METHOD OF SCREENING FOR INHIBITORS OF ALZHEIMER'S DISEASE
FIELD OF THE INVENTION
This invention relates to compounds which have the ability to act as agonists for the binding of copper ions to amyloid precursor protein, and to methods of identifying such compounds.
BACKGROUND OF THE INVENTION
All references, including any patents or patent applications, cited in this specification are hereby incorporated by reference. No admission is made that any reference constitutes prior art. The discussion of the references states what their authors assert, and the applicants reserve the right to challenge the accuracy and pertinency of the cited documents. It will be clearly understood that, although a number of prior art publications are referred to herein, this reference does not constitute an admission that any of these documents forms part of the common general knowledge in the art, in Australia or in any other country.
Alzheimer's disease is characterised by the presence of distinctive lesions in the patient's brain. These brain lesions include abnormal intracellular filaments, called neurofibrillary tangles, and extracellular deposits of amyloid in senile, or amyloid, plaques. Amyloid deposits are also present in the walls of cerebral blood vessels of Alzheimer's patients. The major constituent of amyloid plaques has been identified as a 4 kilodalton peptide [39-43 residues] called β-amyloid peptide [Aβ] [Glenner and Wong, 1984] . Diffuse deposits of Aβ peptides are frequently observed in normal adult brains, whereas Alzheimer's disease brain tissue is characterised by more compacted, dense-core β-amyloid plaques. These observations suggest that Aβ deposition precedes, and contributes to, the destruction of neurons which occurs in Alzheimer's disease. In further support of a direct pathogenic role for Aβ, β-amyloid has been shown to be toxic to mature neurons, both in culture and in vivo [Yanker, 1996] .
Natural Aβ is derived from proteolysis from a much longer protein, known as the amyloid precursor protein [APP] [Kang et al . , 1987] . The APP gene maps to chromosome 21, and it is thought that this explains the β- amyloid deposition which is seen at an early age in individuals with Down's syndrome, which is caused by trisomy of chromosome 21; the pattern of deposition of β- amyloid in Down's syndrome is similar to that seen in Alzheimer's disease. However, the physiological function of APP has not yet been established.
There are three main isoforms of APP, which respectively contain 695, 751 and 770 amino acids [Hardy, 1997] . These forms are generally referred to as APP695, APP751 and APP770 respectively. APP undergoes consecutive proteolytic degradation by β-secretase and γ-secretase, forming Aβ. In contrast, APP degradation within the Aβ domain by α-secretase prevents the formation of amyloid, and results in the release of the p3 peptide, consisting of Aβ residues 17 to 40 or 17 to 42. Degradation of APP by α-secretase or β-secretase results in soluble APP fragments, referred to as sAPPα and sAPPβ, which represent the APP ectodomains which are released into the extracellular space. This degradation is frequently referred to as "APP processing" .
The Aβ peptides then undergo aggregation to produce the toxic β-sheet structures found in extracellular deposits in Alzheimer's disease and Down's syndrome.
Recent data suggest that the aggregated peptide has redox properties and can generate reactive oxygen species, which attack enzymes and possibly cell membranes, causing neurotoxicity [Bush, 2000] . APP expression modulates copper homeostasis, since APP-/- mice have elevated copper levels in the liver and cerebral cortex when compared to APP+/+ mice [White et al . , 1999b]. In addition, elevated copper concentrations reduce Aβ production and increase secretion of APP in a cell-line transfected with human APP cDNA [Borchardt et al . , 1999]. This effect is modified by zinc, or by zinc and copper chelators [Borchardt et al . , 2000] . Therefore APP has an important role in modulating cellular copper metabolism in certain tissues, including the brain. Moreover, neurons expressing wild-type APP [APP+/+] are significantly more sensitive to copper toxicity than are APP-deficient neurons [APP-/-] [White et al, . 1999a] , and interaction of APP-Cu[I] species with hydrogen peroxide can result in Cu[I] oxidation to Cu[II] and APP fragmentation [Multhaup et al . , 1998]. Therefore alterations to APP and/or copper metabolism, such as those found in Alzheimer's disease, could potentially result in increased APP-Cu [I] -mediated generation of reactive oxygen intermediates and increased oxidative stress, as well as altered APP processing to Aβ [Borchardt et al . , 1999; Cherny et al . , 1999] . However, copper neurotoxicity mediated by full length APP has not hitherto been directly demonstrated in vivo or in vi tro.
Although the fundamental pathology, genetic susceptibility and biology associated with AD are becoming clearer, a rational chemical and structural basis for developing effective drugs to prevent or cure the disease remains elusive. While the genetics of Alzheimer's disease indicate that the metabolism of A/3 is intimately associated with the pathogenesis of the disease as indicated above, drugs for the treatment of Alzheimer's disease have so far focused on "cognition enhancers", which do not address the underlying disease processes. These drugs have met with only limited success. Thus there is a need in the art for additional agents for treatment of Alzheimer's disease. International Patent Application No. PCT/AU92/00610 by The University of Melbourne shows that chelating agents which have the ability to bind di- or trivalent metal ions such as Cu2+, Zn2+ or Fe3+ are able to dissolve amyloid deposits from brains of patients with Alzheimer's disease. The inventors proposed the hypothesis that large metal ions were required in order to induce aggregation of Aβ into amyloid fibrils. These findings have also been used as the basis for assays for candidate pharmaceutical agents for the achievement of Alzheimer's disease; see for example International patent application No. PCT/US94/11928, PCT/US98/04683 , US patent application No. 09/224953, and PCT/US99/05291, all by The General Hospital Corporation, which show that this hypothesis, and related hypotheses regarding the role of reactive oxygen species, has enabled the identification of a number of candidate therapeutic agents. In addition, International patent application No. PCT/US94/11895 by The General Hospital Corporation discloses a diagnostic assay for Alzheimer's disease which is based on the same hypothesis.
Agents which interact with the APP and limit the production of the Aβ peptide are therefore particularly desirable. In vi tro studies have shown that the interaction between Cu and APP can cause APP fragmentation and decreased APP processing into Aβ . The binding of divalent copper leads to the oxidation of two cysteine residues of APP, and in turn to formation of an additional disulphide bond [Multhaup et al . , 1998; Borchardt et al . , 1999] . An understanding of the molecular interaction between Cu and the APP is required for the rational development of agonists capable of limiting the production of the Aβ peptide. Such agonists may have the additional potential to protect cells from damage by blocking Cu[II] binding of APP and thus preventing the formation of reactive axygen species produced by Cu[II] and hydrogen peroxide [Borchardt et al . , 1999]. International patent application No. PCT/DE00/00693 by Beyreuther et al . [WO00/51632] shows that APP interacts with divalent zinc and copper ions at two specific sites. They also showed that copper stimulates increased release of the products of the α-secretory metabolic pathway of APP, sAPPα and p3 , and reduced release of the products of the β-secretory metabolic pathway, p3.5 and Aβ . Beyreuther et al . therefore proposed that compounds which act as copper agonists could reduce or prevent the formation of Aβ, and therefore would be useful for treatment or prevention of Alzheimer's disease. However, although functional methods of identifying compounds which could be effective for this purpose are described, there is no information provided regarding the structure of the copper-binding site, and therefore this application provides no rational basis for selecting candidate compounds for testing in the functional assays. The present inventors have now determined the three- dimensional solution structure of the copper-binding domain of APP. Knowledge of the structure of this binding domain provides a basis for the rational identification of compounds which bind to APP and interfere with amyloidogenic processing of APP. It is envisaged that compounds which mimic the effect of, promote or stabilise the binding of copper to the APP will decrease the processing of APP into Aβ, and will reduce the associated APP-Cu [I] -mediated generation of residue oxygen intermediates and will therefore be useful as therapeutic agents .
SUMMARY OF THE INVENTION
In a first aspect the invention provides a method of identifying a compound which is capable of acting as an agonist of binding of divalent copper ions to APP, comprising the step of identifying a compound which has a conformation and polarity such that it interacts with an amino acid residue in APP selected from the group consisting of: a] Hisl47, Hisl51, Tyrl68 and Metl70; b] Leul36, Glnl38, Glul39, Argl40, Met1 1, Vall43, Glul45, Hisl49, Trpl50, Vall53, Alal54, Thrl57, ArglδO, lylδl, Vall82 and Phel84; and c] Hisl47, Hisl51, Tyrl68, Metl70, Alal54,
Trpl50, Lysl55, Leul65, Glyl69, Phel79, Vall82, Glul83 and Phel84.
The regions encompassing the groups of amino acid residues listed here as a] , b] and c] are referred to herein as the first, second and third copper-binding sites respectively. Collectively these regions form part of the copper-binding domain of APP. Without wishing to be limited by any proposed mechanism, we believe that region [a] is the principal site to which copper atoms bind. Preferably a compound identified by this step is then subjected to in vi tro and/or in vivo testing for ability to act as an agonist of binding of divalent copper to APP, and for the ability to inhibit the production of Aβ from APP. Preferably the compound has the ability to interact with the copper-binding domain of APP in such a way that the extent of processing of APP to Aβ or to Aβ-containing fragments in the presence of the compound is reduced, compared to that of APP in the absence of the compound. Preferably the compound binds to at least two, more preferably at least three, and even more preferably four of the amino acids identified above .
Even more preferably the compound has the ability to penetrate the blood-brain barrier. It will be clearly understood that the term
"identifying" encompasses either designing a new compound, or selecting a compound from a group or library of previously known compounds .
The term "agonist" refers to: a] a compound which has a conformation and polarity such that the compound itself binds to the copper-binding site of APP; b] a compound which has a conformation and polarity such that the compound binds to the copper-binding domain of APP at a site other than the copper-binding site, and this enhances or stabilises the binding of copper ions to the copper-binding site; or c] a compound which has a conformation and polarity such that the compound binds to APP at a site other than the copper-binding site, in which the binding has no effect on copper binding but induces an effect the same as or similar to one which is induced by binding of copper to the copper-binding site.
It will be appreciated that a compound may have more than one of these abilities.
Preferably when the compound has the effect of stabilising binding of copper to the copper-binding domain, the compound stabilises the oxidation state of the copper, thus inhibiting production of toxic Cu[I] ions.
The expression "an effect the same as or similar to one which is induced by binding of copper to the copper- binding site" is to be understood to include effects such as reducing the production of Aβ from APP or induction of dimerization of APP. The skilled person will be aware of suitable techniques for determining whether a compound has one or more such effects. In one preferred embodiment, the compound interacts directly with the copper-binding site, ie. with one or more amino acids selected from the group consisting of Hisl47, Hisl51, Tyrl68 and Metl70.
It is contemplated that in this embodiment the compound will be a metal complex which can bind to the imidazole moiety of a histidine residue.
Metal ions capable of binding to the imidazole nitrogen [s] of histidine include Mn, Fe, Co, Ni, Cu, Zn, Ru, Pd, Ag, Cd, Pt, Au, Rh and Hg . Complexes of these metals would be expected to be predominantly four- coordinate tetrahedral or distorted tetrahedral/square planar complexes, five-coordinate complexes with either a trigonal bipyramid or square pyramid configuration, or six-coordinate octahedral or distorted octahedral complexes .
In a second aspect the invention provides a computer-assisted method for identifying compounds potentially able to bind to the copper-binding domain of the APP and decrease the processing of the APP into Aβ or Aβ containing fragments, using a programmed computer comprising the steps of: [a] inputting into the programmed computer data comprising the atomic coordinates of the APP copper- binding domain, as shown in Appendix A, corresponding to the binding site defined by amino acid residues
[i] Hisl47, Hisl51 and Tyrl68 and Metl70 [ii] Leul36, Glnl38, Glul39, Argl40, Metl41,
Vall43, Glul45, Hisl49, Trpl50, Vall53, Alal54, Thrl57, Argl80, Glylδl, Vall82 and Phel84, or
[iii] Hisl47, Hisl51, Tyrl68, Metl70, Alal54, Trpl50, Lysl55, Leul65, Glyl69, Phel79, Vall82, Glul83 and Phel84 or a subset thereof;
[b] generating, using computer methods, a set of atomic coordinates of a structure that possesses stereochemical complementarity to the atomic coordinates defined in [a] or a subset thereof, thereby generating a criteria data set;
[c] comparing, using the processor, the criteria data set to a computer database of chemical structures,-
[d] selecting from the database, using computer methods, chemical structures which are similar to a portion of said criteria data set; and
[e] outputting the selected chemical structures which are similar to a portion of the criteria data set .
Preferably the method further comprises the step of obtaining a compound with a chemical structure selected in steps [d] and [e] , and testing the compound for the - in ability to decrease processing of the APP into Aβ or Aβ- containing fragments .
In a third aspect the invention provides a computer or a software component thereof for producing a three- dimensional representation of a molecule or molecular complex, which comprises a three-dimensional representation of a homologue of the molecule or molecular complex, in which the homologue comprises a domain that has a root mean square deviation from the backbone atoms of the amino acids of not more than 1.5A, in which the computer comprises:
[a] a machine-readable data storage medium comprising a data storage material encoded with machine- readable data, wherein the data comprises the structure coordinates, as shown in Appendix A, of:
[i] Hisl47, Hisl51 and Tyrl68 and Metl70 [ii] Leul36, Glnl38, Glul39, Argl40, Metl41, Vall43, Glul45, Hisl49, Trpl50, Vall53, Alal54, Thrl57, Argl80, Glyl81, Vall82 and Phel84, or [ϋi] Hisl47, Hisl51, Tyrl68, Metl70, Alal54,
Trpl50, Lysl55, Leul65, Glyl69, Phel79, Vall82, Glul83 and Phel84;
[b] a working memory for storing instructions for processing the machine-readable data; [c] a central-processing unit coupled to the working memory and to the machine-readable data storage medium for processing the machine-readable data into the three-dimensional representation ; and
[d] a display coupled to the central-processing unit for displaying the three-dimensional representation. In one class of embodiments, the three-dimensional representation is of a molecule or molecular complex defined by the set of structure coordinates set out in Appendix A, or wherein the three-dimensional representation is of a homologue of the molecule or molecular complex, the homologue having a root mean square deviation from the backbone atoms of the amino acids of not more than 1.5A.
An additional aspect of the invention provides a computer or a software component thereof for determining at least a portion of the structure coordinates corresponding to a three-dimensional structure of a molecule or molecular complex, in which the computer comprises :
[a] a machine-readable data storage medium comprising a data storage material encoded with machine- readable data, in which the data comprises at least a portion of the structural coordinates according to Appendix A;
[b] a machine-readable data storage medium comprising a data storage material encoded with machine- readable data, wherein the data comprise NMR spectral data of the molecule or molecular complex;
[c] a working memory for storing instructions for processing the machine-readable data of [a] and [b] ; [d] a central-processing unit coupled to the working memory and to the machine-readable data storage medium of [a] and [b] for performing a transformation of the machine readable data of [a] and for processing the machine-readable data of [b] into structure coordinates; and
[e] a display coupled to the central-processing unit for displaying the structure coordinates of the molecule or molecular complex.
In a fourth aspect the invention provides a compound able to act as an agonist of the binding of copper to the copper-binding domain of APP, wherein the compound is identified by a method according to the invention.
It will be clearly understood that pharmaceutically acceptable salts, derivatives and esters of these compounds are also within the scope of the invention. In a fifth aspect the invention provides a composition comprising a compound according to the invention, together with a pharmaceutically-acceptable carrier. It will be appreciated that the composition may comprise two or more compounds according to the invention. In a sixth aspect the invention provides a method of reducing the processing of the APP into Aβ or
Aβ-containing fragments, comprising the step of exposing the APP to a compound which acts as an agonist for the binding of divalent copper to the copper-binding domain of APP. In a seventh aspect the invention provides a method of reducing the amyloidogenic processing of APP, comprising the steps of exposing APP to a compound which acts as an agonist of the binding of divalent copper to the copper-binding domain of APP. In an eighth aspect the invention provides a method of treating Alzheimer's disease or other amyloid-related condition, the method comprising administering to a subject in need thereof a composition according to the invention. In one preferred embodiment of the invention, the compound is conjugated to a targeting moiety.
The term "targeting moiety" as used herein refers to a functional group which is covalently linked to a targeting moiety which will specifically bind to or associate with the APP. Suitable targeting moieties include, but are not limited to, polypeptides, nucleic acids, carbohydrates, lipids, APP ligands, antibodies and the like. In a preferred embodiment the targeting moiety has a hydrophobic region which interacts with the APP. For example, the targeting moiety may include a fatty acid molecule.
In a particularly preferred embodiment, the ligand- targeting moiety complex is able to pass through the blood-brain barrier. Preferably in each of the fourth to eighth aspects the compound has a conformation and polarity such that it binds to at least one, preferably at least two, more preferably at least three, and most preferably four amino acid residues in APP selected from the group consisting of: a] Hisl47, Hisl51 and Tyrl68 and Metl70; b] Leul36, Glnl38, Glul39, Argl40, Metl41,
Vall43, Glul45, Hisl49, Trpl50, Vall53, Alal54, Thrl57, Argl80, Glylδl, Vall82 and Phel84; and c] Hisl47, Hisl51, Tyrl68, Metl70, Alal54, Trpl50, Lysl55, Leul65, Glyl69, Phel79, Vall82, Glul83 and Phel84.
It is preferred that the compound has a high affinity for the selected target site. For in silico screening using computer modelling systems, the affinity constant is preferably < ImM, more preferably < InM. For in vi tro binding as assessed by NMR, the affinity constant is preferably < InM.
The compounds of the invention may be formulated into pharmaceutical compositions, and administered in therapeutically effective doses. By "therapeutically effective dose" is meant a dose which results in the inhibition of the processing of APP into Aβ or Aβ—containing fragments. The appropriate dose will be ascertainable by one skilled in the art using known techniques . The pharmaceutical compositions may be administered in a number of ways, including, but not limited to, orally, subcutaneously, intravenously, intraperitoneally and intranasally.
The dosage to be used will depend on the nature and severity of the condition to be treated, and will be at the discretion of the attending physician or veterinarian. The most suitable dosage for a specific condition can be determined using normal clinical trial procedures . While it is particularly contemplated that the compounds of the invention are suitable for use in medical treatment of humans, they are also applicable to veterinary treatment, including treatment of companion animals such as dogs and cats, and domestic animals such as horses, cattle and sheep, or zoo animals such as felids, canids, bovids, and ungulates. Methods and pharmaceutical carriers for preparation of pharmaceutical compositions are well known in the art, as set out in textbooks such as Remington's Pharmaceutical Sciences, 19th Edition, Mack Publishing Company, Easton, Pennsylvania, USA. The compounds and compositions of the invention may be administered by any suitable route, and the person skilled in the art will readily be able to determine the most suitable route and dose for the condition to be treated. Dosage will be at the discretion of the attendant physician or veterinarian, and will depend on the nature and state of the condition to be treated, the age and general state of health of the subject to be treated, the route of administration, and any previous treatment which may have been administered. The carrier or diluent, and other excipients, will depend on the route of administration, and again the person skilled in the art will readily be able to determine the most suitable formulation for each particular case. Amyloid deposition has also been implicated in the pathogenesis of the neurodegenerative disease, such as Parkinson's disease, amyotrophic lateral sclerosis, and cataract. Thus, while the invention is described in detail in relation to Alzheimer's disease, it is also applicable to amyotrophic lateral sclerosis, motoneuron disease, cataract, Parkinson's disease, Creutzfeldt-Jacob disease, Hungington' s disease, dementia with Lewy body formation, multiple system atrophy, Hallerboden-Spatz disease, and diffuse Lewy body disease, or cataracts. Throughout this specification the word "comprise", or variations such as "comprises" or "comprising", will be understood to imply the inclusion of a stated element, integer or step, or group of elements, integers or steps, but not the exclusion of any other element, integer or step, or group of elements, integers or steps.
BRIEF DESCRIPTION OF THE FIGURES
Figure 1 is a schematic representation of APP, showing important regions of the molecule. The N-terminal growth factor domain is followed by the copper-binding domain [CuBD] , an acidic region, Kunitz-type protease inhibitor and Ox-2 domains which occur in some APP isoforms, a series of domains known to bind carbohydrate, a transmembrane [TM] region, and a cytoplasmic tail . The location of the Aβ region, a major component of Alzheimer's disease plaques, is also shown. The sequence of the CuBD is shown, with the copper-binding amino acid residues in large bold type, and the cysteine residues which are involved in disulphide bridges shown in underlined bold type.
Figure 2 shows the solution structure of APP124-189. a. Stereoview of the backbone [N, Cα, C] traces of the 21 lowest energy structures for APP124-189 superimposed over backbone atoms [N, Cα, C] of residues 128-189. b. A ribbon depiction of the NMR structure closest to the geometric average of APP124-189. c. Surface characterization of APP124-189. Electrostatic molecular surface rendering of the NMR structure closest to the geometric average of APP124-189. Surfaces are shaded to indicate electrostatic charge, with regions with electrostatic potential +8 kβ dark grey [kβ, Boltzmann constant, T, absolute temperature] .
Figure 3 shows NMR spectra of APP124-189, illustrating the effects of addition of metal ions. a. The top spectrum is a 600 MHz XH spectrum of unlabelled APP124-189; the bottom spectrum is after the addition of Zn2+. Peaks due to the S-methyl Hε of Met170, Hδ2 of HislΞl and the Hδl and Hεl of Tyrl68 that are visible in the top spectrum disappear from the bottom spectrum upon the addition of Zn2+ have been labelled. b. [XK, 15N] HSQC spectra of 15N-labeled APP124-189 before [spectrum on the left] and after [spectrum on the right] the addition of one equivalent of Cu2+. c. Changes in the [1H, 1ΞN] HSQC spectrum upon addition of Cu2+ are mapped on to the surface of APP124- 189, unaffected residues are shown in dark grey, while those residues whose backbone amides were perturbed by the presence of Cu2+ are shown in light grey. d. A region of the [XH, 13C] HSQC spectra of 15N, 13C-labeled APP124-189 where the S-methyl Hε and Cε resonances of the methionine residues are visible. The top spectrum shows the S-methyl Hε and Cε resonances of
141 on the left and 170 on the right. The middle spectrum shows that the effect of adding one equivalent of Cu2+is the disappearance of the peak due to Metl70. The bottom spectrum shows that a new peak is visible in the region of the [1H, 13C] spectrum associated with the S-methyl of methionine, after APP124-189 has incubated with Cu2+ for 48 hours .
Figure 4 shows orthogonal views of the putative metal binding site, residues Hisl47, Hisl51, Tyrl68 and Metl70. These views show that the orientation of the residues is such that the configuration around any metal bound in this site is tetrahedral, and that the binding site is a surface exposed site.
Figure 5 shows a model of a metal ion in a tetrahedral configuration bound to Hisl47, Hisl51, Tyrl68 and Metl70 of APP124-189.
Figure 6 shows docking of [2 , 5-dimethyl-phenyl] - carbamic acid napthalen-2-yl ester [Compound 42613] to the principal copper-binding site of APP, encompassing residues Hisl47, Hisl51, Tyrlδδ and Metl70, as demonstrated in an in silico modelling system. Figure 7 shows docking of 3- [4-Iodo-phenyl] -1- phenyl-imidazo [l-5-a]pyridine [Compound 21056] to the secondary copper-binding site of APP which is located at the back the copper-binding domain and encompasses the residues listed in [b] above, as demonstrated in an in silico modelling system.
DETAILED DESCRIPTION OF THE INVENTION
The general structure of APP is illustrated schematically in Figure 1, which shows the important regions of the molecule . It can be seen that the copper- binding domain is near the N-terminal of the molecule, whereas the region which gives rise to Aβ is close to the C-terminal. The sequence APP124-189 from the copper- binding domain was selected by analysis of the crystal structure of the growth factor domain and sequencing of the C-terminal region.
The derivation of the CuBD construct, APP124-189, was based upon our previous work, in which we solved the structure of APP28-123 [Rossjohn et al . , 1999]. Those studies defined the C-terminal end of the first APP domain, also called the growth factor domain, as residue 123. Therefore the start of the second domain, CuBD, commenced at residue 124. The C-terminal end of the CuBD was chosen as residue 189. This corresponded to the end of the putative zinc binding site [Bush et al . , 1993].
APP133-189 corresponds to a truncated version of the CuBD. Based on our copper-binding studies using NMR, the free N-terminus was involved in artefactual copper- binding. This free N-terminus is not present in physiologically expressed APP. To remove the influence of this artefactual Cu binding site, APP133-189 was generated. Furthermore, residues 124-132 were predominantly unstructured and this may have prevented crystal formation; in fact we have 'found that APP133-189 readily forms crystals as a result of removal of these residues. The APP133-189 will be valuable for future crystallisation structure studies.
Previous studies by Multhaup and colleagues proposed that the reduction of Cu[II] by the CuBD results in the formation of an intramolecular disulphide bond between cysteines 144-158 [Multhaup et al . , 1998]. The results presented herein indicate an alternative mechanism, whereby the reduction of Cu[II] to Cu[I] does not require the formation of an intramolecular disulphide bond between cysteines 144-158. We have found that although the
APP124-189 protein has no free cysteines, it is able to reduce Cu[II] to Cu[I] . Our structure proposes that methionine is a suitable substrate to be oxidised in order for Cu[II] to be reduced. The NMR structure reported here for the first time has properly defined the copper-binding site beyond the histidine residues at 147, 149 and 151 proposed by Multhaup and colleagues [see below] .
In vi tro studies have shown that the interaction between Cu and APP can cause APP fragmentation and decreased APP processing into Aβ . In order to define the interaction between copper and the APP at the molecular level , the inventors have solved the NMR structure of the APP copper-binding domain [APP residues 124-189] . The coordinates for this structure are provided in Appendix A. The primary observation was that the binding of copper to the copper-binding site of APP, which leads to processing of APP to Aβ, occurs at a site near the surface of the molecule. Modulation of this binding could occur via three possible mechanisms. Firstly, an agonist molecule could exert its action via direct binding to the copper-binding site; alternatively, the agonist could bind to a "secondary shell" , which in turn perturbs the copper- binding domain. A third alternative is that the agonist binds to a separate site more distantly located on the APP molecule.
The three-dimensional structure of APP124-189 has three disulfide bonds, and consists of an α-helix overlying a triple-stranded β-sheet. The surface is highly charged, with several areas of high negative and positive potential . On the surface of the molecule there are two basic patches but no extensive hydrophobic area. The metal-binding properties of APP124-189 to Zn[Gly]2 2+, Ni[Gly]2 2+ and Cu [Gly] 2 2+ showed resonance changes in Hisl47, Hisl51 and Tyrl68. The side-chains of these residues, together with Met170, are orientated so that they form a favourable metal binding site. Very small movements in their side-chains are required for metal binding to occur in a tetrahedral fashion. No previous examples of coordination spheres incorporating both methionine and tyrosine could be identified in the literature, indicating that the APP CuBD utilizes a novel Cu-binding site.
This information provides a rational basis for the development of compounds which mimic Cu2+, ie . which inhibit processing of the APP into Aβ or Aβ-containing fragments. Accordingly, these compounds are likely to have therapeutic value in the treatment of diseases such as Alzheimer's disease.
The general principles of drug design, which are discussed below, can be applied by persons skilled in the art to produce compounds which preferably bind to the copper-binding site defined by the Hisl47, Hisl51 and Tyrl68 and Metl70 residues of the APP and inhibit the processing of APP into the Aβ peptide.
The inventors have also identified two additional regions on the copper-binding domain of the APP, which are thought to be involved in interactions which enhance or stabilise the binding of copper to the copper-binding site.
The first of these regions, region [b] , is located on the back of the copper-binding domain of APP ie. on the opposite side to the copper-binding site, and encompasses residues Leul36, Glnl38, Glul39, Argl40, Metl41, Vall43, Glul45, Hisl49, Trpl50, Vall53 , Alal54, Thrl57, Argl80, Glylδl, Vall82 and Phel84.
The second of these regions, region [c] , is located on the same side of APP as the copper-binding site, and encompasses residues Hisl47, Hisl51, Tyrl6δ, Met170,
Alal54, Trpl50, Lysl55, Leul65, Glyl69, Phel79, Vallδ2,
Glul83 and Phelδ4.
It is envisaged that the binding of ligands to these regions may enhance, stabilise or mimic the binding of copper to the copper-binding site of APP, thereby reducing amyloidogenic processing of APP.
The preferential binding of ligands to the copper- binding site or other sites on the copper-binding domain of APP, preferably with an affinity in the order of 10"8M or better, may arise from enhanced stereochemical complementarity relative to naturally-occurring ligands.
Pursuant to the present invention, such stereochemical complementarity is characteristic of a molecule which matches intra-site surface residues lining the groove of the first copper-binding site [eg. Hisl47, Hisl51 and Tyrl6δ and Met170] or other binding region identified herein. By "match" we mean that the identified portions interact with the surface residues, for example, via hydrogen bonding or by entropy-reducing van der Waals interactions which promote desolvation of the biologically active compound within the site, in such a way that retention of the biologically active compound within the groove is energetically favoured.
It will be appreciated that it is not necessary that the complementarity between ligands and the copper-binding site extend over all residues lining the groove in order to stabilise binding of the natural ligand. Accordingly, ligands which bind to some, but not all, of the residues lining the groove are encompassed by the present invention.
In general, the design of a molecule possessing stereochemical complementarity can be accomplished by means of techniques which optimize, either chemically or geometrically, the "fit" between a molecule and a target receptor. Suitable such techniques are known in the art. [See Sheridan and Venkataraghavan, 1987; Goodford 1984; Beddell 19δ5; Hoi, 1986; and Verlinde 1994, the respective contents of which are hereby incorporated by reference. See also Blundell 1987] .
Thus there are two preferred approaches to designing a molecule according to the present invention, which complements the shape of the copper-binding site. In the first of these, the geometric approach, the number of internal degrees of freedom, and the corresponding local minima in the molecular conformation space, is reduced by considering only the geometric [hard-sphere] interactions of two rigid bodies, where one body [the active site] contains "pockets" or "grooves" which form binding sites for the second body [the complementing molecule, as ligand] . The second approach entails an assessment of the interaction of different chemical groups ["probes"] with the active site at sample positions within and around the site, resulting in an array of energy values from which three-dimensional contour surfaces at selected energy levels can be generated.
The geometric approach is illustrated by Kuntz et al . [1982], the contents of which are hereby incorporated by reference, whose algorithm for ligand design is implemented in a commercial software package distributed by the Regents of the University of California and further described in a document, provided by the distributor, entitled "Overview of the DOCK Package, Version 1.0,", the contents of which are hereby incorporated by reference. Pursuant to the Kuntz algorithm, the shape of the cavity represented by the copper-binding site is defined as a series of overlapping spheres of different radii. One or more extant databases of crystallographic data, such as the Cambridge Structural Database System maintained by Cambridge University [University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, U.K.] and the Protein Data Bank maintained by Brookhaven National Laboratory [Chemistry Dept. Upton, NY 11973, U.S.A.], is then searched for molecules which approximate the shape thus defined.
Molecules identified in this way, on the basis of geometric parameters, can then be modified to satisfy criteria associated with chemical complementarity, such as hydrogen bonding, ionic interactions and van der Waals interactions.
The chemical-probe approach to ligand design is described, for example, by Goodford [1985] , the contents of which are hereby incorporated by reference, and is implemented in several commercial software packages, such as GRID [product of Molecular Discovery Ltd., West Way House, Elms Parade, Oxford 0X2 9LL, U.K.]. Pursuant to this approach, the chemical prerequisites for a site- complementing molecule are identified at the outset, by probing the copper-binding site with different chemical probes, e.g., water, a methyl group, an amine nitrogen, a carboxyl oxygen, and a hydroxyl . Favoured sites for interaction between the active site and each probe are thus determined, and from the resulting three-dimensional pattern of such sites a putative complementary molecule can be generated.
Programs suitable for searching three-dimensional databases to identify molecules bearing a desired pharmacophore include: MACCS-3D and ISIS/3D [Molecular Design Ltd., San Leandro, CA] , ChemDBS-3D [Chemical Design Ltd., Oxford, U.K.], and Sybyl/3DB Unity [Tripos Associates, St. Louis, MO].
Programs suitable for pharmacophore selection and design include: DISCO [Abbott Laboratories, Abbott Park, IL] , Catalyst [Bio-CAD Corp., Mountain View, CA] , and ChemDBS-3D [Chemical Design Ltd., Oxford, U.K.].
Databases of chemical structures are available from a number of sources including Cambridge Crystallographic Data Centre [Cambridge, U.K.] and Chemical Abstracts Service [Columbus, OH] .
De novo design programs include Ludi [Biosym Technologies Inc., San Diego, CA] , Sybyl [Tripos Associates] and Aladdin [Daylight Chemical Information Systems, Irvine, CA] .
Those skilled in the art will recognize that the design of a mimetic compound may require slight structural alteration or adjustment of a chemical structure designed or identified using the methods of the invention.
This aspect of the invention may be implemented in hardware or software, or a combination of both. However, the invention is preferably implemented in computer programs executing on programmable computers each comprising a processor, a data storage system [including volatile and non-volatile memory and/or storage elements] , at least one input device, and at least one output device. Program code is applied to input data to perform the functions described above and generate output information. The output information is applied to one or more output devices, in known fashion. The computer may be, for example, a personal computer, microcomputer, or workstation of conventional design.
Each program is preferably implemented in a high level procedural or object-oriented programming language to communicate with a computer system. However, the programs can be implemented in assembly or machine language, if desired. In any case, the language may be compiled or interpreted language. Each such computer program is preferably stored on a storage medium or device [e.g., ROM or magnetic diskette] readable by a general or special purpose programmable computer, for configuring and operating the computer when the storage media or device is read by the computer to perform the procedures described herein. The inventive system may also be considered to be implemented as a computer-readable storage medium, configured with a computer program, where the storage medium so configured causes a computer to operate in a specific and predefined manner to perform the functions described herein.
It is contemplated, without wishing to limit the invention, that a suitable compound may be a metal complex that can exchange or bind functional moieties such as histidine. Preferably the metal complex is capable of binding between 1 and 4, more preferably 3 or 4 of the amino acid residues Hisl47, Hisl51, Tyrl68 and Metl70 of the copper-binding domain of amyloid precursor protein.
Metal ions capable of binding to the imidazole nitrogen [s] of histidine include Mn, Fe, Co, Ni, Cu, Zn, Ru, Pd, Ag, Cd, Pt, Au, Rh and Hg . Complexes of these metals would be expectecd to be predominantly four coordinate tetrahedral [distorted tetrahedral] /square planar complexes, five coordinate complexes with either a trigonal bipyramid or square pyramid configuration or six coordinate octahedral [or distorted octahedral] complexes. Compounds identified by the methods of the present invention may be assessed by a number of in vi tro and in vivo assays. For example, the identification of ligands which bind to the copper-binding site may be undertaken using a solid-phase receptor binding assay. Ligands can be screened in a cell-based assay by measuring their effect on APP processing and Aβ production. Binding affinity for candidate ligands may be measured using biosensor technology.
Assays to determine the binding of metal complexes to APP may be performed by NMR and UV-Visible spectroscopy and ESR for paramagnetic metals. Assays are available for measuring Cu/Fe reduction, hydrogen peroxide generation, hydroxyl radical generation, and carbonyl generation, all of which assess the redox capacity of APP in the presence of Cu and Fe . The invention is further described below in detail with reference to the following, non-limiting examples. Exampl e 1 : Expression and purification of recombinant APP124 -189 and APP133 -189. The sequence encoding APP124-lδ9 [SEQ ID NO:l] was amplified by PCR using the primers GCT CGA GAA AA GAG AGG CTA GTG ATG CCC TTC TCG [primer 1; SEQ ID NO: 2] and GAA TTC TTA CAG TGG GCA ACA CAC AAA CTC [primer 2; SEQ ID NO: 3] . The PCR product was cloned as a Xhol-EcoRI fragment into the Pichia pastoris vector pIC9 [Invitrogen] and then transformed into P. pastoris strain GS115 as previously described [Henry et al . , 1997] . Expressing clones were identified by analysing the culture supernatants by silver stain-SDS-PAGE. APP 124-lδ9, whose structure is shown schematically in Figure 1, was expressed as a secreted protein in the yeast Pichia pastoris and purified by a two-step purification scheme to homogeneity, as judged by mass spectroscopy and N-terminal sequencing. Isotopically-labelled protein was prepared by the protocol of Laroche et al [Laroche et al . , 1994]. 15N- single labelled APP124-189 was produced using FM22 basic medium, which contains 5 g 15NH4C1 as the sole nitrogen source. A five ml overnight culture was inoculated into 400 ml growth medium [FM22 basic, 0.5%-glucose, 0.1% PTMl salts, 0.06M KOH] . After 4δ h the cells were collected by centrifugation and resuspended into induction medium [FM22 basic medium, 0.5% methanol, 0.1% PTMl salts] and shaken for 46 hr. The 13C, 15N-double labelled APP124-189 was expressed as described above, except that the induction medium was FM22 basic medium, 0.5% 13C-methanol, 0.1% PTMl salts. After 24 hr another 0.5% 13C-methanol was added, and then the culture was shaken for a further 24 hr. The cells were pelleted by centrifugation and the supernatant kept for protein purification.
