 2 .148 1.00 51.08 C

ATOM 183 CG2 VAL A 170 -30.728 -2.654 3 .588 1.00 54.31 C

TER 184 VAL A 170

ATOM 185 N GLN A 172 -35.295 -1.008 -0 .188 1.00 38.74 N

ATOM 186 CA GLN A 172 -36.628 -1.386 0 .277 1.00 35.69 C

ATOM 187 C GLN A 172 -37.635 -1.556 -0 .794 1.00 35.54 C

ATOM 188 or GLN A 172 -38.402 -2.508 — 0.780 1.00 37.13 O

ATOM 189 CB GLN A 172 -37.217 -0.359 1 .206 1.00 35.47 c

ATOM 190 CG GLN A 172 -36.430 -0.076 2 .402 1.00 33.35 c

ATOM 191 CD GLN A 172 -37.250 0.821 3 .341 1.00 36.82 c

ATOM 192 NE2 GLN A 172 -37.098 2.139 3 .230 1.00 37.06 N

ATOM 193 OE1 GLN A 172 -37.972 0.330 4 .155 1.00 34.47 O

TER 194 GLN A 172

ATOM 195 N ARG A 175 -36.615 -4.535 -3 .091 1.00 35.07 N

ATOM 196 CA ARG A 175 -36.892 -5.666 -2 .218 1.00 35.05 C

ATOM 197 C ARG A 175 -38.395 -6.079 -2 .073 1.00 37.08 C

ATOM 198 or ARG A 175 -38.737 -7.318 2.006 1.00 37.94 O

ATOM 199 CB ARG A 175 -36.273 -5.364 -0 .885 1.00 34.30 C

ATOM 200 CG ARG A 175 -36.566 -6.323 0 .118 1.00 37.37 C

ATOM 201 CD ARG A 175 -35.530 -6.352 1 .200 1.00 43.49 C

ATOM 202 NE ARG A 175 -35.943 -5.580 2 .358 1.00 48.47 N

ATOM 203 CZ ARG A 175 -35.172 -5.340 3 .420 1.00 50.69 C

ATOM 204 NH1 ARG A 175 -33.936 -5.833 3 .504 1.00 46.03 N

ATOM 205 NH2 ARG A 175 -35.651 -4.606 4 .411 1.00 51.45 N

TER 206 ARG A 175

ATOM 207 N ARG A 188 -43.913 - 10.216 5 .371 1.00 30.88 N

ATOM 208 CA ARG A 188 -42.890 -9.235 5 .676 1.00 32.24 C

ATOM 209 C ARG A 188 -42.690 -8.267 4 .547 1.00 30.95 C

ATOM 210 or ARG A 188 -41.634 -7.765 4.387 1.00 29.23 O

ATOM 211 CB ARG A 188 -41.571 -9.962 5 .941 1.00 31.94 C

ATOM 212 CG ARG A 188 -41.739 - 10.959 7 .139 1.00 36.60 C

ATOM 213 CD ARG A 188 -40.557 - 11.919 7 .365 1.00 33.28 C ATOM 214 NE ARG A 188 -40 290 -12.634 6.132 1.00 38.17 N

ATOM 215 CZ ARG A 188 -39 529 -13.731 6.018 1.00 35.43 C

ATOM 216 NH1 ARG A 188 -38 956 -14.272 7.076 1.00 34.07 N

ATOM 217 NH2 ARG A 188 -39. 385 -14.266 4.849 1.00 31.35 N

ATOM 218 N ILE A 189 -43. 681 -8.075 3.704 1.00 31.10 N

ATOM 219 CA ILE A 189 -43. 454 -7.255 2.582 1.00 31.45 C

ATOM 220 C ILE A 189 -43. 687 -5.727 2.943 1.00 33.47 C

ATOM 221 or ILE A 189 -44 .626 -5.126 2.484 1.00 32.11 o

ATOM 222 CB ILE A 189 -44. 289 -7.685 1.388 1.00 32.41 C

ATOM 223 CGI ILE A 189 -44. 348 -9.246 1.210 1.00 31.69 C

ATOM 224 CG2 ILE A 189 -43. 849 -6.903 0.114 1.00 28.03 C

ATOM 225 CD1 ILE A 189 -45. 096 -9.678 -0.091 1.00 29.65 C

ATOM 226 N ILE A 190 -42. 713 -5.155 3.640 1.00 33.60 N

ATOM 227 CA ILE A 190 -42. 774 -3.955 4.472 1.00 35.21 C

ATOM 228 C ILE A 190 -41. 707 -2.891 3.999 1.00 36.93 C

ATOM 229 or ILE A 190 -4C .559 -3.197 3.707 1.0C 37.57 o

ATOM 230 CB ILE A 190 -42. 663 -4.314 5.946 1.00 34.35 C

ATOM 231 CGI ILE A 190 -43. 918 -5.090 6.388 1.00 32.17 C

ATOM 232 CG2 ILE A 190 -42. 487 -3.067 6.845 1.00 31.09 C

ATOM 233 CD1 ILE A 190 -43. 787 -5.757 7.627 1.00 29.54 C

ATOM 234 N MET A 191 -42. 142 -1.657 3.787 1.00 37.10 N

ATOM 235 CA MET A 191 -41. 234 -0.579 3.337 1.00 37.19 C

ATOM 236 C MET A 191 -41. 561 0.620 4.266 1.00 36.41 C

ATOM 237 or MET A 191 -42 .785 0.969 4.473 1.00 34.47 o

ATOM 238 CB MET A 191 -41. 454 -0.328 1.832 1.00 34.68 C

ATOM 239 CG MET A 191 -40. 660 0.773 1.341 1.00 40.52 C

ATOM 240 SD MET A 191 -41. 007 1.268 -0.290 1.00 47.05 s

ATOM 241 CE MET A 191 -42. 474 0.273 -0.487 1.00 36.53 C

ATOM 242 N CYS A 192 -40. 511 1.182 4.891 1.00 36.38 N

ATOM 243 CA CYS A 192 -40. 647 2.344 5.834 1.00 38.06 C

ATOM 244 C CYS A 192 -40. 117 3.648 5.292 1.00 38.62 C

ATOM 245 or CYS A 192 -39 .240 3.632 4.409 1.00 39.33 o

ATOM 246 CB CYS A 192 -40. 059 2.123 7.177 1.00 36.41 C

ATOM 247 SG CYS A 192 -40. 722 0.657 8.055 1.00 42.50 S

ATOM 248 N ALA A 193 -40. 730 4.751 5.766 1.00 39.17 N

ATOM 249 CA ALA A 193 -40. 353 6.178 5.447 1.00 37.77 C

ATOM 250 C ALA A 193 -40. 203 6.972 6.736 1.00 37.78 C

ATOM 251 or ALA A 193 -40 .889 6.712 7.741 1.00 38.79 o

ATOM 252 CB ALA A 193 -41. 318 6.825 4.455 1.00 37.96 C

ATOM 253 N TRP A 194 -39. 162 7.808 6.776 1.00 37.53 N

ATOM 254 CA TRP A 194 -38. 786 8.570 7.967 1.00 37.44 C ATOM 255 C TRP A 194 -39 041 10.068 7.672 1.00 38.59 C

ATOM 256 or TRP A 194 -38.949 10.518 6.517 1.00 37.16 0

ATOM 257 CB TRP A 194 -37. 343 8.368 8.377 1 .00 37. 31 C

ATOM 258 CG TRP A 194 -37. 079 7.078 9.120 1 .00 34. 96 C

ATOM 259 CD1 TRP A 194 -36. 956 6.924 10.447 1 .00 32. 62 C

ATOM 260 CD2 TRP A 194 -36. 927 5.754 8.532 1 .00 32. 44 C

ATOM 261 CE2 TRP A 194 -36. 736 4.851 9.577 1 .00 31. 49 c

ATOM 262 CE3 TRP A 194 -36. 959 5.270 7.221 1 .00 32. 42 c

ATOM 263 NE1 TRP A 194 -36. 721 5.572 10.744 1 .00 33. 87 N

ATOM 264 CZ2 TRP A 194 -36. 570 3.467 9.361 1 .00 35. 04 C

ATOM 265 CZ3 TRP A 194 -36. 773 3.919 7.005 1 .00 33. 75 c

ATOM 266 CH2 TRP A 194 -36. 574 3.028 8.076 1 .00 31. 78 c

ATOM 267 N ASN A 195 -39. 482 10.790 8.697 1 .00 39. 59 N

ATOM 268 CA ASN A 195 -39. 377 12.249 8.656 1 .00 42. 02 C

ATOM 269 C ASN A 195 -37. 851 12.619 8.678 1 .00 42. 29 C

ATOM 270 or ASN A 195 -37 .062 12.176 9.527 1.0C 42 .05 o

ATOM 271 CB ASN A 195 -40. 240 12.864 9.781 1 .00 42. 33 C

ATOM 272 CG ASN A 195 -40. 400 14.412 9.672 1 .00 45. 04 C

ATOM 273 ND2 ASN A 195 -41. 518 14.946 10.175 1 .00 42. 89 N

ATOM 274 ODl ASN A 195 -39. 505 15.101 9.196 1 .00 48. 45 o

ATOM 275 N PRO A 196 -37. 388 13.350 7.668 1 .00 44. 15 N

ATOM 276 CA PRO A 196 -35. 953 13.779 7.576 1 .00 44. 71 C

ATOM 277 C PRO A 196 -35. 438 14.500 8.814 1 .00 45. 65 C

ATOM 278 or PRO A 196 -34 .271 14.318 9.192 1.0C 47 .05 o

ATOM 279 CB PRO A 196 -35. 952 14.710 6.373 1 .00 46. 56 C

ATOM 280 CG PRO A 196 -37. 115 14.108 5.473 1 .00 47. 72 C

ATOM 281 CD PRO A 196 -38. 189 13.755 6.504 1 .00 43. 65 C

ATOM 282 N ARG A 197 -36. 289 15.244 9.511 1 .00 46. 16 N

ATOM 283 CA ARG A 197 -35. 865 15.865 10.771 1 .00 47. 46 C

ATOM 284 C ARG A 197 -35. 538 14.952 11.902 1 .00 47. 50 C

ATOM 285 or ARG A 197 -34 .845 15.349 12.849 1.00 47 .85 o

ATOM 286 CB ARG A 197 -36. 857 16.911 11.276 1 .00 47. 96 C

ATOM 287 CG ARG A 197 -38. 300 16.518 11.192 1 .00 50. 68 C