APP124-189 was purified to homogeneity in two steps. The supernatant was concentrated, and the buffer was exchanged into 20 mM TRIS buffer pH 8.5 containing 5 M EDTA, and then applied to a QHyperD 1.6 x 13 cm column [Biosepra, France] , equilibrated in the same buffer. The APP124-189 protein was eluted in the column flow-through, then concentrated and then applied to a Superdex 75 HR 10/30 gel filtration column [Amersham-Pharmacia, Australia] in 20 mM sodium phosphate buffer pH 6.8 containing 1 mM EDTA. The APP124-189 eluted as a single peak with a molecular weight of ~11 kDa. N-terminal amino acid sequencing and mass spectrometery [MALDI-TOF] analysis confirmed that the N-terminus was intact, and that the mass correlated to the predicted sequence. The APP124-189 protein was concentrated by ultrafiltration to a final concentration of 5 mg/ml in 20mM phosphate pH 6.8 buffer.
APP133-189 was expressed and purified in the same way as for APP129-189.
Example 2 : NMR spectroscopy and spectral assignments . NMR spectra were acquired at 30°C using a Bruker DRX-600 spectrometer equipped with triple-resonance pulsed-field gradient probes. Sequential resonance assignments were made using a series of triple resonance spectra [Sattler et al . , 1999] acquired on either uniformly 15N- or 13C, 15N-labelled APP124-189 using the methods described by Day et al . [1999] . Spectra were obtained on samples which typically contained 0.5 mM protein in 50 mM phosphate buffer [pH 6.9] at 30°C, and 1 mM EDTA, which was either removed or titrated out in the metal-binding studies. APP124-189 had good solution properties at pH 6.9, and was stable for months in the presence of EDTA at 0.5 mM.
Inductively-coupled plasma mass spectrometry analysis revealed that APP124-189 had very low levels of bound metal, suggesting that it was in the apo form. An essentially complete set of resonance assignments was determined from spectra acquired using 15N and 13C, 15N- labelled protein. 15N resonances were not observed for Aspl25 and Ilel76. Ten hydrogen bond restraints were also employed along the helix. There are six cysteine residues within this domain, and these form three disulfide bonds. An Ellman's test confirmed that there were no free thiols present, and chemical methods had previously determined the disulfide pairings to be 133-186/187, 158-186/187 and 144-174. Klaus et al . [1993] have shown that C H/C H and C H/C/H NOES have a positive predictive value for a disulfide pairing between half-cystines i and j .
C H/C H and C/H/C H NOES were observed between residues 133 and 187 as well as between 158 and 186, and as a result of this the structure of APP124-189 was determined with the 133-187, 158-186 and 144-174 disulfide pairings [1-6, 3-5, 2-4]. The structures were calculated using the methods reported by Day et al . [1999] . The final 21 structures, depicted in Figure 2a, were selected on the basis of their stereochemical energies, and structural statistics are presented in Table 1.
TABLE 1
Structural Statistics for the 21 Energy-Minimised Structures of APP124-189 from CNS.a
Total distance constraints 1233 Sequential [|i-j| = 1] 321
Short-range [1 < |i-j| < 5] 229 Long-range [|i-j| > 5] 532 Intra-residue 151
Hydrogen bonds 10 Total angle constraints 111 φ 59 ψ 21 λl 31
RMS deviations from experimental distance restraints A [1241]b 0.0216 ± 0.0009
RMS deviations from experimental dihedral restraints [deg] [109] 0.83 ± 0.05
RMS deviations from idealised geometry bonds [A] 0.004 ± 0.00009 angles [deg] 0.50 ± 0.02 impropers [deg] 0.41 ± 0.02
Mean pairwise RMSD [A]
Backbone heavy atoms All heavy atoms
Residues 127-189 0.43 ± 0.16 1.13 ± 0.13 Residues 133-139, 147-159, 0.17 ± 0.05 0J8 ± 0.11 162-167, 181-188
The best 21 structures after energy minimisation using the program CNS [Brunger et al., 1998].
The numbers of restraints are shown in parentheses. None of the structures had distance violations > 0.2 A or dihedral angle violations > 5°.
The structures are well ordered, with only the three N-terminal residues unstructured [angular order parameter < 0.9], and they have good stereochemical properties, with over 98% of backbone angles falling in the allowed regions of the Ramachandran plot. {"""H} 15N heteronuclear NOE data [data not shown] indicate that, with the exception of residues near the N-terminus, the molecule is rigid along the entire sequence. The pairwise root mean square deviation [RMSD] for the ordered residues [127-189] is 0.43 + 0.16 over the backbone atoms [N, Cα, C] , and 0.17 ± 0.05 for the residues involved in secondary structure elements. The three-dimensional structure of APP124-189, shown in Figure lb, consists of an α-helix [residues 147-159] overlying a triple stranded β-sheet [residues 133-139, 162-167 and 181-188] . Residues 133-139 constitute the first strand of the β-sheet, residues 181-189 the second strand, and residues 162-167 the third strand. The disulfide bond between Cysl33-Cysl87 links the first two strands of the β-sheet, while the 158-186 bond links the α-helix to the middle strand of the β-sheet. The 144-174 disulfide bond connects two loops: Cysl44 is in the loop between the first strand of the β-sheet and the α-helix, while Cysl74 is in the loop which connects the second and third strands of the β-sheet.
There are very few buried hydrophobic residues in the vicinity of this disulfide bond, which is therefore probably very important in stabilising the structure in a region which does not have any secondary structure . In addition to the three disulfide bonds there is a small hydrophobic core which assists in stabilising the structure; this core consists of small segments of residues from each of the secondary structure elements, Leul36, Trpl50, Vall53, Alal54, Leul65, Metl70, Vall82 and Vall85. Leul72 has a positive φ angle, as determined by the presence of a large intraresidue NH to CαH NOE and weak [i+1] NOE [Ludvigsen & Poulsen [1992] .
As illustrated in Figure lc, the surface of APP124- 189 is highly charged, with several areas of high negative and positive potential. There is a basic patch on each of the two faces of the protein. One patch consists of residues Lysl32, Lysl34, Lysl61, and on the opposite side of the molecule one face of the helix, Hisl47, Hisl51 and Lysl55, also gives rise to a basic patch. Acidic regions Glul56, GlulδO on one face and Glul83, Aspl67, Aspl31 on the opposite are smaller. There is no extensive hydrophobic area on the surface of APP124-189.
Mass spectrometry revealed that the purified protein was essentially free of metal ions, confirming that it was in the apo form. Titration of Cu[II] into a solution of CuBD resulted in the broadening of some resonances in the NMR spectrum, as would be expected for resonances close to a paramagnetic centre such as Cu[II] . Analysis of the pattern of peaks in the 2D [XH, 15N] HSQC spectrum that were broadened by Cu[II], as shown in Figure 3a, suggested the presence of two binding sites, one centred on Hisl47, Hisl51, Tyrl68 and Met170 and the other involving the N- terminus. The copper-binding site at the N-terminus is not physiologically relevant, since in the intact protein the N-terminus is connected to the growth factor domain [see Figure 1] . There was a general decrease in the signal-to-noise ratio of the spectrum following Cu[II] addition, suggesting that higher order aggregates were being formed. To further characterize the metal binding site, the diamagnetic ions Zn[II] and Ni[II] were each titrated into CuBD solutions; similar changes in the NMR spectra were observed with either metal . Decreases in signal-to-noise consistent with metal ion-induced aggregation were observed with Zn[II] addition, leading to a visible precipitate. Resonances corresponding to the aromatic protons of Tyrl68 broadened and disappeared, as did CεH3 protons of Met170 [Figure 3b] . The backbone amide resonances from Hisl47, Hisl51 and Tyrl68 in the 2D [XH, 15N] HSQC spectrum broadened beyond detection on addition of excess metal ion.
The broadening of resonances upon addition of metal ions is evidence for chemical exchange between the metal bound and apo forms of the protein at an intermediate rate, which implies a K_, in the micromolar range. The lack of change in resonances distant from the immediate metal binding sites indicated that there was no significant structural alteration upon metal binding. To demonstrate a role for Metl70 in the binding and reduction of Cu[II], changes in the 2D [XH, 13C] HSQC spectrum of CuBD upon addition of Cu[II] were monitored, with the XH and 13C chemical shifts of the CεH3 and Cε of methionine being diagnostic. Initially, the S-methyl resonance of Met170 broadened beyond detection, whereas the resonance of Metl41, the only other methionine in CuBD, was unaffected. After incubating the sample at 30°C for 48 hr a new resonance was observed, with """H and 13C chemical shifts typical of CεH3 and Cε from methionine, indicating the presence of a modified Metl70, as shown in Figure 3c. Examination of the structure around the residues whose NMR chemical shifts were affected by the binding of metals shows that residues Hisl47, H149, Tyrl68 and Metl70 are clustered together in the three-dimensional structure so that the side-chains of these residues are presented in a way that would be favourable for metal binding. This is illustrated in Figure 4. The structural orientation of these residues shows that very small movements of the side-chains of these four residues are all that is required before they could bind a metal in a tetrahedral fashion, as shown in Figure 5.
A search of the protein data base did not find any similar coordination spheres for M2+, although peptidylglycine monoxygenase [PDB accession number lphm] contains a surface-available redox-active Cu2+ binding site which consists of two histidine residues, a methionine residue, and a water molecule in a tetrahedral coordination sphere [Prigge et al . 1997]. This protein is found primarily in the pituitary gland, and its function is to C-terminally amidate bioactive peptides. There were no other structurally similarities between peptidylglycine monoxygenase and APP124-189. While no examples of coordination spheres incorporating both methionine and tyrosine could be identified in the literature, there are several examples of copper coordination spheres which include the side- chains of tyrosine residues. An example is galactose oxidase [PDB accession number lgof] ; the copper coordination sphere of this protein includes two histidines and two tyrosine residues, and its function is the catalysis of the stereospecific oxidation of a broad range of primary alcohol substrates. The copper coordination site, which is the active site of this enzyme, has 5-coordinate square pyramidal coordination sphere. Acetate is the fifth ligand in the structure, and Tyr 95 occupies the apex position of the pyramid [Ito et al . 1991]. There no other structural similarities between APP124-189 and galactose oxidase.
The secondary shell about the metal binding site of APP124-189, defined as those residues within 3.5 A of a residue coordinating the metal [Karlin et al . , 1997] is predominantly hydrophobic, with Alal54, Trpl50, Leul65, Phel79, Vall82 and Phel84 all falling with this region. Two hydrophilic residues, Lysl55 and Glul83, are also within 3.5 A of Hisl51 and Tyrl68 and of His47 and Metl70, respectively. The copper-binding site involving Hisl37 and the N- terminus is considered to be an artefact of this particular construct, as the free amine of the N-terminus is a good metal ligand, as indicated by the binding of copper or nickel to albumin. The first two residues of the APP124-189 construct are Serl24 and Aspl25; these are exactly the same as the first two residues of thioredoxin. The N-terminus of thioredoxin is a known copper-binding site, and its crystal structure [PDB accession code 2trx] has a copper which is bound to the N-terminus, a deprotonated backone amide [from D2] and the side-chain carboxyl of the Asp residue, while the fourth ligand is water [Holmgren et al . 1975]. This metal-binding site plays no known role in thioredoxin, and is thought to be opportunistic. In the structure of APP124-189 a better fourth ligand than water, Hisl37, is available, as histidine has a high affinity for Cu2+. However, this second copper-binding site is an artefact of the construct which was used, since in the intact protein there is no free amino group at position 124.
The binding of Cu2+ to the tetrahedrally-arranged Hisl47, Hisl51, Tyrl68 and Met170 illustrated in Figure 4, may explain the redox chemistry associated with copper- binding to APP. In general Cu2+ favours a square planar coordination sphere about the metal, while Cu+ generally prefers a tetrahedral arrangement . The copper-binding site of APP is a rigid tetrahedral site, and Cu+ would be preferred. This site is also located on the surface of the molecule, which would leave the dangerous Cu+ exposed, and may explain some of the toxic effects observed with this domain.
Example 3 : Mutagenesis data supporting the His-His-Tyr-
Met binding si te . The NMR structure indicates that the copper-binding site is composed of Hisl47, Hisl51, Tyrl68, Metl70. Mutagenesis experiments were performed to test this. Hisl47 and Hisl51 were mutated to Asn, Tyrl68 was mutated to Phe, and Metl70 was mutated to Leu. These mutations were incorporated into APP133-189. Recombinant protein was expressed in Pichia pastoris as described above, and purified by standard chromatography methods. The identities of the purified proteins were verified by mass spectrometry. The Cu-reducing activity of the CuBD was tested in a lipid peroxidation assay.
Two different assays of metal mediated lipid peroxidation were utilized. The first assay involved measuring the oxidative activity of metallated proteins. This was determined by mixing dialyzed metallated or native protein at designated concentrations with 0.5mg/mL low-density lipoprotein [LDL] for 24 hr [37°C] . Lipid peroxidation was measured using a lipid peroxidation assay kit [LPO 486, Oxis International Inc. Portland, OR], as per kit instructions. The level of lipid peroxidation was determined by comparing absorbance [486 nm] with LDL alone [100% lipid peroxidation. The second assay was used to measure the lipid peroxidation activity of native proteins in the presence of free, non-protein-bound copper. This involved adding non-metallated peptides [140μM] to 0.5 mg/mL LDL together with 20μM Cu-glycine, and assaying for lipid peroxidation as for the metallated proteins. The level of lipid peroxidation was determined by comparing the absorbance [486 nm] with LDL + Cu-gly [100% lipid peroxidation] . As a negative control, LDL was also exposed to dialysed Cu-glycine solutions comparable to those used to Cu-metallate the proteins.
The results are summarized in Table 2. The control is LDL [0.5 mg/mL] in PBS buffer alone. The APP28-123 is a negative control, and represents background activity. APP133-189 induced strong lipid peroxidation [3-fold above background] . The Hisl47Asn mutation abolished this activity, indicating that this histidine residue is critical for activity. The Metl70Leu and Tyrl68Phe mutations also had a significant effect on the activity of the CuBD. The Hisl51Asn mutation also affected the activity, but to a lesser extent, indicating that Hisl47 has a more important role than Hisl51.
Table 2 LDL oxidation activity of Cu-metallated APP proteins
Example 4 : In silico docking
The chemical structure databases, Maybridge and Aldrich, were obtained from Tripos [Tripos Associates, 1699 S. Hanley Road, St. Louis, MO 63144, USA] in Unity format . These were converted to mol2 format using dbtranslate. software [Tripos] . The National Cancer
Institute [NCI] database was downloaded from the World- Wide Web
[http : //dtp . nci . nih. gov/docs/3d_database/structural_inform ation/structural_data.html] in MDL sd format. This was converted to mol2 format using the program babel [BABEL- 1.6. Walters, P. Stahl, M. [] ] .
All databases were corrected for atom and bond types using in-house software. Entries which included atoms which were not recognisable in the scoring routines were removed. Entries with single heavy atoms [including carbon, nitrogen, oxygen, sulphur, and phosphorus] were removed. Protonation state and atom charges were assigned using the sybdb DOCK ancillary software [Kuntz, 1992] . A short minimization of each ligand was performed to ensure good geometry. The databases contain the following numbers of entries :
Aldrich[l] 58064
Aldrich[2] 106733 Maybridge 57114
National Cancer Institue [NCI] 115344 No attempt was made to ensure uniqueness between or within the databases. Some sites were docked to a reduced Aldrich database, in which the molecular weight was restricted to be less than 300 and the number of rotatable bonds to be less than 4 [Aldrich[l]] .
Docking of entries from the databases to the protein sites was performed using the DOCK software suite. The energy grid used in DOCK was generated using the GRID software. A spacing of 0.25 Angstrom and an all-atom potential were used; apart from this, default parameters were used. Docking employed flexible ligands using the "torsion drive" option, with minimization. Potential sites for docking were initially identified by visual inspection using the InsightII software [Molecular
Simulations Inc., San Diego, USA]. Sites were further defined using ancillary DOCK software. All docking calculations were performed on a Beowulf cluster running the Linux operating system. Scheduling of tasks was performed using the Enfuzion software [TurboLinux Inc., 2000 Sierra Point Parkway, Suite 702, Brisbane, CA 94005, USA.] . Scoring of individual DOCKed solutions was performed using in-house software. The scoring software included several scoring algorithms : Score [Wang et al , 1998] , PMF [Muegge et al, 1999] , ChemScore [Eldridge et al, 1997] and SmoG [DeWitte et al,1996; 1997]. Alternatives which involve subtle differences in these measures were also calculated, using Dock_Score Quality Estimate [Tao and Lai, 2001] , and ChemScore with rotatable bond correction [Stahl and Rarey, 2001] ; SMoG score per heavy atom in the ligand and ligand intramolecular energies were also estimated [Baxter et al, 1998] . Scoring was performed on the twenty-five solutions of lowest energy obtained from DOCK using a consensus measure [Wang and Wang, 2001] .
From the four databases searched, 41 compounds showed a consensus score which was regarded as providing a potentially useful degree of fit. Representative structures thus identified are shown below.
1 -{4-[4-[4-Acetyl-phenyl]-buta-1 ,3-dienyl]-phenyl}-ethanone
[9H-Carbazol-2-yl]-[3-pheπyl-allylidene]-amine
[2,5-DimethyI-phenyl]-carbamic acid nap thalen-2-yl ester
1 -Naphthalen-1 -yl-3-p-tolyl-propenone
9-Methyl-dibenzo[a,c]phenazine
5,2',5"-Trimethyl-[1 , 1 ';3\ 1 "]terphenyl-2,5',2" -triol
Maybridge back
3-[4-Iodo-phenyl]-1 -phenyl-imidazo[1 ,5-a]pyridine
[4-C loro-phenyl]-[4,5-dimethyl-2-phenyl-thieno[2,3-c/]pyrinnidin-6-yl]- methanone NCI Back
2,6-Bis-[5-benzoyl-2,4-dihydroxy-phenyl]-pyran-4-one
N-[9H-Fluoren-2-yl]-/V-phenyl-hydrazine
Of these, compounds 28879, 32499, 35548, 42623, 45007, and 48219 from the Aldrich database docked to the principal copper-binding site encompassing residues His 147, His 151, Tyrl68 and Met 170 [identified as [a] herein] , while Maybridge compounds 21056 and 54249, NCI compounds 31526 and 37643, and Aldrich compounds 76137 and 81972 docked to the secondary binding sites encompassing Leul36, Glnl38, Glul39, Argl40, Metl41, Vall43, Glul45, Hisl49, Trpl50, Vall53, Alal54, Thrl57, ArglδO, Glyl81, Vall82 and Phel84 or Hisl47, Hisl51, Tyrl68, Metl70, Alal54, Trpl50, Lysl55, Leul65, Phel79, Vall82, and Glul83, identified herein as [b] and [c] respectively.
Docking of [2 , 5-dimethyl-phenyl] -carbamic acid napthalen-2-yl ester [Compound 42613] to the principal copper-binding site of APP is illustrated in Figure 6, and docking of 3- [4-Iodo-phenyl] -1-phenyl-imidazo [1-5- a]pyridine [Compound 21056] to the secondary copper- binding site of APP which is located at the back of the copper-binding domain and encompasses the residues listed in [b] is shown in Figure 7.
Example 5 : Cell based assay for Aβ production .
Aβ production is measured using either cell lines or primary cells. Cell lines can be either transfected with APP cDNA or untransfected. Cells are grown using suitable culture medium. The test compound is dissolved in an appropriate solvent, for example DMSO. The cells are treated with different concentrations of the test compound for different lengths of time. Aβ levels are measured by either western blotting or ELISA. The western blot assay involves separating either culture supernatant or cell lysate on SDS-PAGE, followed by western blotting to a membrane. The Aβ is detected using an antibody against Aβ. The levels of Aβ are quantitated by measuring the intensity of the Aβ signal or signals with a suitable detector, such as a phosphorimager or a densitometer. The change in Aβ level is determined by comparing to a non- drug treated control . An alternative method involves first immunoprecipitating the Aβ with an anti-Aβ antibody from either the culture supernatant or cell lysate prior to the SDS-PAGE step. The ELISA assay can be performed using a commercially-available ELISA kit [for example Human Amyloid Aβ[l-42] ELISA kit from IBL Hamburg, http : //www. ibl-hamburg. com/prod/jp_17711_amyloid-b-l- 42.htm] . The assay is performed in a ELISA plate which has been coated with an anti-Aβ antibody. The cell supernatant or cell lysate is added to the plate and incubated for a period of time. The plate is washed and then incubate with another anti-Aβ antibody. After a period of time the plate is washed. The amount of bound antibody may be measured using a reporter molecule that is coupled to the second antibody [for example horse radish peroxidase] . The change in Aβ level is determined by comparing to a non-drug treated control .
Example 6: Real Time Surface Plasmon Resonance Analysis Real time binding experiments are performed on a BIACORE system equipped with the Upgrade kit [BIACORE, Pharmacia] . All experiments are performed at 37°C. To prepare a metal chelating sensor surface, a nitrilotriacetic acid immobilized sensor ship [Sensor chip NTA, BIACORE, Uppsala, Sweden] is exposed to copper solution [lOOμM CuCl2 in Milli-Q water] for 4 min at a flow rate of 5μl/min. For control experiments the sensor surface is treated as above, but by injecting EDTA [lμM] for 4 min. Surface Plasmon Resonance analysis [SPR] buffers and solutions are filtered and degassed: eluent buffer [PBS, 0.005% n-octylglycopyranoside, lμM EDTA, pH7.4], dispenser buffer [PBS, 0.005% n-octylglycopyranoside, 3mM EDTA] and regeneration solutions I [50mM EDTA] and II [45 mM EDTA, 1 mM bathocuproine disulphonate [BC] . After extensive washing to reset the surface with regeneration buffer I followed by eluent buffer, individual flow cells are loaded with copper solution to saturate the surface with Cu[II] . The signal for binding of Cu[II] to NTA is normally about 40 RU. Peptide stock solutions are prepared in lμM EDTA [1 mg/ml] , diluted in PBS [30μg/ml] and injected on to the surface for 2 min [lOμl] by using the KINJECT command. The sensorgram is allowed to run for an additional 20 min after the end of injection to determine the dissociation kinetics. Subsequent treatment with regeneration solution II for 6 min results in return to the baseline signal, indicating that the surface has completely been cleaned. Two observations are central to confirm the reliability of this approach. First, APP peptides do not show binding to the NTA surface when it has not previously been loaded with Cu[II] . Second, the injection of ImM BC for 2 min on to the Cu [II] -charged NTA surface does not affect surface bound RU, showing that peptide binding is specific and exclusively mediated by Cu[II] but not Cu[I] .
Sensorgrams are analyzed using the BIAevaluation 3.0 program [BIACORE] and kinetic constants are obtained by fitting curves to a single-site binding model [A+B=AB] .
Using this method we have been able to demonstrate that APP124-189 is able to reduce Cu[II] to Cu[I], despite the fact that this fragment has no free cysteine residues.
Rational drug design
The process of rational drug design requires no explanation or teaching for the skilled person, but a brief description of computational design is given here for the lay reader. Various computational analyses are necessary to determine whether a molecule is sufficiently complementary to the target moiety or structure to be useful as a pharmaceutical agent . Some of these analyses are discussed above. Such analyses may be carried out in current software applications, such as the Molecular
Similarity application of QUANTA [Molecular Simulations Inc., Waltham, Mass.] version 3.3, and as described in the accompanying User's Guide, Volume 3 pages 134-135. The Molecular Similarity application permits comparisons between different structures, different conformations of the same structure, and different parts of the same structure. The procedure used in Molecular Similarity to compare structures is divided into four steps : 1] load the structures to be compared;
2] define the atom equivalences in these structures ,- 3] perform a fitting operation; and
4] analyze the results.
Each structure is identified by a name. One structure is identified as the target [ie., the fixed structure] ,- all remaining structures are working structures [ie., moving structures]. When a rigid fitting method is used, the working structure is translated and rotated to obtain an optimum fit with the target structure. The fitting operation uses a least squares fitting algorithm which computes the optimum translation and rotation to be applied to the moving structure, such that the root mean square difference of the fit over the specified pairs of equivalent atom is an absolute minimum. This number, given in angstroms, is reported by QUANTA. One skilled in the art may use one of several methods to screen chemical entities or fragments for their ability to associate with a target site. Again, these methods require no elucidation for the skilled person, but are described here for the benefit of the unskilled reader. The screening process begins by visual inspection of the target site on the computer screen, generated from a machine-readable storage medium. Selected fragments or chemical entitles may then be positioned in a variety of orientations, or docked, within that binding pocket as defined above. Docking may be accomplished using software such as Quanta and Sybyl, followed by energy minimization and molecular dynamics with standard molecular mechanics force fields, such as CHARMM and AMBER.
Specialized computer programs may also assist in the process of selected fragments or chemical entities. These include :
1. GRID [Goodford, 1985]. GRID is available from Oxford University, Oxford, UK.
2. MCSS [Miranker et al . , 1991]. MCSS is available from Molecular Simulations, Burlington, Mass.
3. AUTODOCK [Goodsell, 1990]. AUTODOCK is available from Scripps Research Institute, La Jolla, Calif. 4. DOCK [Kuntz, 1982]. DOCK is available from University of California, San Francisco, Calif.
Once suitable chemical entities or fragments have been selected, they can be assembled into a single compound or complex. Assembly may be preceded by visual inspection of the relationship of the fragments to each other on the three-dimensional image displayed on a computer screen in relation to the structure coordinates of the target compound or site. This would be followed by manual model building using software such as Quanta or Sybyl .
Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include : 1. CAVEAT [Bartlett, 1989]. CAVEAT is available from the University of California, Berkeley, Calif. 2. 3D Database systems such as MACCS-3D [MDL Information Systems, San Leandro, Calif.]. This area is reviewed by Martin [1992] . 3. HOOK [available from Molecular Simulations Burlington, Mass.].
As the skilled reader will already know, instead of proceeding to build a ligand for the target in a step-wise fashion, one fragment or chemical entity at a time as described above, target-binding compounds may be designed as a whole or de novo. These methods include:
1. LUDI [Bohm, 1992] . LUDI is available from the Biosym Technologies, San Diego, Calif.
2. LEGEND [Nishibata, 1991]. LEGEND is available from Molecular Simulations, Burlington, Mass.
3. LeapFrog [available from Tripos Associates, St. Louis. Mo. ] .
Other molecular modelling techniques may also be employed. See for example Cohen [1990] . See also Navia [1992] .
Once a compound has been designed or selected by such methods, the efficiency with which that compound can bind to a target site may be tested and optimized by computational evaluation. For example, an effective ligand will preferably demonstrate a relatively small difference in energy between its bound and free states, ie. a small deformation energy of binding. Thus the most efficient ligand should preferably be designed with a deformation energy of binding of not greater than about lOkcal/mole, preferably, not greater than 7 kcal/mole. Ligands may interact with the target in more than one conformation that is similar in overall binding energy.
In those cases, the deformation energy of binding is taken to be the difference between the energy of the free entity and the average energy of the conformations observed when the inhibitor binds to the protein. An entity designed or selected as binding to a target may be further computionally optimized so that in its bound states it would preferably lack repulsive electrostatic interaction with the target enzyme. Such non-complementary [e.g., electrostatic] interactions include repulsive charge-charge, dipole-dipole and charge- dipole interactions. Specifically, the sum of all electrostatic interactions between the ligand and the target, when the ligand is bound to the target, preferably makes a neutral or favourable contribution to the enthalpy of binding.
Specific computer software is available in the art to evaluate compound deformation energy and electrostatic interaction. Examples of programs designed for such uses include: Gaussian 92, revision C [M.J. Frisch, Gaussian, Inc., Pittsburgh, Pa. COPYRGT. 1992]; AMBER, version 4.0 [P. . Kollman, University of California at San Francisco, COPYRGT.1994] ; QUANTA/CHARMM [Molecular Simulations, Inc., Burlington, Mass. COPYRGT.1994] ; and Insight Il/Discover [Biosysm Technologies Inc., San Diego, Calif. COPYRGT.1994] . These programs may be implemented, for instance, using a Silicon Graphics workstation, IRIS 4D/35 or IBM RISC/6000 workstation model 550. Other hardware systems and software packages will be known to those skilled in the art.
Once the ligand has been optimally selected or designed, as described above, substitutions may then be made in some of its atoms or side groups in order to improve or modify its. binding properties. Generally initial substitutions are conservative, ie., the replacement group will have approximately the same size, shape, hydrophobicity and charge as the original group. It should, of course, be understood that components known in the art to alter conformation should be avoided. Such substituted chemical compounds may then be analyzed for efficiency of fit to the desired target site by the same computer methods described in detail, above. Again, all these facts are familiar to the skilled person.
Another approach is the computational screening of small molecule data bases for chemical entities or compounds which can bind in whole, or in part, to a desired target. In this screening, the quality of fit of such entities to the binding site may be judged either by shape complementarity or by estimated interaction energy. [Meng, 1992] .
The computational analysis and design of molecules, as well as software and computer systems therefor, are described in U.S Patent No. 5,978,740 which is included herein by reference, including specifically but not by way of limitation the computer system diagram described with reference to and illustrated in Figure 3 thereof, as well as the data storage media diagram described with reference to and illustrated in Figure 4s and 5 thereof.
It will be appreciated by persons skilled in the art that numerous variations and/or modifications may be made to the invention as shown in the specific embodiments without departing from the spirit or scope of the invention as broadly described. The present embodiments are, therefore, to be considered in all respects as illustrative and not restrictive. REFERENCES :
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ts in vo H co in ro is ro co vD co cN O ro ^ ιn H cN i Λ VD CN C Ln c CΛ o ι> H C o ^ h ∞ ^ ^ o ιs c ^ o ι ιn rø ^ ^ ri n rs oo c ro co ch H *y θ '^ o ch ^ ro o ^ o H ^ CN O ro H H is in o OT vo ro r^ ui o o c C VD VD m in vo o vD H ^ cN oo m ^ ch Ch ^ ^ Ln H H h ro ra c^ r- cn
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^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ in iri m i Ln in iΛ Ln tn in ui ui in ifl Ln in i iΛ W in Ln in in in in ui in in u in in in ui in in in in ui in in tn in in in in in in in in in iΛ in in in in ^ in
H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H
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o o o oo o o o o o o oo o o o o o o oo oo oo o oo o o oo oo o o oo o o o o oo o o o o o o o oo o o oo o o o o o o oo o o oo o o o oo o oo oo o o o o oo o o o o oo oo oo o o o o o o o oo o oo o oo o o oo o o o o oo oo o o o o o oo oo o o o o oo o o oo o o o oo o o o oo oo o o o o o o oo oo oo oo o o o o o o o oo o o oo o o o o o o o o o o oo o o o o o o o o o o o o o o o oo o o o o oo o o o o o o o o o o oo o o oo o o o o o o o o o o oo o oo o o o o oo o o oo o o o oo o o o o o o o o o oo o o o o o o oo o o o o oo o o o o o o o o o o oo o o oo o o o o o o o o oo oo o oo o o oo oo oo oo o o o o o o o oo o oo o o o o o o o o o o oo o o o o oo o
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113
ATOM 781 NE2 HIS+ 166 8.953 -2 .836 9 .810 1 .00 0 .00
ATOM 782 2HD HIS+ 166 8.684 -1 .533 8 .064 1 .00 0 .00
ATOM 783 IHE HIS+ 166 8.875 -4 .663 10 .924 1 .00 0 .00
ATOM 784 2HE HIS+ 166 9.118 -2 .182 10 .522 1 .00 0 .00
ATOM 785 C HIS+ 166 5.373 -2 .847 6 .988 1 .00 0 .00
ATOM 786 O HIS+ 166 4.767 -2 .886 8 .059 1 .00 0 .00
ATOM 787 N ASP 167 5.417 -1 .763 6 .216 1 .00 0 .00
ATOM 788 H ASP 167 5.914 -1 .798 5 .370 1 .00 0 .00
ATOM 789 CA ASP 167 4.744 -0 .520 6 .605 1 .00 0 .00
ATOM 790 HA ASP 167 4.269 -0 .693 7 .558 1 .00 0 .00
ATOM 791 CB ASP 167 5.748 0 .631 6 .759 1 .00 0 .00
ATOM 792 1HB ASP 167 5.356 1 .344 7 .469 1 .00 0 .00
ATOM 793 2HB ASP 167 5.872 1 .119 5 .804 1 .00 0 .00
ATOM 794 QB ASP 167 5.614 1 .231 6 .637 1 .00 0 .00
ATOM 795 CG ASP 167 7.112 0 .182 7 .240 1 .00 0 .00
ATOM 796 OD1 ASP 167 7.364 0 .256 8 .459 1 .00 0 .00
ATOM 797 OD2 ASP 167 7.933 -0 .241 6 .396 1 .00 0 .00
ATOM 798 C ASP 167 3.675 -0 .121 5 .590 1 .00 0 .00
ATOM 799 O ASP 167 3.941 0 .620 4 .647 1 .00 0 .00
ATOM 800 N TYR 168 2.467 -0 .619 5 .792 1 .00 0 .00
ATOM 801 H TYR 168 2.323 -1 .202 6 .566 1 .00 0 .00
ATOM 802 CA TYR 168 1.335 -0 .320 4 .912 1 .00 0 .00
ATOM 803 HA TYR 168 1.721 -0 .074 3 .924 1 .00 0 .00
ATOM 804 CB TYR 168 0.427 -1 .547 4 .809 1 .00 0 .00
ATOM 805 1HB TYR 168 0.740 -2 .152 3 .972 1 .00 0 .00
ATOM 806 2HB TYR 168 -0.592 -1 .221 4 .652 1 .00 0 .00
ATOM 807 QB TYR 168 0.074 -1 .687 4 .312 1 .00 0 .00
ATOM 808 QD TYR 168 0.463 -2 .510 6 .198 1 .00 0 .00
ATOM 809 QE TYR 168 0.537 -3 .893 8 .229 1. .00 0, .00
ATOM 810 QR TYR 168 0.500 -3 .201 7 .214 1 .00 0 .00
ATOM 811 CG TYR 168 0.457 -2 .411 6 .053 1 .00 0 .00
ATOM 812 CD1 TYR 168 1.284 -3 .526 6 .129 1 .00 0 .00
ATOM 813 1HD TYR 168 1.902 -3 .781 5 .281 1 .00 0 .00
ATOM 814 CE1 TYR 168 1.328 -4 .304 7 .268 1 .00 0 .00
ATOM 815 IHE TYR 168 1.980 -5 .166 7 .309 1, .00 0, .00
ATOM 816 CZ TYR 168 0.539 -3 .976 8 .350 1, .00 0, .00
ATOM 817 CE2 TYR 168 -0.290 -2, .877 8 .299 1, .00 0, .00
ATOM 818 2HE TYR 168 -0.907 -2 .620 9 .148 1, .00 0, .00
ATOM 819 CD2 TYR 168 -0.328 -2, .101 7 .157 1. .00 0, .00
ATOM 820 2HD TYR 168 -0.976 -1, .238 7. .115 1. .00 0, .00
ATOM 821 OH TYR 168 0.578 -4, .750 9. .483 1. .00 0. .00
ATOM 822 HH TYR 168 1.381 -4 .556 9 .976 1, .00 0, .00
ATOM 823 C TYR 168 0.534 0 .868 5 .434 1, .00 0, .00
ATOM 824 O TYR 168 0.386 1 .048 6 .643 1. .00 0, .00
ATOM 825 N GLY 169 -0.002 1, .654 4, .521 1, .00 0, .00
ATOM 826 H GLY 169 0.133 1, .451 3, .569 1. .00 0, .00
ATOM 827 CA GLY 169 -0.801 2, .798 4, .893 1. .00 0, .00
ATOM 828 1HA GLY 169 -0.176 3, .679 4, .911 1. .00 0, .00
ATOM 829 2HA GLY 169 -1.217 2. .636 5, .877 1. .00 0. .00
ATOM 830 QA GLY 169 -0.696 3. .157 5. .394 1. ,00 0. .00
ATOM 831 C GLY 169 -1.916 3. ,005 3. .904 1. .00 0. ,00
ATOM 832 O GLY 169 -1.748 2. ,735 2. .723 1. .00 0. ,00
ATOM 833 N MET 170 -3.057 3. .467 4. .366 1. .00 0. ,00
ATOM 834 H MET 170 -3.148 3, .666 5. .320 1. ,00 0, .00
ATOM 835 CA MET 170 -4.185 3, .694 3, .476 1. .00 0, .00
ATOM 836 HA MET 170 -3.868 3. .453 2, .460 1. ,00 0. .00
ATOM 837 CB MET 170 -5.379 2. .816 3. ,870 1. ,00 0. .00
ATOM 838 1HB MET 170 -6.289 3. ,350 3. .634 1. ,00 0. ,00
ATOM 839 2HB MET 170 -5.345 2. ,645 4. ,935 1. 00 0. ,00
ATOM 840 QB MET 170 -5.817 2. ,997 4. .285 1. 00 0. .00
ATOM 841 CG MET 170 -5.432 1. ,460 3. .174 1. 00 0. .00
ATOM 842 1HG MET 170 -5.806 1. 606 2. .171 1. 00 0. 00
ATOM 843 2HG MET 170 -6.112 0. 822 3. .717 1. 00 0. 00
ATOM 844 QG MET 170 -5.959 1. 214 2. 944 1. 00 0. 00
ATOM 845 SD MET 170 -3.830 0. .635 3. .076 1. 00 0. ,00
ATOM 846 QE MET 170 -4.126 -1. .035 4. .394 1. 00 0. ,00
ATOM 847 CE MET 170 -4.076 -0. 754 4. ,173 1. 00 0. ,00
ATOM 848 IHE MET 170 -4.455 -1. 595 3. ,611 1. 00 0. 00
ATOM 849 2HE MET 170 -4.787 -0. .486 4. ,941 1. 00 0. ,00
ATOM 850 3HE MET 170 -3.135 -1. .022 4. ,630 1. 00 0. ,00
ATOM 851 C MET 170 -4.577 5. .158 3. .537 1. 00 0. 00
ATOM 852 O MET 170 -4.903 5. 679 4. .605 1. 00 0. 00 - 114
ATOM 853 N LEU 171 -4. .535 5 .818 2 .399 1, .00 0 .00
ATOM 854 H LEU 171 -4 .265 5 .347 1 .582 1 .00 0 .00
ATOM 855 CA LEU 171 -4 .872 7 .228 2 .333 1 .00 0 .00
ATOM 856 HA LEU 171 -5 .059 7 .564 3 .343 1 .00 0 .00
ATOM 857 CB LEU 171 -3 .700 8 .028 1 .756 1 .00 0 .00
ATOM 858 1HB LEU 171 -2 .861 7 .931 2 .431 1 .00 0 .00
ATOM 859 2HB LEU 171 -3 .986 9 .068 1 .716 1, .00 0 .00
ATOM 860 QB LEU 171 -3, .423 8, .499 2, .074 1, .00 0 .00
ATOM 861 CG LEU 171 -3, .239 7, .603 0, .362 1, .00 0 .00
ATOM 862 HG LEU 171 -4 .003 6, .992 -0, .095 1, .00 0 .00
ATOM 863 QD1 LEU 171 -2, .970 9, .108 -0, .721 1, .00 0 .00
ATOM 864 QD2 LEU 171 -1, .658 6, .592 0 .463 1. .00 0 .00
ATOM 865 CD1 LEU 171 -3 .023 8, .818 -0 .512 1. .00 0 .00
ATOM 866 1HD1 LEU 171 -2 .478 9, .568 0 .042 1, .00 0 .00
ATOM 867 2HD1 LEU 171 -3 .977 9, .220 -0 .819 1, .00 0 .00
ATOM 868 3HD1 LEU 171 -2 .454 8 .536 -1 .386 1 .00 0 .00
ATOM 869 CD2 LEU 171 -1 .963 6 .785 0 .443 1 .00 0 .00
ATOM 870 1HD2 LEU 171 -1 .240 7 .179 -0 .257 1 .00 0 .00
ATOM 871 2HD2 LEU 171 -2 .176 5 .756 0 .200 1 .00 0 .00
ATOM 872 3HD2 LEU 171 -1 .559 6 .843 1 .445 1, .00 0 .00
ATOM 873 QQD LEU 171 -2 .314 7 .850 -0 .129 1. .00 0 .00
ATOM 874 C LEU 171 -6 .130 7 .446 1 .508 1. .00 0 .00
ATOM 875 O LEU 171 -6 .835 6 .487 1 .187 1, .00 0 .00
ATOM 876 N LEU 172 -6 .399 8 .713 1, .176 1, .00 0 .00
ATOM 877 H LEU 172 -5 .784 9 .414 1 .475 1, .00 0 .00
ATOM 878 CA LEU 172 -7 .574 9 .102 0 .389 1. .00 0 .00
ATOM 879 HA LEU 172 -7 .720 10, .163 0 .519 1, .00 0 .00
ATOM 880 CB LEU 172 -7 .348 8 .818 -1 .102 1, .00 0 .00
ATOM 881 1HB LEU 172 -8 .228 8 .323 -1 .485 1, .00 0 .00
ATOM 882 2HB LEU 172 -6, .511 8, .142 -1, .199 1. .00 0. .00
ATOM 883 QB LEU 172 -7, .369 8, .232 -1, .342 1. .00 0, .00
ATOM 884 CG LEU 172 -7, .079 10. .049 -1, .975 1. .00 0. .00
ATOM 885 HG LEU 172 -6, .704 9, .725 -2. .935 1. .00 0. .00
ATOM 886 QD1 LEU 172 -8 .668 11 .010 -2 .270 1, .00 0 .00
ATOM 887 QD2 LEU 172 -5 .776 11 .158 -1 .190 1, .00 0 .00
ATOM 888 CD1 LEU 172 -8 .364 10 .826 -2 .213 1, .00 0 .00
ATOM 889 1HD1 LEU 172 -8 .471 11 .028 -3 .269 1, .00 0 .00
ATOM 890 2HD1 LEU 172 -8 .326 11 .759 -1 .671 1, .00 0 .00
ATOM 891 3HD1 LEU 172 -9 .207 10 .244 -1 .871 1, .00 0 .00
ATOM 892 CD2 LEU 172 -6 .027 10 .946 -1 .339 1, .00 0 .00
ATOM 893 1HD2 LEU 172 -5 .730 10 .536 -0 .386 1, .00 0 .00
ATOM 894 2HD2 LEU 172 -6 .435 11, .935 -1, .195 1. .00 0, .00
ATOM 895 3HD2 LEU 172 -5 .163 11, .005 -1, .989 1. .00 0, .00
ATOM 896 QQD LEU 172 -7, .222 11, .084 -1, .730 1. .00 0, .00
ATOM 897 C LEU 172 -8, .830 8. .378 0, .866 1. .00 0. .00
ATOM 898 O LEU 172 -9, .353 7, .515 0, .164 1. .00 0, .00
ATOM 899 N PRO 173 -9 .330 8. .712 2, .068 1. .00 0, .00
ATOM 900 CD PRO 173 -8 .777 9. .729 2, .980 1. .00 0, .00
ATOM 901 CA PRO 173 10 .526 8. .072 2, .619 1. .00 0, .00
ATOM 902 HA PRO 173 10 .345 7, .028 2, .842 1. ,00 0, .00
ATOM 903 CB PRO 173 10 .790 8, .843 3, .916 1, .00 0, .00
ATOM 904 1HB PRO 173 ■11 .137 8 .161 .679 1, .00 0 .00
ATOM 905 2HB PRO 173 ■11 .538 9 .603 3 .739 1, .00 0 .00
ATOM 906 QB PRO 173 ■11 .337 8, .882 4, .209 1. .00 0 .00
ATOM 907 CG PRO 173 -9, .475 9, .444 4, .281 1. .00 0, .00
ATOM 908 1HG PRO 173 -8 .901 8, .744 4, .869 1. ,00 0, .00
ATOM 909 2HG PRO 173 -9 .630 10, .360 4, .832 1. ,00 0, .00
ATOM 910 QG PRO 173 -9 .265 9, .552 4, .851 1. ,00 0, .00
ATOM 911 1HD PRO 173 -7 .709 9, .608 3, .090 1. .00 0, .00
ATOM 912 2HD PRO 173 -9 .012 10, .726 2, .635 1. .00 0, .00
ATOM 913 QD PRO 173 -8 .360 10, .167 2, .863 1. ,00 0, .00
ATOM 914 C PRO 173 11 .716 8, .185 1, .675 1. ,00 0, .00
ATOM 915 O PRO 173 11 .941 9, .222 1. .051 1. ,00 0, .00
ATOM 916 N CYS 174 12 .464 7, .106 1, .567 1. .00 0, .00
ATOM 917 H CYS 174 12, .229 6. .307 2. .087 1. 00 0. ,00
ATOM 918 CA CYS 174 13, .624 7. .068 0. .695 1. 00 0. .00
ATOM 919 HA CYS 174 13, .676 8. ,008 0. .167 1. 00 0. .00
ATOM 920 CB CYS 174 13, .467 5, .931 -0. .313 1. 00 0. .00
ATOM 921 1HB CYS 174 13 .137 5, .045 0. .209 1. .00 0, .00
ATOM 922 2HB CYS 174 12 .720 6, .210 -1. .041 1. .00 0, .00
ATOM 923 QB CYS 174 12 .928 5, .627 -0. .416 1. .00 0. .00
ATOM 924 SG CYS 174 14, .983 5, .503 -1, .221 1. .00 0. .00 O O O O O O O O O OO O O OO O O O OO O O O OO OO O O O O O OO O O OO O O O O O O OO OO OO O O O O O OO O O OO O O OO OO OO OO O O O O O O O O O O OO O O OO O O O OO O O O OO OO O OO O O OO O O OO OO O OO O OO OOOOOOOOO OOOO OOOOOOOO OO OO O ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooσooooooooo ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooσσooooooooooooooooooooooooooooσσoooooooooooooooooo rt rt rt rt rt rt rt rt ririririririririririri ri H H rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt i ri ri . , ~ . ro vo ri i ra c ro vo oo in ch
o i ri VD in o co ri o vo ri H CN [s |s cs r^ is ιn ι ω ιn iΛ ^ ^ c ri
O ∞ ^ ω ts VD r0 O 0 ri ^ lO i ^ t ∞ 0 C ri ^ ^ ri r0 N in ^ VD CN C ch ri is ch ^ ω o o ri o ri c vD h ri o ^ o co ri ri oo ^ π co ∞ cN ts i i ri r o ro ri Λ i ts r^ D ^ ro is ∞ if] co ^ ri IS- Ch co rΛ r ^ H ro ^ ch co i ^ o o ^ D CN o σ r ro cN ri L c ro ϊ CN ri ω o o in N O ro H vo ι VD in ιn ιn vD tn ιn vD Ln ιn ιn vD ^ ro ιn ιn ιn ιn vo ιn VD iΛ ω iΛ VD in ^ ^ ^ ro ro cN CN θ ri o o o o o ri ri c^ m ω ω
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U U D P P P CD ø U O H H H H H H H H H H H H H H H H H H H H H H rt rt rt rt rt rt rt rt rt rt rt rt rt lJ l^ J Λ Λ hP iα P h-I Λ hP hP J h ^ i-l P J μP Λ Λ H H H H H H OI fl Q R f r rt CQ fflflff flf t P [< ι< B B B n θ B B B P fl fl P B a H M N N N tJ Kl o P a
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116
ATOM 997 N PHE 179 -11 .242 3 .332 1 .747 1 .00 0 .00
ATOM 998 H PHE 179 -11 .227 2 .423 1 .376 1 .00 0 .00
ATOM 999 CA PHE 179 -10 .213 4 .267 1 .332 1 .00 0 .00
ATOM 1000 HA PHE 179 -10 .537 5 .266 1 .583 1 .00 0 .00
ATOM 1001 CB PHE 179 -8 .887 3 .971 2 .035 1 .00 0 .00
ATOM 1002 1HB PHE 179 -8 .160 4 .664 1 .675 1 .00 0 .00
ATOM 1003 2HB PHE 179 -8 .561 2 .978 1 .781 1 .00 0 .00
ATOM 1004 QB PHE 179 -8 .360 3 .821 1 .728 1 .00 0 .00
ATOM 1005 QD PHE 179 -8 .941 4 .093 3 .702 1 .00 0 .00
ATOM 1006 QE PHE 179 -9 .023 4 .279 6 .153 1 .00 0 .00
ATOM 1007 QR PHE 179 -8 .999 4 .224 5 .418 1 .00 0 .00
ATOM 1008 CG PHE 179 -8 .936 4 .082 3 .535 1 .00 0 .00
ATOM 1009 CD1 PHE 179 -9 .434 3 .043 4 .307 1 .00 0 .00
ATOM 1010 1HD PHE 179 -9 .791 2 .146 3 .822 1 .00 0 .00
ATOM 1011 CE1 PHE 179 -9 .481 3 .145 5 .684 1 .00 0 .00
ATOM 1012 IHE PHE 179 -9 .875 2 .329 6 .273 1 .00 0 .00
ATOM 1013 CZ PHE 179 -9 .027 4 .291 6 .305 1 .00 0 .00
ATOM 1014 HZ PHE 179 -9 .065 4 .374 7 .382 1 .00 0 .00
ATOM 1015 CE2 PHE 179 -8 .527 5 .332 5 .548 1 .00 0 .00
ATOM 1016 2HE PHE 179 -8 .172 6 .230 6 .032 1 .00 0 .00
ATOM 1017 CD2 PHE 179 -8 .483 5 .225 4 .171 1 .00 0 .00
ATOM 1018 2HD PHE 179 -8 .091 6 .041 3 .581 1, .00 0 .00
ATOM 1019 C PHE 179 -9 .994 4 .170 -0 .163 1 .00 0 .00
ATOM 1020 0 PHE 179 -10 .704 3 .442 -0 .859 1 .00 0 .00
ATOM 1021 N ARG+ 180 -8 .993 4 .889 -0 .644 1 .00 0 .00
ATOM 1022 H ARG+ 180 -8 .463 5 .439 -0 .023 1 .00 0 .00
ATOM 1023 CA ARG+ 180 -8 .644 4 .881 -2 .058 1 .00 0 .00
ATOM 1024 HA ARG+ 180 -9 .068 3 .992 -2 .505 1 .00 0 .00
ATOM 1025 CB ARG+ 180 -9 .213 6 .116 -2 .770 1 .00 0 .00
ATOM 1026 1HB ARG+ 180 -9 .014 6 .023 -3 .827 1 .00 0 .00
ATOM 1027 2HB ARG+ 180 -8 .706 6 .993 -2 .401 1 .00 0, .00
ATOM 1028 QB ARG+ 180 -8 .860 6 .508 -3 .114 1 .00 0, .00
ATOM 1029 CG ARG+ 180 -10 .709 6 .311 -2 .579 1 .00 0 .00
ATOM 1030 1HG ARG+ 180 -10, .867 7 .076 -1 .832 1. .00 0, .00
ATOM 1031 2HG ARG+ 180 -11, .140 5. .380 -2 .239 1. .00 0, .00
ATOM 1032 QG ARG+ 180 -11, .003 6. .228 -2 .035 1, .00 0, .00
ATOM 1033 CD ARG+ 180 -11, .393 6, .727 -3, .872 1, .00 0, .00
ATOM 1034 1HD ARG+ 180 -11, .956 5, .885 -4, .251 1. .00 0. .00
ATOM 1035 2HD ARG+ 180 -10. .635 7, .003 -4, .591 1. .00 0. .00
ATOM 1036 QD ARG+ 180 -11. .295 6, .444 -4, .421 1. .00 0. .00
ATOM 1037 NE ARG+ 180 -12, .299 7 .860 -3 .678 1, .00 0, .00
ATOM 1038 HE ARG+ 180 -12, .296 8 .294 -2 .795 1, .00 0, .00
ATOM 1039 CZ ARG+ 180 -13, .117 8. .327 -4, .623 1, .00 0, .00
ATOM 1040 NH1 ARG+ 180 -13, .120 7. .776 -5, .832 1, .00 0, .00
ATOM 1041 1HH1 ARG+ 180 -12, .506 7, .009 -6, .038 1. .00 0. .00
ATOM 1042 2HH1 ARG+ 180 -13, .727 8. .125 -6, .546 1, .00 0. .00
ATOM 1043 QH1 ARG+ 180 -13. .116 7. .567 -6, .292 1. ,00 0. .00
ATOM 1044 NH2 ARG+ 180 -13, .917 9 .355 -4 .361 1, .00 0, .00
ATOM 1045 1HH2 ARG+ 180 -13, .909 9 .780 -3 .454 1, .00 0, .00
ATOM 1046 2HH2 ARG+ 180 -14, .530 9 .709 -5, .069 1, .00 0, .00
ATOM 1047 QH2 ARG+ 180 -14, .219 9, .744 -4, .261 1. .00 0. .00
ATOM 1048 C ARG+ 180 -7. .128 4. .849 -2. .237 1. ,00 0. ,00
ATOM 1049 O ARG+ 180 -6. .630 4. .556 -3. ,313 1. 00 0. 00
ATOM 1050 N GLY 181 -6. ,389 5. .165 -1. ,187 1. 00 0. ,00
ATOM 1051 H GLY 181 -6. ,820 5. ,399 -0. ,337 1. 00 0. 00
ATOM 1052 CA GLY 181 -4. .944 5, .180 -1. .301 1. ,00 0. ,00
ATOM 1053 1HA GLY 181 -4. ,579 6, .134 -0. .951 1. ,00 0. ,00
ATOM 1054 2HA GLY 181 -4. .682 5, .072 -2. .343 1. ,00 0. ,00
ATOM 1055 QA GLY 181 -4. .630 5, .603 -1. ,647 1. ,00 0. ,00
ATOM 1056 C GLY 181 -4. .263 4. .082 -0. ,519 1. 00 0. 00
ATOM 1057 O GLY 181 -4. ,807 3. .574 0. .460 1. 00 0. 00
ATOM 1058 N VAL 182 -3. ,060 3. ,726 -0. .960 1. 00 0. 00
ATOM 1059 H VAL 182 -2. .693 4. .186 -1. .737 1. ,00 0. ,00
ATOM 1060 CA VAL 182 -2. .257 2. .690 -0. ,324 1. ,00 0. ,00
ATOM 1061 HA VAL 182 -2. .547 2, .624 0. ,718 1. ,00 0. ,00
ATOM 1062 CB VAL 182 -2. .454 1. .300 -0. ,988 1. ,00 0. 00
ATOM 1063 HB VAL 182 -1. ,678 1. .176 -1. .731 1. 00 0. 00
ATOM 1064 QG1 VAL 182 -2. .258 -0. .070 0. 282 1. 00 0. 00
ATOM 1065 QG2 VAL 182 -4. 120 1. 156 -1. 853 1. 00 0. 00
ATOM 1066 CGI VAL 182 -2. 295 0. 193 0. 038 1. 00 0. 00
ATOM 1067 1HG1 VAL 182 -2. .434 0. .598 1. 030 1. 00 0. 00
ATOM 1068 2HG1 VAL 182 -1. .306 -0. .234 -0. 042 1. 00 0. 00 oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooσooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooσooooooooo ooooooooooooooooooooooooooooσoooooooooooooooooooooooooooooooooσooooooooσ oooooooooooooo ooooooooooooooσooooooooooooooooooooooooooooooooooooooooo oooooooooooooo ooooooooooooooooooooooooooooooooooooooσσooo oooooooooσoo
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ATOM 897 C LEU 172 -9 .032 8 .289 0 .587 1 .00 0 .00
ATOM 898 O LEU 172 -9 .649 7 .514 -0 .139 1 .00 0 .00
ATOM 899 N PRO 173 -9 .502 8 .636 1 .798 1 .00 0 .00
ATOM 900 CD PRO 173 -8 .866 9 .562 2 .746 1 .00 0 .00
ATOM 901 CA PRO 173 -10 .766 8 .111 2. .322 1 .00 0 .00
ATOM 902 HA PRO 173 -10 .774 7 .030 2 .325 1, .00 0 .00
ATOM 903 CB PRO 173 -10 .819 8 .633 3 .766 1 .00 0 .00
ATOM 904 1HB PRO 173 -11 .099 7 .828 4 .430 1 .00 0 .00
ATOM 905 2HB PRO 173 -11 .548 9 .428 3 .832 1 .00 0 .00
ATOM 906 QB PRO 173 -11 .323 8 .628 4 .131 1 .00 0 .00
ATOM 907 CG PRO 173 -9 .442 9 .130 4 .063 1 .00 0 .00
ATOM 908 1HG PRO 173 -8 .849 8 .335 4 .491 1 .00 0 .00
ATOM 909 2HG PRO 173 -9 .494 9 .968 4 .744 1 .00 0 .00
ATOM 910 QG PRO 173 -9 .171 9 .152 4 .618 1, .00 0 .00
ATOM 911 1HD PRO 173 -7 .793 9 .442 2 .743 1, .00 0 .00
ATOM 912 2HD PRO 173 -9 .137 10 .586 2 .531 1, .00 0 .00
ATOM 913 QD PRO 173 -8 .465 10 .014 2, .637 1, .00 0 .00
ATOM 914 C PRO 173 -11 .963 8 .623 1 .528 1, .00 0 .00
ATOM 915 O PRO 173 -12 .208 9 .827 1. .469 1, .00 0 .00
ATOM 916 N CYS 174 -12 .703 7 .711 0 .916 1 .00 0 .00
ATOM 917 H CYS 174 -12 .462 6 .764 0 .993 1 .00 0 .00
ATOM 918 CA CYS 174 -13 .869 8 .094 0 .130 1 .00 0 .00
ATOM 919 HA CYS 174 -13 .872 9 .173 0 .065 1, .00 0 .00
ATOM 920 CB CYS 174 -13 .788 7 .516 -1 .284 1, .00 0 .00
ATOM 921 1HB CYS 174 -12 .757 7 .279 -1. .506 1, .00 0 .00
ATOM 922 2HB CYS 174 -14 .138 8 .259 -1, .984 1, .00 0 .00
ATOM 923 QB CYS 174 -13 .447 7, .769 -1, .745 1. .00 0 .00
ATOM 924 SG CYS 174 -14 .773 6, .006 -1, .551 1, .00 0 .00
ATOM 925 C CYS 174 -15. .151 7, .655 0, .824 1. .00 0 .00
ATOM 926 O CYS 174 -16 .250 8 .047 0 .432 1, .00 0 .00
ATOM 927 N GLY 175 -15 .000 6 .857 1 .869 1. .00 0 .00
ATOM 928 H GLY 175 -14 .097 6 .593 2 .146 1, .00 0 .00
ATOM 929 CA GLY 175 -16 .144 6, .393 2, .622 1, .00 0 .00
ATOM 930 1HA GLY 175 -16 .335 5, .360 2, .379 1. .00 0 .00
ATOM 931 2HA GLY 175 -17 .007 6, .988 2, .356 1. .00 0 .00
ATOM 932 QA GLY 175 -16 .671 6, .174 2, .368 1. .00 0 .00
ATOM 933 C GLY 175 -15 .893 6, .514 4, .106 1. .00 0 .00
ATOM 934 O GLY 175 -14 .825 6, .967 4, .511 1. .00 0 .00
ATOM 935 N ILE 176 -16, .860 6, .108 4, .920 1. .00 0, .00
ATOM 936 H ILE 176 -17, .689 5, .750 4, .543 1. .00 0, .00
ATOM 937 CA ILE 176 -16, .705 6, .178 6. .368 1. .00 0, .00
ATOM 938 HA ILE 176 -16 .420 7 .192 6, .618 1. .00 0 .00
ATOM 939 CB ILE 176 -18 .033 5, .850 7, .102 1, .00 0 .00
ATOM 940 HB ILE 176 -18 .685 6, .705 7, .001 1. .00 0 .00
ATOM 941 QG2 ILE 176 -18 .899 4, .373 6, .321 1. .00 0, .00
ATOM 942 CG2 ILE 176 -18, .733 4, .656 6, .469 1. .00 0 .00
ATOM 943 1HG2 ILE 176 -19, .458 4, .257 7, .164 1. ,00 0 .00
ATOM 944 2HG2 ILE 176 -18, .005 3, .894 6. .235 1. ,00 0, .00
ATOM 945 3HG2 ILE 176 -19, .235 4, .968 5, .565 1. ,00 0, .00
ATOM 946 CGI ILE 176 -17, .789 5. .594 8. .591 1. ,00 0, .00
ATOM 947 1HG1 ILE 176 -16, .750 5, .788 8. .819 1. ,00 0. .00
ATOM 948 2HG1 ILE 176 -18, .014 4. ,561 8. .814 1. 00 0, .00
ATOM 949 QG1 ILE 176 -17. .382 5. .175 8. .817 1. 00 0, .00
ATOM 950 QD1 ILE 176 -18, .836 6, .665 9, .714 1. .00 0, .00
ATOM 951 GDI ILE 176 -18, .635 6, .459 9, .498 1. ,00 0, .00
ATOM 952 1HD1 ILE 176 -19, .472 6, .854 8, .941 1. .00 0, .00
ATOM 953 2HD1 ILE 176 -18, .037 7, .275 9, .877 1. .00 0, .00
ATOM 954 3HD1 ILE 176 -18, .999 5, .866 10. .324 1. .00 0, .00
ATOM 955 C ILE 176 -15. .587 5, .234 6. .826 1. 00 0, .00
ATOM 956 O ILE 176 -14, .762 5. .593 7. .664 1. 00 0. .00
ATOM 957 N ASP 177 -15, .559 4. ,038 6. ,242 1. 00 0. ,00
ATOM 958 H ASP 177 -16. .234 3. .826 5. ,569 1. 00 0. .00
ATOM 959 CA ASP 177 -14. .540 3. ,042 6. .557 1. 00 0. ,00
ATOM 960 HA ASP 177 -13. .759 3. ,530 7. .124 1. 00 0. ,00
ATOM 961 CB ASP 177 -15, .135 1. .907 7, .399 1. 00 0. .00
ATOM 962 1HB ASP 177 -15. .734 1. .272 6. .763 1. 00 0. .00
ATOM 963 2HB ASP 177 -15, .759 2. .327 8. ,172 1. 00 0. ,00
ATOM 964 QB ASP 177 -15. .746 1. .800 7. .468 1. 00 0. ,00
ATOM 965 CG ASP 177 -14. .069 1. .052 8. ,059 1. 00 0. ,00
ATOM 966 OD1 ASP 177 -12. .960 1. .568 8. .309 1. 00 0. ,00
ATOM 967 OD2 ASP 177 -14. ,342 -0. ,138 8. .318 1. 00 0. ,00
ATOM 968 C ASP 177 -13. ,942 2. .480 5. .269 1. 00 0. 00 o
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ririririririririririririririririri oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo
- 157
ATOM 343 SD MET 141 -9 .909 11 .510 -5 .102 1 .00 0 .00
ATOM 344 QE MET 141 -10. .423 12 .429 -6 .978 1 .00 0 .00
ATOM 345 CE MET 141 -10 .338 12 .274 -6 .664 1 .00 0 .00
ATOM 346 IHE MET 141 -11 .322 12 .713 -6 .593 1 .00 0 .00
ATOM 34 2HE MET 141 -10 .331 11 .528 -7 .445 1 .00 0 .00
ATOM 348 3HE MET 141 -9 .617 13 .045 -6 .897 1 .00 0 .00
ATOM 349 C MET 141 -10 .304 6 .918 -7 .031 1, .00 0. .00
ATOM 350 O MET 141 -11. .319 7 .532 -7 .368 1, .00 0, .00
ATOM 351 N ASP 142 -10. .027 5 .695 -7 .451 1, .00 0. .00
ATOM 352 H ASP 142 -9. .209 5 .263 -7 .135 1, .00 0, .00
ATOM 353 CA ASP 142 -10. .894 4 .969 -8 .358 1, .00 0. .00
ATOM 354 HA ASP 142 -11, .612 5 .664 -8 .766 1, .00 0. .00
ATOM 355 CB ASP 142 -10. .078 4 .362 -9 .499 1, .00 0 .00
ATOM 356 1HB ASP 142 -10. .740 4 .145 -10 .316 1, .00 0, .00
ATOM 35 2HB ASP 142 -9. .625 3 .444 -9 .159 1, .00 0. .00
ATOM 358 QB ASP 142 -10 .182 3 .795 -9 .737 1 .00 0 .00
ATOM 359 CG ASP 142 -8 .983 5 .276 -10 .002 1 .00 0 .00
ATOM 360 OD1 ASP 142 -7 .863 5 .218 -9 .449 1 .00 0 .00
ATOM 361 OD2 ASP 142 -9 .228 6 .021 -10 .965 1 .00 0 .00
ATOM 362 C ASP 142 -11, .630 3 .861 -7 .625 1, .00 0, .00
ATOM 363 O ASP 142 -12 .844 3 .708 -7 .756 1, .00 0. .00