ATOM 288 CD ARG A 197 -39. 265 17.464 11.976 1 .00 51. 35 C

ATOM 289 NE ARG A 197 -38. 607 18.361 12.933 1 .00 55. 05 N

ATOM 290 CZ ARG A 197 -38. 495 18.164 14.248 1 .00 58. 19 C

ATOM 291 NHl ARG A 197 -38. 975 17.065 14.838 1 .00 57. 84 N

ATOM 292 NH2 ARG A 197 -37. 883 19.092 15.000 1 .00 61. 24 N

ATOM 293 N ASP A 198 -36. 075 13.731 11.875 1 .00 47. 84 N

ATOM 294 CA ASP A 198 -35. 743 12.762 12.911 1 .00 46. 54 C

ATOM 295 C ASP A 198 -34. 383 12.116 12.714 1 .00 46. 92 C ATOM 296 or ASP A 198 -33.854 11.507 13.617 1.0C 45.81 o

ATOM 297 CB ASP A 198 -36. 821 11.658 12. 951 1.00 46. 33 C

ATOM 298 CG ASP A 198 -38. 208 12.206 13. 260 1.00 42. 55 C

ATOM 299 ODl ASP A 198 -38. 329 13.265 13. 896 1.00 42. 69 o

ATOM 300 OD2 ASP A 198 -39. 190 11.595 12. 815 1.00 37. 36 o TOM 301 N LEU A 199 -33. 848 12.166 11. 506 1.00 49. 56 N

ATOM 302 CA LEU A 199 -32. 658 11.318 11. 195 1.00 52. 92 C

ATOM 303 C LEU A 199 -31. 437 11.682 12. 074 1.00 55. 14 C

ATOM 304 or LEU A 199 -30 .874 10.782 12 .724 1.00 56 .47 o TOM 305 CB LEU A 199 -32. 347 11.293 9. 698 1.00 51. 27 c

ATOM 306 CG LEU A 199 -33. 493 10.619 8. 961 1.00 48. 92 c

ATOM 307 CD1 LEU A 199 -33. 174 10.477 7. 525 1.00 46. 43 c

ATOM 308 CD2 LEU A 199 -33. 714 9.280 9. 563 1.00 49. 34 c

ATOM 309 N PRO A 200 -31. 085 12.991 12. 154 1.00 57. 05 N

ATOM 310 CA PRO A 200 -30. 033 13.398 13. 116 1.00 59. 36 C

ATOM 311 C PRO A 200 -30. 401 13.306 14. 642 1.00 61. 56 C

ATOM 312 or PRO A 200 -29 .487 13.282 15 .494 1.00 62 .07 o

ATOM 313 CB PRO A 200 -29. 721 14.853 12. 705 1.00 59. 27 c

ATOM 314 CG PRO A 200 -30. 901 15.335 11. 843 1.00 57. 97 c

ATOM 315 CD PRO A 200 -31. 595 14.123 11. 332 1.00 56. 76 c

ATOM 316 N LEU A 201 -31. 698 13.217 14. 985 1.00 62. 60 N

ATOM 317 CA LEU A 201 -32. 155 13.373 16. 370 1.00 63. 53- C

ATOM 318 C LEU A 201 -31. 857 12.251 17. 340 1.00 63. 82 C

ATOM 319 or LEU A 201 -31 .872 12.494 18 .572 1.00 64 .26 o

ATOM 320 CB LEU A 201 -33. 659 13.629 16. 409 1.00 64. 72 C

ATOM 321 CG LEU A 201 -34. 000 15.099 16. 620 1.00 67. 35 C

ATOM 322 CD1 LEU A 201 -35. 007 15.659 15. 529 1.00 69. 68 c

ATOM 323 CD2 LEU A 201 -34. 471 15.357 18. 063 1.00 67. 81 c

ATOM 324 N MET A 202 -31. 620 11.033 16. 826 1.00 63. 38 N

ATOM 325 CA MET A 202 -31. 418 9.841 17. 685 1.00 64. 20 C TOM 326 C MET A 202 -30. 989 8.611 16. 903 1.00 62. 25 C

ATOM 327 or MET A 202 -31 .149 8.564 15 .673 1.00 63 .85 o

ATOM 328 CB MET A 202 -32. 686 9.504 18. 494 1.00 64. 36 c

ATOM 329 CG MET A 202 -33. 946 9.245 17. 625 1.00 66. 58 c

ATOM 330 SD MET A 202 -35. 478 9.045 18. 610 1.00 69. 54 s TOM 331 CE MET A 202 -36. 332 10.569 18. 125 1.00 68. 76 c

ATOM 332 N ALA A 203 -30. 434 7.628 17. 618 1.00 59. 90 N

ATOM 333 CA ALA A 203 -30. 149 6.304 17. 055 1.00 58. 31 c

ATOM 334 C ALA A 203 -31. 474 5.497 16. 974 1.00 56. 25 C

ATOM 335 or ALA A 203 -32 .372 5.727 17 .781 1.00 56 .31 o

ATOM 336 CB ALA A 203 -29. 085 5.556 17. 925 1.00 58. 00 c ATOM 337 N LEU A 204 -31.589 4.572 16.018 1.00 54.14 N

ATOM 338 CA LEU A 204 -32.862 3.918 15.765 1.00 52.08 C

ATOM 339 C LEU A 204 -34.061 4.921 15.876 1.00 49.44 C

ATOM 340 or LEU A 204 -34.873 4.776 16.769 1.00 47.81 o

ATOM 341 CB LEU A 204 -33.015 2.731 16.753 1.00 52.65 C

ATOM 342 CG LEU A 204 -34.170 1.680 16.676 1.00 54.72 C

ATOM 343 CD1 LEU A 204 -33.749 0.382 16.024 1.00 54.44 C

ATOM 344 CD2 LEU A 204 -34.780 1.376 18.034 1.00 53.19 C

ATOM 345 N PRO A 205 -34.157 5.954 14.986 1.00 47.74 N

ATOM 346 CA PRO A 205 -35.332 6.826 15.098 1.00 46.04 c

ATOM 347 C PRO A 205 -36.554 6.135 14.464 1.00 45.13 c

ATOM 348 or PRO A 205 -36.438 5.496 13.388 1.00 43.15 o

ATOM 349 CB PRO A 205 -34.953 8.041 14.236 1.00 44.52 c

ATOM 350 CG PRO A 205 -34.020 7.523 13.229 1.00 44.21 c

ATOM 351 CD PRO A 205 -33.301 6.365 13.839 1.00 48.04 c

ATOM 352 N PRO A 206 -37.736 6.334 15.076 1.00 44.43 N

ATOM 353 CA PRO A 206 -38.908 5.701 14.450 1.00 42.55 c

ATOM 354 C PRO A 206 -39.282 6.317 13.147 1.00 40.02 C TOM 355 or PRO A 206 -39.117 7.564 12.878 1.00 41.45 o

ATOM 356 CB PRO A 206 -40.007 5.750 15.557 1.00 44.64 c

ATOM 357 CG PRO A 206 -39.586 6.895 16.473 1.00 43.01 c

ATOM 358 CD PRO A 206 -38.060 7.033 16.334 1.00 44.21 c

ATOM 359 N CYS A 207 -39.727 5.419 12.291 1.00 36.25 N

ATOM 360 CA CYS A 207 -40.209 5.782 10.992 1.00 34.47 c

ATOM 361 C CYS A 207 -41.453 6.650 11.192 1.00 30.85 c

ATOM 362 or CYS A 207 -42.016 6.681 12.234 1.00 26.93 o

ATOM 363 CB CYS A 207 -40.528 4.537 10.137 1.00 34.70 c

ATOM 364 SG CYS A 207 -42.159 3.643 10.678 1.00 41.14 S

ATOM 365 N HIS A 208 -41.844 7.348 10.150 1.00 32.87 N

ATOM 366 CA HIS A 208 -43.052 8.129 10.137 1.00 33.79 C

ATOM 367 C HIS A 208 -44.225 7.177 9.626 1.00 33.87 C

ATOM 368 or HIS A 208 -45.272 7.106 10.192 1.00 34.08 o

ATOM 369 CB HIS A 208 -42.914 9.396 9.191 1.00 33.74 C

ATOM 370 CG HIS A 208 -44.218 10.138 9.060 1.00 40.21 C TOM 371 CD2 HIS A 208 -44.929 10.853 9.981 1.00 41.04 C

ATOM 372 ND1 HIS A 208 -45.064 9.978 7.962 1.00 45.72 N

ATOM 373 CE1 HIS A 208 -46.192 10.640 8.186 1.00 46.08 C

ATOM 374 NE2 HIS A 208 -46.150 11.151 9.409 1.00 43.98 N

ATOM 375 N ALA A 209 -43.990 6.497 8.510 1.00 32.80 N

ATOM 376 CA ALA A 209 -44.959 5.691 7.827 1.00 34.86 C

ATOM 377 C ALA A 209 -44.374 4.241 7.624 1.00 35.31 C ATOM 378 or ALA A 209 -43.265 4.071 7.121 1.00 34.13 o

ATOM 379 CB ALA A 209 -45. ,294 6.295 6 .422 1.00 31.62 C

ATOM 380 N LEU A 210 -45. 184 3.225 7 .940 1.00 34.94 N

ATOM 381 CA LEU A 210 -44. 880 1.883 7 .392 1.00 32.59 C

ATOM 382 C LEU A 210 -45. 951 1.406 6 .434 1.00 31.45 C TOM 383 or LEU A 210 -47.137 1.508 6.640 1.00 31.19 o

ATOM 384 CB LEU A 210 -44. 537 0.939 8 .510 1.00 34.12 C

ATOM 385 CG LEU A 210 -45. 311 -0.186 9 .165 1.00 40.38 C

ATOM 386 CD1 LEU A 210 -45. 816 -1.276 8 .161 1.00 29.67 C

ATOM 387 CD2 LEU A 210 -44. 225 -0.718 10 .119 1.00 42.75 C

ATOM 388 N CYS A 211 -45. 481 0.949 5 .309 1.00 30.41 N

ATOM 389 CA CYS A 211 -46. 243 0.419 4 .220 1.00 30.91 C

ATOM 390 C CYS A 211 -46. 062 -1.207 4 .135 1.00 31.88 C

ATOM 391 or CYS A 211 -44 1.922 -1.711 3.959 1.00 30.77 o

ATOM 392 CB CYS A 211 -45. 562 1.058 3 .054 1.00 30.30 C

ATOM 393 SG CYS A 211 -46. 330 0.834 1 .706 1.00 38.52 S

TER 394 CYS A 211

ATOM 395 N TYR A 225 -49. 599 2.488 7 .552 1.00 27.94 N

ATOM 396 CA TYR A 225 -49. 734 2.910 8 .921 1.00 27.58 C

ATOM 397 C TYR A 225 -48. 911 4.244 9 .134 1.00 29.16 C TOM 398 or TYR A 225 -47 '.729 4.286 B.834 1.00 28.81 o

ATOM 399 CB TYR A 225 -49. 179 1.873 9 .823 1.00 27.53 C

ATOM 400 CG TYR A 225 -49. 272 2.239 11 .252 1.00 29.27 C

ATOM 401 CD1 TYR A 225 -48. 304 3.023 11 .869 1.00 39.76 C

ATOM 402 CD2 TYR A 225 -50. 327 1.884 11 .988 1.00 30.24 C

ATOM 403 CE1 TYR A 225 -48. 406 3.395 13 .244 1.00 32.93 C

ATOM 404 CE2 TYR A 225 -50. 429 2.236 13 .330 1.00 32.47 c

ATOM 405 CZ TYR A 225 -49. 487 2.994 13 .959 1.00 32.47 c

ATOM 406 OH TYR A 225 -49. 628 3.295 15 .331 1.00 27.40 o

TER 407 TYR A 225

ATOM 408 N ARG A 227 -47. 776 7.197 11 .857 1.00 24.19 N

ATOM 409 CA ARG A 227 -47. 880 7.525 13 .219 1.00 23.53 C

ATOM 410 C ARG A 227 -48. 722 8.844 13 .575 1.00 23.71 C

ATOM 411 or ARG A 227 -49 1.098 9.083 14.755 1.00 22.27 o

ATOM 412 CB ARG A 227 -46. 493 7.617 13 .828 1.00 24.47 C

ATOM 413 CG ARG A 227 -45. 638 8.730 13 .241 1.00 28.30 c

ATOM 414 CD ARG A 227 -44. 357 9.041 14 .066 1.00 29.04 c

ATOM 415 NE ARG A 227 -43. 748 10.281 13 .524 1.00 33.38 N

ATOM 416 CZ ARG A 227 -42. 467 10.431 13 .221 1.00 35.94 C

ATOM 417 NH1 ARG A 227 -42. 068 11.583 12 .720 1.00 36.61 N

ATOM 418 NH2 ARG A 227 -41. 585 9.450 13 .420 1.00 32.51 N TER 419 ARG A 227

ATOM 420 N PRO B 145 -32. 690 -13.200 20. 255 1.00 95. 12 N

ATOM 421 CA PRO B 145 -33. 052 -11.935 20. 897 1.00 93. 89 C

ATOM 422 C PRO B 145 -34. 547 -11.708 20. 777 1.00 92. 39 c

ATOM 423 or PRO B 145 -35.014 -11.329 19.706 1.00 92.86 O

ATOM 424 CB PRO B 145 -32. 246 -10.874 20. 092 1.00 94. 10 c

ATOM 425 CG PRO B 145 -31. 497 -11.625 18. 978 1.00 94. 23 c

ATOM 426 CD PRO B 145 -32. 219 -12.975 18. 871 1.00 95. 36 c

TER 427 PRO B 145

ATOM 428 N PHE B 149 -34. 809 -8.629 24. 392 1.00 76. 76 N

ATOM 429 CA PHE B 149 -33. 450 -8.172 24. 112 1.00 73. 80 c

ATOM 430 C PHE B 149 -33. 522 -7.015 23. 142 1.00 70. 94 c

ATOM 431 or PHE B 149 -32 .626 -6.148 23 .179 1.00 7C .44 O

ATOM 432 CB PHE B 149 -32. 489 -9.268 23. 548 1.00 74. 53 c

ATOM 433 CG PHE B 149 -31. 053 -8.745 23. 244 1.00 75. 70 c

ATOM 434 CD1 PHE B 149 -30. 695 -8.313 21. 955 1.00 75. 41 c

ATOM 435 CD2 PHE B 149 -30. 088 -8.636 24. 266 1.00 76. 97 c

ATOM 436 CE1 PHE B 149 -29. 407 -7.791 21. 676 1.00 75. 74 c

ATOM 437 CE2 PHE B 149 -28. 782 -8.126 23. 994 1.00 75. 87 c

ATOM 438 CZ PHE B 149 -28. 447 -7.709 22. 701 1.00 75. 40 c

ATOM 439 N GLN B 150 -34. 537 -6.992 22. 259 1.00 66. 79 N

ATOM 440 CA GLN B 150 -34. 603 -5.853 21. 335 1.00 62. 98 C

ATOM 441 C GLN B 150 -35. 344 -4.654 21. 933 1.00 59. 60 C

ATOM 442 or GLN B 150 -35 .162 -3.562 21 .447 1.0C 59 .82 O

ATOM 443 CB GLN B 150 -35. 109 -6.198 19. 938 1.00 63. 36 c

ATOM 444 CG GLN B 150 -34. 673 -7.554 19. 354 1.00 64. 92 c

ATOM 445 CD GLN B 150 -35. 907 -8.397 18. 909 1.00 67. 67 c

ATOM 446 NE2 GLN B 150 -35. 649 -9.316 17. 980 1.00 68. 77 N

ATOM 447 OE1 GLN B 150 -37. 086 -8.209 19. 382 1.00 65. 17 O

ATOM 448 N TRP B 151 -36. 164 -4.866 22. 967 1.00 55. 59 N

ATOM 449 CA TRP B 151 -36. 882 -3.811 23. 688 1.00 52. 41 c

ATOM 450 C TRP B 151 -35. 938 -3.048 24. 686 1.00 53. 35 c

ATOM 451 or TRP B 151 -36 .209 -1.914 25 .086 1.00 50 .83 O

ATOM 452 CB TRP B 151 -37. 969 -4.431 24. 554 1.00 48. 95 c

ATOM 453 CG TRP B 151 -39. 362 -4.668 23. 996 1.00 46. 37 c

ATOM 454 CD1 TRP B 151 -39. 791 -4.607 22. 666 1.00 40. 79 c

ATOM 455 CD2 TRP B 151 -40. 511 -5.075 24. 773 1.00 38. 94 C

ATOM 456 CE2 TRP B 151 -41. 610 -5.195 23. 879 1.00 42. 77 C

ATOM 457 CE3 TRP B 151 -40. 722 -5.298 26. 132 1.00 39. 70 C

ATOM 458 NE1 TRP B 151 -41. 154 -4.894 22. 608 1.00 41. 10 N

ATOM 459 CZ2 TRP B 151 -42. 901 -5.596 24. 314 1.00 42. 31 C ATOM 460 CZ3 TRP B 151 -41.,990 -5.657 26.571 1.00 43.72 C

ATOM 461 CH2 TRP B 151 -43. .078 -5. 815 25. 648 1. 00 45.38 C

ATOM 462 N ARG B 152 -34. 900 -3. 752 25. 162 1. 00 54.94 N

ATOM 463 CA ARG B 152 -33. 956 -3. 265 26. 173 1. 00 55.73 C

ATOM 464 C ARG B 152 -32. 584 -3. 003 25. 588 1. 00 57.99 C

ATOM 465 or ARG B 152 -31.916 -2 !.054 26.030 1 ..00 59.72 o

ATOM 466 CB ARG B 152 -33. 842 -4. 188 27. 390 1. 00 53.80 C

ATOM 467 CG ARG B 152 -35. 147 -4. 595 28. 086 1. 00 51.73 C

ATOM 468 CD ARG B 152 -36. 171 -3. 450 28. 431 1. 00 51.95 C

ATOM 469 NE ARG B 152 -35. 588 -2. 326 29. 174 1. 00 50.94 N

ATOM 470 CZ ARG B 152 -35. 784 -2. 033 30. 445 1. 00 49.45 C

ATOM 471 NH1 ARG B 152 -36. 586 -2. 758 31. 203 1. 00 53.57 N

ATOM 472 NH2 ARG B 152 -35. 159 -0. 997 30. 972 1. 00 53.50 N

ATOM 473 N HIS B 153 -32. 138 -3. 780 24. 605 1. 00 60.73 N

ATOM 474 CA HIS B 153 -30. 736 -3. 641 24. 125 1. 00 64.02 C

ATOM 475 C HIS B 153 -30. 639 -3. 667 22. 585 1. 00 67.35 C

ATOM 476 or HIS B 153 -2S 1.854 -4 .429 22 :.006 1 . . oc 1 66.92 o

ATOM 477 CB HIS B 153 -29. 742 -4. 665 24. 805 1. 00 63.52 C

ATOM 478 CG HIS B 153 -29. 908 -4. 822 26. 301 1. 00 62.88 C

ATOM 479 CD2 HIS B 153 -30. 403 -5. 845 27. 044 1. 00 66.41 C

ATOM 480 ND1 HIS B 153 -29. 540 -3. 848 27. 213 1. 00 63.83 N

ATOM 481 ^" CE1 HIS B 153 -29. 821 -4. 243 28. 447 1. 00 63.80 C

ATOM 482 NE2 HIS B 153 -30. 343 -5. 457 28. 376 1. 00 68.04 N

ATOM 483 N PHE B 154 -31. 429 -2. 819 21. 919 1. 00 71.72 N

ATOM 484 CA PHE B 154 -31. 476 -2. 870 20. 471 1. 00 75.81 C

ATOM 485 C PHE B 154 -30. 169 -2. 639 19. 700 1. 00 79.02 C

ATOM 486 or PHE B 154 -29 1.587 -1 .541 19.741 1 .00 79.09 o

ATOM 487 CB PHE B 154 -32. 572 -2. 027 19. 817 1. 00 76.37 C

ATOM 488 CG PHE B 154 -32. 600 -2. 261 18. 353 1. 00 78.20 C

ATOM 489 CD1 PHE B 154 -31. 568 -1. 770 17. 545 1. 00 81.14 c

ATOM 490 CD2 PHE B 154 -33. 514 -3. 118 17. 791 1. 00 79.24 c

ATOM 491 CE1 PHE B 154 -31. 507 -2. 074 16. 186 1. 00 81.69 c

ATOM 492 CE2 PHE B 154 -33. 464 -3. 413 16. 421 1. 00 80.99 c