ATOM 364 N VAL 143 -10 .884 3 .074 -6 .859 1, .00 0. .00
ATOM 365 H VAL 143 -9 .921 3 .238 -6 .797 1, .00 0, .00
ATOM 366 CA VAL 143 -11. .471 1 .969 -6 .120 1, .00 0. .00
ATOM 36 HA VAL 143 -12 .390 1 .698 -6 .621 1, .00 0. .00
ATOM 368 CB VAL 143 -10. .543 0 .734 -6 .115 1, .00 0. .00
ATOM 369 HB VAL 143 -9 .943 0 .762 -5 .215 1, .00 0. .00
ATOM 370 QG1 VAL 143 -11 .553 -0 .855 -6 .099 1, .00 0. .00
ATOM 371 QG2 VAL 143 -9 .385 0 .756 -7 .598 1, .00 0, .00
ATOM 372 CGI VAL 143 -11, .361 -0, .551 -6. .102 1. .00 0. .00
ATOM 373 1HG1 VAL 143 -11, .661 -0, .778 -5. .089 1. .00 0. .00
ATOM 374 2HG1 VAL 143 -10, .761 -1, .362 -6, .489 1. .00 0. .00
ATOM 375 3HG1 VAL 143 -12, .238 -0, .426 -6, .719 1. ,00 0. .00
ATOM 376 CG2 VAL 143 -9 .605 0 .751 -7 .315 1. .00 0, .00
ATOM 377 1HG2 VAL 143 -9, .944 1 .493 -8 .024 1, .00 0. .00
ATOM 378 2HG2 VAL 143 -9, .604 -0 .221 -7 .784 1, .00 0. .00
ATOM 379 3HG2 VAL 143 -8, .606 0, .996 -6 .987 1, .00 0. .00
ATOM 380 QQG VAL 143 -10, .469 -0, .049 -6 .849 1, .00 0, .00
ATOM 381 C VAL 143 -11, .805 2 .397 -4 .689 1, .00 0, .00
ATOM 382 O VAL 143 -11, .315 3 .416 -4 .203 1, .00 0. .00
ATOM 383 N CYS 144 -12, .672 1 .639 -4 .031 1. .00 0. .00
ATOM 384 H CYS 144 -13, .053 0, .852 -4, .475 1. .00 0 . .00
ATOM 385 CA CYS 144 -13, .103 1, .966 -2, .674 1. ,00 0 . .00
ATOM 386 HA CYS 144 -12, .325 2, .550 -2, .191 1. ,00 0 . .00
ATOM 387 CB CYS 144 -14. .383 2, .800 -2, .768 1. .00 0 . .00
ATOM 388 1HB CYS 144 -15, .119 2, .243 -3. .332 1. ,00 0 . .00
ATOM 389 2HB CYS 144 -14. .164 3, .718 -3, .291 1. .00 0 . .00
ATOM 390 QB CYS 144 -14, .641 2, .981 -3. .311 1. ,00 0 . .00
ATOM 391 SG CYS 144 -15, .135 3, .246 -1, .175 1. .00 0. .00
ATOM 392 C CYS 144 -13, .353 0. .704 -1. .861 1. ,00 0. .00
ATOM 393 O CYS 144 -14, .401 0. .076 -1. .999 1, ,00 0. .00
ATOM 394 N GLU 145 -12, .391 0 .333 -1 .022 1, .00 o. .00
ATOM 395 H GLU 145 -11 .574 0, .866 -0 .957 1, .00 0. .00
ATOM 396 CA GLU 145 -12, .519 -0. .861 -0. .203 1. ,00 0. ,00
ATOM 397 HA GLU 145 -13, .562 -1. .133 -0, .176 1. ,00 0. .00
ATOM 398 CB GLU 145 -11, .743 -2. .004 -0. .831 1. .00 0. .00
ATOM 399 1HB GLU 145 -11. .444 -2. .686 -0. .055 1. .00 0. ,00
ATOM 400 2HB GLU 145 -10, .858 -1, .606 -1, .306 1. .00 0. .00
ATOM 401 QB GLU 145 -11. .151 -2. .146 -0. .680 1. ,00 0. .00
ATOM 402 CG GLU 145 -12, .554 -2. .776 -1. .860 1. .00 0. .00
ATOM 403 1HG GLU 145 -11, .903 -3. .475 -2, .363 1. ,00 0. .00
ATOM 404 2HG GLU 145 -12, .958 -2, .080 -2, .580 1. .00 0. .00
ATOM 405 QG GLU 145 -12. .430 -2, .777 -2. .471 1. ,00 0. ,00
ATOM 406 CD GLU 145 -13. .706 -3. .548 -1. .237 1. .00 0. ,00
ATOM 407 OE1 GLU 145 -14. .253 -4. .440 -1. .913 1. 00 0. 00
ATOM 408 OE2 GLU 145 -14. ,053 -3. ,267 -0. .067 1. 00 0. 00
ATOM 409 C GLU 145 -12. ,037 -0. ,630 1. ,221 1. 00 0. 00
ATOM 410 O GLU 145 -11. ,544 0. ,448 1. ,555 1. 00 0. 00
ATOM 411 N THR 146 -12. .191 -1. .653 2. .052 1. .00 0. ,00
ATOM 412 H THR 146 -12. .593 -2. .481 1, .711 1. .00 0. ,00
ATOM 413 CA THR 146 -11. ,790 -1. .587 3. .451 1. .00 0. .00
ATOM 414 HA THR 146 -12. .101 -0. .627 3. .837 1. .00 0. .00 158 -
ATOM 415 CB THR 146 -12 .505 -2 .693 4 .241 1 .00 0 .00
ATOM 416 HB THR 146 -12 .041 -3 .642 4 .012 1 .00 0 .00
ATOM 417 QG2 THR 146 -12 .455 -2 .461 6 .102 1 .00 0 .00
ATOM 418 OG1 THR 146 -13 .868 -2 .762 3 .868 1 .00 0 .00
ATOM 419 1HG THR 146 -14 .416 -2 .377 4 .577 1 .00 0 .00
ATOM 420 CG2 THR 146 -12 .463 -2 .507 5 .744 1 .00 0 .00
ATOM 421 1HG2 THR 146 -11 .446 -2 .601 6 .093 1 .00 0 .00
ATOM 422 2HG2 THR 146 -13 .078 -3 .259 6 .217 1 .00 0 .00
ATOM 423 3HG2 THR 146 -12 .840 -1 .525 5 .996 1, .00 0 .00
ATOM 424 C THR 146 -10 .272 -1 .708 3 .604 1 .00 0 .00
ATOM 425 O THR 146 -9 .569 -2 .099 2 .671 1 .00 0 .00
ATOM 426 N HIS+ 147 -9 .784 -1 .369 4 .798 1, .00 0 .00
ATOM 427 H HIS+ 147 -10 .411 -1 .067 5 .490 1 .00 0 .00
ATOM 428 CA HIS+ 147 -8 .358 -1 .426 5 .121 1 .00 0 .00
ATOM 429 HA HIS+ 147 -7 .848 -0 .699 4 .508 1 .00 0 .00
ATOM 430 CB HIS+ 147 -8 .150 -1 .066 6 .596 1 .00 0 .00
ATOM 431 1HB HIS+ 147 -8 .125 -1 .977 7 .178 1 .00 0 .00
ATOM 432 2HB HIS+ 147 -8 .977 -0 .458 6 .930 1 .00 0 .00
ATOM 433 QB HIS+ 147 -8 .551 -1 .217 7 .054 1 .00 0 .00
ATOM 434 CG HIS+ 147 -6 .887 -0 .310 6 .872 1 .00 0 .00
ATOM 435 ND1 HIS+ 147 -6 .837 1 .065 6 .969 1 .00 0 .00
ATOM 436 CD2 HIS+ 147 -5 .623 -0 .746 7 .094 1 .00 0 .00
ATOM 437 1HD HIS+ 147 -7 .598 1 .679 6 .851 1 .00 0 .00
ATOM 438 CE1 HIS+ 147 -5 .599 1 .442 7 .240 1 .00 0 .00
ATOM 439 NE2 HIS+ 147 -4 .842 0 .362 7 .321 1, .00 0 .00
ATOM 440 2HD HIS+ 147 -5 .286 -1 .776 7 .078 1, .00 0 .00
ATOM 441 IHE HIS+ 147 -5 .263 2 .461 7 .373 1, .00 0 .00
ATOM 442 2HE HIS+ 147 -3 .912 0 .348 7, .636 1, .00 0 .00
ATOM 443 C HIS+ 147 -7 .769 -2 .809 4 .844 1, .00 0 .00
ATOM 444 O HIS+ 147 -6 .610 -2 .928 4, .457 1, .00 0 .00
ATOM 445 N LEU 148 -8 .570 -3 .850 5, .045 1, .00 0 .00
ATOM 446 H LEU 148 -9 .487 -3 .695 5. .352 1. .00 0 .00
ATOM 447 CA LEU 148 -8 .113 -5 .217 4. .814 1. .00 0 .00
ATOM 448 HA LEU 148 -7 .163 -5 .338 5 .311 1, .00 0 .00
ATOM 449 CB LEU 148 -9 .113 -6 .220 5 .396 1, .00 0 .00
ATOM 450 1HB LEU 148 -9 .847 -6 .446 4. .637 1, .00 0 .00
ATOM 451 2HB LEU 148 -9 .614 -5 .755 6. .232 1, .00 0 .00
ATOM 452 QB LEU 148 -9 .730 -6 .100 5. .435 1. .00 0 .00
ATOM 453 CG LEU 148 -8 .501 -7 .538 5, .874 1. .00 0 .00
ATOM 454 HG LEU 148 -7 .427 -7 .435 5, .918 1. .00 0, .00
ATOM 455 QD1 LEU 148 -9 .115 -7 .967 7, .598 1. .00 0, .00
ATOM 456 QD2 LEU 148 -8. .903 -8 .927 4. .672 1. ,00 0. .00
ATOM 457 CD1 LEU 148 -8. .997 -7 .884 7. .267 1. ,00 0. .00
ATOM 458 1HD1 LEU 148 -10. .046 -8. .139 7. .224 1. ,00 0. .00
ATOM 459 2HD1 LEU 148 -8, .859 -7. .036 7. .921 1. .00 0. .00
ATOM 460 3HD1 LEU 148 -8. .439 -8. .726 7. .648 1. .00 0. .00
ATOM 461 CD2 LEU 148 -8. .827 -8. .661 4. .902 1. .00 0. .00
ATOM 462 1HD2 LEU 148 -8. .677 -9. .613 5. ,389 1. .00 0. ,00
ATOM 463 2HD2 LEU 148 -8. .177 -8. .592 4. ,041 1. 00 0. .00
ATOM 464 3HD2 LEU 148 -9. .855 -8, .577 4. ,585 1. 00 0. ,00
ATOM 465 QQD LEU 148 -9. .009 -8. ,447 6. .135 1. 00 0. .00
ATOM 466 C LEU 148 -7, .924 -5, .480 3. ,325 1. .00 0. .00
ATOM 467 O LEU 148 -6, .977 -6. .149 2. .920 1. .00 0. .00
ATOM 468 N HIS+ 149 -8, .832 -4, .946 2. .519 1. 00 0. ,00
ATOM 469 H HIS+ 149 -9, ,560 -4, ,419 2. .906 1. 00 0. .00
ATOM 470 CA HIS+ 149 -8. ,774 -5. .117 1. .073 1. 00 0. ,00
ATOM 471 HA HIS+ 149 -8. ,770 -6. .178 0. .868 1. 00 0. ,00
ATOM 472 CB HIS+ 149 -10. ,003 -4. .494 0. 423 1. 00 0. ,00
ATOM 473 1HB HIS+ 149 -9. ,712 -3. ,996 -0. 491 1. 00 0. .00
ATOM 474 2HB HIS+ 149 -10, .429 -3. .768 1. .098 1. 00 0. .00
ATOM 475 QB HIS+ 149 -10. .070 -3. .882 0. .304 1. 00 0. .00
ATOM 476 CG HIS+ 149 -11. .069 -5. .488 0. .088 1. 00 0. ,00
ATOM 477 ND1 HIS+ 149 -11. .912 -6. ,035 1. 028 1. 00 0. .00
ATOM 478 CD2 HIS+ 149 -11. .449 -6. ,006 -1. 102 1. 00 0. ,00
ATOM 479 1HD HIS+ 149 -11. .895 -5. .850 1. 990 1. 00 0. .00
ATOM 480 CE1 HIΞ+ 149 -12. .767 -6. .845 0. 431 1. 00 0. 00
ATOM 481 NE2 HIS+ 149 -12. 513 -6. ,845 -0. 868 1. 00 0. 00
ATOM 482 2HD HIS+ 149 -11. 005 -5. 791 -2. 064 1. 00 0. 00
ATOM 483 IHE HIS+ 149 -13. .549 -7. .407 0. 919 1. 00 0. .00
ATOM 484 2HE HIS+ 149 -13. .167 -7. .105 -1. 553 1. 00 0. 00
ATOM 485 C HIS+ 149 -7. 502 -4. .508 0. 502 1. 00 0. 00
ATOM 486 O HIS+ 149 -6. 727 -5. .197 -0. 157 1. 00 0. 00 ooooooooooooooooooooooooooooooooooooooooooooooooooooσoooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo ririririri ririririri riririririririririri rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt rt co oo cn *# o o ro ro rt in < vot ts cN ri cN in cn vD ro in is in co oo fo co co is r*- r ^o H H co vo rro VO in O O ri Ch rO CN Ch VD rO ri ri CO CO VO O^ CN CN OO OO CO fO rO Ch Cs fη fl VD O t VD rO CO IS CN
O ri O O O O ri ri O O ri tN H O r M O r O CN ^ O O C CN CN C ^ ^ ^ ^ ^ VO ^ VO VO i r Is in H ri ri ri O ri O O O ri CN O O O O O ri ri O C C^
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I I I I I I I I I I I I I I I I I I I I I I I I I I I I 1 I I I I I
O O O O O O O O O O O O O O O O O O O O O O O O O ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri CN t C CN CN CN CN CN CN CN CN CN C in w in in iti io in iΛ in in in in in cn in in in in ifi iti io Ln iΛ m ifi ifl in in w in w w
H H ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri H H H H H ri H H ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri H H ri ri ri ri ri ri ri ft & c^ Qj Cfc & Λ Λ ft ft ft cii ft Λ Li it ft CLi Pi Pi Pi Pi rii Pi Λ co ra ra ra
P P B B P B B a c« CJ u cp pp αu u u u u a cp cp p u cp cp o cp uo „ κ 6x u CP CP α u u c u a c c c u a cQ u cp αp cp o cp pp cp cj p a cp cj
160
ATOM 559 1HG2 VAL 153 -6.401 -5, .852 -3 .800 1, .00 0 .00
ATOM 560 2HG2 VAL 153 -6.829 -4, .148 -3 .650 1, .00 0 .00
ATOM 561 3HG2 VAL 153 -6.545 -5, .116 -2 .203 1, .00 0 .00
ATOM 562 QQG VAL 153 -5.426 -4, .576 -4 .118 1, .00 0 .00
ATOM 563 C VAL 153 -2.446 -5, .294 -2 .664 1, .00 0 .00
ATOM 564 O VAL 153 -1.610 -5, .763 -3 .435 1, .00 0 .00
ATOM 565 N ALA 154 -2.161 -4, .411 -1. .729 1, .00 0 .00
ATOM 566 H ALA 154 -2.889 -4, .092 -1 .142 1. .00 0 .00
ATOM 567 CA ALA 154 -0.814 -3, .904 -1 .523 1, .00 0 .00
ATOM 568 HA ALA 154 -0.501 -3, .383 -2 .415 1, .00 0 .00
ATOM 569 QB ALA 154 -0.826 -2. .690 -0 .095 1, .00 0 .00
ATOM 570 CB ALA 154 -0.824 -2, .924 -0 .369 1, .00 0 .00
ATOM 571 1HB ALA 154 -1.842 -2 .642 -0 .143 1 .00 0 .00
ATOM 572 2HB ALA 154 -0.258 -2 .043 -0 .641 1 .00 0 .00
ATOM 573 3HB ALA 154 -0.377 -3 .385 0 .499 1, .00 0 .00
ATOM 574 C ALA 154 0.171 -5 .031 -1 .233 1 .00 0 .00
ATOM 575 O ALA 154 1.235 -5 .119 -1 .850 1 .00 0 .00
ATOM 576 N LYS+ 155 -0.186 -5 .881 -0 .280 1 .00 0 .00
ATOM 577 H LYS+ 155 -1.045 -5 .748 0 .179 1 .00 0 .00
ATOM 578 CA LYS+ 155 0.661 -6 .997 0 .116 1 .00 0 .00
ATOM 579 HA LYS+ 155 1.619 -6 .597 0 .429 1 .00 0 .00
ATOM 580 CB LYS+ 155 0.023 -7 .763 1 .282 1 .00 0 .00
ATOM 581 1HB LYS+ 155 -0.592 -8 .556 0 .877 1 .00 0 .00
ATOM 582 2HB LYS+ 155 -0.607 -7 .085 1 .837 1 .00 0 .00
ATOM 583 QB LYS+ 155 -0.599 -7 .820 1 .357 1 .00 0 .00
ATOM 584 CG LYS+ 155 1.022 -8 .384 2 .251 1 .00 0 .00
ATOM 585 1HG LYS+ 155 0.522 -8 .571 3 .191 1 .00 0 .00
ATOM 586 2HG LYS+ 155 1.833 -7 .689 2 .408 1 .00 0 .00
ATOM 587 QG LYS+ 155 1.178 -8 .130 2 .800 1, .00 0 .00
ATOM 588 CD LYS+ 155 1.595 -9 .693 1 .730 1, .00 0 .00
ATOM 589 1HD LYS+ 155 2.419 -9 .989 2 .363 1, .00 0 .00
ATOM 590 2HD LYS+ 155 1.951 -9 .541 0 .721 1, .00 0 .00
ATOM 591 QD LYS+ 155 2.185 -9 .765 1 .542 1, .00 0 .00
ATOM 592 CE LYS+ 155 0.553 -10 .804 1 .722 1, .00 0 .00
ATOM 593 IHE LYS+ 155 -0.417 -10, .369 1 .519 1, .00 0 .00
ATOM 594 2HE LYS+ 155 0.539 -11 .276 2 .693 1, .00 0 .00
ATOM 595 QE LYS+ 155 0.061 -10, .822 2 .106 1, .00 0 .00
ATOM 596 NZ LYS+ 155 0.846 -11, .832 0 .687 1, .00 0 .00
ATOM 597 1HZ LYS+ 155 1.826 -11, .733 0 .343 1, .00 0 .00
ATOM 598 2HZ LYS+ 155 0.189 -11, .716 -0 .130 1. .00 0 .00
ATOM 599 3HZ LYS+ 155 0.717 -12, .784 1 .076 1, .00 0 .00
ATOM 600 QZ LYS+ 155 0.911 -12, .077 0 .430 1. .00 0 .00
ATOM 601 C LYS+ 155 0.891 -7, .933 -1 .054 1. .00 0. .00
ATOM 602 O LYS+ 155 2.029 -8, .293 -1 .324 1. .00 0. .00
ATOM 603 N GLU 156 -0.181 -8, .331 -1, .737 1. .00 0. .00
ATOM 604 H GLU 156 -1.077 -8, .020 -1, .468 1. ,00 0. .00
ATOM 605 CA GLU 156 -0.064 -9, .234 -2, .871 1. ,00 0. .00
ATOM 606 HA GLU 156 0.401 -10, .141 -2, .511 1. ,00 0, .00
ATOM 607 CB GLU 156 -1.441 -9, .587 -3, .428 1. ,00 0, .00
ATOM 608 1HB GLU 156 -1.318 -10. .025 -4, .407 1. .00 0, .00
ATOM 609 2HB GLU 156 -2.024 -8, .682 -3, .517 1. .00 0, .00
ATOM 610 QB GLU 156 -1.671 -9, .353 -3, .962 1. .00 0, .00
ATOM 611 CG GLU 156 -2.215 -10. .572 -2. .556 1. 00 0, .00
ATOM 612 1HG GLU 156 -2.534 -11. .395 -3. .169 1. 00 0. .00
ATOM 613 2HG GLU 156 -3.083 -10. .070 -2. .157 1. 00 0. .00
ATOM 614 QG GLU 156 -2.808 -10. ,732 -2. .663 1. 00 0, ,00
ATOM 615 CD GLU 156 -1.403 -11. ,118 -1. ,398 1. 00 0. .00
ATOM 616 OE1 GLU 156 -1.698 -10. ,760 -0. ,243 1. 00 0. .00
ATOM 617 OE2 GLU 156 -0.455 -11, .895 -1. .639 1. .00 0, .00
ATOM 618 C GLU 156 0.827 -8, .645 -3, .954 1. .00 0, .00
ATOM 619 0 GLU 156 1.672 -9, .342 -4. .492 1. .00 0, ,00
ATOM 620 N THR 157 0.658 -7, .358 -4. .251 1. .00 0. .00
ATOM 621 H THR 157 -0.030 -6. .840 -3. .772 1. 00 0. ,00
ATOM 622 CA THR 157 1.491 -6. .696 -5. .259 1. .00 0. ,00
ATOM 623 HA THR 157 1.294 -7. .170 -6. ,210 1. 00 0. ,00
ATOM 624 CB THR 157 1.131 -5. .206 -5. .353 1. 00 0. .00
ATOM 625 HB THR 157 1.395 -4. .723 -4. .422 1. 00 0. ,00
ATOM 626 QG2 THR 157 2.013 -4. ,302 -6. ,739 1. 00 0. .00
ATOM 627 OG1 THR 157 -0.260 -5. .035 -5. .564 1. .00 0. .00
ATOM 628 1HG THR 157 -0.750 -5, .415 -4. .821 1. .00 0. .00
ATOM 629 CG2 THR 157 1.844 -4. .476 -6. .472 1. 00 0. ,00
ATOM 630 1HG2 THR 157 1.196 -3. .710 -6. .873 1. .00 0. ,00 161 -
ATOM 631 2HG2 THR 157 2 .098 -5 .177 -7 .255 1 .00 0 .00
ATOM 632 3HG2 THR 157 2 .745 -4, .021 -6 .089 1 .00 0 .00
ATOM 633 C THR 157 2 .980 -6 .871 -4 .922 1 .00 0 .00
ATOM 634 O THR 157 3 .812 -7 .092 -5 .801 1 .00 0 .00
ATOM 635 N CYS 158 3 .305 -6 .783 -3 .637 1 .00 0 .00
ATOM 636 H CYS 158 2 .596 -6 .605 -2 .974 1 .00 0 .00
ATOM 637 CA CYS 158 4, .684 -6. .944 -3, .181 1. .00 0. .00
ATOM 638 HA CYS 158 5, .336 -6. .494 -3. .915 1. .00 0. .00
ATOM 639 CB CYS 158 4, .862 -6, .211 -1, .855 1. .00 0. .00
ATOM 640 1HB CYS 158 5, .758 -6. .553 -1, .373 1. .00 0, .00
ATOM 641 2HB CYS 158 4, .017 -6, .431 -1, .222 1. .00 0 .00
ATOM 642 QB CYS 158 4, .888 -6, .492 -1, .297 1. .00 0 .00
ATOM 643 SG CYS 158 4, .967 -4, .395 -2, .039 1. .00 0, .00
ATOM 644 C CYS 158 5, .062 -8, .426 -3, .051 1. .00 0, .00
ATOM 645 O CYS 158 6 .149 -8, .831 -3, .469 1. .00 0 .00
ATOM 646 N SER 159 4 .167 -9 .222 -2 .467 1 .00 0 .00
ATOM 647 H SER 159 3 .327 -8 .831 -2 .147 1 .00 0 .00
ATOM 648 CA SER 159 4 .388 -10 .657 -2 .270 1 .00 0 .00
ATOM 649 HA SER 159 5 .321 -10, .777 -1. .741 1. .00 0 .00
ATOM 650 CB SER 159 3 .263 -11, .255 -1. .428 1 .00 0 .00
ATOM 651 1HB SER 159 3 .067 -12, .265 -1 .762 1 .00 0 .00
ATOM 652 2HB SER 159 2 .370 -10, .658 -1, .551 1 .00 0 .00
ATOM 653 QB SER 159 2 .719 -11, .461 -1, .656 1, .00 0 .00
ATOM 654 OG SER 159 3 .608 -11, .286 -0 .050 1, .00 0. .00
ATOM 655 HG SER 159 4 .522 -11, .581 0 .041 1 .00 0 .00
ATOM 656 C SER 159 4 .478 -11, .417 -3 .594 1, .00 0. .00
ATOM 657 O SER 159 5 .152 -12, .441 -3 .669 1 .00 0 .00
ATOM 658 N GLU 160 3 .795 -10, .921 -4 .627 1 .00 0 .00
ATOM 659 H GLU 160 3 .264 -10, .102 - .505 1 .00 0 .00
ATOM 660 CA GLU 160 3, .810 -11. .563 -5. .940 1, .00 0, .00
ATOM 661 HA GLU 160 3, .495 -12. .589 -5, .817 1, .00 0, .00
ATOM 662 CB GLU 160 2, .851 -10. .844 -6, .897 1. .00 0, .00
ATOM 663 1HB GLU 160 3, .393 -10. .065 -7, .414 1, .00 0, .00
ATOM 664 2HB GLU 160 2 .057 -10, .393 -6 .322 1 .00 0 .00
ATOM 665 QB GLU 160 2 .725 -10, .229 -6 .868 1 .00 0 .00
ATOM 666 CG GLU 160 2 .220 -11, .752 -7 .940 1 .00 0 .00
ATOM 667 1HG GLU 160 1 .612 -12, .490 -7 .438 1 .00 0 .00
ATOM 668 2HG GLU 160 3 .003 -12, .246 -8 .493 1 .00 0 .00
ATOM 669 QG GLU 160 2 .308 -12, .368 -7 .965 1 .00 0 .00
ATOM 670 CD GLU 160 1 .347 -10 .989 -8 .915 1 .00 0 .00
ATOM 671 OE1 GLU 160 1 .772 -9 .904 -9 .366 1 .00 0 .00
ATOM 672 OE2 GLU 160 0 .240 -11, .474 -9. .226 1, .00 0, .00
ATOM 673 C GLU 160 5 .231 -11, .541 -6, .492 1, .00 0, .00
ATOM 674 O GLU 160 5 .649 -12. .424 -7. .244 1, .00 0, .00
ATOM 675 N LYS+ 161 5 .978 -10, .533 -6, .067 1, .00 0, .00
ATOM 676 H LYS+ 161 5 .587 -9, .888 -5, .444 1. .00 0, .00
ATOM 677 CA LYS+ 161 7 .363 -10. .379 -6, .452 1, .00 0, .00
ATOM 678 HA LYS+ 161 7 .515 -10. .913 -7, .379 1. .00 0, .00
ATOM 679 CB LYS+ 161 7 .709 -8, .895 -6. .646 1, .00 0, .00
ATOM 680 1HB LYS+ 161 8 .071 -8. .499 -5, .709 1. .00 0, .00
ATOM 681 2HB LYS+ 161 6 .811 -8, .365 -6. .924 1. .00 0, .00
ATOM 682 QB LYS+ 161 7 .441 -8 .432 -6 .316 1 .00 0 .00
ATOM 683 CG LYS+ 161 8 .768 -8 .641 -7 .715 1 .00 0 .00
ATOM 684 1HG LYS+ 161 8 .330 -8, .036 -8, .498 1. .00 0, .00
ATOM 685 2HG LYS+ 161 9 .081 -9. .588 -8, .126 1, .00 0, .00
ATOM 686 QG LYS+ 161 8 .706 -8, .812 -8, .312 1, .00 0, .00
ATOM 687 CD LYS+ 161 9 .986 -7, .917 -7, .152 1, .00 0, .00
ATOM 688 1HD LYS+ 161 10 .026 -8, .075 -6, .084 1, .00 0, .00
ATOM 689 2HD LYS+ 161 9 .887 -6, .859 -7, .355 1, .00 0, .00
ATOM 690 QD LYS+ 161 9 .957 -7, .467 -6, .719 1, .00 0, .00
ATOM 691 CE LYS+ 161 11 .285 -8, .416 -7, .777 1, .00 0, .00
ATOM 692 IHE LYS+ 161 12 .098 -8. .218 -7, .091 1, .00 0, .00
ATOM 693 2HE LYS+ 161 11 .455 -7, .878 -8. .699 1, .00 0, .00
ATOM 694 QE LYS+ 161 11 .777 -8, .048 -7, .895 1. .00 0, .00
ATOM 695 NZ LYS+ 161 11. .246 -9. ,878 -8. ,071 1. ,00 0. ,00
ATOM 696 1HZ LYS+ 161 11, .336 -10. .429 -7. ,181 1. ,00 0. ,00
ATOM 697 2HZ LYS+ 161 12, .030 -10. .138 -8. ,703 1. ,00 0. .00
ATOM 698 3HZ LYS+ 161 10, .349 -10. .130 -8. .530 1. .00 0. .00
ATOM 699 QZ LYS+ 161 11 .238 -10, .232 -8, .138 1, .00 0. .00
ATOM 700 C LYS+ 161 8 .232 -11, .003 -5. .364 1. .00 0, .00
ATOM 701 O LYS+ 161 7 .927 -12, .075 -4. .855 1, .00 0, .00
ATOM 702 N SER 162 9 .303 -10, .329 -4, .998 1, .00 0, .00 o
o
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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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- 185
ATOM 1157 C CYS 187 11 .481 -6 .529 1 .299 1 .00 0 .00
ATOM 1158 O CYS 187 10 .674 -7 .453 1 .301 1 .00 0 .00
ATOM 1159 N PRO 188 12 .598 -6 .547 0 .549 1 .00 0 .00
ATOM 1160 CD PRO 188 13 .593 -5 .462 0 .473 1 .00 0 .00
ATOM 1161 CA PRO 188 12 .957 -7 .675 -0 .320 1 .00 0 .00
ATOM 1162 HA PRO 188 12 .216 -7 .834 -1 .091 1 .00 0 .00
ATOM 1163 CB PRO 188 14 .280 -7 .243 -0 .961 1 .00 0 .00
ATOM 1164 1HB PRO 188 14. .286 -7 .529 -2 .003 1, .00 0 .00
ATOM 1165 2HB PRO 188 15 .100 -7 .724 -0 .448 1 .00 0 .00
ATOM 1166 QB PRO 188 14 .693 -7 .626 -1 .226 1 .00 0 .00
ATOM 1167 CG PRO 188 14 .327 -5 .762 -0 .802 1 .00 0 .00
ATOM 1168 1HG PRO 188 13 .835 -5 .287 -1 .638 1 .00 0 .00
ATOM 1169 2HG PRO 188 15 .353 -5 .432 -0 .731 1 .00 0 .00
ATOM 1170 QG PRO 188 14 .594 -5 .359 -1 .185 1 .00 0 .00
ATOM 1171 1HD PRO 188 13 .109 -4 .499 0 .411 1 .00 0 .00
ATOM 1172 2HD PRO 188 1 .268 -5 .492 1 .317 1, .00 0 .00
ATOM 1173 QD PRO 188 13. .689 -4 .995 0 .864 1, .00 0 .00
ATOM 1174 C PRO 188 13. .155 -8 .973 0 .458 1, .00 0. .00
ATOM 1175 O PRO 188 13, .938 -9, .022 1 .409 1, .00 0. .00
ATOM 1176 N LEU 189 12, .447 -10, .010 0 .035 1, .00 0. .00
ATOM 1177 H LEU 189 11, .849 -9, .895 -0 .735 1, .00 0, .00
ATOM 1178 CA LEU 189 12, .533 -11, .317 0 .659 1, .00 0. .00
ATOM 1179 HA LEU 189 13, .436 -11. .350 1, .252 1. .00 0, .00
ATOM 1180 CB LEU 189 11, .320 -11 .559 1 .565 1, .00 0 .00
ATOM 1181 1HB LEU 189 10, .549 -12 .028 0 .970 1, .00 0. .00
ATOM 1182 2HB LEU 189 10, .955 -10 .602 1 .903 1. .00 0. .00
ATOM 1183 QB LEU 189 10, .752 -11, .315 1 .436 1, .00 0. .00
ATOM 1184 CG LEU 189 11, .573 -12, .439 2 .797 1, .00 0, .00
ATOM 1185 HG LEU 189 10. .856 -12, .182 3 .563 1. .00 0, .00
ATOM 1186 QD1 LEU 189 11. .343 -14, .256 2 .379 1. .00 0, .00
ATOM 1187 QD2 LEU 189 13. .297 -12, .141 3. .492 1. .00 0, .00
ATOM 1188 CD1 LEU 189 11. .386 -13, .909 2. .460 1. .00 0. .00
ATOM 1189 1HD1 LEU 189 11. .824 -14, .514 3 .239 1, .00 0, .00
ATOM 1190 2HD1 LEU 189 11. ,872 -14. .126 1, .518 1. ,00 0. ,00
ATOM 1191 3HD1 LEU 189 10. .332 -14. .129 2, .381 1. .00 0. ,00
ATOM 1192 CD2 LEU 189 12. ,967 -12. .198 3. .360 1. ,00 0. ,00
ATOM 1193 1HD2 LEU 189 13. ,695 -12. .707 2. .744 1. ,00 0. ,00
ATOM 1194 2HD2 LEU 189 13. ,018 -12. ,579 4. .368 1. .00 0. ,00
ATOM 1195 3HD2 LEU 189 13. ,176 -11. ,139 3. .363 1. 00 0. .00
ATOM 1196 QQD LEU 189 12. ,320 -13. ,199 2. ,935 1. .00 0. 00
ATOM 1197 C LEU 189 12. .603 -12. .393 -0, .421 1. ,00 0. .00
ATOM 1198 OT1 LEU 189 13. .329 -13. .388 -0, .224 1. .00 0. ,00
ATOM 1199 OT2 LEU 189 11. ,930 -12. .223 -1, .462 1. .00 0. ,00
TER
ENDMDL
MODEL 9
ATOM 1 N SER 124 11 .586 7 .547 6 .241 1, .00 0 .00
ATOM 2 CA SER 124 11 .176 8 .915 6 .644 1 .00 0 .00
ATOM 3 HA SER 124 10 .138 9 .061 6 .389 1 .00 0 .00
ATOM 4 CB SER 124 11 .358 9 .038 8 .157 1 .00 0 .00
ATOM 5 1HB SER 124 10 .493 9 .523 8 .585 1, .00 0 .00
ATOM 6 2HB SER 124 12 .241 9 .629 8 .364 1. .00 0 .00
ATOM 7 QB SER 124 11 .367 9, .576 8 .475 1, .00 0, .00
ATOM 8 OG SER 124 11 .511 7, .756 8, .751 1, .00 0, .00
ATOM 9 HG SER 124 11 .678 7, .856 9, .697 1. .00 0, .00
ATOM 10 C SER 124 12 .025 9 .937 5 .917 1, .00 0 .00
ATOM 11 O SER 124 12 .757 10, .714 6 .528 1, .00 0 .00
ATOM 12 1HT SER 124 12 .389 7, .596 5 .571 1, .00 0 .00
ATOM 13 2HT SER 124 10 .797 7, .054 5, .782 1, .00 0, .00
ATOM 14 3HT SER 124 11, .882 7, .006 7, .079 1. .00 0, .00
ATOM 15 N ASP 125 11, .945 9. .881 4, .603 1. .00 0, .00
ATOM 16 H ASP 125 11, .363 9, .208 4, .192 1. .00 0. .00
ATOM 17 CA ASP 125 12 .721 10, .739 3 .733 1, .00 0 .00
ATOM 18 HA ASP 125 13 .150 11, .537 4, .319 1, .00 0, .00
ATOM 19 CB ASP 125 13 .836 9. .895 3, .109 1, .00 0, .00
ATOM 20 1HB ASP 125 14, .751 10, .048 3, .659 1. .00 0, .00
ATOM 21 2HB ASP 125 13, .979 10, .196 2. .081 1. .00 0, .00
ATOM 22 QB ASP 125 14, .365 10, .122 2. .870 1. .00 0, .00
ATOM 23 CG ASP 125 13. .496 8. ,413 3. .137 1. 00 0. ,00
ATOM 24 OD1 ASP 125 13. .685 7. ,772 4. .199 1. 00 0. ,00
ATOM 25 OD2 ASP 125 12. .991 7. .905 2. .120 1. ,00 0. .00
ATOM 26 C ASP 125 11. ,825 11. .314 2. .650 1. .00 0. ,00 186
ATOM 27 O ASP 125 11 .541 12 .510 2 .628 1 .00 0 .00
ATOM 28 N ALA 126 11 .370 10 .442 1 .764 1 .00 0 .00
ATOM 29 H ALA 126 11 .628 9 .497 1 .848 1 .00 0 .00
ATOM 30 CA ALA 126 10 .490 10 .843 0 .681 1 .00 0 .00
ATOM 31 HA ALA 126 10 .289 11 .899 0 .789 1 .00 0 .00
ATOM 32 QB ALA 126 11 .332 10 .566 -0 .981 1 .00 0 .00