ATOM 493 CZ PHE B 154 -32. 470 -2. 892 15. 624 1. 00 80.86 c

ATOM 494 N GLY B 155 -29. 755 -3. 661 18. 946 1. 00 82.95 N

ATOM 495 CA GLY B 155 -28. 721 -3. 527 17. 892 1. 00 87.50 C

ATOM 496 C GLY B 155 -27. 313 -3. 611 18. 441 1. 00 90.79 C

ATOM 497 or GLY B 155 -26 ..321 -3 .435 17 .698 1 .00 90.85 o

ATOM 498 N ALA B 156 -27. 261 -3. 885 19. 752 1. 00 94.13 N

ATOM 499 CA ALA B 156 -26. 041 -4. 051 20. 529 1. 00 97.35 C

ATOM 500 C ALA B 156 -25. 277 -5. 310 20. 117 1. 00 99.89 C ATOM 501 or ALA B 156 -25.856 -6.295 19.626 1.00100.45 o

ATOM 502 CB ALA B 156 -26.361 -4.094 22.035 1.00 96.65 C TOM 503 N GLU B 157 -23.964 -5.231 20.304 1.00102.82 N

ATOM 504 CA GLU B 157 -23.070 -6.363 20.259 1.00105.27 C

ATOM 505 C GLU B 157 -23.632 -7.516 21.094 1.00106.60 C

ATOM 506 or GLU B 157 -23.462 -7.573 22.319 1.00106.55 o

ATOM 507 CB GLU B 157 -21.703 -5.920 20.796 1.00105.78 C

ATOM 508 CG GLU B 157 -20.797 -5.295 19.748 1.00106.90 C

ATOM 509 CD GLU B 157 -20.228 -6.344 18.812 1.00108.92 C

ATOM 510 OEl GLU B 157 -20.036 -7.506 19.259 1.00108.35 o

ATOM 511 OE2 GLU B 157 -19.978 -6.009 17.631 1.00110.13 o

ATOM 512 N TYR B 158 -24.341 -8.410 20.413 1.00108.62 N

ATOM 513 CA TYR B 158 -24.828 -9.646 21.013 1.00110.47 C

ATOM 514 C TYR B 158 -23.586 - 10.534 21.180 1.00111.34 C

ATOM 515 or TYR B 158 -23.013 -11.000 20.182 1.00111.49 o

ATOM 516 CB TYR B 158 -25.869 - 10.293 20.073 1.00110.77 C

ATOM 517 CG TYR B 158 -26.892 - 11.245 20.693 1.00111.43 C

ATOM 518 CD1 TYR B 158 -26.631 - 11.936 21.900 1.00112.25 c

ATOM 519 CD2 TYR B 158 -28.118 - 11.489 20.041 1.00111.17 c

ATOM 520 CE1 TYR B 158 -27.582 - 12.831 22.450 1.00112.39 c

ATOM 521 CE2 TYR B 158 -29.059 - 12.371 20.573 1.00110.99 c

ATOM 522 CZ TYR B 158 -28.795 - 13.042 21.776 1.00112.08 c

ATOM 523 OH TYR B 158 -29.730 - 13.927 22.294 1.00110.80 o

TER 524 TYR B 158

ATOM 525 N GLY B 169 -26.517 -0.703 23.190 1.00 71.73 N

ATOM 526 CA GLY B 169 -27.668 -0.469 22.291 1.00 66.83 c

ATOM 527 C GLY B 169 -28.708 0.522 22.821 1.00 62.79 c

ATOM 528 or GLY B 169 -28.583 1.050 23.943 1.00 62.11 o

ATOM 529 N VAL B 170 -29.757 0.740 22.020 1.00 58.96 N

ATOM 530 CA VAL B 170 -30.944 1.523 22.428 1.00 54.33 C

ATOM 531 C VAL B 170 -31.902 0.769 23.380 1.00 51.67 C

ATOM 532 or VAL B 170 -32.402 -0.315 23.072 1.00 50.86 o

ATOM 533 CB VAL B 170 -31.734 2.069 21.167 1.00 55.30 c

ATOM 534 CGI VAL B 170 -32.964 2.899 21.575 1.00 51.51 c

ATOM 535 CG2 VAL B 170 -30.790 2.874 20.220 1.00 54.55 c

ATOM 536 N ASP B 171 -32.159 1.366 24.534 1.00 47.72 N

ATOM 537 CA ASP B 171 -33.283 0.963 25.368 1.00 45.05 c

ATOM 538 C ASP B 171 -34.689 1.598 24.947 1.00 42.37 C

ATOM 539 or ASP B 171 -35.135 2.659 25.444 1.00 41.58 o

ATOM 540 CB ASP B 171 -32.904 1.098 26.843 1.00 44.77 C

ATOM 541 CG ASP B 171 -33.931 0.495 27.750 1.00 45.95 C ATOM 542 OD1 ASP B 171 -35.034 0.205 27.240 1.00 46 48 O

ATOM 543 OD2 ASP B 171 -33.677 0.329 28.964 1.00 45. 87 O

ATOM 544 N GLN B 172 -35.351 0.918 23.986 1.00 39. 59 N

ATOM 545 CA GLN B 172 -36.611 1.312 23.412 1.00 35. 54 C

ATOM 546 C GLN B 172 -37.651 1.490 24.437 1.00 35. 63 C

ATOM 547 or GLN B 172 -38.436 2.433 24.362 1.00 37.80 O

ATOM 548 CB GLN B 172 -37.147 0.279 22.471 1.00 35. 49 C

ATOM 549 CG GLN B 172 -36.415 0.081 21.225 1.00 31. 81 C

ATOM 550 CD GLN B 172 -37.227 -0.806 20.265 1.00 35. 20 C

ATOM 551 NE2 GLN B 172 -37.082 -2.117 20.383 1.00 35. 28 N

ATOM 552 OE1 GLN B 172 -37.950 -0.314 19.436 1.00 36. 75 O

ATOM 553 N LEU B 173 -37.670 0.643 25.431 1.00 33. 48 N

ATOM 554 CA LEU B 173 -38.650 0.788 26.459 1.00 34. 15 C

ATOM 555 C LEU B 173 -38.446 1.969 27.443 1.00 35. 55 C

ATOM 556 or LEU B 173 -39.408 2.680 27.797 1.0C 36.01 O

ATOM 557 CB LEU B 173 -38.842 -0.569 27.191 1.00 30. 54 c

ATOM 558 CG LEU B 173 -39.744 -0.627 28.423 1.00 30. 91 c

ATOM 559 CD1 LEU B 173 -41.296 -0.366 28.217 1.00 28. 34 c

ATOM 560 CD2 LEU B 173 -39.501 -2.027 29.142 1.00 36. 28 c

ATOM 561 N GLN B 174 -37.220 2.131 27.968 1.00 38. 26 N

ATOM 562 CA GLN B 174 -36.881 3.280 28.850 1.00 39. 36 C

ATOM 563 C GLN B 174 -37.044 4.544 27.991 1.00 38. 17 C

ATOM 564 or GLN B 174 -37.593 5.538 28.426 1.0C 3S .73 O

ATOM 565 CB GLN B 174 -35.433 3.124 29.411 1.00 40. 93 c

ATOM 566 CG GLN B 174 -35.073 3.729 30.806 1.00 40. 28 c

ATOM 567 CD GLN B 174 -36.224 4.107 31.699 1.00 44. 74 c

ATOM 568 NE2 GLN B 174 -36.542 5.363 31.673 1.00 43. 80 N

ATOM 569 OE1 GLN B 174 -36.773 3.304 32.484 1.00 51. 78 O

ATOM 570 N ARG B 175 -36.645 4.479 26.736 1.00 36. 16 N

ATOM 571 CA ARG B 175 -36.892 5.631 25.891 1.00 35. 18 C

ATOM 572 C ARG B 175 -38.392 6.051 25.703 1.00 37. 76 C

ATOM 573 or ARG B 175 -38.727 7.299 25.681 1.00 38 .75 O

ATOM 574 CB ARG B 175 -36.226 5.375 24.595 1.00 34. 31 C

ATOM 575 CG ARG B 175 -36.604 6.314 23.607 1.00 36. 50 C

ATOM 576 CD ARG B 175 -35.551 6.484 22.542 1.00 41. 40 C

ATOM 577 NE ARG B 175 -35.807 5.782 21.282 1.00 45. 01 N

ATOM 578 CZ ARG B 175 -34.867 5.613 20.343 1.00 46. 48 C

ATOM 579 NH1 ARG B 175 -33.629 6.062 20.493 1.00 46. 60 N

ATOM 580 NH2 ARG B 175 -35.158 4.980 19.249 1.00 47. 45 N

ATOM 581 N VAL B 176 -39.325 5.063 25.626 1.00 34. 66 N

ATOM 582 CA VAL B 176 -40.778 5.366 25.678 1.00 31. 53 C ATOM 583 C VAL B 176 -41.212 6.023 26.997 1.00 32.31 C

ATOM 584 or VAL B 176 -41.949 6.994 27.033 1.00 31.46 o

ATOM 585 CB VAL B 176 -41.628 4. 019 25.398 1.00 31.63 C

ATOM 586 CGI VAL B 176 -43.054 4. 096 25.880 1.00 28.08 C

ATOM 587 CG2 VAL B 176 -41.481 3. 645 23.929 1.00 23.90 C

ATOM 588 N ILE B 177 -40.811 5. 440 28.099 1.00 33.31 N

ATOM 589 CA ILE B 177 -41.209 5. 978 29.374 1.00 35.22 C

ATOM 590 C ILE B 177 -40.702 7. 504 29.582 1.00 37.64 C

ATOM 591 or ILE B 177 -41.470 ε .366 30.021 1.00 38.47 o

ATOM 592 CB ILE B 177 -40.680 5. 059 30.498 1.00 34.67 C

ATOM 593 CGI ILE B 177 -41.279 3. 629 30.370 1.00 34.58 C

ATOM 594 CG2 ILE B 177 -40.917 5. 721 31.924 1.00 34.69 C

ATOM 595 CD1 ILE B 177 -40.570 2. 477 31.169 1.00 32.44 c

ATOM 596 N ASP B 178 -39.419 7. 756 29.275 1.00 37.49 N

ATOM 597 CA ASP B 178 -38.776 9. 071 29.343 1.00 36.91 C

ATOM 598 C ASP B 178 -39.456 10. 042 28.426 1.00 37.73 C

ATOM 599 or ASP B 178 -39.772 11 .133 28.870 1.00 39.23 o

ATOM 600 CB ASP B 178 -37.334 8. 960 28.885 1.00 35.88 C

ATOM 601 CG ASP B 178 -36.494 8. 183 29.850 1.00 36.25 C

ATOM 602 ODl ASP B 178 -36.984 7. 944 31.004 1.00 34.59 o

ATOM 603 OD2 ASP B 178 -35.355 7. 862 29.442 1.00 38.17 o

ATOM 604 N THR B 179 -39.686 9. 684 27.150 1.00 37.49 N

ATOM 605 CA THR B 179 -40.414 10. 582 26.263 1.00 35.29 C

ATOM 606 C THR B 179 -41.787 10. 934 26.770 1.00 37.21 C

ATOM 607 or THR B 179 -42.295 12 .007 26.491 1.00 39.12 o

ATOM 608 CB THR B 179 -40.500 10. 054 24.887 1.00 34.79 C TOM 609 CG2 THR B 179 -41.125 11. 016 23.936 1.00 31.80 C

ATOM 610 OGl THR B 179 -39.190 9. 806 24.411 1.00 36.18 o

ATOM 611 N ILE B 180 -42.432 10. 031 27.490 1.00 37.92 N

ATOM 612 CA ILE B 180 -43.780 10. 325 27.990 1.00 37.72 C TOM 613 C ILE B 180 -43.686 11. 365 29.102 1.00 38.73 C

ATOM 614 or ILE B 180 -44.601 12 .141 29.337 1.00 37.65 o

ATOM 615 CB ILE B 180 -44.455 9. 019 28.601 1.00 36.46 c

ATOM 616 CGI ILE B 180 -45.076 8. 163 27.484 1.00 38.34 c

ATOM 617 CG2 ILE B 180 -45.454 9. 376 29.683 1.00 33.66 c

ATOM 618 CD1 ILE B 180 -45.512 6. 677 27.995 1.00 36.44 c

ATOM 619 N LYS B 181 -42.621 11. 230 29.884 1.00 40.42 N

ATOM 620 CA LYS B 181 -42.325 12. 150 30.943 1.00 43.43 C

ATOM 621 C LYS B 181 -41.848 13. 554 30.367 1.00 43.71 C

ATOM 622 or LYS B 181 -42.411 14 .563 30.689 1.00 45.43 o

ATOM 623 CB LYS B 181 -41.295 11. 516 31.855 1.00 44.24 c ATOM 624 CG LYS B 181 -41.789 10.466 32.893 1.00 47.08 C

ATOM 625 CD LYS B 181 -40.520 9.880 33.541 1.00 50.64 C

ATOM 626 CE LYS B 181 -40.753 8.628 34.330 1.00 52.42 C

ATOM 627 NZ LYS B 181 -40.985 8.899 35.775 1.00 56.34 N

ATOM 628 N THR B 182 -40.924 13.577 29.418 1.00 43.16 N

ATOM 629 CA THR B 182 -40.398 14.791 28.905 1.00 40.84 C

ATOM 630 C THR B 182 -41.219 15.499 27.828 1.00 41.44 C

ATOM 631 or THR B 182 -41.126 16.744 27.739 1.00 41.75 o

ATOM 632 CB THR B 182 -38.985 14.608 28.404 1.00 41.84 C

ATOM 633 CG2 THR B 182 -38.036 14.183 29.569 1.00 41.71 C

ATOM 634 OGl THR B 182 -38.921 13.746 27.246 1.00 37.07 o

ATOM 635 N ASN B 183 -41.947 14.750 26.970 1.00 38.26 N

ATOM 636 CA ASN B 183 -42.826 15.344 26.008 1.00 34.95 C

ATOM 637 C ASN B 183 -44.057 14.460 25.627 1.00 35.68 C

ATOM 638 or ASN B 183 -44.083 13.819 24.555 1.00 36.26 o

ATOM 639 CB ASN B 183 -42.031 15.717 24.768 1.00 33.42 C

ATOM 640 CG ASN B 183 -42.836 16.575 23.798 1.00 31.88 C

ATOM 641 ND2 ASN B 183 -42.484 16.561 22.541 1.00 27.58 N

ATOM 642 ODl ASN B 183 -43.833 17.155 24.185 1.00 38.75 o

ATOM 643 N PRO B 184 -45.126 14.488 26.444 1.00 37.37 N

ATOM 644 CA PRO B 184 -46.405 13.706 26.188 1.00 36.91 C

ATOM 645 C PRO B 184 -47.155 13.879 24.889 1.00 37.02 C

ATOM 646 or PRO B 184 -47.950 12.974 24.452 1.00 37.84 o

ATOM 647 CB PRO B 184 -47.279 14.021 27.417 1.00 38.42 C

ATOM 648 CG PRO B 184 -46.699 15.380 27.952 1.00 37.15 C

ATOM 649 CD PRO B 184 -45.172 15.166 27.766 1.00 36.69 C

ATOM 650 N ASP B 185 -46.886 14.967 24.202 1.00 35.69 N

ATOM 651 CA ASP B 185 -47.537 15.197 22.953 1.00 33.28 C

ATOM 652 C ASP B 185 -46.778 14.527 21.847 1.00 32.40 C

ATOM 653 or ASP B 185 -47.244 14.515 20.709 1.00 30.37 o

ATOM 654 CB ASP B 185 -47.529 16.697 22.630 1.00 36.56 C

ATOM 655 CG ASP B 185 -48.465 17.555 23.570 1.00 42.93 c

ATOM 656 ODl ASP B 185 -49.513 17.066 24.055 1.00 43.30 o

ATOM 657 OD2 ASP B 185 -48.128 18.748 23.783 1.00 50.06 o

ATOM 658 N ASP B 186 -45.558 14.064 22.106 1.00 30.91 N

ATOM 659 CA ASP B 186 -44.772 13.464 21.043 1.00 31.55 c

ATOM 660 C ASP B 186 -45.549 12.330 20.217 1.00 31.91 c

ATOM 661 or ASP B 186 -46.407 11.568 20.744 1.00 31.55 o

ATOM 662 CB ASP B 186 -43.463 12.998 21.694 1.00 33.81 c

ATOM 663 CG ASP B 186 -42.338 12.766 20.688 1.00 36.12 c

ATOM 664 ODl ASP B 186 -42.549 12.331 19.572 1.00 41.31 o ATOM 665 OD2 ASP B 186 -41 186 13.029 21 030 1.00 51 71 o

ATOM 666 N ARG B 187 -45 372 12.374 18. 909 1.00 30 52 N

ATOM 667 CA ARG B 187 -46 023 11.517 18. 003 1.00 31 25 C

ATOM 668 C ARG B 187 -45. 073 10.354 17. 624 1.00 31. 94 C

ATOM 669 or ARG B 187 -45.387 9.663 16.687 1.00 30.97 o

ATOM 670 CB ARG B 187 -46. 497 12.283 16. 720 1.00 31. 28 C

ATOM 671 CG ARG B 187 -47. 594 13.433 16. 973 1.00 29. 83 C

ATOM 672 CD ARG B 187 -47. 524 14.445 15. 843 1.00 30. 74 C

ATOM 673 NE ARG B 187 -48. 587 15.410 15. 932 1.00 28. 47 N

ATOM 674 CZ ARG B 187 -48. 980 16.170 14. 941 1.00 23. 33 C

ATOM 675 NH1 ARG B 187 -50. 060 16.946 15. 081 1.00 30. 60 N

ATOM 676 NH2 ARG B 187 -48. 360 16.148 13. 809 1.00 27. 43 N

ATOM 677 N ARG B 188 -43. 936 10.195 18. 339 1.00 31. 02 N

ATOM 678 CA ARG B 188 -42. 943 9.234 17. 993 1.00 32. 80 C

ATOM 679 C ARG B 188 -42. 683 8.246 19. 104 1.00 31. 25 C

ATOM 680 or ARG B 188 -41 .634 7.712 IS .162 1.0C 3C .75 o

ATOM 681 CB ARG B 188 -41. 619 9.944 17. 623 1.00 32. 63 C

ATOM 682 CG ARG B 188 -41. 810 11.018 16. 508 1.00 37. 04 C

ATOM 683 CD ARG B 188 -40. 572 11.902 16. 285 1.00 33. 33 C

ATOM 684 NE ARG B 188 -40. 300 12.614 17. 522 1.00 38. 76 N

ATOM 685 CZ ARG B 188 -39. 499 13.676 17. 661 1.00 36. 31 C

ATOM 686 NH1 ARG B 188 -38. 848 14.200 16. 638 1.00 35. 22 N

ATOM 687 NH2 ARG B 188 -39. 365 14.178 18. 830 1.00 33. 87 N

ATOM 688 N ILE B 189 -43. 604 8.065 20. 021 1.00 32. 06 N

ATOM 689 CA ILE B 189 -43. 375 7.220 21. 128 1.00 32. 52 C

ATOM 690 C ILE B 189 -43. 684 5.719 20. 730 1.00 34. 70 C

ATOM 691 or ILE B 189 -44 .678 5.150 21 .149 1.00 33 .14 o

ATOM 692 CB ILE B 189 -44. 212 7.632 22. 314 1.00 34. 04 C

ATOM 693 CGI ILE B 189 -44. 302 9.187 22. 498 1.00 32. 97 C

ATOM 694 CG2 ILE B 189 -43. 769 6.845 23. 549 1.00 29. 27 C

ATOM 695 CD1 ILE B 189 -45. 079 9.639 23. 779 1.00 31. 47 C

ATOM 696 N ILE B 190 -42. 732 5.126 20. 010 1.00 34. 54 N

ATOM 697 CA ILE B 190 -42. 847 3.919 19. 201 1.00 36. 54 C

ATOM 698 C ILE B 190 -41. 751 2.878 19. 622 1.00 38. 51 C

ATOM 699 or ILE B 190 -40 .565 3.206 19 .753 1.00 38 .60 o