ATOM 33 CB ALA 126 11 .170 10 .619 -0 .664 1 .00 0 .00
ATOM 34 1HB ALA 126 11 .740 9 .701 -0 .631 1 .00 0 .00
ATOM 35 2HB ALA 126 11 .833 11 .446 -0 .873 1 .00 0 .00
ATOM 36 3HB ALA 126 10 .423 10 .552 -1 .440 1 .00 0 .00
ATOM 37 C ALA 126 9 .176 10 .078 0 .749 1 .00 0 .00
ATOM 38 O ALA 126 8 .888 9 .402 1 .737 1 .00 0 .00
ATOM 39 N LEU 127 8 .387 10 .185 -0 .310 1 .00 0 .00
ATOM 40 H LEU 127 8 .676 10 .735 -1 .063 1 .00 0 .00
ATOM 41 CA LEU 127 7 .102 9 .506 -0 .386 1 .00 0 .00
ATOM 42 HA LEU 127 6, .832 9, .181 0 .605 1. .00 0 .00
ATOM 43 CB LEU 127 6 .040 10, .469 -0 .916 1, .00 0, .00
ATOM 44 1HB LEU 127 6 .023 10, .381 -1 .992 1, .00 0, .00
ATOM 45 2HB LEU 127 6 .336 11, .475 -0 .658 1, .00 0. .00
ATOM 46 QB LEU 127 6 .179 10, .928 -1 .325 1, .00 0 .00
ATOM 47 CG LEU 127 4, .623 10. .234 -0 .395 1, .00 0 .00
ATOM 48 HG LEU 127 4 .348 9, .202 -0 .565 1, .00 0 .00
ATOM 49 QD1 LEU 127 4 .533 10, .561 1 .454 1, .00 0 .00
ATOM 50 QD2 LEU 127 3 .396 11. .324 -1 .313 1, .00 0 .00
ATOM 51 CD1 LEU 127 4 .551 10, .499 1 .100 1. .00 0, .00
ATOM 52 1HD1 LEU 127 4 .191 11, .502 1 .270 1, .00 0 .00
ATOM 53 2HD1 LEU 127 5 .534 10, .390 1 .533 1. .00 0, .00
ATOM 54 3HD1 LEU 127 3 .875 9, .791 1 .557 1, .00 0, .00
ATOM 55 CD2 LEU 127 3 .632 11, .116 -1 .138 1. .00 0 .00
ATOM 56 1HD2 LEU 127 3, .879 11, .131 -2 .189 1, .00 0, .00
ATOM 57 2HD2 LEU 127 3 .675 12, .120 -0 .743 1, .00 0 .00
ATOM 58 3HD2 LEU 127 2 .634 10. .721 -1 .009 1, .00 0 .00
ATOM 59 QQD LEU 127 3 .964 10, .942 0 .070 1, .00 0 .00
ATOM 60 C LEU 127 7 .203 8, .295 -1 .306 1, .00 0, .00
ATOM 61 O LEU 127 6 .195 7, .751 -1 .756 1, .00 0 .00
ATOM 62 N LEU 128 8 .429 7, .886 -1 .595 1, .00 0 .00
ATOM 63 H LEU 128 9 .191 8, .363 -1 .215 1, .00 0 .00
ATOM 64 CA LEU 128 8 .666 6, .753 -2 .470 1, .00 0 .00
ATOM 65 HA LEU 128 7 .721 6, .262 -2 .639 1, .00 0 .00
ATOM 66 CB LEU 128 9 .230 7, .248 -3 .815 1, .00 0, .00
ATOM 67 1HB LEU 128 10 .309 7, .236 -3 .747 1, .00 0, .00
ATOM 68 2HB LEU 128 8 .913 8, .271 -3 .953 1, .00 0 .00
ATOM 69 QB LEU 128 9 .611 7, .753 -3 .850 1, .00 0 .00
ATOM 70 CG LEU 128 8 .823 6, .451 -5 .070 1, .00 0 .00
ATOM 71 HG LEU 128 8 .415 7. .139 -5 .797 1, .00 0 .00
ATOM 72 QD1 LEU 128 10 .315 5, .621 -5 .855 1, .00 0 .00
ATOM 73 QD2 LEU 128 7 .489 5, .181 -4 .678 1, .00 0 .00
ATOM 74 CD1 LEU 128 10 .029 5, .780 -5 .705 1, .00 0 .00
ATOM 75 1HD1 LEU 128 9 .929 4, .708 -5 .624 1, .00 0 .00
ATOM 76 2HD1 LEU 128 10 .928 6, .097 -5 .196 1, .00 0 .00
ATOM 77 3HD1 LEU 128 10 .088 6, .059 -6 .747 1, .00 0 .00
ATOM 78 CD2 LEU 128 7 .745 5, .424 -4 .753 1. .00 0 .00
ATOM 79 1HD2 LEU 128 8 .102 4, .749 -3 .989 1, .00 0 .00
ATOM 80 2HD2 LEU 128 7 .509 4, .864 -5 .646 1, .00 0 .00
ATOM 81 3HD2 LEU 128 6 .858 5, .930 -4 .401 1, .00 0 .00
ATOM 82 QQD LEU 128 8 .902 5, .401 -5 .267 1, .00 0 .00
ATOM 83 c LEU 128 9 .626 5. .769 -1 .798 1, .00 0 .00
ATOM 84 O LEU 128 9 .724 5. .735 -0 .574 1, .00 0 .00
ATOM 85 N VAL 129 10. .318 4. ,975 -2, .607 1. .00 0. .00
ATOM 86 H VAL 129 10. .182 5. ,060 -3, .572 1. ,00 0, .00
ATOM 87 CA VAL 129 11, .268 3. .977 -2, .116 1. .00 0, .00
ATOM 88 HA VAL 129 10, .717 3. .248 -1, .545 1. .00 0, .00
ATOM 89 CB VAL 129 11, .944 3. ,254 -3, .306 1. ,00 0, .00
ATOM 90 HB VAL 129 12, .382 4. ,004 -3, .949 1. .00 0, .00
ATOM 91 QG1 VAL 129 13, .323 2. ,111 -2, .730 1. ,00 0. .00
ATOM 92 QG2 VAL 129 10, .668 2. ,300 -4, .305 1. ,00 0, .00
ATOM 93 CGI VAL 129 13, .058 2. ,329 -2, .841 1. ,00 0, .00
ATOM 94 1HG1 VAL 129 13. .516 1. .856 -3. .697 1. ,00 0. .00
ATOM 95 2HG1 VAL 129 12. ,652 1. 573 -2. .185 1. 00 0. .00
ATOM 96 3HG1 VAL 129 13. ,803 2. 904 -2. .308 1. 00 0. .00
ATOM 97 CG2 VAL 129 10. ,912 2. 482 -4. .115 1. 00 0. .00
ATOM 98 1HG2 VAL 129 11. ,011 2. 738 -5. .159 1. 00 0. .00 O O O O O O O OO O O O O O O OO O O O O O O o ooooooooooooσooooooooooooooooooooo O O O O O OO OO O O O O O O OO O O o o o o o ooooooooooooσooooooooooooooooooooo
O O O O O O O O O O O O O O O OO O O ooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooo o o o oooooooooooooooooσooooooooooooooooooooo oooooooooooooooooooooooooooooo o o o ooooooooooooooooooooooooooooooooooooooo
H H ri ri ri rt rt rt rt rt rt rt rt ri ri ri ri ri rt rt rt rt rt rt rt rtrtrtrtrtrtrtrtrt
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+ + + + + + + + + + + + + + + + + + + + + + + + + + +
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CD a a O ft rt rt m β PP P CD R R rt rt PP PP CP PP CD D O CD P P P P M M H H N N N N N rt rt m CP PQ CP CD
CP CP a u p a υ CJ u cp cp σu cp cp cp cp σu o a cp u K u cP K σu p p u p a cP u cP u cP Cp σu cP Cp σu pp cp σu cP Cp σa cP K W σu p a cp ϋ cp u cP CP σω cj riririririririririririririririririririririririri 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2222222222 P O P O P O P P P P P P P P P PPPPPPPPPP f f f ft ft t f t f t f f t t rtrtrtrtrtrtrtrtrtrt
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O OO OO OO O O o o o o o o o o o ooooooooooooooooooooooooooooooo o o o o o o o o o o o o o o O OO OO OO O O o o o o o o o o o ooooooooooooooooσoooooooooooooo o o o o o o o o o o o o o o
194
ATOM 603 N GLU 156 -0 .185 -8, .588 -1 .965 1. .00 0 .00
ATOM 604 H GLU 156 -1 .098 -8, .340 -1 .671 1, .00 0 .00
ATOM 605 CA GLU 156 0 .003 -9, .467 -3 .125 1, .00 0, .00
ATOM 606 HA GLU 156 0 .524 -10 .342 -2 .760 1 .00 0 .00
ATOM 607 CB GLU 156 -1 .304 -9, .936 -3 .784 1. .00 0 .00
ATOM 608 1HB GLU 156 -1 .587 -10 .885 -3 .350 1 .00 0 .00
ATOM 609 2HB GLU 156 -1 .120 -10 .085 -4 .837 1 .00 0 .00
ATOM 610 QB GLU 156 -1 .354 -10 .485 -4 .093 1. .00 0 .00
ATOM 611 CG GLU 156 -2 .481 -8, .996 -3 .653 1. .00 0 .00
ATOM 612 1HG GLU 156 -2 .705 -8 .578 -4 .624 1 .00 0 .00
ATOM 613 2HG GLU 156 -2 .225 -8 .202 -2 .967 1, .00 0 .00
ATOM 614 QG GLU 156 -2 .465 -8, .390 -3 .795 1, .00 0 .00
ATOM 615 CD GLU 156 -3 .710 -9 .710 -3 .137 1 .00 0 .00
ATOM 616 OE1 GLU 156 -3 .561 -10 .843 -2 .628 1 .00 0 .00
ATOM 617 OE2 GLU 156 -4 .809 -9 .135 -3 .216 1 .00 0 .00
ATOM 618 C GLU 156 0 .896 -8, .818 -4 .164 1, .00 0 .00
ATOM 619 O GLU 156 1 .771 -9, .476 -4 .698 1, .00 0, .00
ATOM 620 N THR 157 0 .694 -7, .532 -4 .432 1. .00 0, .00
ATOM 621 H THR 157 -0 .022 -7 .045 -3 .961 1, .00 0 .00
ATOM 622 CA THR 157 1 .529 -6. .826 -5 .404 1, .00 0 .00
ATOM 623 HA THR 157 1 .360 -7, .278 -6 .371 1, .00 0, .00
ATOM 624 CB THR 157 1 .138 -5, .344 -5, .466 1. .00 0, .00
ATOM 625 HB THR 157 1 .374 -4, .881 -4 .518 1. .00 0 .00
ATOM 626 QG2 THR 157 2 .029 -4, .390 -6 .809 1, .00 0, .00
ATOM 627 OG1 THR 157 -0 .253 -5 .198 -5 .699 1. .00 0 .00
ATOM 628 1HG THR 157 -0 .747 -5 .548 -4 .945 1. .00 0 .00
ATOM 629 CG2 THR 157 1 .858 -4, .573 -6 .551 1, .00 0, .00
ATOM 630 1HG2 THR 157 2 .641 -5. .188 -6 .972 1. .00 0, .00
ATOM 631 2HG2 THR 157 2 .290 -3 .678 -6 .130 1. .00 0 .00
ATOM 632 3HG2 THR 157 1 .156 -4 .304 -7 .327 1, .00 0, .00
ATOM 633 C THR 157 3 .018 -6. .974 -5 .052 1. .00 0, .00
ATOM 634 O THR 157 3 .864 -7 .161 -5 .927 1, .00 0 .00
ATOM 635 N CYS 158 3 .328 -6, .895 -3 .764 1, .00 0, .00
ATOM 636 H CYS 158 2 .610 -6, .741 -3 .107 1, .00 0, .00
ATOM 637 CA CYS 158 4 .705 -7. .026 -3 .295 1. .00 0. .00
ATOM 638 HA CYS 158 5 .349 -6, .549 -4, .019 1. .00 0, .00
ATOM 639 CB CYS 158 4. .854 -6. .299 -1, .965 1. .00 0. .00
ATOM 640 1HB CYS 158 5 .759 -6, .614 -1 .483 1. .00 0, .00
ATOM 641 2HB CYS 158 4 .016 -6, .550 -1 .335 1. .00 0, .00
ATOM 642 QB CYS 158 4 .887 -6 .582 -1 .409 1, .00 0, .00
ATOM 643 SG CYS 158 4 .902 -4, .478 -2 .137 1. .00 0, .00
ATOM 644 C CYS 158 5 .133 -8, .496 -3 .175 1. ,00 0, .00
ATOM 645 O CYS 158 6 .229 -8, .856 -3, .609 1. ,00 0, .00
ATOM 646 N SER 159 4 .281 -9, .340 -2 .583 1, .00 0, .00
ATOM 647 H SER 159 3 .427 -8, .998 -2, .244 1. ,00 0, .00
ATOM 648 CA SER 159 4 .593 -10, .763 -2 .411 1. .00 0, .00
ATOM 649 HA SER 159 5 .575 -10 .823 -1 .965 1, .00 0, .00
ATOM 650 CB SER 159 3 .588 -11, .435 -1 .470 1. .00 0. .00
ATOM 651 1HB SER 159 3 .747 -11 .076 -0 .464 1, .00 0 .00
ATOM 652 2HB SER 159 3 .740 -12 .505 -1 .497 1. .00 0, .00
ATOM 653 QB SER 159 3, .743 -11, .791 -0, .980 1. .00 0. .00
ATOM 654 OG SER 159 2, .250 -11. ,156 -1. .851 1. 00 0. ,00
ATOM 655 HG SER 159 2 .195 -11. .109 -2, .814 1. ,00 0. .00
ATOM 656 C SER 159 4. .632 -11. .506 -3, .749 1. .00 0. ,00
ATOM 657 O SER 159 5. .245 -12. ,566 -3, .848 1. 00 0. .00
ATOM 658 N GLU 160 3. .989 -10. .942 -4. .775 1. 00 0. 00
ATOM 659 H GLU 160 3. .521 -10, .088 -4, .638 1. 00 0. ,00
ATOM 660 CA GLU 160 3, .977 -11. .547 -6, .107 1. 00 0. ,00
ATOM 661 HA GLU 160 3 .651 -12. .573 -6 .015 1. .00 0. .00
ATOM 662 CB GLU 160 3. .024 -10. .780 -7, .033 1. ,00 0. ,00
ATOM 663 1HB GLU 160 3, .417 -9. .785 -7, .185 1. 00 0. ,00
ATOM 664 2HB GLU 160 2. .059 -10. .704 -6, .554 1. .00 0. .00
ATOM 665 QB GLU 160 2 .738 -10. .245 -6, .869 1. 00 0. ,00
ATOM 666 CG GLU 160 2. .827 -11. .420 -8, .399 1. 00 0. ,00
ATOM 667 1HG GLU 160 1, .768 -11. .495 -8, .600 1. 00 0. 00
ATOM 668 2HG GLU 160 3 .263 -12. .408 -8, .386 1. 00 0. ,00
ATOM 669 QG GLU 160 2. .515 -11. .952 -8, .493 1. 00 0. ,00
ATOM 670 CD GLU 160 3 .477 -10, .619 -9 .503 1. ,00 0. .00
ATOM 671 OE1 GLU 160 3, .862 -9. .457 -9. ,249 1. 00 0. 00
ATOM 672 OE2 GLU 160 3. .644 -11. .155 -10. ,614 1. 00 0. 00
ATOM 673 C GLU 160 5. .391 -11. .514 -6. .671 1. 00 0. 00
ATOM 674 O GLU 160 5, .786 -12. ,340 -7, .497 1. 00 0. 00 195
ATOM 675 N LYS+ 161 6 .153 -10 .552 -6, .185 1, .00 0, .00
ATOM 676 H LYS+ 161 5 .778 -9 .944 -5, .516 1, .00 0, .00
ATOM 677 CA LYS+ 161 7. .527 -10 .386 -6 .581 1 .00 0 .00
ATOM 678 HA LYS+ 161 7. .687 -10 .948 -7 .489 1, .00 0 .00
ATOM 679 CB LYS+ 161 7 .833 -8 .904 -6 .828 1, .00 0 .00
ATOM 680 1HB LYS+ 161 8 .189 -8 .468 -5, .905 1, .00 0. .00
ATOM 681 2HB LYS+ 161 6 .920 -8 .407 -7 .118 1 .00 0 .00
ATOM 682 QB LYS+ 161 7. .554 -8 .438 -6 .511 1, .00 0 .00
ATOM 683 CG LYS+ 161 8 .880 -8 .657 -7 .909 1, .00 0 .00
ATOM 684 1HG LYS+ 161 9, .846 -8 .972 -7, .537 1. .00 0, .00
ATOM 685 2HG LYS+ 161 8 .908 -7 .602 -8 .133 1. .00 0 .00
ATOM 686 QG LYS+ 161 9 .377 -8 .287 -7 .835 1, .00 0 .00
ATOM 687 CD LYS+ 161 8 .569 -9 .425 -9, .189 1, .00 0, .00
ATOM 688 1HD LYS+ 161 8, .518 -10 .480 -8, .960 1, .00 0, .00
ATOM 689 2HD LYS+ 161 9 .362 -9 .248 -9 .903 1 .00 0. .00
ATOM 690 QD LYS+ 161 8 .940 -9 .864 -9 .431 1, .00 0 .00
ATOM 691 CE LYS+ 161 7 .246 -8 .984 -9, .803 1, .00 0, .00
ATOM 692 IHE LYS+ 161 7 .445 -8 .500 -10, .749 1, .00 0, .00
ATOM 693 2HE LYS+ 161 6. .772 -8. .280 -9, .134 1, .00 0, .00
ATOM 694 QE LYS+ 161 7 .108 -8 .390 -9 .941 1, .00 0, .00
ATOM 695 NZ LYS+ 161 6 .322 -10 .129 -10, .028 1, .00 0, .00
ATOM 696 1HZ LYS+ 161 6 .351 -10 .436 -11, .018 1, .00 0, .00
ATOM 697 2HZ LYS+ 161 5. .333 -9 .845 -9, .801 1. .00 0. .00
ATOM 698 3HZ LYS+ 161 6 .575 -10 .932 -9 .417 1, .00 0 .00
ATOM 699 QZ LYS+ 161 6 .086 -10 .405 -10, .078 1, .00 0, .00
ATOM 700 C LYS+ 161 8. .412 -10 .952 -5, .481 1, .00 0. .00
ATOM 701 O LYS+ 161 8, .120 -12. .006 -4, .924 1. .00 0, .00
ATOM 702 N SER 162 9, .484 -10, .260 -5, .162 1. ,00 0, .00
ATOM 703 H SER 162 9 .676 -9 .426 -5 .629 1, .00 0 .00
ATOM 704 CA SER 162 10 .381 -10 .718 -4 .125 1, .00 0 .00
ATOM 705 HA SER 162 10 .037 -11 .684 -3 .794 1, .00 0 .00
ATOM 706 CB SER 162 11 .796 -10 .860 -4 .686 1. .00 0, .00
ATOM 707 1HB SER 162 12 .124 -11 .884 -4 .572 1 .00 0 .00
ATOM 708 2HB SER 162 12 .463 -10 .208 -4 .138 1, .00 0 .00
ATOM 709 QB SER 162 12 .293 -11 .046 -4 .355 1, .00 0, .00
ATOM 710 OG SER 162 11 .835 -10 .511 -6, .066 1, .00 0, .00
ATOM 711 HG SER 162 12 .645 -10 .850 -6, .455 1, .00 0, .00
ATOM 712 C SER 162 10, .385 -9 .761 -2, .937 1. .00 0. .00
ATOM 713 O SER 162 11 .445 -9 .377 -2 .458 1, .00 0 .00
ATOM 714 N THR 163 9 .207 -9 .361 -2, .457 1, .00 0, .00
ATOM 715 H THR 163 8 .372 -9 .680 -2, .870 1, .00 0, .00
ATOM 716 CA THR 163 9 .145 -8, .451 -1, .317 1. .00 0, .00
ATOM 717 HA THR 163 10 .065 -8 .561 -0 .758 1, .00 0 .00
ATOM 718 CB THR 163 9 .019 -6 .995 -1, .767 1, .00 0, .00
ATOM 719 HB THR 163 8 .913 -6 .380 -0, .879 1, .00 0, .00
ATOM 720 QG2 THR 163 10 .489 -6 .353 -2, .735 1, .00 0, .00
ATOM 721 OG1 THR 163 7. .872 -6, .816 -2, .575 1. ,00 0. .00
ATOM 722 1HG THR 163 7 .665 -7 .643 -3, .031 1, .00 0, .00
ATOM 723 CG2 THR 163 10 .206 -6 .475 -2, .549 1, .00 0. .00
ATOM 724 1HG2 THR 163 10. .767 -5 .785 -1, .937 1. ,00 0. .00
ATOM 725 2HG2 THR 163 9. .859 -5, .969 -3, .437 1. .00 0, .00
ATOM 726 3HG2 THR 163 10 .841 -7 .304 -2, .831 1, .00 0, .00
ATOM 727 C THR 163 7 .978 -8 .783 -0, .395 1, .00 0. .00
ATOM 728 O THR 163 7. .013 -9, .435 -0, .789 1. ,00 0. .00
ATOM 729 N ASN 164 8, .075 -8, .308 0. .836 1. ,00 0. ,00
ATOM 730 H ASN 164 8 .875 -7 .789 1, .081 1. .00 0, .00
ATOM 731 CA ASN 164 7 .033 -8 .528 1. .840 1. ,00 0. .00
ATOM 732 HA ASN 164 6 .192 -9 .008 1 .349 1, .00 0, .00
ATOM 733 CB ASN 164 7 .553 -9 .430 2, .965 1. .00 0, .00
ATOM 734 1HB ASN 164 7 .366 -10 .459 2, .706 1. ,00 0, .00
ATOM 735 2HB ASN 164 7. .032 -9 .193 3, .881 1. ,00 0, .00
ATOM 736 QB ASN 164 7 .199 -9 .826 3, .294 1. .00 0, .00
ATOM 737 CG ASN 164 9 .042 -9 .259 3, .200 1. .00 0, .00
ATOM 738 OD1 ASN 164 9 .764 -10 .229 3, .385 1. .00 0. .00
ATOM 739 ND2 ASN 164 9. .502 -8, .015 3, .208 1. ,00 0. .00
ATOM 740 1HD2 ASN 164 8 .858 -7 .285 3, .083 1. .00 0, .00
ATOM 741 2HD2 ASN 164 10 .464 -7 .878 3, .280 1. .00 0, .00
ATOM 742 QD2 ASN 164 9. .661 -7, .582 3, .182 1. .00 0. .00
ATOM 743 C ASN 164 6, .577 -7, .198 2. .431 1. ,00 0. ,00
ATOM 744 O ASN 164 7. .404 -6, .341 2. .738 1. .00 0. .00
ATOM 745 N LEU 165 5. .272 -7, .024 2, .591 1. ,00 0. .00
ATOM 746 H LEU 165 4. .658 -7, .742 2. .332 1. ,00 0. ,00 196 -
ATOM 747 CA LEU 165 4 .728 -5 .784 3 .148 1 .00 0 .00
ATOM 748 HA LEU 165 5 .208 -4 .950 2 .655 1 .00 0 .00
ATOM 749 CB LEU 165 3 .219 -5 .702 2 .913 1 .00 0 .00
ATOM 750 1HB LEU 165 2 .730 -5 .592 3 .867 1 .00 0 .00
ATOM 751 2HB LEU 165 2 .891 -6 .627 2 .462 1 .00 0 .00
ATOM 752 QB LEU 165 2 .810 -6 .110 3 .165 1 .00 0 .00
ATOM 753 CG LEU 165 2 .767 -4 .554 2 .031 1 .00 0 .00
ATOM 754 HG LEU 165 3 .302 -3 .657 2 .309 1 .00 0 .00
ATOM 755 QD1 LEU 165 3 .152 -4 .932 0 .241 1 .00 0 .00
ATOM 756 QD2 LEU 165 0 .930 -4 .238 2 .266 1 .00 0 .00
ATOM 757 CD1 LEU 165 3 .079 -4 .859 0 .586 1 .00 0 .00
ATOM 758 1HD1 LEU 165 3 .362 -5 .896 0 .490 1 .00 0 .00
ATOM 759 2HD1 LEU 165 3 .890 -4 .230 0 .251 1 .00 0 .00
ATOM 760 3HD1 LEU 165 2 .204 -4 .668 -0 .019 1 .00 0 .00
ATOM 761 CD2 LEU 165 1 .283 -4 .299 2 .221 1 .00 0 .00
ATOM 762 1HD2 LEU 165 1 .016 -3 .364 1 .750 1. .00 0 .00
ATOM 763 2HD2 LEU 165 1 .057 -4 .248 3 .276 1. .00 0 .00
ATOM 764 3HD2 LEU 165 0 .718 -5 .102 1 .771 1. .00 0 .00
ATOM 765 QQD LEU 165 2 .041 -4 .585 1 .253 1. .00 0 .00
ATOM 766 C LEU 165 5 .005 -5 .682 4 .636 1. .00 0 .00
ATOM 767 O LEU 165 4 .658 -6 .576 5 .405 1. .00 0 .00
ATOM 768 N HIS+ 166 5 .617 -4, .579 5 .030 1. .00 0. .00
ATOM 769 H HIS+ 166 5 .859 -3 .900 4 .364 1, .00 0 .00
ATOM 770 CA HIS+ 166 5 .932 -4 .337 6 .424 1, .00 0 .00
ATOM 771 HA HIS+ 166 5 .629 -5 .205 6 .990 1, .00 0 .00
ATOM 772 CB HIS+ 166 7 .442 -4 .126 6 .594 1, .00 0 .00
ATOM 773 1HB HIS+ 166 7 .743 -3 .264 6 .013 1, .00 0 .00
ATOM 774 2HB HIS+ 166 7 .965 -4 .997 6 .232 1, .00 0 .00
ATOM 775 QB HIS+ 166 7 .854 -4, .131 6 .123 1. .00 0. .00
ATOM 776 CG HIS+ 166 7. .868 -3, .892 8 .011 1. .00 0, .00
ATOM 777 ND1 HIS+ 166 7. .812 -4, .859 8, .991 1. ,00 0. .00
ATOM 778 CD2 HIS+ 166 8 .348 -2 .781 8 .608 1, .00 0 .00
ATOM 779 1HD HIS+ 166 7 .500 -5 .781 8 .871 1, .00 0 .00
ATOM 780 CE1 HIS+ 166 8 .241 -4 .346 10 .133 1, .00 0 .00
ATOM 781 NE2 HIS+ 166 8 .573 -3, .082 9 .925 1. .00 0 .00
ATOM 782 2HD HIS+ 166 8 .508 -1, .818 8, .132 1. .00 0. .00
ATOM 783 IHE HIS+ 166 8 .308 -4, .870 11 .075 1. .00 0. .00
ATOM 784 2HE HIS+ 166 8. .710 -2, .417 10, .632 1. .00 0. .00
ATOM 785 C HIS+ 166 5. .161 -3, .120 6, .931 1. .00 0, .00
ATOM 786 O HIS+ 166 4, .510 -3. .180 7, .975 1. .00 0, .00
ATOM 787 N ASP 167 5, .236 -2. .019 6, .185 1. .00 0. .00
ATOM 788 H ASP 167 5 .771 -2, .034 5 .360 1. .00 0, .00
ATOM 789 CA ASP 167 4 .546 -0 .786 6 .577 1. .00 0, .00
ATOM 790 HA ASP 167 4. .050 -0 .976 7 .516 1. .00 0, .00
ATOM 791 CB ASP 167 5. .541 0, .368 6, .773 1. .00 0. .00
ATOM 792 1HB ASP 167 5 .118 1, .079 7, .468 1. .00 0, .00
ATOM 793 2HB ASP 167 5. .700 0, .857 5, .824 1. ,00 0, .00
ATOM 794 QB ASP 167 5. .409 0, .968 6, .646 1. ,00 0. .00
ATOM 795 CG ASP 167 6 .885 -0 .077 7 .307 1. .00 0, .00
ATOM 796 OD1 ASP 167 7 .100 0, .025 8 .532 1. .00 0, .00
ATOM 797 OD2 ASP 167 7 .728 -0 .526 6 .499 1. ,00 0, .00
ATOM 798 C ASP 167 3 .501 -0, .367 5, .548 1. ,00 0, .00
ATOM 799 O ASP 167 3, .795 0, .382 4, .620 1. ,00 0. .00
ATOM 800 N TYR 168 2, .279 -0, .844 5, .721 1. ,00 0. .00
ATOM 801 H TYR 168 2, .103 -1, .428 6. .487 1. ,00 0. .00
ATOM 802 CA TYR 168 1, .179 -0, .503 4. .818 1. ,00 0. ,00
ATOM 803 HA TYR 168 1, .602 -0, .241 3. .851 1. 00 0. ,00
ATOM 804 CB TYR 168 0. .233 -1. .696 4. .647 1. 00 0. ,00
ATOM 805 1HB TYR 168 0 .709 -2, .433 4, .022 1. .00 0. .00
ATOM 806 2HB TYR 168 -0. .673 -1. .358 4, .168 1. .00 0. .00
ATOM 807 QB TYR 168 0. .018 -1, .896 4, .095 1. .00 0. .00
ATOM 808 QD TYR 168 -0. .198 -2, .438 6, .106 1. .00 0. ,00
ATOM 809 QE TYR 168 -0, .826 -3, .500 8. .231 1. .00 0. ,00
ATOM 810 QR TYR 168 -0, .512 -2, .969 7. .169 1. 00 0. ,00
ATOM 811 CG TYR 168 -0, .154 -2. .361 5. .953 1. 00 0. ,00
ATOM 812 CD1 TYR 168 -1, .370 -2. ,078 6. .562 1. 00 0. .00
ATOM 813 1HD TYR 168 -2. .044 -1. ,380 6. ,088 1. 00 0. 00
ATOM 814 CE1 TYR 168 -1, .726 -2, .673 7. .757 1. .00 0. ,00
ATOM 815 IHE TYR 168 -2. ,676 -2. ,440 8. ,215 1. 00 0. 00
ATOM 816 CZ TYR 168 -0. ,863 -3. ,563 8. .359 1. 00 0. 00
ATOM 817 CE2 TYR 168 0. ,349 -3. ,863 7. 775 1. 00 0. 00
ATOM 818 2HE TYR 168 1. ,025 -4. ,560 8. 247 1. 00 0. 00
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ATOM 49 QD1 LEU 127 4 .595 11 .285 0 .513 1 .00 0 .00
ATOM SO QD2 LEU 127 3 .881 10 .525 -2 .395 1, .00 0 .00
ATOM 51 CD1 LEU 127 4 .674 11 .069 0 .236 1 .00 0 .00
ATOM 5 1HD1 LEU 127 4 .870 10 .551 1 .163 1 .00 0 .00
ATOM 53 2HD1 LEU 127 3 .631 11 .346 0 .192 1 .00 0 .00
ATOM 54 3HD1 LEU 127 5 .285 11 .957 0 .182 1 .00 0 .00
ATOM 55 CD2 LEU 127 4 .096 10 .455 -2 .115 1 .00 0 .00
ATOM 56 1HD2 LEU 127 3 .080 10 .187 -1 .865 1 .00 0 .00
ATOM 57 2HD2 LEU 127 4 .419 9 .881 -2 .971 1 .00 0 .00
ATOM 58 3HD2 LEU 127 4 .144 11 .508 -2 .349 1 .00 0 .00
ATOM 59 QQD LEU 127 4 .238 10 .905 -0 .941 1 .00 0 .00
ATOM 60 C LEU 127 7 .570 8 .058 -1 .395 1 .00 0 .00
ATOM 61 O LEU 127 6 .584 7 .483 -1 .854 1, .00 0 .00
ATOM 6 N LEU 128 8 .806 7 .609 -1 .547 1, .00 0 .00
ATOM 63 H LEU 128 9 .545 8 .115 -1. .162 1. .00 0 .00
ATOM 64 CA LEU 128 9 .089 6 .389 -2 .275 1, .00 0 .00
ATOM 65 HA LEU 128 8 .153 5 .892 -2 .470 1, .00 0 .00
ATOM 66 CB LEU 128 9 .771 6 .739 -3 .611 1, .00 0 .00
ATOM 67 1HB LEU 128 10 .840 6 .715 -3 .454 1 .00 0 .00
ATOM 68 2HB LEU 128 9 .491 7 .749 -3 .871 1 .00 0 .00
ATOM 69 QB LEU 128 10 .166 7 .232 -3 .662 1 .00 0 .00
ATOM 70 CG LEU 128 9 .445 5 .833 -4 .812 1, .00 0 .00
ATOM 71 HG LEU 128 9 .050 6 .446 -5 .612 1, .00 0 .00
ATOM 12 QD1 LEU 128 10 .996 4 .987 -5 .453 1, .00 0, .00
ATOM 73 QD2 LEU 128 8 .131 4, .561 -4 .377 1, .00 0 .00
ATOM 74 CD1 LEU 128 10 .699 5, .149 -5 .330 1, .00 0, .00
ATOM 75 1HD1 LEU 128 11 .562 5, .538 -4, .811 1, .00 0, .00
ATOM 76 2HD1 LEU 128 10 .800 5, .339 -6, .388 1, .00 0, .00
ATOM 77 3HD1 LEU 128 10 .625 4 .085 -5 .160 1, .00 0 .00
ATOM 78 CD2 LEU 128 8 .384 4 .804 -4 .461 1 .00 0 .00
ATOM 79 1HD2 LEU 128 8 .136 4 .228 -5 .340 1 .00 0 .00
ATOM 80 2HD2 LEU 128 7 .498 5 .309 -4 .101 1 .00 0 .00
ATOM 81 3HD LEU 128 8 .759 4 .145 -3 .692 1 .00 0 .00
ATOM 82 QQD LEU 128 9 .563 4 .774 -4 .915 1 .00 0 .00
ATOM 83 C LEU 128 9 .971 5 .477 -1 .416 1, .00 0 .00
ATOM 84 O LEU 128 9 .956 5 .582 -0 .191 1, .00 0, .00
ATOM 85 N VAL 129 10 .718 4 .587 -2 .063 1. .00 0, .00
ATOM 86 H VAL 129 10 .669 4, .560 -3 .041 1, .00 0, .00
ATOM 87 CA VAL 129 11 .601 3, .637 -1, .375 1, .00 0, .00
ATOM 88 HA VAL 129 10 .980 2, .924 -0, .857 1, .00 0. .00
ATOM 89 CB VAL 129 12 .469 2. .869 -2, .400 1. .00 0, .00
ATOM 90 HB VAL 129 13 .076 3 .588 -2 .931 1, .00 0, .00
ATOM 91 QG1 VAL 129 13 .624 1 .649 -1 .552 1, .00 0, .00
ATOM 92 QG2 VAL 129 11 .384 1 .982 -3 .652 1, .00 0, .00
ATOM 93 CGI VAL 129 13 .401 1, .882 -1 .715 1. .00 0, .00
ATOM 94 1HG1 VAL 129 12 .837 1, .264 -1 .032 1, .00 0, .00
ATOM 95 2HG1 VAL 129 14 .159 2, .424 -1 .166 1. .00 0, .00
ATOM 96 3HG1 VAL 129 13, .875 1, .258 -2, .458 1. .00 0, .00
ATOM 97 CG2 VAL 129 11, .590 2, .151 -3, .413 1. ,00 0, .00
ATOM 98 1HG2 VAL 129 10, .555 2, .401 -3, .234 1. ,00 0. .00
ATOM 99 2HG2 VAL 129 11, .728 1, .085 -3. .314 1. ,00 0. ,00
ATOM 100 3HG2 VAL 129 11, .868 2, .460 -4, .410 1. ,00 0. ,00
ATOM 101 QQG VAL 129 12 .504 1, .815 -2, .602 1. .00 0. .00
ATOM 102 C VAL 129 12, .516 4, .327 -0, .354 1. .00 0, .00
ATOM 103 O VAL 129 13, .270 5, .236 -0, .699 1. ,00 0, .00
ATOM 104 M PRO 130 12 .448 3 .894 0 .924 1, .00 0, .00
ATOM 105 CD PRO 130 11 .567 2, .830 1 .417 1, .00 0, .00
ATOM 106 CA PRO 130 13 .257 4, .453 1, .999 1. .00 0, .00
ATOM 107 HA PRO 130 13, .402 5, .509 1, .870 1. .00 0, .00
ATOM 108 CB PRO 130 12, .401 4, .209 3, .247 1. ,00 0, .00
ATOM 109 1HB PRO 130 11, .866 5, .113 3, .495 1. .00 0. .00
ATOM 110 2HB PRO 130 13, .044 3, .935 4, .071 1. ,00 0. .00
ATOM 111 QB PRO 130 12. .455 4. .524 3, .783 1. ,00 0. ,00
ATOM 112 CG PRO 130 11. .455 3. .095 2, .902 1. 00 0. ,00
ATOM 113 1HG PRO 130 10, .446 3, .391 3, .151 1. .00 0, .00
ATOM 114 2HG PRO 130 11, .725 2, .208 3, .455 1. .00 0. .00
ATOM 115 QG PRO 130 11, .086 2. .800 3. .303 1. ,00 0. .00
ATOM 116 1HD PRO 130 10, .594 2. .892 0, .952 1. .00 0. ,00
ATOM 117 2HD PRO 130 12. .007 1, .858 1. .240 1. ,00 0. .00
ATOM 118 QD PRO 130 11. .301 2. .375 1. .096 1. 00 0. 00
ATOM 119 C PRO 130 14. .627 3. .782 2. .130 1. 00 0. ,00
ATOM 120 O PRO 130 15. .564 4. .116 1. .410 1. 00 0. 00 204 -
ATOM 121 N ASP 131 14 .731 2 .853 3 .073 1 .00 0 .00
ATOM 122 H ASP 131 13 .948 2 .656 3 .617 1 .00 0 .00
ATOM 123 CA ASP 131 15 .985 2 .141 3 .333 1 .00 0 .00
ATOM 124 HA ASP 131 16 .797 2 .830 3 .155 1 .00 0 .00
ATOM 125 CB ASP 131 16 .028 1 .695 4 .802 1 .00 0 .00
ATOM 126 1HB ASP 131 15 .205 1 .021 4 .990 1 .00 0 .00
ATOM 127 2HB ASP 131 15 .926 2 .563 5 .436 1 .00 0 .00
ATOM 128 QB ASP 131 15 .566 1 .792 5 .213 1 .00 0 .00
ATOM 129 CG ASP 131 17 .315 0 .989 5 .171 1 .00 0 .00
ATOM 130 OD1 ASP 131 17 .241 -0 .131 5 .713 1 .00 0 .00
ATOM 131 OD2 ASP 131 18 .401 1 .542 4 .912 1 .00 0 .00
ATOM 132 C ASP 131 16 .156 0 .935 2 .399 1 .00 0 .00
ATOM 133 O ASP 131 16 .530 1 .088 1 .240 1 .00 0 .00
ATOM 134 N LYS+ 132 15 .888 -0 .266 2 .908 1 .00 0 .00
ATOM 135 H LYS+ 132 15 .603 -0 .335 3 .842 1 .00 0 .00
ATOM 136 CA LYS+ 132 16 .031 -1 .480 2 .107 .1 .00 0 .00
ATOM 137 HA LYS+ 132 16 .580 -1 .220 1 .213 1 .00 0 .00
ATOM 138 CB LYS+ 132 16 .809 -2 .547 2 .875 1 .00 0 .00
ATOM 139 1HB LYS+ 132 16 .877 -3 .435 2 .262 1 .00 0 .00
ATOM 140 2HB LYS+ 132 16 .270 -2 .787 3 .780 1 .00 0 .00
ATOM 141 QB LYS+ 132 16 .574 -3 .111 3 .021 1 .00 0 .00
ATOM 142 CG LYS+ 132 18 .214 -2 .120 3 .253 1 .00 0 .00
ATOM 143 1HG LYS+ 132 18 .225 -1 .048 3 .400 1 .00 0 .00
ATOM 144 2HG LYS+ 132 18 .889 -2 .384 2 .454 1 .00 0 .00
ATOM 145 QG LYS+ 132 18 .557 -1 .716 2 .927 1 .00 0 .00
ATOM 146 CD LYS+ 132 18 .671 -2 .798 4 .531 1, .00 0 .00
ATOM 147 1HD LYS+ 132 18, .806 -3 .853 4 .341 1, .00 0, .00
ATOM 148 2HD LYS+ 132 17, .913 -2 .661 5 .290 1, .00 0, .00
ATOM 149 QD LYS+ 132 18, .360 -3 .257 4 .816 1, .00 0, .00
ATOM 150 CE LYS+ 132 19 .979 -2 .209 5 .026 1 .00 0 .00
ATOM 151 IHE LYS+ 132 20 .705 -2 .268 4 .227 1 .00 0 .00
ATOM 152 2HE LYS+ 132 20 .323 -2 .789 5 .869 1, .00 0, .00
ATOM 153 QE LYS+ 132 20 .514 -2 .528 5 .048 1, .00 0, .00
ATOM 154 NZ LYS+ 132 19, .824 -0 .787 5 .440 1, .00 0, .00
ATOM 155 1HZ LYS+ 132 20, .267 -0, .154 4 .745 1, .00 0, .00
ATOM 156 2HZ LYS+ 132 20, .264 -0, .626 6 .365 1. .00 0, .00
ATOM 157 3HZ LYS+ 132 18, .803 -0, .535 5 .509 1. .00 0, .00
ATOM 158 QZ LYS+ 132 19, .778 -0, .438 5 .540 1, .00 0, .00
ATOM 159 C LYS+ 132 14. .675 -2, .034 1 .703 1. .00 0. .00
ATOM 160 O LYS+ 132 14, .583 -3. .008 0 .960 1. .00 0. .00
ATOM 161 N CYS 133 13, .622 -1, .408 2 .193 1. ,00 0. .00
ATOM 162 H CYS 133 13, .757 -0, .636 2 .777 1. .00 0, .00
ATOM 163 CA CYS 133 12, .272 -1, .839 1 .876 1, .00 0, .00
ATOM 164 HA CYS 133 12, .307 -2, .888 1 .621 1. .00 0, .00
ATOM 165 CB CYS 133 11, .349 -1. .640 3 .079 1. .00 0, .00
ATOM 166 1HB CYS 133 10. .358 -1, .406 2 .720 1. .00 0. .00
ATOM 167 2HB CYS 133 11. .712 -0. .811 3 .662 1. .00 0, .00
ATOM 168 QB CYS 133 11. .035 -1. .108 3, .191 1. .00 0. .00
ATOM 169 SG CYS 133 11. .205 -3. .073 4, .197 1. ,00 0. .00
ATOM 170 C CYS 133 11. .751 -1. .053 0, .681 1. ,00 0. ,00
ATOM 171 O CYS 133 12. .181 0. .067 0. .437 1. ,00 0. .00
ATOM 172 N LYS+ 134 10. .824 -1. .638 -0. .056 1. ,00 0. ,00
ATOM 173 H LYS+ 134 10, .507 -2, .532 0 .194 1. .00 0. .00
ATOM 174 CA LYS+ 134 10. .251 -0, .988 -1, .222 1. .00 0. .00
ATOM 175 HA LYS+ 134 10. .951 -0. .241 -1, .566 1. ,00 0. ,00
ATOM 176 CB LYS+ 134 10. .006 -2. .007 -2, .339 1. .00 0. .00
ATOM 177 1HB LYS+ 134 9. .013 -2. .417 -2, .221 1. ,00 0. ,00
ATOM 178 2HB LYS+ 134 10. ,727 -2. .805 -2, .246 1. ,00 0. ,00
ATOM 179 QB LYS+ 134 9. .870 -2. .611 -2. .233 1. 00 0. ,00
ATOM 180 CG LYS+ 134 10. ,116 -1. ,425 -3. .741 1. 00 0. ,00
ATOM 181 1HG LYS+ 134 11. ,094 -0. .979 -3. .859 1. 00 0. 00
ATOM 182 2HG LYS+ 134 9. ,355 -0. ,670 -3. .868 1. 00 0. 00
ATOM 183 QG LYS+ 134 10. ,225 -0. ,824 -3. .863 1. 00 0. 00
ATOM 184 CD LYS+ 134 9. 931 -2. ,500 -4. .802 1. 00 0. 00
ATOM 185 1HD LYS+ 134 9. .573 -3. .402 -4. .324 1. ,00 0. ,00
ATOM 186 2HD LYS+ 134 10. ,884 -2. ,697 -5. .272 1. 00 0. ,00
ATOM 187 QD LYS+ 134 10. ,229 -3. ,049 -4. .798 1. 00 0. 00
ATOM 188 CE LYS+ 134 8. ,931 -2. ,078 -5. .870 1. 00 0. 00
ATOM 189 IHE LYS+ 134 7. ,935 -2. 328 -5. .530 1. 00 0. 00
ATOM 190 2HE LYS+ 134 9. 145 -2. 623 -6. ,779 1. 00 0. 00
ATOM 191 QE LYS+ 134 8. 540 -2. 475 -6. ,154 1. 00 0. 00
ATOM 192 NZ LYS+ 134 8. 996 -0. 615 -6. ,153 1. 00 0. 00 - 205
ATOM 193 1HZ LYS+ 134 8 .254 -0 .115 -5 .621 1 .00 0 .00
ATOM 194 2HZ LYS+ 134 8 .855 -0 .439 -7 .170 1 .00 0 .00
ATOM 195 3HZ LYS+ 134 9 .923 -0 .238 -5 .874 1, .00 0, .00
ATOM 196 QZ LYS+ 134 9 .011 -0 .264 -6 .221 1, .00 0, .00
ATOM 197 C LYS+ 134 8 .949 -0 .311 -0 .844 1, .00 0 .00
ATOM 198 O LYS+ 134 7 .991 -0 .972 -0 .459 1, .00 0 .00
ATOM 199 N PHE 135 8 .922 1 .003 -0 .948 1, .00 0 .00
ATOM 200 H PHE 135 9 .721 1 .477 -1 .258 1. .00 0, .00
ATOM 201 CA PHE 135 7 .734 1 .764 -0 .604 1 .00 0 .00
ATOM 202 HA PHE 135 7 .168 1 .196 0 .121 1 .00 0 .00
ATOM 203 CB PHE 135 8 .137 3 .106 0 .011 1, .00 0 .00
ATOM 204 1HB PHE 135 8 .438 3 .775 -0 .783 1, .00 0 .00
ATOM 205 2HB PHE 135 8 .975 2 .950 0 .672 1, .00 0 .00
ATOM 206 QB PHE 135 8 .707 3 .363 -0 .055 1, .00 0, .00
ATOM 207 QD PHE 135 6 .941 3 .874 0 .895 1, .00 0, .00
ATOM 208 QE PHE 135 5 .204 5 .018 2 .207 1 .00 0 .00
ATOM 209 QR PHE 135 5 .724 4 .675 1 .814 1 .00 0 .00
ATOM 210 CG PHE 135 7 .060 3 .795 0 .805 1, .00 0 .00
ATOM 211 CD1 PHE 135 7 .194 5 .131 1 .145 1, .00 0 .00
ATOM 212 1HD PHE 135 8 .074 5 .673 0 .829 1, .00 0, .00
ATOM 213 CE1 PHE 135 6 .220 5 .777 1 .881 1, .00 0 .00
ATOM 214 IHE PHE 135 6 .338 6 .819 2 .140 1 .00 0 .00
ATOM 215 CZ PHE 135 5 .096 5 .088 2 .287 1, .00 0 .00
ATOM 216 HZ PHE 135 4 .331 5 .590 2 .864 1, .00 0 .00
ATOM 217 CE2 PHE 135 4 .950 3 .758 1 .954 1, .00 0 .00
ATOM 218 2HE PHE 135 4 .070 3 .216 2 .273 1. .00 0, .00
ATOM 219 CD2 PHE 135 5 .927 3 .117 1 .218 1, .00 0, .00
ATOM 220 2HD PHE 135 5 .808 2 .075 0 .961 1 .00 0 .00
ATOM 221 C PHE 135 6 .878 1 .992 -1 .835 1. .00 0, .00
ATOM 222 O PHE 135 7, .350 2 .504 -2, .847 1, .00 0, .00
ATOM 223 N LEU 136 5 .622 1 .608 -1 .738 1. .00 0. .00
ATOM 224 H LEU 136 5, .308 1, .202 -0, .897 1. .00 0. .00
ATOM 225 CA LEU 136 4, .684 1, .771 -2, .826 1. .00 0. ,00
ATOM 226 HA LEU 136 5 .206 2 .236 -3 .649 1, .00 0, .00
ATOM 227 CB LEU 136 4 .132 0 .416 -3 .275 1. .00 0, .00
ATOM 228 1HB LEU 136 3, .243 0 .592 -3 .863 1. .00 0. .00
ATOM 229 2HB LEU 136 3, .853 -0 .145 -2, .393 1. .00 0. .00
ATOM 230 QB LEU 136 3, .548 0, .224 -3, .128 1. .00 0. .00
ATOM 231 CG LEU 136 5, .097 -0, .437 -4, .106 1. .00 0. .00
ATOM 232 HG LEU 136 5 .801 0 .211 -4 .606 1. .00 0, .00
ATOM 233 QD1 LEU 136 6 .065 -1 .608 -2 .999 1. .00 0, .00
ATOM 234 QD2 LEU 136 4 .161 -1 .408 -5 .415 1. .00 0. .00
ATOM 235 CD1 LEU 136 5, .880 -1 .384 -3 .213 1. ,00 0. .00
ATOM 236 1HD1 LEU 136 5 .491 -2 .386 -3 .321 1, .00 0, .00
ATOM 237 2HD1 LEU 136 5 .782 -1 .070 -2 .183 1, .00 0, .00
ATOM 238 3HD1 LEU 136 6 .921 -1 .369 -3 .495 1. .00 0, .00
ATOM 239 CD2 LEU 136 4 .341 -1 .221 -5 .165 1. .00 0, .00
ATOM 240 1HD2 LEU 136 4 .597 -0 .847 -6 .145 1. ,00 0, .00
ATOM 241 2HD2 LEU 136 3, .279 -1 .111 -5 .004 1. ,00 0. .00
ATOM 242 3HD2 LEU 136 4 .608 -2 .266 -5 .097 1, .00 0, .00
ATOM 243 QQD LEU 136 5 .113 -1. .508 -4 .207 1, .00 0, .00
ATOM 244 C LEU 136 3 .561 2 .688 -2 .372 1. .00 0, .00
ATOM 245 O LEU 136 2 .461 2. .238 -2 .065 1. .00 0, .00
ATOM 246 N HIS+ 137 3, .865 3. .976 -2 .315 1. ,00 0, .00
ATOM 247 H HIS+ 137 4, .770 4 .261 -2 .561 1. ,00 0. .00
ATOM 248 CA HIS+ 137 2, .905 4, .981 -1 .884 1. ,00 0. .00
ATOM 249 HA HIS+ 137 2, .189 4, .510 -1, .221 1. ,00 0. ,00
ATOM 250 CB HIS+ 137 3, .642 6, .107 -1, .139 1. ,00 0. ,00
ATOM 251 1HB HIS+ 137 4, .257 6, .647 -1, .844 1. 00 0. ,00
ATOM 252 2HB HIS+ 137 4, .277 5, .669 -0, .383 1. 00 0. ,00
ATOM 253 QB HIS+ 137 4, .267 6, .158 -1, .113 1. 00 0. ,00
ATOM 254 CG HIS+ 137 2, .744 7. .097 -0, .459 1. ,00 0. .00
ATOM 255 ND1 HIS+ 137 1, .768 7, .813 -1, .114 1. ,00 0. ,00
ATOM 256 CD2 HIS+ 137 2, .671 7, .469 0, .837 1. ,00 0. ,00
ATOM 257 1HD HIS+ 137 1, .577 7, .772 -2, .076 1. 00 0. ,00
ATOM 258 CE1 HIS+ 137 1, .131 8, .579 -0. .247 1. 00 0. ,00
ATOM 259 NE2 HIS+ 137 1, .656 8. .388 0, .953 1. 00 0. 00
ATOM 260 2HD HIS+ 137 3. .296 7. .105 1. .642 1. 00 0. 00
ATOM 261 IHE HIS+ 137 0, .313 9, .246 -0, .476 1. ,00 0. ,00
ATOM 262 2HE HIS+ 137 1, .178 8, .570 1. .797 1. 00 0. ,00
ATOM 263 C HIS+ 137 2. .188 5. .551 -3. .098 1. 00 0. 00
ATOM 264 O HIS+ 137 2. .691 6. .468 -3, .748 1. 00 0. 00 206
ATOM 265 N GLN 138 1 .023 5 .007 -3 .414 1 .00 0 .00
ATOM 266 H GLN 138 0 .660 4 .270 -2 .862 1 .00 0 .00
ATOM 267 CA GLN 138 0 .269 5. .478 -4, .570 1, .00 0 .00
ATOM 268 HA GLN 138 0, .680 6, .434 -4, .860 1, .00 0 .00
ATOM 269 CB GLN 138 0 .419 4 .500 -5 .743 1 .00 0 .00
ATOM 270 1HB GLN 138 0 .006 4, .958 -6 .630 1 .00 0 .00
ATOM 271 2HB GLN 138 -0 .140 3, .603 -5, .520 1 .00 0 .00
ATOM 272 QB GLN 138 -0 .067 4, .281 -6, .075 1, .00 0 .00
ATOM 273 CG GLN 138 1 .861 4 .103 -6 .039 1 .00 0 .00
ATOM 274 1HG GLN 138 1 .862 3 .144 -6 .536 1 .00 0 .00
ATOM 275 2HG GLN 138 2 .397 4 .023 -5 .105 1 .00 0 .00
ATOM 276 QG GLN 138 2 .130 3 .584 -5 .820 1. .00 0 .00
ATOM 277 CD GLN 138 2 .576 5, .109 -6 .924 1 .00 0 .00
ATOM 278 OE1 GLN 138 2 .042 5, .537 -7 .944 1, .00 0 .00
ATOM 279 NE2 GLN 138 3 .788 5 .493 -6 .539 1 .00 0 .00
ATOM 280 1HE2 GLN 138 4 .159 5 .115 -5 .713 1 .00 0 .00
ATOM 281 2HE2 GLN 138 4 .264 6 .143 -7 .096 1 .00 0 .00
ATOM 282 QE2 GLN 138 4 .212 5 .629 -6 .404 1 .00 0 .00
ATOM 283 C GLN 138 -1 .202 5, .661 -4 .231 1 .00 0 .00
ATOM 284 O GLN 138 -1 .730 5, .004 -3 .333 1, .00 0 .00
ATOM 285 N GLU 139 -1 .862 6 .546 -4 .966 1 .00 0 .00
ATOM 286 H GLU 139 -1 .390 7 .026 -5 .676 1 .00 0 .00
ATOM 287 CA GLU 139 -3 .275 6 .806 -4 .759 1 .00 0 .00
ATOM 288 HA GLU 139 -3 .566 6 .312 -3 .843 1. .00 0 .00
ATOM 289 CB GLU 139 -3 .529 8, .322 -4 .616 1 .00 0 .00
ATOM 290 1HB GLU 139 -2 .598 8, .844 -4, .781 1, .00 0 .00
ATOM 291 2HB GLU 139 -3 .862 8, .519 -3, .609 1, .00 0 .00
ATOM 292 QB GLU 139 -3 .230 8 .682 -4 .195 1 .00 0 .00
ATOM 293 CG GLU 139 -4 .571 8, .900 -5, .569 1, .00 0 .00
ATOM 294 1HG GLU 139 -4 .656 8, .250 -6, .427 1, .00 0, .00
ATOM 295 2HG GLU 139 -4, .243 9. .877 -5, .890 1. .00 0, .00
ATOM 296 QG GLU 139 -4, .449 9. .064 -6, .158 1. .00 0. .00
ATOM 297 CD GLU 139 -5, .935 9. .037 -4. .928 1. .00 0, .00
ATOM 298 OE1 GLU 139 -6 .481 10, .159 -4, .922 1. .00 0 .00
ATOM 299 OE2 GLU 139 -6, .460 8, .024 -4, .428 1, .00 0 .00
ATOM 300 C GLU 139 -4, .075 6, .202 -5. .910 1, .00 0, .00
ATOM 301 O GLU 139 -3, .713 6. .347 -7. .079 1. .00 0, .00
ATOM 302 N ARG+ 140 -5, .152 5. .519 -5, .570 1. .00 0, .00
ATOM 303 H ARG+ 140 -5, .386 5. .437 -4. .621 1. .00 0, .00
ATOM 304 CA ARG+ 140 -6 .007 4, .892 -6, .560 1, .00 0, .00
ATOM 305 HA ARG+ 140 -5 .633 5, .154 -7, .539 1, .00 0 .00
ATOM 306 CB ARG+ 140 -5 .995 3, .363 -6. .403 1. .00 0, .00
ATOM 307 1HB ARG+ 140 -6, .513 3, .106 -5. .487 1. .00 0, .00
ATOM 308 2HB ARG+ 140 -4 .972 3 .027 -6, .335 1, .00 0 .00
ATOM 309 QB ARG+ 140 -5. .742 3, .067 -5, .911 1, .00 0 .00
ATOM 310 CG ARG+ 140 -6 .669 2, .619 -7, .547 1. .00 0 .00
ATOM 311 1HG ARG+ 140 -7, .676 2, .998 -7, .661 1. .00 0 .00
ATOM 312 2HG ARG+ 140 -6, .704 1. .568 -7, .307 1, .00 0, .00
ATOM 313 QG ARG+ 140 -7, .190 2, .283 -7, .484 1. .00 0, .00
ATOM 314 CD ARG- 140 -5 .923 2, .803 -8 .857 1, .00 0 .00
ATOM 315 1HD ARG+ 140 -4. .913 3, .121 -8, .642 1. .00 0 .00
ATOM 316 2HD ARG+ 140 -6 .425 3, .569 -9, .435 1. .00 0 .00
ATOM 317 QD ARG+ 140 -5 .669 3. .345 -9, .038 1, .00 0 .00
ATOM 318 NE ARG+ 140 -5, .879 1, .567 -9, .640 1. .00 0 .00
ATOM 319 HE ARG+ 140 -5 .463 0, .783 -9, .221 1, ,00 0, .00
ATOM 320 CZ ARG+ 140 -6, .358 1. .460 -10. .881 1. .00 0, .00
ATOM 321 NH1 ARG+ 140 -6, .970 2. .491 -11. .450 1. .00 0. .00
ATOM 322 1HH1 ARG+ 140 -7, .081 3. ,361 -10. ,943 1. ,00 0, .00
ATOM 323 2HH1 ARG+ 140 -7, .335 2. .416 -12. .377 1. .00 0, .00
ATOM 324 QH1 ARG+ 140 -7, .208 2. .889 -11. .660 1. ,00 0. .00
ATOM 325 NH2 ARG+ 140 -6, .245 0. ,312 -11. ,541 1. ,00 0. .00
ATOM 326 1HH2 ARG+ 140 -5, .800 -0. .474 -11. .110 1. .00 0. .00
ATOM 327 2HH2 ARG+ 140 -6, .606 0. .230 -12. .471 1. .00 0, .00
ATOM 328 QH2 ARG+ 140 -6, .203 -0. ,122 -11. .790 1. ,00 0, .00
ATOM 329 C ARG+ 140 -7. .426 5. .420 -6. .415 1. .00 0. .00
ATOM 330 O ARG+ 140 -8, .267 4. ,787 -5. ,774 1. ,00 0. .00
ATOM 331 N MET 141 -7. .692 6. ,578 -7. ,013 1. 00 0. .00
ATOM 332 H MET 141 -6. .981 7. .031 -7. ,511 1. ,00 0. ,00
ATOM 333 CA MET 141 -9, .019 7. .187 -6. .954 1. .00 0. .00
ATOM 334 HA MET 141 -9, .380 7. ,092 -5. ,942 1. ,00 0. .00
ATOM 335 CB MET 141 -8. .941 8. ,674 -7. ,326 1. ,00 0. .00
ATOM 336 1HB MET 141 -8. .811 8. ,757 -8. .395 1. 00 0. ,00 - 207
ATOM 337 2HB MET 141 -8 .084 9 .113 -6 .834 1 .00 0 .00
ATOM 338 QB MET 141 -8 .447 8 .935 -7 .614 1 .00 0 .00
ATOM 339 CG MET 141 -10 .177 9 .473 -6 .934 1 .00 0 .00
ATOM 340 1HG MET 141 -10 .570 9 .072 -6 .012 1 .00 0 .00
ATOM 341 2HG MET 141 -10 .916 9 .368 -7 .714 1 .00 0 .00
ATOM 342 QG MET 141 -10 .743 9 .220 -6 .863 1 .00 0 .00
ATOM 343 SD MET 141 -9 .830 11 .227 -6 .701 1 .00 0 .00
ATOM 344 QE MET 141 -9 .437 11 .835 -8 .726 1 .00 0 .00
ATOM 345 CE MET 141 -9 .503 11 .733 -8 .388 1 .00 0 .00
ATOM 346 IHE MET 141 -8 .980 10 .943 -8 .905 1 .00 0 .00
ATOM 347 2HE MET 141 -8 .894 12 .625 -8 .384 1 .00 0 .00
ATOM 348 3HE MET 141 -10 .437 11 .937 -8 .891 1 .00 0 .00
ATOM 349 C MET 141 -9 .979 6 .454 -7 .890 1 .00 0 .00
ATOM 350 O MET 141 -10 .699 7 .067 -8 .680 1 .00 0 .00
ATOM 351 N ASP 142 -9 .966 5 .136 -7 .789 1 .00 0 .00
ATOM 352 H ASP 142 -9, .362 4 .721 -7 .139 1, .00 0 .00
ATOM 353 CA ASP 142 -10, .797 4 .281 -8, .605 1, .00 0 .00
ATOM 354 HA ASP 142 -11, .481 4, .896 -9 .170 1, .00 0 .00
ATOM 355 CB ASP 142 -9, .925 3, .472 -9, .564 1, .00 0, .00
ATOM 356 1HB ASP 142 -10, .557 2 .814 -10, .127 1, .00 0, .00
ATOM 357 2HB ASP 142 -9, .227 2, .884 -8, .991 1, .00 0, .00
ATOM 358 QB ASP 142 -9 .892 2 .849 -9 .559 1 .00 0 .00
ATOM 359 CG ASP 142 -9 .139 4 .329 -10 .531 1 .00 0 .00
ATOM 360 OD1 ASP 142 -7 .978 4 .667 -10 .212 1 .00 0 .00
ATOM 361 OD2 ASP 142 -9 .659 4 .626 -11 .619 1, .00 0 .00
ATOM 362 C ASP 142 -11 .575 3 .315 -7 .732 1, .00 0 .00
ATOM 363 O ASP 142 -12 .793 3 .184 -7. .844 1, .00 0 .00
ATOM 364 N VAL 143 -10 .845 2 .617 -6, .873 1, .00 0 .00
ATOM 365 H VAL 143 -9, .877 2, .759 -6 .846 1, .00 0 .00
ATOM 366 CA VAL 143 -11, .440 1 .632 -5, .991 1, .00 0, .00
ATOM 367 HA VAL 143 -12, .414 1, .381 -6, .387 1, .00 0, .00
ATOM 368 CB VAL 143 -10, .586 0 .347 -5, .953 1, .00 0, .00
ATOM 369 HB VAL 143 -9, .911 0, .416 -5, .111 1, .00 0, .00
ATOM 370 QG1 VAL 143 -11, .666 -1, .168 -5, .710 1, .00 0, .00
ATOM 371 QG2 VAL 143 -9. .556 0, .173 -7, .517 1, .00 0, .00
ATOM 372 CGI VAL 143 -11 .461 -0 .878 -5 .756 1 .00 0 .00
ATOM 373 1HG1 VAL 143 -12 .327 -0 .808 -6 .396 1 .00 0 .00
ATOM 374 2HG1 VAL 143 -11 .776 -0 .934 -4 .725 1 .00 0 .00
ATOM 375 3HG1 VAL 143 -10 .896 -1 .763 -6 .009 1 .00 0 .00
ATOM 376 CG2 VAL 143 -9 .752 0 .205 -7, .219 1, .00 0 .00
ATOM 377 1HG2 VAL 143 -8 .715 0 .397 -6, .989 1, .00 0 .00
ATOM 378 2HG2 VAL 143 -10 .096 0, .917 -7, .956 1, .00 0 .00
ATOM 379 3HG2 VAL 143 -9, .857 -0 .796 -7, .607 1, .00 0, .00
ATOM 380 QQG VAL 143 -10, .611 -0, .498 -6, .613 1, .00 0, .00
ATOM 381 C VAL 143 -11, .610 2, .193 -4, .577 1, .00 0, .00
ATOM 382 O VAL 143 -10, .860 3, .067 -4, .152 1, .00 0, .00
ATOM 383 N CYS 144 -12, .607 1. .687 -3, .859 1, .00 0, .00
ATOM 384 H CYS 144 -13, .172 0, .992 -4. .255 1, .00 0, .00
ATOM 385 CA CYS 144 -12, .890 2, .137 -2, .497 1, .00 0, .00
ATOM 386 HA CYS 144 -12 .013 2 .644 -2, .113 1 .00 0, .00
ATOM 387 CB CYS 144 -14 .071 3, .105 -2, .503 1 .00 0 .00
ATOM 388 1HB CYS 144 -14 .546 3, .084 -1, .533 1, .00 0 .00
ATOM 389 2HB CYS 144 -14 .782 2, .787 -3, .251 1, .00 0 .00
ATOM 390 QB CYS 144 -14, .664 2, .936 -2, .392 1, .00 0 .00
ATOM 391 SG CYS 144 -13 .625 4, .830 -2, .866 1, .00 0, .00
ATOM 392 C CYS 144 -13, .215 0. .955 -1, .602 1, .00 0, .00
ATOM 393 O CYS 144 -14, .358 0, .494 -1. .569 1, .00 0, .00
ATOM 394 N GLU 145 -12, .218 0, .456 -0, .889 1, .00 0, .00
ATOM 395 H GLU 145 -11. .324 0, .853 -0. .960 1. .00 0, .00
ATOM 396 CA GLU 145 -12, .415 -0, .686 -0. .018 1. .00 0, .00
ATOM 397 HA GLU 145 -13, .468 -0. .912 -0. .004 1. .00 0, .00
ATOM 398 CB GLU 145 -11 .674 -1, .887 -0, .586 1, .00 0 .00
ATOM 399 1HB GLU 145 -1 .422 -2, .556 0, .221 1. .00 0, .00
ATOM 400 2HB GLU 145 -10, .761 -1, .545 -1, .056 1. .00 0, .00
ATOM 401 QB GLU 145 -11, .091 -2, .050 -0, .417 1, .00 0, .00
ATOM 402 CG GLU 145 -12, .491 -2, .658 -1. .610 1. .00 0, .00
ATOM 403 1HG GLU 145 -12, .034 -3, .624 -1. .767 1. .00 0. .00
ATOM 404 2HG GLU 145 -12, .497 -2. .107 -2. .539 1. .00 0, .00
ATOM 405 QG GLU 145 -12. ,265 -2. ,865 -2. ,153 1. ,00 0. ,00
ATOM 406 CD GLU 145 -13. ,921 -2. 864 -1. ,160 1. 00 0. ,00
ATOM 407 OE1 GLU 145 -14. ,131 -3. 165 0. 036 1. 00 0. ,00
ATOM 408 OE2 GLU 145 -14. .836 -2. 692 -1. ,985 1. 00 0. ,00
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00 t^ r. t^ c^ c^ c^ t^ c^ r- ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^' ^ ^ α} ω o^ [D ^ϊ] αι ω ^D ω m ω cD [D [0 [D [0 [a ω α] α} ^» ω ω [o c] ω α] ra ω α] ω [D ω > p- > > > > Oi Pi Pi Λ cii Cii Oi Pi Oi Oi ft Pi Oi ft i ft Di rt rt rt rt rt rt rt rt rt rt rt rt rt P Λ i-P i-P J i-P J ri OJ ri ri ri ri OI CM CM Ol Q ri CM ri ri ri ri CM Ol Ol Ol CD o p p p p p p p p p o α _ rt rt PP D U j cD cs o ø g g α ^ P rt rt m c m m ø u ø cD p p o rt rt m w cp pα o o p _ ft n n nno ρρ c3iσu cρ cρ cρ u cρ cρ cρ σu p a cρ o cp u sρ ααu cρ cρ cρ u cρ cP Cp u o a o o cρ u cρ cρ σu cρ cρ σcρ cρ σu ρ a cρ u cρ o cR cρ pιu ρ p u p a cρ u u CP CP σ CJ co cn o ri oi
00
i ri riririririririririririririririririririririri 00 00
22 22 22 o O O O O O t < f fet! f fet! f fet! fe ft! o ft < f
- 221
ATOM 143 1HG LYS+ 132 18.554 -2.518 4.838 00 0.00
ATOM 144 2HG LYS+ 132 17.740 -2.936 3.329 00 0.00
ATOM 145 QG LYS+ 132 18.147 -2.727 4.083 00 0.00
ATOM 146 CD LYS+ 132 17.510 -4.380 4.883 00 0.00
ATOM 147 1HD LYS+ 132 16.582 -4.471 5.429 00 0.00
ATOM 148 2HD LYS+ 132 18.339 -4.617 5.535 00 0.00
ATOM 149 QD LYS+ 132 17.461 -4.544 5.482 00 0.00
ATOM 150 CE LYS+ 132 17.501 -5.357 3.715 00 00
ATOM 151 IHE LYS+ 132 18.483 -5.363 3.262 1.00 00
ATOM 152 2HE LYS+ 132 16.774 -5.022 2.989 1.00 00
ATOM 153 QE LYS+ 132 17.629 193 3.125 00 00
ATOM 154 NZ LYS+ 132 17.155 744 4.144 00 00
ATOM 155 1HZ LYS+ 132 18.023 -7.289 4.331 00 0.00
ATOM 156 2HZ LYS+ 132 16.612 -7.228 3.397 00 0.00
ATOM 157 3HZ LYS+ 132 16.581 -6.719 5.012 00 0.00
ATOM 158 QZ LYS+ 132 17.072 -7.079 4.246 00 0.00
ATOM 159 c LYS+ 132 14.643 -1.802 .127 1.00 0.00
ATOM 160 O LYS+ 132 14.669 -2.843 .468 1.00 0.00
ATOM 161 N CYS 133 13.524 -1.147 .389 .00 00
ATOM 162 H CYS 133 13.569 -0.326 .918 .00 00
ATOM 163 CA CYS 133 12.230 -1.611 .905 ,00 0.00
ATOM 164 HA CYS 133 12.327 -2.650 .630 ,00 0.00
ATOM 165 CB CYS 133 11.163 -1.472 .997 ,00 0.00
ATOM 166 1HB CYS 133 10.213 -1.259 .527 ,00 0.00
ATOM 167 2HB CYS 133 11.426 -0.644 .637 .00 0.00
ATOM 168 QB CYS 133 10.820 -0.952 .082 .00 0.00
ATOM 169 SG CYS 133 10.933 -2.937 .061 ,00 0.00
ATOM 170 C CYS 133 11.808 -0.805 .684 ,00 0.00
ATOM 171 O CYS 133 12.393 0.223 1.388 1.00 0.00
ATOM 172 N LYS+ 134 10.782 -1.269 0.993 1.00 0.00
ATOM 173 H LYS+ 134 10.343 -2.097 1.288 1.00 0.00
ATOM 174 CA LYS+ 134 10.262 -0.585 -0.183 1.00 0.00
ATOM 175 HA LYS+ 134 10.978 0.167 -0.482 1.00 00
ATOM 176 CB LYS+ 134 10.061 -1.589 -1.326 .00 00
ATOM 177 1HB LYS+ 134 9.374 -2.354 -0.994 .00 00
ATOM 178 2HB LYS+ 134 11.011 -2.050 -1.552 ,00 00
ATOM 179 QB LYS+ 134 10.193 -2.202 -1.273 ,00 00
ATOM 180 CG LYS+ 134 9.514 -0.985 -2.609 ,00 00
ATOM 181 1HG LYS+ 134 10.267 -0.347 -3.047 .00 00
ATOM 182 2HG LYS+ 134 8.634 -0.404 -2.375 ,00 00
ATOM 183 QG LYS+ 134 9.451 -0.376 -2.711 1.00 0.00
ATOM 184 CD LYS+ 134 9.140 -2.072 .609 1.00 0.00
ATOM 185 1HD LYS+ 134 8.345 -2.674 .190 ■ 1.00 0.00
ATOM 186 2HD LYS+ 134 10.005 -2.694 .789 1.00 0.00
ATOM 187 QD LYS+ 134 9.175 -2.684 .490 1.00 0.00
ATOM 188 CE LYS+ 134 8.673 -1.487 .933 1.00 0.00
ATOM 189 IHE LYS+ 134 8.007 -2.193 -5.408 1.00 0.00
ATOM 190 2HE LYS+ 134 9.535 -1.325 -5.564 1.00 0.00
ATOM 191 QE LYS+ 134 8.771 -1.759 -5.486 1.00 0.00
ATOM 192 NZ LYΞ+ 134 7.958 -0.194 .748 1.00 0.00
ATOM 193 1HZ LYS+ 134 7.236 -0.288 .000 1.00 0.00
ATOM 194 2HZ LYS+ 134 7.487 0.085 .631 1.00 0.00
ATOM 195 3HZ LYS+ 134 8.628 0.553 .474 1.00 0.00
ATOM 196 QZ LYS+ 134 7.784 0.116 .702 1.00 0.00
ATOM 197 C LYS+ 134 8.947 0.084 .182 1.00 0.00
ATOM 198 O LYS+ 134 7.955 -0.590 .431 1.00 0.00
ATOM 199 N PHE 135 8.952 1.403 .247 1.00 0.00
ATOM 200 H PHE 135 9.781 1.889 .060 1.00 0.00
ATOM 201 CA PHE 135 7.762 2.152 .629 1.00 0.00
ATOM 202 HA PHE 135 7.149 1.499 1.235 1.00 0.00
ATOM 203 CB PHE 135 8.204 3.352 1.488 00 0.00
ATOM 204 1HB PHE 135 9.242 3.561 1.269 00 0.00
ATOM 205 2HB PHE 135 8.124 3.075 2.527 00 0.00
ATOM 206 QB PHE 135 8.683 3.318 1.898 00 0.00
ATOM 207 QD PHE 135 7.361 4.776 1.302 00 0.00
ATOM 208 QE PHE 135 6.170 6.914 1.078 00 0.00
ATOM 209 QR PHE 135 6.528 6.274 1.145 00 0.00
ATOM 210 CG PHE 135 7.441 4.634 1.317 00 0.00
ATOM 211 GDI PHE 135 6.294 4.878 2.051 00 0.00
ATOM 212 1HD PHE 135 5.920 4.119 2.724 00 0.00
ATOM 213 CE1 PHE 135 5.626 6.078 1.930 1.00 0.00
ATOM 214 IHE PHE 135 4.730 6.259 2.506 1.00 0.00 - 222 -
ATOM 215 CZ PHE 135 6, .098 7 .047 1, .065 1. .00 0 .00