ATOM 700 CB ILE B 190 -42. 739 4.262 17. 738 1.00 35. 46 C

ATOM 701 CGI ILE B 190 -43. 978 5.085 17. 310 1.00 32. 90 C

ATOM 702 CG2 ILE B 190 -42. 559 3.027 16. 861 1.00 34. 33 C

ATOM 703 CD1 ILE B 190 -43. 873 5.725 16. 067 1.00 25. 96 C

ATOM 704 N MET B 191 -42. 175 1.638 19. 877 1.00 38. 47 N

ATOM 705 CA MET B 191 -41. 264 0.559 20. 334 1.00 39. 32 C ATOM 706 C MET B 191 -41.542 -0.615 19.373 1.00 38.59 C

ATOM 707 or MET B 191 -42.739 -0.948 19.116 1.00 37.92 0

ATOM 708 CB MET B 191 -41.602 0.248 21.791 1 .00 37. 42 C

ATOM 709 CG MET B 191 -40.559 -0.434 22.486 1 .00 40. 73 C

ATOM 710 SD MET B 191 -41.082 -1.269 23.921 1 .00 48. 32 S

ATOM 711 CE MET B 191 -42.489 -0.244 24.242 1 .00 39. 67 C

ATOM 712 N CYS B 192 -40.497 -1.175 18.750 1 .00 38. 42 N

ATOM 713 CA CYS B 192 -40.672 -2.330 17.806 1 .00 39. 00 C

ATOM 714 C CYS B 192 -40.163 -3.649 18.352 1 .00 39. 02 C

ATOM 715 or CYS B 192 -39.267 -3.652 19.203 1.00 3£ .73 o

ATOM 716 CB CYS B 192 -40.119 -2.114 16.436 1 .00 37. 96 C

ATOM 717 SG CYS B 192 -40.658 -0.601 15.549 1 .00 44. 69 S

ATOM 718 N ALA B 193 -40.821 -4.750 17.926 1 .00 39. 00 N

ATOM 719 CA ALA B 193 -40.398 -6.162 18.240 1 .00 36. 94 C

ATOM 720 C ALA B 193 -40.209 -6.995 16.953 1 .00 36. 92 C

ATOM 721 or ALA B 193 -40.852 -6.768 15.917 1.0C 38 .02 o

ATOM 722 CB ALA B 193 -41.315 -6.794 19.257 1 .00 36. 18 C

ATOM 723 N TRP B 194 -39.198 -7.848 16.945 1 .00 37. 03 N

ATOM 724 CA TRP B 194 -38.831 -8.589 15.728 1 .00 37. 16 C

ATOM 725 C TRP B 194 -39.069 - 10.084 16.034 1 .00 38. 47 C

ATOM 726 or TRP B 194 -38.986 -10.527 17.205 1.0C 37 .14 o

ATOM 727 CB TRP B 194 -37.377 -8.382 15.304 1 .00 36. 39 C

ATOM 728 CG TRP B 194 -37.104 -7.109 14.562 1 .00 33. 25 C

ATOM 729 CD1 TRP B 194 -36.985 -6.968 13.251 1 .00 30. 66 C

ATOM 730 CD2 TRP B 194 -36.937 -5.800 15.140 1 .00 30. 61 C

ATOM 731 CE2 TRP B 194 -36.767 -4.904 14.092 1 .00 31. 03 C

ATOM 732 CE3 TRP B 194 -36.994 -5.312 16.448 1 .00 31. 10 c

ATOM 733 NE1 TRP B 194 -36.740 -5.637 12.939 1 .00 33. 43 N

ATOM 734 CZ2 TRP B 194 -36.575 -3.516 14.289 1 .00 34. 64 C

ATOM 735 CZ3 TRP B 194 -36.785 -3.944 16.660 1 .00 33. 75 C

ATOM 736 CH2 TRP B 194 -36.573 -3.062 15.574 1 .00 32. 85 C

ATOM 737 N ASN B 195 -39.443 - 10.818 14.988 1 .00 39. 85 N

ATOM 738 CA ASN B 195 -39.387 - 12.275 15.034 1 .00 41. 41 C

ATOM 739 C ASN B 195 -37.898 - 12.629 15.023 1 .00 41. 45 C TOM 740 or ASN B 195 -37.172 -12.219 14.123 1.00 41 .48 o

ATOM 741 CB ASN B 195 -40.164 - 12.865 13.829 1 .00 42. 62 c

ATOM 742 CG ASN B 195 -40.454 - 14.385 13.973 1 .00 44. 76 c

ATOM 743 ND2 ASN B 195 -41.544 - 14.842 13.392 1 .00 42. 77 N

ATOM 744 ODl ASN B 195 -39.680 - 15.119 14.566 1 .00 50. 76 o

ATOM 745 N PRO B 196 -37.399 - 13.335 16.053 1 .00 43. 35 N

ATOM 746 CA PRO B 196 -35.927 - 13.686 16.002 1 .00 44. 56 C ATOM 747 C PRO B 196 -35.432 -14.475 14.790 1.00 45.02 C

ATOM 748 or PRO B 196 -34 .267 -14 .293 14.407 1.0C 46.95 o

ATOM 749 CB PRO B 196 -35. 665 -14. 442 17.308 1.00 45. 58 C

ATOM 750 CG PRO B 196 -37. 032 -14. 975 17.729 1.00 46. 98 C

ATOM 751 CD PRO B 196 -38. 041 -13. 831 17.282 1.00 43. 40 c

TER 752 PRO B 196

ATOM 753 N ASP B 198 -36. 056 -13. 703 11.760 1.00 46. 36 N

ATOM 754 CA ASP B 198 -35. 743 -12. 765 10.684 1.00 45. 71 C

ATOM 755 C ASP B 198 -34. 379 -12. 113 10.855 1.00 46. 12 C

ATOM 756 or ASP B 198 -33 .856 -11 .548 9.922 1.00 45 .44 o

ATOM 757 CB ASP B 198 -36. 829 -11. 674 10.625 1.00 45. 80 C

ATOM 758 CG ASP B 198 -38. 229 -12. 240 10.333 1.00 42. 86 c

ATOM 759 ODl ASP B 198 -38. 342 -13. 211 9.567 1.00 44. 73 o

ATOM 760 OD2 ASP B 198 -39. 214 -11. 711 10.892 1.00 38. 84 o

ATOM 761 N LEU B 199 -33. 842 -12. 118 12.066 1.00 48. 28 N

ATOM 762 CA LEU B 199 -32. 623 -11. 310 12.354 1.00 51. 48 c

ATOM 763 C LEU B 199 -31. 390 -11. 764 11.522 1.00 52. 86 c

ATOM 764 or LEU B 199 -30 .814 -10 .953 10.783 1.00 52 .87 o

ATOM 765 CB LEU B 199 -32. 359 -11. 264 13.858 1.00 50. 43 c

ATOM 766 CG LEU B 199 -33. 485 -10. 569 14.625 1.00 49. 20 C

ATOM 767 CD1 LEU B 199 -33. 059 -10. 288 16.018 1.00 48. 02 c

ATOM 768 CD2 LEU B 199 -33. 843 -9. 269 13.988 1.00 49. 32 c

ATOM 769 N PRO B 200 -31. 053 -13. 077 11.565 1.00 55. 25 N

ATOM 770 CA PRO B 200 -29. 999 -13. 586 10.660 1.00 57. 08 C

ATOM 771 C PRO B 200 -30. 290 -13. 445 9.141 1.00 59. 63 C

ATOM 772 or PRO B 200 -29 .328 -13 .489 8.331 1.00 59 .99 o

ATOM 773 CB PRO B 200 -29. 873 -15. 062 11.050 1.00 57. 11 c

ATOM 774 CG PRO B 200 -31. 106 -15. 406 11.894 1.00 56. 41 c

ATOM 775 CD PRO B 200 -31. 589 -14. 126 12.470 1.00 55. 16 c

ATOM 776 N LEU B 201 -31. 571 -13. 211 8.758 1.00 60. 84 N

ATOM 777 CA LEU B 201 -32. 040 -13. 392 7.371 1.00 61. 25 C

ATOM 778 C LEU B 201 -31. 805 -12. 300 6.349 1.00 61. 60 c

ATOM 779 or LEU B 201 -31 .774 -12 .600 5.139 1.00 61 .55 o

ATOM 780 CB LEU B 201 -33. 522 -13. 790 7.331 1.00 62. 23 c

ATOM 781 CG LEU B 201 -33. 712 -15. 298 7.127 1.00 63. 17 c

ATOM 782 CD1 LEU B 201 -34. 140 -16. 133 8.454 1.00 61. 84 c

ATOM 783 CD2 LEU B 201 -34. 592 -15. 603 5.871 1.00 63. 12 c

ATOM 784 N MET B 202 -31. 647 -11. 050 6.801 1.00 61. 79 N

ATOM 785 CA MET B 202 -31. 467 -9. 897 5.883 1.00 62. 83 c

ATOM 786 C MET B 202 -30. 968 -8. 686 6.630 1.00 60. 82 C

ATOM 787 or MET B 202 -31 .031 -8 .670 7.851 1.00 61 .82 o ATOM 788 CB MET B 202 -32.780 -9.534 5.132 1.00 63.34 C

ATOM 789 CG MET B 202 -34.089 -9.466 6.027 1.00 65.01 C

ATOM 790 SD MET B 202 -35.544 -8.891 5.060 1.00 68.05 S

ATOM 791 CE MET B 202 -36.561 -10.409 4.996 1.00 66.81 C

ATOM 792 N ALA B 203 -30.460 -7.692 5.894 1.00 58.99 N

ATOM 793 CA ALA B 203 -30.143 -6.373 6.444 1.00 57.55 C

ATOM 794 C ALA B 203 -31.468 -5.574 6.635 1.00 56.25 C

ATOM 795 or ALA B 203 -32.391 -5.734 5.831 1.00 56.77 O

ATOM 796 CB ALA B 203 -29.193 -5.635 5.482 1.00 56.69 C

ATOM 797 N LEU B 204 -31.566 -4.714 7.653 1.00 54.52 N

ATOM 798 CA LEU B 204 -32.814 -3.991 7.900 1.00 52.88 C

ATOM 799 C LEU B 204 -34.030 -4.976 7.815 1.00 51.08 C

ATOM 800 or LEU B 204 -34.889 -4.810 6.949 1.00 50.13 O