ATOM 216 HZ PHE 135 5, .575 7 .988 0 .968 1, .00 0, .00
ATOM 217 CE2 PHE 135 7 .238 6 .814 0 .327 1 .00 0 .00
ATOM 218 2HE PHE 135 7. .610 7 .570 -0 .350 1 .00 0 .00
ATOM 219 CD2 PHE 135 7. .906 5 .616 0 .459 1, .00 0 .00
ATOM 220 2HD PHE 135 8. .801 5 .434 -0 .120 1, .00 0 .00
ATOM 221 C PHE 135 6 .960 2 .556 -0 .605 1, .00 0 .00
ATOM 222 O PHE 135 7 .490 3 .145 -1 .548 1 .00 0 .00
ATOM 223 N LEU 136 5 .685 .185 -0 .602 1. .00 0 .00
ATOM 224 H LEU 136 5 .335 1 .684 0 .170 1, .00 0, .00
ATOM 225 CA LEU 136 4 .792 2 .460 -1 .716 1. .00 0, .00
ATOM 226 HA LEU 136 5, .344 3, .010 -2, .462 1, .00 0, .00
ATOM 227 CB LEU 136 4 .274 1 .156 -2 .329 1, .00 0 .00
ATOM 228 1HB LEU 136 3. .481 1 .402 -3 .020 1, .00 0 .00
ATOM 229 2HB LEU 136 3 .855 0 .555 -1 .533 1, .00 0 .00
ATOM 230 QB LEU 136 3, .668 0 .978 -2 .277 1, .00 0 .00
ATOM 231 CG LEU 136 5, .311 0 .316 -3 .070 1. .00 0, .00
ATOM 232 HG LEU 136 6 .141 0 .945 -3 .350 1 .00 0 .00
ATOM 233 QD1 LEU 136 5 .956 -1 .054 -1 .956 1 .00 0 .00
ATOM 234 QD2 LEU 136 4 .563 -0 .413 -4 .634 1, .00 0 .00
ATOM 235 CD1 LEU 136 5 .833 -0 .791 -2 .171 1, .00 0 .00
ATOM 236 1HD1 LEU 136 5 .088 -1 .028 -1 .425 1, .00 0 .00
ATOM 237 2HD1 LEU 136 6, .738 -0, .462 -1, .681 1. .00 0, .00
ATOM 238 3HD1 LEU 136 6 .041 -1 .670 -2 .762 1, .00 0, .00
ATOM 239 CD2 LEU 136 4 .707 -0 .272 -4 .335 1, .00 0, .00
ATOM 240 1HD2 LEU 136 5 .071 0, .267 -5 .196 1, .00 0, .00
ATOM 241 2HD2 LEU 136 3, .630 -0, .192 -4 .290 1, .00 0, .00
ATOM 242 3HD2 LEU 136 4 .986 -1, .313 -4 .416 1. .00 0, .00
ATOM 243 QQD LEU 136 5 .259 -0 .733 -3 .295 1, .00 0 .00
ATOM 244 C LEU 136 3 .606 3, .292 -1 .260 1. .00 0, .00
ATOM 245 O LEU 136 2 .589 .752 -0 .832 1, .00 0, .00
ATOM 246 N HIS+ 137 3 .737 4, .598 -1 .371 1, .00 0, .00
ATOM 247 H HIS+ 137 4 .570 4 .965 -1 .732 1, .00 0, .00
ATOM 248 CA HIS+ 137 2 .669 5 .510 -0 .994 1, .00 0 .00
ATOM 249 HA HIS+ 137 1 .967 4 .981 -0 .352 1, .00 0 .00
ATOM 250 CB HIS+ 137 3, .251 6, .717 -0, .265 1. .00 0. .00
ATOM 251 1HB HIS+ 137 3, .543 7. .446 -1, .000 1. .00 0. .00
ATOM 252 2HB HIS+ 137 4. .126 6, .405 0, .283 1. .00 0. .00
ATOM 253 QB HIS+ 137 3 .835 6, .925 -0 .359 1, .00 C ,00
ATOM 254 CG HIS+ 137 2 .328 7, .387 0, .701 1, .00 o', .bo
ATOM 255 ND1 HIS+ 137 1 .178 8, .042 0, .327 1. .00 0, .00
ATOM 256 CD2 HIS+ 137 2 .405 7, .509 2, .044 1. .00 0. .00
ATOM 257 1HD HIS+ 137 0, .830 8, .135 -0, .597 1. ,00 0. .00
ATOM 258 CE1 HIS+ 137 0 .590 8 .536 1 .398 1, .00 0, .00
ATOM ' 259 NE2 HIS+ 137 1 .310 8 .223 2, .462 1, .00 0, .00
ATOM 260 2HD HIS+ 137 3 .182 7 .108 2 .679 1, .00 0, .00
ATOM 261 IHE HIS+ 137 0 .333 9, .097 1, .405 1. .00 0, .00
ATOM 262 2HE HIS+ 137 0 .941 8, .172 3, .378 1. .00 0. .00
ATOM 263 C HIS+ 137 1 .975 5, .988 -2, .258 1. .00 0, .00
ATOM 264 O HIS+ 137 2, .480 6, .880 -2, .940 1. .00 0. .00
ATOM 265 N GLN 138 0, .847 5, .392 -2, .592 1. ,00 0. .00
ATOM 266 H GLN 138 0, .490 4, .671 -2, .025 1. ,00 0. .00
ATOM 267 CA GLN 138 0, .138 5. .780 -3. .801 1. ,00 0. ,00
ATOM 268 HA GLN 138 0 .537 6 .733 -4 .119 1. .00 0, .00
ATOM 269 CB GLN 138 0 .377 4, .751 -4, .911 1. .00 0. .00
ATOM 270 1HB GLN 138 0 .262 4, .986 -5, .748 1. .00 0. .00
ATOM 271 2HB GLN 138 0 .118 3, .772 -4, .537 1. ,00 0. .00
ATOM 272 QB GLN 138 0 .072 4, .379 -5. .143 1. ,00 0. .00
ATOM 273 CG GLN 138 1 .819 4 .708 -5 .407 1. .00 0, .00
ATOM 274 1HG GLN 138 2 .390 5 .452 -4 .869 1. ,00 0, .00
ATOM 275 2HG GLN 138 1 .831 4 .940 -6 .461 1. .00 0. .00
ATOM 276 QG GLN 138 2, .111 5. .196 -5. .665 1. 00 0. ,00
ATOM 277 CD GLN 138 2, .470 3. .353 -5. .202 1. 00 0. ,00
ATOM 278 OE1 GLN 138 1 .818 2, .318 -5, .321 1. ,00 0. .00
ATOM 279 NE2 GLN 138 3, .764 3, .346 -4, .895 1. .00 0. ,00
ATOM 280 1HE2 GLN 138 4, .232 4 , .204 -4. .817 1. ,00 0. ,00
ATOM 281 2HE2 GLN 138 4, .196 2, .479 -4, .756 1. .00 0. ,00
ATOM 282 QE2 GLN 138 4, .214 3, .341 -4, .787 1. 00 0. ,00
ATOM 283 C GLN 138 1, .353 5. .941 -3. .542 1. 00 0. ,00
ATOM 284 O GLN 138 1, .996 5, .064 -2, .959 1. ,00 0. .00
ATOM 285 N GLU 139 1, .895 7, .068 -3, .979 1. .00 0. ,00
ATOM 286 H GLU 139 1, .327 7, .724 -4, .431 1. 00 0. ,00 223
ATOM 287 CA GLU 139 -3.308 7.361 -3 .798 1 .00 0 .00
ATOM 288 HA GLU 139 -3.669 6.746 -2 .987 1 .00 0 .00
ATOM 289 CB GLU 139 -3.517 8.836 -3 .433 1 .00 0 .00
ATOM 290 1HB GLU 139 -4.174 8.890 -2 .577 1 .00 0 .00
ATOM 291 2HB GLU 139 -3.987 9.335 -4 .267 1 .00 0 .00
ATOM 292 QB GLU 139 -4.080 9.112 -3 .422 1 .00 0 .00
ATOM 293 CG GLU 139 -2.235 9.581 -3 .094 1 .00 0 .00
ATOM 294 1HG GLU 139 -2.431 10.643 -3 .125 1 .00 0 .00
ATOM 295 2HG GLU 139 -1.482 9.334 -3 .827 1 .00 0 .00
ATOM 296 QG GLU 139 -1.956 9.988 -3 .476 1 .00 0 .00
ATOM 297 CD GLU 139 -1.707 9.228 -1 .723 1 .00 0 .00
ATOM 298 OE1 GLU 139 -0.570 8.721 -1 .643 1 .00 0 .00
ATOM 299 OE2 GLU 139 -2.435 9.448 -0 .734 1 .00 0 .00
ATOM 300 C GLU 139 -4.099 7.026 -5 .057 1 .00 0 .00
ATOM 301 0 GLU 139 -4.036 7.744 -6 .056 1 .00 0 .00
ATOM 302 N ARG+ 140 -4.855 5.942 -4 .999 1 .00 0 .00
ATOM 303 H ARG+ 140 -4.877 5.418 -4 .169 1 .00 0 .00
ATOM 304 CA ARG+ 140 -5.674 5.519 -6 .123 1 .00 0 .00
ATOM 305 HA ARG+ 140 -5.253 5.943 -7 .023 1 .00 0 .00
ATOM 306 CB ARG+ 140 -5.672 3.987 -6 .234 1 .00 0 .00
ATOM 307 1HB ARG+ 140 -6.222 3.582 -5 .396 1 .00 0 .00
ATOM 308 2HB ARG+ 140 -4.653 3.635 -6 .186 1 .00 0 .00
ATOM 309 QB ARG+ 140 -5.437 3.608 -5 .791 1 .00 0 .00
ATOM 310 CG ARG+ 140 -6.300 3.455 -7 .514 1 .00 0 .00
ATOM 311 1HG ARG+ 140 -7.302 3.853 -7 .602 1 .00 0 .00
ATOM 312 2HG ARG+ 140 -6.343 2.378 -7 .461 1 .00 0 .00
ATOM 313 QG ARG+ 140 -6.822 3.115 -7 .532 1 .00 0 .00
ATOM 314 CD ARG+ 140 -5.500 3.858 -8 .742 1 .00 0 .00
ATOM 315 1HD ARG+ 140 -4.499 4.124 -8 .434 1 .00 0 .00
ATOM 316 2HD ARG+ 140 -5.977 4.719 -9 .195 1 .00 0 .00
ATOM 317 QD ARG+ 140 -5.238 4.421 -8 .815 1, .00 0, .00
ATOM 318 NE ARG+ 140 -5.427 2.783 -9 .731 1 .00 0 .00
ATOM 319 HE ARG+ 140 -5.074 1.918 -9 .431 1 .00 0 .00
ATOM 320 CZ ARG+ 140 -5.794 2.926 -11 .006 1, .00 0 .00
ATOM 321 NH1 ARG+ 140 -6.333 4.067 -11 .418 1, .00 0 .00
ATOM 322 1HH1 ARG+ 140 -6.471 4.827 -10 .767 1, .00 0 .00
ATOM 323 2HH1 ARG+ 140 -6.619 4.179 -12 .369 1, .00 0, .00
ATOM 324 QH1 ARG+ 140 -6.545 4.503 -11, .568 1. .00 0. .00
ATOM 325 NH2 ARG+ 140 -5.647 1.919 -11, .860 1. .00 0. .00
ATOM 326 1HH2 ARG+ 140 -5.260 1.050 -11. .551 1. .00 0. .00
ATOM 327 2HH2 ARG+ 140 -5.924 2.027 -12 .816 1, .00 0, .00
ATOM 328 QH2 ARG+ 140 -5.592 1.538 -12 .184 1, .00 0. .00
ATOM 329 C ARG+ 140 -7.095 6.036 -5, .946 1, .00 0, .00
ATOM 330 0 ARG+ 140 -7.950 5.344 -5 .398 1, .00 0, .00
ATOM 331 N MET 141 -7.343 7.260 -6 .405 1. .00 0. .00
ATOM 332 H MET 141 -6.618 7.764 -6, .830 1. .00 0. ,00
ATOM 333 CA MET 141 -8.666 7.878 -6, .285 1. .00 0. .00
ATOM 334 HA MET 141 -9.029 7.687 -5. .288 ,1. ,00 0. ,00
ATOM 335 CB MET 141 -8.558 9.392 -6 .495 1. .00 0. .00
ATOM 336 1HB MET 141 -8.693 9.606 -7, .546 1. .00 0. .00
ATOM 337 2HB MET 141 -7.573 9.717 -6, .194 1. ,00 0. .00
ATOM 338 QB MET 141 -8.133 9.661 -6, .870 1. .00 0. .00
ATOM 339 CG MET 141 -9.586 10.194 -5, .712 1. ,00 0. ,00
ATOM 340 1HG MET 141 -9.453 9.992 -4. .659 1. 00 0. 00
ATOM 341 2HG MET 141 -10.573 9.876 -6. ,015 1. 00 0. 00
ATOM 342 QG MET 141 -10.013 9.934 -5. .337 1. 00 0. 00
ATOM 343 SD MET 141 -9.448 11.973 -5. ,983 1. 00 0. 00
ATOM 344 QE MET 141 -7.323 12.269 -5. .799 1. 00 0. 00
ATOM 345 CE MET 141 -7.679 12.219 -5, .829 1. 00 0. ,00
ATOM 346 IHE MET 141 -7.422 12.357 -4, .789 1. 00 0. 00
ATOM 347 2HE MET 141 -7.388 13.096 -6. .390 1. 00 0. 00
ATOM 348 3HE MET 141 -7.159 11.356 -6. ,217 1. 00 0. 00
ATOM 349 C MET 141 -9.655 7.280 -7. ,290 1. 00 0. 00
ATOM 350 0 MET 141 -10.517 7.980 -7. ,821 1. 00 0. 00
ATOM 351 N ASP 142 -9.520 5.986 -7. 536 1. 00 0. 00
ATOM 352 H ASP 142 -8.816 5.490 -7. 076 1. 00 0. 00
ATOM 353 CA ASP 142 -10.375 5.278 -8. 464 1. 00 0. 00
ATOM 354 HA ASP 142 -11.043 5.990 -8. ,924 1. 00 0. 00
ATOM 355 CB ASP 142 -9.525 4.610 -9. 546 1. 00 0. 00
ATOM 356 1HB ASP 142 -10.180 4.165 -10. 269 1. 00 0. 00
ATOM 357 2HB ASP 142 -8.924 3.838 -9. 093 1. 00 0. 00
ATOM 358 QB ASP 142 -9.552 4.001 -9. 681 1. 00 0. 00 224
ATOM 359 CG ASP 142 -8, .601 5 .570 -10 .262 1, .00 0 .00
ATOM 360 OD1 ASP 142 -8, .927 5 .977 -11, .392 1, .00 0 .00
ATOM 361 OD2 ASP 142 -7, .522 5 .882 -9 .712 1 .00 0 .00
ATOM 362 C ASP 142 -11 .184 4 .210 -7 .744 1 .00 0 .00
ATOM 363 O ASP 142 -12 .403 4 .123 -7 .894 1 .00 0 .00
ATOM 364 N VAL 143 -10 .489 3 .379 -6 .977 1 .00 0 .00
ATOM 365 H VAL 143 -9 .520 3 .491 -6 .909 1 .00 0 .00
ATOM 366 CA VAL 143 -11 .132 2 .294 -6 .252 1 .00 0 .00
ATOM 367 HA VAL 143 -12 .059 2 .066 -6 .759 1 .00 0 .00
ATOM 368 CB VAL 143 -10, .252 1 .023 -6 .258 1 .00 0 .00
ATOM 369 HB VAL 143 -9, .661 1 .016 -5 .351 1 .00 0 .00
ATOM 370 QG1 VAL 143 -11, .317 -0 .528 -6 .273 1, .00 0 .00
ATOM 371 QG2 VAL 143 -9 .076 1 .020 -7 .727 1 .00 0 .00
ATOM 372 CGI VAL 143 -11 .115 -0 .230 -6 .269 1 .00 0 .00
ATOM 373 1HG1 VAL 143 -10 .591 -1. .019 -6 .788 1 .00 0 .00
ATOM 374 2HG1 VAL 143 -12, .045 -0. .023 -6 .775 1 .00 0 .00
ATOM 375 3HG1 VAL 143 -11, .316 -0 .540 -5 .254 1, .00 0 .00
ATOM 376 CG2 VAL 143 -9, .300 1 .021 -7 .446 1, .00 0 .00
ATOM 377 1HG2 VAL 143 -8, .300 1 .245 -7, .106 1, .00 0 .00
ATOM 378 2HG2 VAL 143 -9, .615 1, .768 -8 .159 1, .00 0 .00
ATOM 379 3HG2 VAL 143 -9, .313 0, .048 -7, .914 1, .00 0, .00
ATOM 380 QQG VAL 143 -10, .196 0, .246 -7, .000 1, .00 0, .00
ATOM 381 C VAL 143 -11, .449 2 .706 -4 .812 1 .00 0 .00
ATOM 382 O VAL 143 -10, .813 3 .600 -4, .259 1, .00 0 .00
ATOM 383 N CYS 144 -12, .441 2 .051 -4, .217 1, .00 0 .00
ATOM 384 H CYS 144 -12, .912 1 .350 -4, .713 1, .00 0 .00
ATOM 385 CA CYS 144 -12, .858 2, .348 -2, .847 1, .00 0, .00
ATOM 386 HA CYS 144 -12. .032 2, .825 -2, .331 1, .00 0, .00
ATOM 387 CB CYS 144 -14, .060 3 .291 -2 .856 1, .00 0 .00
ATOM 388 1HB CYS 144 -14, .671 3 .088 -1 .989 1, .00 0 .00
ATOM 389 2HB CYS 144 -14, .641 3, .110 -3, .748 1, .00 0 .00
ATOM 390 QB CYS 144 -14 .656 3 .099 -2 .869 1 .00 0 .00
ATOM 391 SG CYS 144 -13, .630 5 .059 -2 .830 1 .00 0 .00
ATOM 392 C CYS 144 -13, .230 1 .071 -2 .114 1 .00 0 .00
ATOM 393 O CYS 144 -14, .377 0 .624 -2 .178 1, .00 0 .00
ATOM 394 N GLU 145 -12, .264 0 .481 -1, .428 1, .00 0 .00
ATOM 395 H GLU 145 -11, .368 0 .878 -1, .416 1, .00 0 .00
ATOM 396 CA GLU 145 -12, .498 -0, .752 -0, .703 1. .00 0, .00
ATOM 397 HA GLU 145 -13. .540 -1, .007 -0, .814 1, .00 0, .00
ATOM 398 CB GLU 145 -11, .658 -1, .866 -1. .311 1, .00 0, .00
ATOM 399 1HB GLU 145 -11, .465 -2 .612 -0 .557 1, .00 0 .00
ATOM 400 2HB GLU 145 -10, .715 -1 .451 -1 .641 1, .00 0 .00
ATOM 401 QB GLU 145 -11, .090 -2 .032 -1 .099 1, .00 0 .00
ATOM 402 CG GLU 145 -12, .333 -2 .546 -2, .493 1, .00 0, .00
ATOM 403 1HG GLU 145 -11, .849 -3, .495 -2, .673 1, .00 0, .00
ATOM 404 2HG GLU 145 -12. .228 -1, .918 -3, .364 1, .00 0, .00
ATOM 405 QG GLU 145 -12. .038 -2, .707 -3, .019 1. .00 0, .00
ATOM 406 CD GLU 145 -13. .805 -2, .792 -2, .245 1. .00 0, .00
ATOM 407 OE1 GLU 145 -14, .618 -2 .484 -3 .135 1, .00 0 .00
ATOM 408 OE2 GLU 145 -14, .154 -3 .263 -1 .140 1, .00 0 .00
ATOM 409 C GLU 145 -12, .185 -0 .609 0, .777 1. .00 0, .00
ATOM 410 O GLU 145 -11, .759 0, .452 1, .236 1, .00 0, .00
ATOM 411 N THR 146 -12, .412 -1, .688 1, .511 1. .00 0, .00
ATOM 412 H THR 146 -12. .757 -2, .494 1, .073 1. .00 0, .00
ATOM 413 CA THR 146 -12. .176 -1, .718 2. .945 1. .00 0, .00
ATOM 414 HA THR 146 -12, .591 -0 .818 3, .375 1, .00 0, .00
ATOM 415 CB THR 146 -12, .886 -2, .935 3, .541 1, .00 0, .00
ATOM 416 HB THR 146 -12, .200 -3, .770 3, .545 1. .00 0, .00
ATOM 417 QG2 THR 146 -13, .481 -2 .676 5 .300 1, .00 0 .00
ATOM 418 OG1 THR 146 -14, .010 -3 .290 2 .750 1, .00 0 .00
ATOM 419 1HG THR 146 -14, .740 -3, .540 3 .323 1, .00 0, .00
ATOM 420 CG2 THR 146 -13, .367 -2, .726 4, .961 1. .00 0, .00
ATOM 421 1HG2 THR 146 -12, .554 -2, .908 5, .648 1. .00 0, .00
ATOM 422 2HG2 THR 146 -14, .176 -3. .409 5, .174 1. .00 0. .00
ATOM 423 3HG2 THR 146 -13. .715 -1. .709 5, .079 1. .00 0. .00
ATOM 424 C THR 146 -10. .679 -1. .774 3, .248 1. .00 0. .00
ATOM 425 O THR 146 -9. .867 -2. .071 2, .366 1. .00 0. .00
ATOM 426 N HIS+ 147 -10, .325 -1, .499 4, .501 1. .00 0. .00
ATOM 427 H HIS+ 147 -11. .027 -1, .275 5, .153 1. .00 0, .00
ATOM 428 CA HIS+ 147 -8. .931 -1, .522 4, .945 1. .00 0. .00
ATOM 429 HA HIS+ 147 -8. .393 -0, .754 4, .409 1. ,00 0. .00
ATOM 430 CB HIS+ 147 -8. .863 -1. .226 6, .446 1. ,00 0. .00 - 225
ATOM 431 1HB HIS+ 147 -8.844 -2.161 6.988 00 0.00
ATOM 432 2HB HIS+ 147 -9.742 -0.668 6.736 00 0.00
ATOM 433 QB HIS+ 147 -9.293 -1.415 6.862 00 0.00
ATOM 434 CG HIS+ 147 -7.664 -0.432 6.857 00 0.00
ATOM 435 ND1 HIS+ 147 -7.685 0.937 7.010 00 0.00
ATOM 436 CD2 HIS+ 147 -6.403 -0.824 7.160 00 0.00
ATOM 437 1HD HIS+ 147 -8.465 1.521 6.856 1.00 0.00
ATOM 438 CE1 HIS+ 147 -6.491 354 7.391 1.00 00
ATOM 439 NE2 HIS+ 147 -5.693 306 7.491 1.00 00
ATOM 440 2HD HIS+ 147 -6.019 -1.836 7.123 1.00 00
ATOM 441 IHE HIS+ 147 -6.212 2.381 7.584 1.00 00
ATOM 442 2HE HIS+ 147 -4.716 0.352 7.582 00 0.00
ATOM 443 C HIS+ 147 -8.281 -2.875 4.661 00 0.00
ATOM 444 O HIS+ 147 -7.082 -2.957 4.393 00 0.00
ATOM 445 N LEU 148 -9.081 -3.934 4.724 00 0.00
ATOM 446 H LEU 148 -10.026 -3.802 4.943 00 0.00
ATOM 447 CA LEU 148 -8.590 -5.285 4.479 1.00 0.00
ATOM 448 HA LEU 148 -7.681 -5.413 5.047 1.00 0.00
ATOM 449 CB LEU 148 -9.619 -6.314 4.955 1.00 0.00
ATOM 450 1HB LEU 148 -10.293 -6.521 4.137 1.00 00
ATOM 451 2HB LEU 148 -10.186 -5.877 5.765 1.00 00
ATOM 452 QB LEU 148 -10.239 -6.199 4.951 1.00 00
ATOM 453 CG LEU 148 -9.032 -7.641 5.438 1.00 00
ATOM 454 HG LEU 148 -7.958 -7.548 5.506 00 00
ATOM 455 QD1 LEU 148 -9.686 -8.073 7.146 00 0.00
ATOM 456 QD2 LEU 148 -9.423 -9.019 4.219 00 0.00
ATOM 457 CD1 LEU 148 -9.561 -7.989 6.819 00 0.00
ATOM 458 1HD1 LEU 148 -8.779 -8.463 7.394 00 0.00
ATOM 459 2HD1 LEU 148 -10.397 -8.667 6.724 00 0.00
ATOM 460 3HD1 LEU 148 -9.882 -7.089 7.321 00 00
ATOM 461 CD2 LEU 148 -9.348 -8.754 4.453 00 00
ATOM 462 1HD2 LEU 148 -9.571 -9.661 4.995 1.00 00
ATOM 463 2HD2 LEU 148 -8.496 -8.920 3.810 1.00 00
ATOM 464 3HD2 LEU 148 -10.202 -8.475 3.854 1.00 00
ATOM 465 QQD LEU 148 -9.554 -8.546 5.683 00 00
ATOM 466 C LEU 148 -8.281 -5.508 3.003 00 00
ATOM 467 O LEU 148 -7.322 -6.200 2.663 00 00
ATOM 468 N HIS+ 149 -9.092 -4.924 2.126 00 0.00
ATOM 469 H HIS+ 149 -9.840 -4.382 2.451 00 0.00
ATOM 470 CA HIS+ 149 -8.888 -5.077 0.690 00 0.00
ATOM 471 HA HIS+ 149 -8.858 -6.136 0.479 00 0.00
ATOM 472 CB HIS+ 149 -10.033 -4.454 -0.099 1.00 0.00
ATOM 473 1HB HIS+ 149 -9.636 -3.699 -0.763 00 0.00
ATOM 474 2HB HIS+ 149 -10.731 -3.992 0.584 00 00
ATOM 475 QB HIS+ 149 -10.183 846 -0.090 00 00
ATOM 476 CG HIS+ 149 -10.784 448 -0.929 00 0.00
ATOM 477 ND1 HIS+ 149 -10.165 346 -1.773 00 0.00
ATOM 478 CD2 HIΞ+ 149 -12.112 -5.680 -1.045 1.00 0.00
ATOM 479 1HD HIS+ 149 -9.196 -6.427 -1.918 1.00 0.00
ATOM 480 CE1 HIS+ 149 -11.083 -7.086 -2.373 1.00 0.00
ATOM 481 NE2 HIS+ 149 -12.275 -6.701 -1.948 1.00 0.00
ATOM 482 2HD HIS+ 149 -12.903 -5.147 -0.531 1.00 0.00
ATOM 483 IHE HIS+ 149 -10.891 -7.873 -3.088 1.00 0.00
ATOM 484 2HE HIS+ 149 -13.126 -6.940 -2.376 1.00 0.00
ATOM 485 C HIS+ 149 -7.564 -4.469 0.264 00 0.00
ATOM 486 O HIS+ 149 -6.751 -5.140 -0.361 00 0.00
ATOM 487 N TRP 150 -7.343 -3.204 0.617 00 0.00
ATOM 488 H TRP 150 -8.029 -2.719 1.125 00 0.00
ATOM 489 CA TRP 150 -6.090 -2.529 .274 00 0.00
ATOM 490 HA TRP 150 -5.966 -2.569 .799 00 0.00
ATOM 491 CB TRP 150 -6.097 -1.075 .738 00 0.00
ATOM 492 1HB TRP 150 -5.122 -0.647 .551 00 0.00
ATOM 493 2HB TRP 150 -6.293 -1.048 .799 00 0.00
ATOM 494 QB TRP 150 -5.707 -0.848 .175 00 0.00
ATOM 495 CG TRP 150 -7.114 -0.210 .066 00 0.00
ATOM 496 CD1 TRP 150 -7.618 0.961 0.545 00 0.00
ATOM 497 CD2 TRP 150 -7.748 -0.431 -1.200 1.00 0.00
ATOM 498 CE3 TRP 150 -7.664 -1.432 -2.172 1.00 0.00
ATOM 499 CE2 TRP 150 -8.620 0.649 -1.418 1.00 0.00
ATOM 500 NE1 TRP 150 -8.524 1.481 -0.340 1.00 0.00
ATOM 501 HD TRP 150 -7.336 1.403 1.490 1.00 0.00
ATOM 502 3HE TRP 150 -7.007 -2.278 -2.046 1.00 0.00 226
ATOM 503 CZ3 TRP 150 -8 .440 -1 .326 -3 .304 1 .00 0 .00
ATOM 504 CZ2 TRP 150 -9 .399 0 .755 -2 .560 1 .00 0 .00
ATOM 505 IHE TRP 150 -9, .022 2, .317 -0 .220 1, .00 0 .00
ATOM 506 3HZ TRP 150 -8, .393 -2, .093 -4 .062 1, .00 0, .00
ATOM 507 CH2 TRP 150 -9, .296 -0, .240 -3 .489 1, .00 0, .00
ATOM 508 2HZ TRP 150 -10, .068 1, .589 -2 .722 1, .00 0, .00
ATOM 509 HH TRP 150 -9 .887 -0, .199 -4 .392 1, .00 0 .00
ATOM 510 C TRP 150 -4 .923 -3, .243 0 .910 1, .00 0 .00
ATOM 511 O TRP 150 -3, .845 -3, .296 0 .337 1, .00 0, .00
ATOM 512 N HIS+ 151 -5 .149 -3, .807 2 .089 1 .00 0 .00
ATOM 513 H HIS+ 151 -6 .041 -3 .739 2 .491 1. .00 0 .00
ATOM 514 CA HIS+ 151 -4 .108 -4, .543 2 .780 1, .00 0 .00
ATOM 515 HA HIS+ 151 -3 .272 -3, .878 2 .931 1, .00 0, .00
ATOM 516 CB HIS+ 151 -4, .620 -5, .048 4 .138 1, .00 0 .00
ATOM 517 1HB HIS+ 151 -5, .462 -5. .705 3 .970 1, .00 0, .00
ATOM 518 2HB HIS+ 151 -4 .946 -4 .203 4 .725 1 .00 0 .00
ATOM 519 QB HIΞ+ 151 -5 .204 -4 .954 4 .347 1 .00 0 .00
ATOM 520 CG HIS+ 151 -3 .603 -5, .801 4 .947 1, .00 0 .00
ATOM 521 ND1 HIS+ 151 -3, .310 -5, .502 6 .260 1, .00 0 .00
ATOM 522 CD2 HIS+ 151 -2 .818 -6 .857 4 .622 1 .00 0 .00
ATOM 523 1HD HIS+ 151 -3 .716 -4 .782 6 .790 1 .00 0 .00
ATOM 524 CE1 HIS+ 151 -2 .390 -6, .341 6 .705 1 .00 0 .00
ATOM 525 NE2 HIS+ 151 -2 .077 -7 .173 5 .732 1, .00 0 .00
ATOM 526 2HD HIS+ 151 -2 .777 -7 .349 3 .656 1 .00 0 .00
ATOM 527 IHE HIS+ 151 -1 .954 -6 .336 7 .695 1 .00 0 .00
ATOM 528 2HE HIS+ 151 -1 .499 -7 .959 5 .827 1 .00 0 .00
ATOM 529 C HIS+ 151 -3 .671 -5 .709 1 .907 1 .00 0 .00
ATOM 530 O HIS+ 151 -2 .480 -5, .941 1 .715 1, .00 0 .00
ATOM 531 N THR 152 - .650 -6, .427 1 .375 1, .00 0 .00
ATOM 532 H THR 152 -5, .579 -6, .180 1 .562 1, .00 0, .00
ATOM 533 CA THR 152 -4, .382 -7, .561 0 .511 1, .00 0, .00
ATOM 534 HA THR 152 -3, .677 -8. .202 1 .020 1, .00 0, .00
ATOM 535 CB THR 152 -5 .670 -8, .345 0 .248 1, .00 0 .00
ATOM 536 HB THR 152 -6 .272 -7, .799 -0 .467 1, .00 0 .00
ATOM 537 QG2 THR 152 -5 .372 -10, .060 -0 .445 1, .00 0 .00
ATOM 538 OG1 THR 152 -6, .418 -8, .494 1 .446 1, .00 0, .00
ATOM 539 1HG THR 152 -6, .734 -7, .632 1 .742 1, .00 0, .00
ATOM 540 CG2 THR 152 -5, .430 -9. .731 -0, .311 1. .00 0, .00
ATOM 541 1HG2 THR 152 -4. .972 -9, .651 -1 .288 1, .00 0 .00
ATOM 542 2HG2 THR 152 -6 .371 -10, .252 -0 .396 1, .00 0, .00
ATOM 543 3HG2 THR 152 -4 .774 -10, .277 0, .349 1, .00 0, .00
ATOM 544 C THR 152 -3 .751 -7, .105 -0 .796 1, .00 0, .00
ATOM 545 O THR 152 -2 .720 -7, .631 -1 .181 1 .00 0 .00
ATOM 546 N VAL 153 -4 .360 -6 .115 -1 .456 1, .00 0 .00
ATOM 547 H VAL 153 -5 .177 -5. .718 -1 .080 1, .00 0 .00
ATOM 548 CA VAL 153 -3 .828 -5, .593 -2 .718 1, .00 0, .00
ATOM 549 HA VAL 153 -3 .848 -6, .395 -3 .440 1, .00 0, .00
ATOM 550 CB VAL 153 -4 .682 -4 .423 -3 .258 1, .00 0 .00
ATOM 551 HB VAL 153 -4 .636 -3 .610 -2 .549 1, .00 0 .00
ATOM 552 QG1 VAL 153 -4 .013 -3 .808 -4 .906 1, .00 0 .00
ATOM 553 QG2 VAL 153 -6 .476 -4 .951 -3 .441 1, .00 0 .00
ATOM 554 CGI VAL 153 -4 .141 -3 .924 -4 .590 1 .00 0 .00
ATOM 555 1HG1 VAL 153 -3 .062 -3 .974 -4 .582 1, .00 0 .00
ATOM 556 2HG1 VAL 153 -4 .455 -2 .903 -4 .748 1, .00 0 .00
ATOM 557 3HG1 VAL 153 -4 .522 -4. .546 -5 .387 1, .00 0 .00
ATOM 558 CG2 VAL 153 -6, .134 -4, .849 -3. .405 1. .00 0. .00
ATOM 559 1HG2 VAL 153 -6, .594 -4, .900 -2. .430 1. ,00 0. .00
ATOM 560 2HG2 VAL 153 -6 .176 -5, .821 -3. .876 1. .00 0, .00
ATOM 561 3HG2 VAL 153 -6, .660 -4, .130 -4, .015 1. ,00 0, .00
ATOM 562 QQG VAL 153 -5, .244 -4. .379 -4. .173 1. ,00 0, .00
ATOM 563 C VAL 153 -2 .388 -5 .140 -2, .544 1, .00 0, .00
ATOM 564 O VAL 153 -1 .514 -5, .479 -3, .339 1. .00 0, .00
ATOM 565 N ALA 154 -2 .146 -4, .391 -1, .487 1. .00 0, .00
ATOM 566 H ALA 154 -2, .890 -4, .166 -0, .881 1. .00 0, .00
ATOM 567 CA ALA 154 -0, .813 -3. .907 -1, .187 1. ,00 0. .00
ATOM 568 HA ALA 154 -0, .458 -3. .337 -2. .033 1. ,00 0. .00
ATOM 569 QB ALA 154 -0 .874 -2, .778 0, .308 1. .00 0, .00
ATOM 570 CB ALA 154 -0 .863 -2, .995 0, .022 1. .00 0, .00
ATOM 571 1HB ALA 154 -0, .273 -2, .110 -0, .172 1. .00 0. .00
ATOM 572 2HB ALA 154 -0, .463 -3, .513 0. .880 1. ,00 0. .00
ATOM 573 3HB ALA 154 -1 .886 -2, .710 0, .217 1. .00 0, .00
ATOM 574 C ALA 154 0 .141 -5, .068 -0, .924 1. .00 0, .00 227
ATOM 575 O ALA 154 1 .241 -5 .131 -1 .479 1 .00 0 .00
ATOM 576 N LYS+ 155 -0 .289 -5 .980 -0 .060 1 .00 0 .00
ATOM 577 H LYS+ 155 -1 .174 -5 .863 0 .350 1 .00 0 .00
ATOM 578 CA LYS+ 155 0 .512 -7 .141 0 .310 1 .00 0 .00
ATOM 579 HA LYS+ 155 1 .463 -6 .780 0 .688 1 .00 0 .00
ATOM 580 CB LYS+ 155 -0 .194 -7 .937 1 .414 1 .00 0 .00
ATOM 581 1HB LYS+ 155 -1 .154 -8 .264 1 .041 1 .00 0 .00
ATOM 582 2HB LYS+ 155 -0 .355 -7 .287 2 .261 1 .00 0 .00
ATOM 583 QB LYS+ 155 -0 .754 -7 .776 1 .651 1 .00 0 .00
ATOM 584 CG LYS+ 155 0 .573 -9 .161 1 .892 1 .00 0 .00
ATOM 585 1HG LYS+ 155 0 .977 -8 .960 2 .874 1 .00 0 .00
ATOM 586 2HG LYS+ 155 1 .379 -9 .362 1 .201 1 .00 0 .00
ATOM 587 QG LYS+ 155 1 .178 -9 .161 2 .037 1 .00 0 .00
ATOM 588 CD LYS+ 155 -0 .332 -10 .382 1 .967 1 .00 0 .00
ATOM 589 1HD LYS+ 155 -1 .338 -10 .087 1 .699 1 .00 0 .00
ATOM 590 2HD LYS+ 155 -0 .327 -10 .763 2 .977 1, .00 0 .00
ATOM 591 QD LYS+ 155 -0 .832 -10 .425 2 .338 1, .00 0 .00
ATOM 592 CE LYS+ 155 0 .128 -11, .481 1 .020 1, .00 0, .00
ATOM 593 IHE LYS+ 155 0 .148 -11. .085 0 .014 1. .00 0, .00
ATOM 594 2HE LYS+ 155 -0 .577 -12, .299 1 .068 1, .00 0, .00
ATOM 595 QE LYS+ 155 -0 .214 -11, .692 0 .541 1. .00 0, .00
ATOM 596 NZ LYS+ 155 1 .485 -11 .987 1 .370 1 .00 0 .00
ATOM 597 1HZ LYS+ 155 1 .678 -11 .835 2 .380 1, .00 0, .00
ATOM 598 2HZ LYS+ 155 2 .216 -11 .485 0 .810 1, .00 0 .00