ATOM 801 CB LEU B 204 -32.942 -2.838 6.863 1.00 53.21 C

ATOM 802 CG LEU B 204 -33.640 -1.436 6.909 1.00 54.99 C

ATOM 803 CD1 LEU B 204 -35.083 -1.367 6.364 1.00 53.68 c

ATOM 804 CD2 LEU B 204 -33.507 -0.704 8.257 1.00 55.83 c

ATOM 805 N PRO B 205 -34.083 -6.020 8.688 1.00 49.97 N

ATOM 806 CA PRO B 205 -35.262 -6.910 8.673 1.00 48.07 C

ATOM 807 C PRO B 205 -36.489 -6.187 9.229 1.00 46.62 C

ATOM 808 or PRO B 205 -36.399 -5.473 10.252 1.00 44.77 O

ATOM 809 CB PRO B 205 -34.870 -8.031 9.657 1.00 46.78 C

ATOM 810 CG PRO B 205 -33.891 -7.407 10.569 1.00 46.66 C

ATOM 811 CD PRO B 205 -33.117 -6.450 9.732 1.00 49.86 C

ATOM 812 N PRO B 206 -37.631 -6.385 8.577 1.00 45.49 N

ATOM 813 CA PRO B 206 -38.833 -5.788 9.154 1.00 44.08 C

ATOM 814 C PRO B 206 -39.276 -6.359 10.459 1.00 40.84 C

ATOM 815 or PRO B 206 -39.137 -7.565 10.779 1.00 41.76 0

ATOM 816 CB PRO B 206 -39.898 -5.873 8.001 1.00 46.24 c

ATOM 817 CG PRO B 206 -39.442 -6.964 7.126 1.00 44.74 c

ATOM 818 CD PRO B 206 -37.883 -7.003 7.261 1.00 46.25 c

ATOM 819 N CYS B 207 -39.766 -5.454 11.268 1.00 38.08 N

ATOM 820 CA CYS B 207 -40.231 -5.817 12.582 1.00 36.32 C

ATOM 821 C CYS B 207 -41.500 -6.645 12.408 1.00 32.97 C

ATOM 822 or CYS B 207 -42.063 -6.688 11.359 1.00 29.19 O

ATOM 823 CB CYS B 207 -40.451 -4.567 13.441 1.00 37.63 C

ATOM 824 SG CYS B 207 -42.194 -3.760 13.327 1.00 45.81 S

ATOM 825 N HIS B 208 -41.898 -7.333 13.456 1.00 34.57 N

ATOM 826 CA HIS B 208 -43.095 -8.136 13.473 1.00 35.53 C

ATOM 827 C HIS B 208 -44.249 -7.198 13.992 1.00 34.88 c

ATOM 828 or HIS B 208 -45.344 -7.190 13.497 1.00 34.61 0 ATOM 829 CB HIS B 208 -42.945 -9.369 14.448 1.00 34.30 C

ATOM 830 CG HIS B 208 -44.252 -10.105 14.627 1.00 41.74 C

ATOM 831 CD2 HIS B 208 -44.948 -10.917 13.770 1.00 40.77 C

ATOM 832 ND1 HIS B 208 -45.088 -9.903 15.729 1.00 47.22 N

ATOM 833 CE1 HIS B 208 -46.207 -10.604 15.556 1.00 47.03 C TOM 834 NE2 HIS B 208 -46.153 -11.217 14.378 1.00 44.27 N

ATOM 835 N ALA B 209 -43.957 -6.490 15.074 1.00 34.86 N

ATOM 836 CA ALA B 209 -44.929 -5.698 15.796 1.00 36.71 C

ATOM 837 C ALA B 209 -44.360 -4.237 15.936 1.00 37.05 C

ATOM 838 or ALA B 209 -43.179 -4.030 16.268 1.00 35.88 o

ATOM 839 CB ALA B 209 -45.206 -6.278 17.208 1.00 34.48 C

ATOM 840 N LEU B 210 -45.222 -3.247 15.685 1.00 36.34 N

ATOM 841 CA LEU B 210 -44.901 -1.916 16.251 1.00 34.15 C

ATOM 842 C LEU B 210 -45.973 -1.429 17.209 1.00 32.22 C

ATOM 843 or LEU B 210 -47.160 -1.618 17.047 1.00 32.43 o

ATOM 844 CB LEU B 210 -44.474 -0.960 15.159 1.00 34.33 C

ATOM 845 CG LEU B 210 -45.340 0.101 14.516 1.00 39.25 C

ATOM 846 CD1 LEU B 210 -45.774 1.240 15.508 1.00 28.12 C TOM 847 CD2 LEU B 210 -44.388 0.649 13.510 1.00 41.40 C

ATOM 848 N CYS B 211 -45.509 -0.840 18.278 1.00 32.16 N

ATOM 849 CA CYS B 211 -46.286 -0.376 19.383 1.00 32.81 c

ATOM 850 C CYS B 211 -46.118 1.225 19.535 1.00 34.25 c

ATOM 851 or CYS B 211 -44.993 1.731 19.736 1.00 34.23 o

ATOM 852 CB CYS B 211 -45.709 -1.148 20.531 1.00 31.90 c

ATOM 853 SG CYS B 211 -46.275 -0.830 22.005 1.00 39.93 s

ATOM 854 N GLN B 212 -47.210 1.993 19.364 1.00 32.26 N

ATOM 855 CA GLN B 212 -47.163 3.495 19.421 1.00 29.96 C

ATOM 856 C GLN B 212 -47.962 3.924 20.670 1.00 29.90 C

ATOM 857 or GLN B 212 -49.071 3.425 20.871 1.00 29.64 o

ATOM 858 CB GLN B 212 -47.685 4.114 18.097 1.00 30.50 C

ATOM 859 CG GLN B 212 -47.790 5.693 18.188 1.00 28.88 C

ATOM 860 CD GLN B 212 -48.285 6.365 17.002 1.00 27.73 c

ATOM 861 NE2 GLN B 212 -48.171 7.747 16.998 1.00 30.58 N

ATOM 862 OEl GLN B 212 -48.697 5.740 16.033 1.00 22.49 o

ATOM 863 N PHE B 213 -47.361 4.670 21.627 1.00 28.21 N

ATOM 864 CA PHE B 213 -48.134 5.172 22.739 1.00 27.98 C

ATOM 865 C PHE B 213 -48.621 6.584 22.453 1.00 29.89 C

ATOM 866 or PHE B 213 -48.240 7.176 21.457 1.00 29.90 o

ATOM 867 CB PHE B 213 -47.375 5.078 24.061 1.00 29.39 C

ATOM 868 CG PHE B 213 -47.020 3.641 24.459 1.00 30.05 C

ATOM 869 CD1 PHE B 213 -47.846 2.909 25.299 1.00 29.82 C ATOM 870 CD2 PHE B 213 -45 943 3.013 23.885 1 00 29.64 C

ATOM 871 CE1 PHE B 213 -47 520 1.544 25 .657 1 00 28 40 C

ATOM 872 CE2 PHE B 213 -45 596 1.667 24 .219 1 00 27 26 C

ATOM 873 CZ PHE B 213 -46 399 0.970 25 .116 1 00 30 48 C

ATOM 874 N TYR B 214 -49 528 7.100 23 .267 1 00 29 82 N

ATOM 875 CA TYR B 214 -50 137 8.339 22 981 1 00 31 34 C

ATOM 876 C TYR B 214 -50 758 8.824 24 307 1 00 33 70 c

ATOM 877 or TYR B 214 -51.298 8.018 25.074 ] L.00 33.58 0

ATOM 878 CB TYR B 214 -51 174 8.149 21 906 1 00 32 10 c

ATOM 879 CG TYR B 214 -52 167 9.282 21 660 1 00 28 09 c

ATOM 880 CD1 TYR B 214 -52. 020 10.135 20 591 1. 00 28 30 c

ATOM 881 CD2 TYR B 214 -53. 222 9.482 22 508 1. 00 30 55 c

ATOM 882 CE1 TYR B 214 -52. 979 11.122 20 326 1. 00 28 87 c

ATOM 883 CE2 TYR B 214 -54. 202 10.466 22 282 1. 00 27 82 c

ATOM 884 CZ TYR B 214 -54. 068 11.286 21 194 1. 00 30 70 c

ATOM 885 OH TYR B 214 -55. 039 12.240 20 977 1. 00 31. 00 o

TER 886 TYR B 214

ATOM 887 N TYR B 225 -49. 586 -2.510 16 143 1. 00 29. 26 N

ATOM 888 CA TYR B 225 -49. 741 -2.943 14 762 1. 00 29. 13 c

ATOM 889 C TYR B 225 -48. 926 -4.252 14 515 1. 00 29. 84 c

ATOM 890 or TYR B 225 -47 .737 -4.265 14.719 1 .00 2£ .41 o

ATOM 891 CB TYR B 225 -49. 194 -1.910 13. 830 1. 00 28. 97 c

ATOM 892 CG TYR B 225 -49. 267 -2.288 12. 404 1. 00 29. 17 c TOM 893 CD1 TYR B 225 -48. 310 -3.117 11. 806 1. 00 39. 67 c

ATOM 894 CD2 TYR B 225 -50. 266 -1.871 11. 647 1. 00 29. 92 c

ATOM 895 CE1 TYR B 225 -48. 408 -3.485 10. 409 1. 00 34. 67 c

ATOM 896 CE2 TYR B 225 -50. 359 -2.196 10. 270 1. 00 33. 70 c

ATOM 897 CZ TYR B 225 -49. 460 -3.026 9. 661 1. 00 33. 45 c

ATOM 898 OH TYR B 225 -49. 600 -3.295 8. 287 1. 00 28. 94 o

TER 899 TYR B 225

ATOM 900 N ARG B 227 -47. 802 -7.199 11. 761 1. 00 25. 36 N

ATOM 901 CA ARG B 227 -47. 862 -7.530 10. 406 1. 00 24. 47 c

ATOM 902 C ARG B 227 -48. 713 -8.811 10. 052 1. 00 23. 09 c

ATOM 903 or ARG B 227 -49 .085 -9.053 ΐ .853 1 .00 21 .64 o

ATOM 904 CB ARG B 227 -46. 452 -7.653 9. 827 1. 00 25. 57 c

ATOM 905 CG ARG B 227 -45. 611 -8.743 10. 484 1. 00 28. 78 c

ATOM 906 CD ARG B 227 -44. 273 -8.953 9. 722 1. 00 29. 69 c

ATOM 907 NE ARG B 227 -43. 705 - 10.232 10. 161 1. 00 33. 88 N

ATOM 908 CZ ARG B 227 -42. 420 - 10.417 10. 396 1. 00 36. 14 c

ATOM 909 NHl ARG B 227 -41. 991 - 11.602 10. 806 1. 00 37. 59 N

ATOM 910 NH2 ARG B 227 -41. 571 -9.411 10. 243 1. 00 30. 91 N TER 911 ARG B 227

ATOM 912 N ILE B 249 -46.779 1.038 32.275 1.00 37.11 N

ATOM 913 CA ILE B 249 -46.235 2.334 31.836 1.00 37.27 C

ATOM 914 C ILE B 249 -47.079 3.477 32.371 1.00 39.43 C

ATOM 915 or ILE B 249 -46.508 4.428 32.900 1.00 40.55 O

ATOM 916 CB ILE B 249 -46.002 2.379 30.340 1.00 35.89 C

ATOM 917 CGI ILE B 249 -44.950 1.355 29.961 1.00 28.74 C

ATOM 918 CG2 ILE B 249 -45.546 3.852 29.816 1.00 37.06 C

ATOM 919 CD1 ILE B 249 -44.777 1.266 28.390 1.00 22.54 C

TER 920 ILE B 249

Claims

1. A computer-based method for the identification of a potential ligand for human TS or bacterial TS, said ligand being capable of binding to at least one amino acid in a binding site located in the dimerization interface region of TS, comprising the steps of:

a) providing a three-dimensional structure of TS as defined by the atomic coordinates of Table 2, and/or selected coordinates thereof given in Table 4 and/or Table 5, optionally varied by a root mean square deviation of not more than 1.5 A;

b) providing a potential ligand to be fitted to said three- dimensional structure, and/or selected coordinates thereof; and

c) fitting said ligand to said TS structures.

2. The method according to claim 1, wherein said binding site located in the dimerization interface region of TS is defined by the selected atomic coordinates shown in Table 5, optionally varied by a root mean square deviation of not more than 1.5 A.

3. The method according to claims 1 or 2, wherein said binding site spans the cleft located at the interface of the two ht-HTS subunits defined by the loops 149-172 e 183-204 of both A and B subunits.

4. The method according to claim 3, wherein said cleft comprises Cysl92 and it is close to the catalytic Cys207.

5. The method according to any of claims 1 to 4, wherein a plurality of molecular fragments are combined and said fragments are assembled into a single molecule to form a ligand.

6. The method according to any of claims 1 to 5, further comprising the steps of:

d) obtaining or synthesizing said ligand; and

e) contacting said ligand with a TS protein, optionally complexed with a ligand, to determine the ability of said ligand to interact with TS protein.

7. The method of claim 6, wherein step e) comprises forming a complex of TS protein with the ligand to be tested and analyzing the complex thus formed with X-ray crystallography to determine the ability of said ligand to interact with TS protein .

8. The method of claim 7, further comprising the step of modifying the ligand so as to alter the interaction between said ligand and TS protein.

9. The method according to any of claims 1 to 5, further comprising the steps of:

d) obtaining or synthesizing said ligand; and

e) contacting said ligand with an isolated cancer cell and determining the ability of said ligand to inhibit tumour growth .

10. The method according to claim 9, wherein step e) comprises contacting said ligand with an isolated cancer cell and determining the ability of said ligand to restore the sensitivity of said cancer cell to known antitumour drugs.

11. A method of evaluating the ability of a potential ligand of human TS or bacterial TS to bind to at least one amino acid in a binding site located in the dimer interface region of TS, comprising the steps of:

a) obtaining or synthesizing said potential ligand;

b) soaking a crystal of human TS or bacterial TS in a solution of said potential ligand in order to obtain a crystal of TS complexed with said potential ligand; c) determining the three-dimensional structure of the crystal of TS complexed with said ligand by X-ray crystallography; and

d) analyzing said TS-ligand complex by X-ray crystallography, using the coordinates of Table 2, or the selected coordinates thereof shown in Table 4 and/or Table 5 , optionally varied by a root mean square deviation of not more than 1 . 5 A, to determine the ability of said ligand to interact with TS protein.

12 . The method according to claim 11 , wherein step b) comprises back-soaking said potential ligand with a crystal of the complex of said human TS or bacterial TS with a ligand wherein said ligand is bound to the binding site located in the dimerization interface region of TS, in order to form a complex between the TS and said potential ligand.

13 . The method according to claim 11 or 12 , wherein the potential ligand possesses antitumour activity.

14 . A process for producing a medicament, pharmaceutical composition or drug, said process comprising the steps of: a) identifying a ligand according to the method according to any of claims 1 to 13 ; and

b) preparing a medicament, pharmaceutical composition or drug containing the ligand.

15 . The process according to claim 14 further comprising a step al) of optimizing the structure of the ligand.

16 . A crystal structure of human TS complexed with a ligand that binds to at least one amino acid in a binding site located in the dimerization interface region of TS.

17 . The crystal structure according to claim 16 , wherein said ligand is the peptide of SEQ ID NO: 1 .

18 . The crystal structure according to claim 16 or 17 , having a space group P3i and unit cell dimensions:

a = b = 96 . 20 A, c = 82 . 47 A, α = β = 90 ° , γ = 120 ° ,

said unit cell dimensions being subject to a variability of 5% .

19 . The crystal structure according to claim 17 having the atomic coordinates shown in Table 2 , optionally varied by a root mean square deviation of not more than 1 . 5 A.

20 . A crystal structure of a binding site for a ligand of TS protein, said binding site being located in the dimerization interface region of TS and having the atomic coordinates shown in Table 5.