ATOM 599 3HZ LYS+ 155 1 .553 -13 .005 1 .165 1, .00 0 .00
ATOM 600 QZ LYS+ 155 1 .816 -12 .109 1 .451 1, .00 0, .00
ATOM 601 C LYS+ 155 0 .785 -8, .042 -0 .884 1, .00 0 .00
ATOM 602 O LYS+ 155 1 .921 -8, .464 -1 .079 1, .00 0, .00
ATOM 603 N GLU 156 -0 .243 -8, .350 -1 .672 1, .00 0, .00
ATOM 604 H GLU 156 -1 .142 -7, .995 -1 .467 1, .00 0, .00
ATOM 605 CA GLU 156 -0, .061 -9, .216 -2 .829 1. .00 0, .00
ATOM 606 HA GLU 156 0 .420 -10, .116 -2 .472 1. .00 0, .00
ATOM 607 CB GLU 156 -1 .398 -9, .611 -3, .476 1. .00 0, .00
ATOM 608 1HB GLU 156 -2 .017 -10. .087 -2, .729 1. .00 0. .00
ATOM 609 2HB GLU 156 -1, .202 -10. .321 -4, .265 1. .00 0, .00
ATOM 610 QB GLU 156 -1 .609 -10, .204 -3 .497 1, .00 0 .00
ATOM 611 CG GLU 156 -2 .189 -8, .462 -4 .074 1. .00 0, .00
ATOM 612 1HG GLU 156 -1 .872 -8, .313 -5 .096 1, .00 0, .00
ATOM 613 2HG GLU 156 -1, .996 -7, .567 -3 .502 1, .00 0, .00
ATOM 614 QG GLU 156 -1 .934 -7. .940 -4 .299 1. .00 0, .00
ATOM 615 CD GLU 156 -3 .679 -8. .731 -4 .064 1. .00 0, .00
ATOM 616 OE1 GLU 156 -4 .097 -9, .716 -3, .420 1. .00 0, .00
ATOM 617 OE2 GLU 156 -4, .428 -7. .955 -4 .691 1. .00 0, .00
ATOM 618 C GLU 156 0, .872 -8. .569 -3, .843 1. ,00 0. .00
ATOM 619 O GLU 156 1, .722 -9. .243 -4, .401 1. .00 0. .00
ATOM 620 N THR 157 0, .736 -7. .262 -4, .055 1. ,00 0. .00
ATOM 621 H THR 157 0. .045 -6. .764 -3, .563 1. .00 0. .00
ATOM 622 CA THR 157 1. .606 -6. .549 -4, .991 1. .00 0. .00
ATOM 623 HA THR 157 1. .465 -6. ,985 -5. .969 1. ,00 0. .00
ATOM 624 CB THR 157 1, .226 -5. .063 -5 .045 1. .00 0, .00
ATOM 625 HB THR 157 1, .297 -4, .648 -4 .049 1. .00 0, .00
ATOM 626 QG2 THR 157 2, .327 -4. .044 -6, .170 1. ,00 0, .00
ATOM 627 OG1 THR 157 -0, .104 -4. .900 -5, .501 1. ,00 0, .00
ATOM 628 1HG THR 157 -0, .716 -5. .311 -4, .872 1. .00 0, .00
ATOM 629 CG2 THR 157 2, .115 -4. ,239 -5, .954 1. ,00 0, .00
ATOM 630 1HG2 THR 157 2, .856 -4. .880 -6, .410 1. .00 0. .00
ATOM 631 2HG2 THR 157 2, .609 -3. ,472 -5. .376 1. ,00 0. ,00
ATOM 632 3HG2 THR 157 1. .514 -3. .779 -6. .724 1. ,00 0. .00
ATOM 633 C THR 157 3, .076 -6. ,708 -4. .588 1. 00 0. ,00
ATOM 634 O THR 157 3. .950 -6. ,910 -5. .431 1. 00 0. ,00
ATOM 635 N CYS 158 3. .344 -6. .620 -3. .293 1. 00 0. .00
ATOM 636 H CYS 158 2, .610 -6. .455 -2, .660 1. ,00 0. .00
ATOM 637 CA CYS 158 4, .705 -6. .759 -2, .792 1. ,00 0. .00
ATOM 638 HA CYS 158 5, .360 -6. .240 -3, .476 1. 00 0. .00
ATOM 639 CB CYS 158 4, .823 -6. .109 -1, .414 1. 00 0. ,00
ATOM 640 1HB CYS 158 5, .671 -6. .517 -0. .897 1. ,00 0. ,00
ATOM 641 2HB CYS 158 3, .932 -6. ,329 -0. .850 1. 00 0. ,00
ATOM 642 QB CYS 158 4. .802 -6. ,423 -0. .874 1. 00 0. ,00
ATOM 643 SG CYS 158 5. ,011 -4. 289 -1. ,471 1. 00 0. 00
ATOM 644 C CYS 158 5. 130 -8. 231 -2. 739 1. 00 0. 00
ATOM 645 O CYS 158 6. 259 -8. 565 -3. 102 1. 00 0. 00
ATOM 646 N SER 159 4. 229 -9. 101 -2. 281 1. 00 0. 00 228 -
ATOM 647 H SER 159 3, .351 -8 .770 -1, .996 1, .00 0 .00
ATOM 648 CA SER 159 4. .513 -10 .534 -2, .172 1, .00 o. .00
ATOM 649 HA SER 159 5 .465 -10 .637 -1 .672 1, .00 0 .00
ATOM 650 CB SER 159 3 .443 -11 .229 -1 .332 1, .00 0 .00
ATOM 651 1HB SER 159 3, .549 -12 .300 -1, .437 1, .00 0 .00
ATOM 652 2HB SER 159 2, .465 -10 .928 -1, .681 1. .00 0, .00
ATOM 653 QB SER 159 3 .007 -11 .614 -1 .559 1, .00 0 .00
ATOM 654 OG SER 159 3, .568 -10 .886 0 .043 1, .00 0 .00
ATOM 655 HG SER 159 4, .491 -10 .673 0, .232 1. .00 0 .00
ATOM 656 C SER 159 4, .617 -11, .216 -3, .539 1. ,00 0, .00
ATOM 657 O SER 159 5. .293 -12, .233 -3, .663 1. .00 0, .00
ATOM 658 N GLU 160 3, .957 -10 .658 -4, .557 1, .00 0, .00
ATOM 659 H GLU 160 3, .432 -9 .843 -4, .402 1, .00 0, .00
ATOM 660 CA GLU 160 4, .009 -11, .226 -5. .904 1. .00 0. .00
ATOM 661 HA GLU 160 3, .750 -12 .273 -5, .841 1, .00 0 .00
ATOM 662 CB GLU 160 3 .027 -10 .509 -6 .838 1 .00 0 .00
ATOM 663 1HB GLU 160 3 .537 -9 .680 -7 .310 1, .00 0 .00
ATOM 664 2HB GLU 160 2, .204 -10 .126 -6 .254 1, .00 0 .00
ATOM 665 QB GLU 160 2 .871 -9 .903 -6 .782 1 .00 0 .00
ATOM 666 CG GLU 160 2 .461 -11 .398 -7 .933 1, .00 0 .00
ATOM 667 1HG GLU 160 1 .673 -12 .007 -7 .515 1, .00 0 .00
ATOM 668 2HG GLU 160 3 .249 -12 .035 -8 .306 1 .00 0 .00
ATOM 669 QG GLU 160 2 .461 -12 .021 -7 .911 1 .00 0 .00
ATOM 670 CD GLU 160 1 .895 -10 .603 -9 .091 1, .00 0 .00
ATOM 671 OE1 GLU 160 1 .000 -11 .125 -9, .785 1, .00 0 .00
ATOM 672 OE2 GLU 160 2, .348 -9 .459 -9, .302 1, .00 0, .00
ATOM 673 C GLU 160 5 .429 -11 .095 -6 .433 1, .00 0 .00
ATOM 674 O GLU 160 5, .903 -11 .904 -7 .231 1, .00 0 .00
ATOM 675 N LYS+ 161 6 .110 -10 .078 -5, .928 1, .00 0, .00
ATOM 676 H LYS+ 161 5 .674 -9 .499 -5 .272 1, .00 0 .00
ATOM 677 CA LYS+ 161 7 .488 -9 .821 -6 .274 1, .00 0 .00
ATOM 678 HA LYS+ 161 7, .684 -10 .265 -7 .240 1, .00 0 .00
ATOM 679 CB LYS+ 161 7, .757 -8 .311 -6, .329 1. .00 0, .00
ATOM 680 1HB LYS+ 161 8 .086 -7 .982 -5 .354 1, .00 0 .00
ATOM 681 2HB LYS+ 161 6, .836 -7 .805 -6 .573 1, .00 0 .00
ATOM 682 QB LYS+ 161 7, .461 -7 .894 -5 .964 1. .00 0, .00
ATOM 683 CG LYS+ 161 8 .814 -7 .913 -7 .352 1, .00 0 .00
ATOM 684 1HG LYS+ 161 8 .322 -7 .458 -8 .202 1, .00 0 .00
ATOM 685 2HG LYS+ 161 9, .339 -8 .799 -7, .673 1. .00 0, .00
ATOM 686 QG LYS+ 161 8. .831 -8 .129 -7, .938 1. .00 0, .00
ATOM 687 CD LYS+ 161 9. .819 -6 .924 -6 . .778 1. .00 0, .00
ATOM 688 1HD LYS+ 161 9 .787 -6 .979 -5 .700 1, .00 0, .00
ATOM 689 2HD LYS+ 161 9. .549 -5 .928 -7, .098 1. .00 0, .00
ATOM 690 QD LYS+ 161 9, .668 -6 .454 -6. .399 1. .00 0. .00
ATOM 691 CE LYS+ 161 11, .235 -7 .228 -7 .254 1, .00 0 .00
ATOM 692 IHE LYS+ 161 11 .664 -6 .323 -7, .661 1. .00 0 .00
ATOM 693 2HE LYS+ 161 11, .187 -7 .980 -8, .028 1. .00 0. .00
ATOM 694 QE LYS+ 161 11, .426 -7 .152 -7, .845 1. ,00 0, .00
ATOM 695 NZ LYS+ 161 12 .107 -7 .726 -6 .151 1, .00 0 .00
ATOM 696 1HZ LYS+ 161 11, .878 -7 .242 -5, .261 1. .00 0, .00
ATOM 697 2HZ LYS+ 161 13, .107 -7 .554 -6. .378 1. ,00 0. .00
ATOM 698 3HZ LYS+ 161 11, .968 -8 .760 -6, .017 1. ,00 0, .00
ATOM 699 QZ LYS+ 161 12. .318 -7, .852 -5. .886 1. ,00 0. .00
ATOM 700 C LYS+ 161 8, .364 -10 .485 -5, .222 1. ,00 0, .00
ATOM 701 O LYS+ 161 8. .096 -11 .604 -4, .798 1. .00 0, .00
ATOM 702 N SER 162 9, .397 -9 .799 -4. .783 1. ,00 0. .00
ATOM 703 H SER 162 9, .565 -8 .908 -5, .136 1. .00 0, .00
ATOM 704 CA SER 162 10. .272 -10 .348 -3, .767 1. ,00 0, .00
ATOM 705 HA SER 162 9, .891 -11 .322 -3. .503 1. ,00 0. .00
ATOM 706 CB SER 162 11. .694 -10, .503 -4. .308 1. 00 0. .00
ATOM 707 1HB SER 162 12. .071 -11. .482 -4. ,042 1. 00 0. ,00
ATOM 708 2HB SER 162 12. .327 -9, .745 -3. .867 1. ,00 0. .00
ATOM 709 QB SER 162 12, .199 -10, .614 -3. .955 1. 00 0. ,00
ATOM 710 OG SER 162 11. .723 -10, .365 -5. .726 1. 00 0. ,00
ATOM 711 HG SER 162 11, .614 -11 .238 -6, .128 1. ,00 0. .00
ATOM 712 C SER 162 10. .275 -9, .473 -2. .518 1. 00 0. ,00
ATOM 713 O SER 162 11. .334 -9, .087 -2. .039 1. 00 0. ,00
ATOM 714 N THR 163 9. ,091 -9, .146 -1. ,995 1. 00 0. ,00
ATOM 715 H THR 163 8 .263 -9 .469 -2, .420 1. .00 0, .00
ATOM 716 CA THR 163 9. .002 -8 .322 -0, .791 1. ,00 0. .00
ATOM 717 HA THR 163 9, .901 -8 .490 -0. .210 1. ,00 0. ,00
ATOM 718 CB THR 163 8 .913 -6 .833 -1, .129 1. ,00 0, .00 ■~j σv σ i uι 4-- 4-. w vjo ]
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P P O P ri O ri P P ri O O 3333333 3 3
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230
ATOM 791 CB ASP 167 5.186 0.142 7 .510 1 .00 0 .00
ATOM 792 1HB ASP 167 4.770 0.811 8 .250 1 .00 0 .00
ATOM 793 2HB ASP 167 5.341 0.687 6 .592 1 .00 0 .00
ATOM 794 QB ASP 167 5.056 0.749 7 .421 1 .00 0 .00
ATOM 795 CG ASP 167 6.533 -0.340 8 .008 1 .00 0 .00
ATOM 796 OD1 ASP 167 7.364 -0.756 7 .171 1 .00 0 .00
ATOM 797 OD2 ASP 167 6.762 -0.296 9 .233 1 .00 0 .00
ATOM 798 C ASP 167 3.178 -0.542 6 .198 1 .00 0 .00
ATOM 799 O ASP 167 3.495 0.265 5 .328 1 .00 0 .00
ATOM 800 N TYR 168 1.968 -1.069 6 .278 1 .00 0 .00
ATOM 801 H TYR 168 1.778 -1.709 6 .996 1 .00 0 .00
ATOM 802 CA TYR 168 0.900 -0.721 5 .336 1 .00 0 .00
ATOM 803 HA TYR 168 1.358 -0.403 4 .403 1 .00 0 .00
ATOM 804 CB TYR 168 0.023 -1.948 5 .073 1 .00 0 .00
ATOM 805 1HB TYR 168 0.441 -2.514 4 .255 1 .00 0 .00
ATOM 806 2HB TYR 168 -0.972 -1.620 4 .811 1 .00 0 .00
ATOM 807 QB TYR 168 -0.265 -2.067 4 .533 1 .00 0 .00
ATOM 808 QD TYR 168 -0.099 -2.969 6 .409 1 .00 0 .00
ATOM 809 QE TYR 168 -0.267 -4.441 8 .368 1 .00 0 .00
ATOM 810 QR TYR 168 -0.183 -3.705 7 .389 1 .00 0 .00
ATOM 811 CG TYR 168 -0.088 -2.865 6 .271 1, .00 0 .00
ATOM 812 CD1 TYR 168 0.717 -3.991 6 .388 1, .00 0 .00
ATOM 813 1HD TYR 168 1.424 -4.216 5 .604 1 .00 0 .00
ATOM 814 CE1 TYR 168 0.625 -4.821 7 .488 1 .00 0 .00
ATOM 815 IHE TYR 168 1.261 -5.691 7 .562 1 .00 0 .00
ATOM 816 CZ TYR 168 -0.279 -4.530 8 .487 1 .00 0 .00
ATOM 817 CE2 TYR 168 -1.088 -3.418 8 .393 1 .00 0 .00
ATOM 818 2HE TYR 168 -1.796 -3.190 9 .175 1, .00 0, .00
ATOM 819 CD2 TYR 168 -0.990 -2.594 7 .291 1, .00 0 .00
ATOM 820 2HD TYR 168 -1.622 -1.721 7 .214 1, .00 0 .00
ATOM 821 OH TYR 168 -0.376 -5.353 9 .582 1, .00 0, .00
ATOM 822 HH TYR 168 0.309 -5.122 10 .218 1 .00 0 .00
ATOM 823 C TYR 168 0.036 0.420 5 .869 1 .00 0 .00
ATOM 824 0 TYR 168 -0.162 0.553 7, .076 1. .00 0, .00
ATOM 825 N GLY 169 -0.495 1.215 4, .956 1. .00 0, .00
ATOM 826 H GLY 169 -0.315 1.044 4, .008 1. .00 0, .00
ATOM 827 CA GLY 169 -1.353 2.321 5, .321 1. .00 0, .00
ATOM 828 1HA GLY 169 -0.759 3.222 5, .403 1. .00 0, .00
ATOM 829 2HA GLY 169 -1.818 2.112 6. .274 1. .00 0. .00
ATOM 830 QA GLY 169 -1.288 2.667 5, .838 1. ,00 0. .00
ATOM 831 C GLY 169 -2.417 2.526 4, .274 1. .00 0. .00
ATOM 832 O GLY 169 -2.264 2.058 3, .145 1, .00 0, .00
ATOM 833 N MET 170 -3.494 3.202 4, .628 1. .00 0, .00
ATOM 834 H MET 170 -3.566 3.546 5, .543 1, .00 0, .00
ATOM 835 CA MET 170 -4.580 3.442 3, .685 1. .00 0, .00
ATOM 836 HA MET 170 -4.170 3.382 2, .681 1. .00 0, .00
ATOM 837 CB MET 170 -5.679 2.386 3, .848 1. .00 0. .00
ATOM 838 1HB MET 170 -6.568 2.730 3, .341 1. ,00 0. .00
ATOM 839 2HB MET 170 -5.898 2.272 4 .900 1, .00 0, .00
ATOM 840 QB MET 170 -6.233 2.501 4 .120 1. .00 0, .00
ATOM 841 CG MET 170 -5.307 1.023 3, .287 1. ,00 0. .00
ATOM 842 1HG MET 170 -4.563 1.158 2, .515 1. 00 0. ,00
ATOM 843 2HG MET 170 -6.190 0.572 2. .859 1. ,00 0. ,00
ATOM 844 QG MET 170 -5.376 0.865 2. .687 1. 00 0. ,00
ATOM 845 SD MET 170 -4.642 -0.088 4. .542 1. 00 0. ,00
ATOM 846 QE MET 170 -3.297 -1.289 3. .375 1. 00 0. ,00
ATOM 847 CE MET 170 -3.522 -1.087 3. .571 1. 00 0. 00
ATOM 848 IHE MET 170 -4.090 -1.709 2. ,895 1. 00 0. 00
ATOM 849 2HE MET 170 -2.936 -1.713 4, .228 1. 00 0. ,00
ATOM 850 3HE MET 170 -2.865 -0.445 3. .004 1. 00 0. ,00
ATOM 851 C MET 170 -5.164 4.829 3. .902 1. 00 0. ,00
ATOM 852 O MET 170 -5.709 5.123 4. .966 1. 00 0. ,00
ATOM 853 N LEU 171 -5.042 5.681 2. ,897 1. 00 0. 00
ATOM 854 H LEU 171 -4.591 5.390 2. .074 1. 00 0. 00
ATOM 855 CA LEU 171 -5.554 7.043 2. .995 1. 00 0. 00
ATOM 856 HA LEU 171 -5.951 7.170 3. .991 1. 00 0. 00
ATOM 857 CB LEU 171 -4.432 8.061 2. .780 1. 00 0. 00
ATOM 858 1HB LEU 171 -4.547 8.848 3. .509 1. 00 0. 00
ATOM 859 2HB LEU 171 -4.548 8.489 1. ,794 1. 00 0. 00
ATOM 860 QB LEU 171 -4.547 8.668 2. 651 1. 00 0. 00
ATOM 861 CG LEU 171 -3.015 7.509 2. 897 1. 00 0. 00
ATOM 862 HG LEU 171 -3.029 6.615 3. 505 1. 00 0. 00 231
ATOM 863 QD1 LEU 171 -2, .344 7, .050 1, .201 1, .00 0, .00
ATOM 864 QD2 LEU 171 -1, .895 8, .763 3, .731 1, .00 0, .00
ATOM 865 CD1 LEU 171 -2, .474 7, .138 1, .526 1, .00 0, .00
ATOM 866 1HD1 LEU 171 -1. .427 6, .886 1, .610 1, .00 0, .00
ATOM 867 2HD1 LEU 171 -2. .588 7, .976 0, .852 1, .00 0, .00
ATOM 868 3HD1 LEU 171 -3, .017 6, .289 1. .141 1. .00 0, .00
ATOM 869 CD2 LEU 171 -2, .111 8. .524 3, .572 1. .00 0. ,00
ATOM 870 1HD2 LEU 171 -2, .675 9. .079 4. .305 1. .00 0. ,00
ATOM 871 2HD2 LEU 171 -1, .717 9. .203 2, .829 1. .00 0. ,00
ATOM 872 3HD2 LEU 171 -1, .294 8, .009 4, .059 1. .00 0. .00
ATOM 873 QQD LEU 171 -2, .119 7, .907 2, .466 1. ,00 0. .00
ATOM 874 C LEU 171 -6, .667 7. .300 1. .990 1. ,00 0. .00
ATOM 875 O LEU 171 -7, .223 6, .367 1. .410 1. .00 0. ,00
ATOM 876 N LEU 172 -6 .972 8, .586 1, .798 1. .00 0, .00
ATOM 877 H LEU 172 -6 .472 9 .263 2, .301 1, .00 0, .00
ATOM 878 CA LEU 172 -8 .012 9 .034 0 .868 1 .00 0 .00
ATOM 879 HA LEU 172 -8 .191 10 .080 1 .061 1, .00 0 .00
ATOM 880 CB LEU 172 -7 .538 8 .878 -0 .581 1. .00 0 .00
ATOM 881 1HB LEU 172 -8 .345 8 .442 -1 .151 1 .00 0 .00
ATOM 882 2HB LEU 172 -6 .703 8 .193 -0 .595 1 .00 0, .00
ATOM 883 QB LEU 172 -7 .524 8 .317 -0 .873 1, .00 0, .00
ATOM 884 CG LEU 172 -7 .112 10 .175 -1 .271 1, .00 0, .00
ATOM 885 HG LEU 172 -7 .830 10 .950 -1 .049 1, .00 0, .00
ATOM 886 QD1 LEU 172 -5 .432 10 .741 -0, .643 1, .00 0, .00
ATOM 887 QD2 LEU 172 -7 .062 9 .940 -3, .135 1, .00 0, .00
ATOM 888 GDI LEU 172 -5, .755 10 .633 -0, .762 1, .00 0, .00
ATOM 889 1HD1 LEU 172 -5 .813 11 .668 -0, .459 1, .00 0, .00
ATOM 890 2HD1 LEU 172 -5, .021 10, .530 -1, .550 1, .00 0, .00
ATOM 891 3HD1 LEU 172 -5, .462 10, .027 0, .081 1. .00 0, .00
ATOM 892 CD2 LEU 172 -7, .073 9, .985 -2, .778 1, .00 0, .00
ATOM 893 1HD2 LEU 172 -7, .255 8, .947 -3, .015 1. .00 0, .00
ATOM 894 2HD2 LEU 172 -6, .100 10, .273 -3, .150 1. .00 0. .00
ATOM 895 3HD2 LEU 172 -7. .831 10, .600 -3. .239 1. .00 0. .00
ATOM 896 QQD LEU 172 -6 .247 10 .341 -1, .889 1, .00 0, .00
ATOM 897 C LEU 172 -9 .323 8 .274 1, .063 1, .00 0, .00
ATOM 898 O LEU 172 -9 .754 7, .548 0, .171 1, .00 0, .00
ATOM 899 N PRO 173 -9, .986 8 .434 2, .221 1, .00 0. .00
ATOM 900 CD PRO 173 -9 .570 9 .290 3, .350 1, .00 0, .00
ATOM 901 CA PRO 173 -11 .253 7, .749 2, .487 1, .00 0, .00
ATOM 902 HA PRO 173 -11 .151 6, .678 2, .372 1, .00 0. .00
ATOM 903 CB PRO 173 -11 .550 8, .084 3, .952 1, .00 0. .00
ATOM 904 1HB PRO 173 -11 .213 7, .275 4, .583 1. .00 0, .00
ATOM 905 2HB PRO 173 -12 .613 8, .228 4, .080 1. .00 0. .00
ATOM 906 QB PRO 173 -11 .913 7, .751 4. .331 1, .00 0, .00
ATOM 907 CG PRO 173 -10, .792 9, .339 4. .224 1. .00 0. .00
ATOM 908 1HG PRO 173 -10 .506 9, .376 5. .266 1. .00 0, .00
ATOM 909 2HG PRO 173 -11 .400 10, .196 3. .972 1. .00 0. .00
ATOM 910 QG PRO 173 -10, .953 9, .786 4. .619 1. ,00 0. .00
ATOM 911 1HD PRO 173 -8, .742 8, .846 3. .884 1. ,00 0. .00
ATOM 912 2HD PRO 173 -9, .311 10, .281 3. .007 1. ,00 0. .00
ATOM 913 QD PRO 173 -9 .026 9, .563 3, .445 1, .00 0. .00
ATOM 914 C PRO 173 -12 .381 8 .246 1, .583 1, .00 0, .00
ATOM 915 O PRO 173 -12 .331 9, .362 1, .055 1, .00 0, .00
ATOM 916 N CYS 174 -13 .396 7 .417 1, .411 1. .00 0, .00
ATOM 917 H CYS 174 -13 .379 6, .542 1, .858 1, .00 0, .00
ATOM 918 CA CYS 174 -14 .540 7 .772 0, .581 1. .00 0. .00
ATOM 919 HA CYS 174 -14 .559 8, .848 0. .492 1. .00 0, .00
ATOM 920 CB CYS 174 -14 .426 7, .159 -0, .812 1. .00 0. .00
ATOM 921 1HB CYS 174 -13 .855 7 .824 -1, .442 1. .00 0, .00
ATOM 922 2HB CYS 174 -15 .417 7 .045 -1, .226 1. .00 0, .00
ATOM 923 QB CYS 174 -14 .636 7 .434 -1, .334 1, .00 0, .00
ATOM 924 SG CYS 174 -13 .621 5 .527 -0, .856 1. .00 0, .00
ATOM 925 C CYS 174 -15 .831 7 .316 1, .238 1, .00 0, .00
ATOM 926 O CYS 174 -16 .896 7, .879 0, .998 1. .00 0. .00
ATOM 927 N GLY 175 -15 .723 6, .299 2, .076 1. .00 0, .00
ATOM 928 H GLY 175 -14 .842 5, .899 2, .236 1. .00 0, .00
ATOM 929 CA GLY 175 -16 .877 5, .785 2, .776 1. .00 0. .00
ATOM 930 1HA GLY 175 -17 .146 4, .825 2. .365 1. .00 0. .00
ATOM 931 2HA GLY 175 -17 .703 6 .472 2, .651 1. .00 0, .00
ATOM 932 QA GLY 175 -17 .424 5 .648 2, .508 1, .00 0, .00
ATOM 933 C GLY 175 -16 .581 5 .628 4, .246 1, .00 0, .00
ATOM 934 O GLY 175 -15 .550 6 .107 4, .714 1. .00 0. .00 - 232
ATOM 935 N ILE 176 -17 .463 4 .952 4 .973 1 .00 0 .00
ATOM 936 H ILE 176 -18 .261 4 .586 4 .542 1 .00 0 .00
ATOM 937 CA ILE 176 -17 .257 4 .731 6 .400 1 .00 0 .00
ATOM 938 HA ILE 176 -17 .179 5 .695 6 .884 1 .00 0 .00
ATOM 939 CB ILE 176 -18 .430 3 .949 7 .035 1 .00 0 .00
ATOM 940 HB ILE 176 -18 .271 2 .898 6 .848 1 .00 0 .00
ATOM 941 QG2 ILE 176 -18 .464 4 .209 8 .899 1 .00 0 .00
ATOM 942 CG2 ILE 176 -18 .457 4 .159 8 .543 1. .00 0 .00
ATOM 943 1HG2 ILE 176 -17 .453 4 .329 8 .901 1 .00 0 .00
ATOM 944 2HG2 ILE 176 -18 .867 3 .282 9, .021 1 .00 0 .00
ATOM 945 3HG2 ILE 176 -19 .073 5 .016 8 .775 1 .00 0 .00
ATOM 946 CGI ILE 176 -19 .766 4 .372 6, .412 1 .00 0 .00
ATOM 947 1HG1 ILE 176 -20 .522 3 .646 6, .674 1 .00 0 .00
ATOM 948 2HG1 ILE 176 -19 .663 4 .405 5, .339 1 .00 0 .00
ATOM 949 QG1 ILE 176 -20 .092 4 .025 6, .006 1 .00 0 .00
ATOM 950 QD1 ILE 176 -20 .365 6 .055 6, .982 1 .00 0 .00
ATOM 951 GDI ILE 176 -20 .251 5 .732 6, .871 1 .00 0 .00
ATOM 952 1HD1 ILE 176 -21 .211 5 .943 6, .426 1 .00 0 .00
ATOM 953 2HD1 ILE 176 -19 .540 6 .488 6, .572 1 .00 0 .00
ATOM 954 3HD1 ILE 176 -20 .345 5 .734 7, .948 1 .00 0 .00
ATOM 955 C ILE 176 -15 .957 3 .958 6, .617 1, .00 0 .00
ATOM 956 O ILE 176 -15 .091 4 .377 7, .382 1 .00 0 .00
ATOM 957 N ASP 177 -15 .825 2 .845 5, .902 1, .00 0, .00
ATOM 958 H ASP 177 -16 .544 2 .586 5, .293 1. .00 0 .00
ATOM 959 CA ASP 177 -14 .626 2 .018 5 .968 1 .00 0 .00
ATOM 960 HA ASP 177 -13 .864 2 .579 6 .490 1 .00 0 .00
ATOM 961 CB ASP 177 -14 .891 0 .710 6 .723 1 .00 0 .00
ATOM 962 1HB ASP 177 -15 .443 0 .038 6 .084 1 .00 0 .00
ATOM 963 2HB ASP 177 -15, .474 0 .922 7, .606 1, .00 0, .00
ATOM 964 QB ASP 177 -15, .458 0 .480 6, .845 1, .00 0, .00
ATOM 965 CG ASP 177 -13, .608 0 .015 7. .154 1, .00 0, .00
ATOM 966 OD1 ASP 177 -13, .701 -1 .048 7, .799 1. .00 0, .00
ATOM 967 OD2 ASP 177 -12, .511 0, .525 6, .836 1, .00 0, .00
ATOM 968 C ASP 177 -14, .134 1 .718 4, .554 1, .00 0, .00
ATOM 969 O ASP 177 -13, .871 0 .570 4, .189 1, .00 0, .00
ATOM 970 N LYS+ 178 -14, .013 2 .765 3, .752 1, .00 0, .00
ATOM 971 H LYS+ 178 -14, .233 3, .657 4, .097 1, .00 0, .00
ATOM 972 CA LYS+ 178 -13, .541 2, .629 2, .381 1, .00 0, .00
ATOM 973 HA LYS+ 178 -13, .042 1, .673 2, .299 1, .00 0, .00
ATOM 974 CB LYS+ 178 -14. .687 2, .689 1, .369 1. .00 0, .00
ATOM 975 1HB LYS+ 178 -14, .290 2 .474 0, .387 1. .00 0, .00
ATOM 976 2HB LYS+ 178 -15, .090 3, .687 1. .368 1, .00 0, .00
ATOM 977 QB LYS+ 178 -14, .690 3, .080 0, .877 1. .00 0, .00
ATOM 978 CG LYS+ 178 -15, .818 1, .706 1, .653 1, .00 0, .00
ATOM 979 1HG LYS+ 178 -16, .676 2, .254 2. .015 1, .00 0, .00
ATOM 980 2HG LYS+ 178 -15, .490 1, .009 2, .412 1, .00 0. .00
ATOM 981 QG LYS+ 178 -16, .083 1, .631 2, .213 1. .00 0, .00
ATOM 982 CD LYS+ 178 -16 .216 0 .926 0, .407 1, .00 0. .00
ATOM 983 1HD LYS+ 178 -15 .655 1 .304 -0, .436 1, .00 0 .00
ATOM 984 2HD LYS+ 178 -17 .272 1 .068 0, .230 1, .00 0 .00
ATOM 985 QD LYS+ 178 -16 .463 1 .186 -0, .103 1. .00 0, .00
ATOM 986 CE LYS+ 178 -15 .938 -0 .567 0, .557 1, .00 0, .00
ATOM 987 IHE LYS+ 178 -16, .712 -1 .005 1, .172 1, .00 0, .00
ATOM 988 2HE LYS+ 178 -14, .980 -0 .696 1, .041 1, .00 0, .00
ATOM 989 QE LYS+ 178 -15, .846 -0 .851 1, .106 1, .00 0, .00
ATOM 990 NZ LYS+ 178 -15. .911 -1, .264 -0. .761 1. ,00 0. ,00
ATOM 991 1HZ LYS+ 178 -16. .870 -1, .531 -1. .053 1. .00 0. .00
ATOM 992 2HZ LYS+ 178 -15. ,326 -2, .136 -0. .704 1. .00 0. .00
ATOM 993 3HZ LYS+ 178 -15. .496 -0, .645 -1. .493 1. ,00 0. ,00
ATOM 994 QZ LYS+ 178 -15. ,897 -1, .438 -1. .084 1. ,00 0. ,00
ATOM 995 C LYS+ 178 -12. ,529 3, .712 2. .093 1. ,00 0. ,00
ATOM 996 O LYS+ 178 -12. ,727 4. .875 2. .450 1. ,00 0. ,00
ATOM 997 N PHE 179 -11. ,439 3, .319 1. .468 1. ,00 0. ,00
ATOM 998 H PHE 179 -11. .347 2. .375 1. .222 1. ,00 0. ,00
ATOM 999 CA PHE 179 -10. ,366 4, .239 1. ,157 1. 00 0. 00
ATOM 1000 HA PHE 179 -10. ,693 5. .235 1. ,411 1. 00 0. ,00
ATOM 1001 CB PHE 179 -9. ,123 3. .897 1. ,979 1. 00 0. ,00
ATOM 1002 1HB PHE 179 -8. ,397 4. .668 1. .831 1. 00 0. 00
ATOM 1003 2HB PHE 179 -8. ,710 2. .966 1. ,624 1. 00 0. 00
ATOM 1004 QB PHE 179 -8. ,553 3. ,817 1. ,727 1. 00 0. 00
ATOM 1005 QD PHE 179 -9. .405 3, .754 3. ,623 1. ,00 0. .00
ATOM 1006 QE PHE 179 -9. ,829 3, .558 6. ,038 1. .00 0. ,00
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- 235 -
ATOM 1151 HA CYS 187 11, .641 -4, .433 2 .082 1, .00 0 .00
ATOM 1152 CB CYS 187 11. .838 -5, .585 3 .874 1, .00 0, .00
ATOM 1153 1HB CYS 187 12 .636 -6 .305 3 .754 1 .00 0 .00
ATOM 1154 2HB CYS 187 11 .093 -5 .994 4 .539 1 .00 0 .00
ATOM 1155 QB CYS 187 11 .865 -6 .150 4 .146 1 .00 0 .00
ATOM 1156 SG CYS 187 12, .540 -4 .107 4 .676 1 .00 0 .00
ATOM 1157 C CYS 187 11, .489 -6, .494 1 .591 1, .00 0 .00
ATOM 1158 O CYS 187 10 .720 -7 .449 1 .538 1. .00 0 .00
ATOM 1159 N PRO 188 12 .607 -6 .422 0 .846 1 .00 0 .00
ATOM 1160 CD PRO 188 13 .560 -5 .295 0 .844 1 .00 0 .00
ATOM 1161 CA PRO 188 13 .009 -7 .479 -0 .086 1 .00 0 .00
ATOM 1162 HA PRO 188 12 .244 -7 .657 -0 .830 1 .00 0 .00
ATOM 1163 CB PRO 188 14 .262 -6 .918 -0 .767 1 .00 0 .00
ATOM 1164 1HB PRO 188 13, .999 -6 .511 -1 .732 1, .00 0 .00
ATOM 1165 2HB PRO 188 14, .987 -7, .710 -0 .892 1, .00 0 .00
ATOM 1166 QB PRO 188 14, .493 -7, .111 -1 .312 1, .00 0 .00
ATOM 1167 CG PRO 188 14, .767 -5, .858 0 .151 1, .00 0, .00
ATOM 1168 1HG PRO 188 15, .266 -5, .086 -0 .418 1, .00 0, .00
ATOM 1169 2HG PRO 188 15, .445 -6, .291 0 .871 1, .00 0, .00
ATOM 1170 QG PRO 188 15 .356 -5 .689 0 .226 1, .00 0, .00
ATOM 1171 1HD PRO 188 13 .163 -4 .456 0 .290 1, .00 0 .00
ATOM 1172 2HD PRO 188 13, .809 -4, .997 1 .852 1, .00 0 .00
ATOM 1173 QD PRO 188 13, .486 -4, .727 1 .071 1, .00 0, .00
ATOM 1174 c PRO 188 13, .331 -8, .794 0 .619 1, .00 0, .00
ATOM 1175 0 PRO 188 14, .186 -8, .841 1 .512 1. .00 0. .00
ATOM 1176 N LEU 189 12, .642 -9, .845 0 .197 1. .00 0. .00
ATOM 1177 H LEU 189 11, .985 -9, .721 -0, .521 1. .00 0, .00
ATOM 1178 CA LEU 189 12. .828 -11. .177 0, .744 1. ,00 0. .00
ATOM 1179 HA LEU 189 13, .637 -11, .139 1 .457 1, .00 0, .00
ATOM 1180 CB LEU 189 11 .553 -11 .651 1 .445 1 .00 0 .00
ATOM 1181 1HB LEU 189 10 .806 -11 .842 0 .689 1, .00 0 .00
ATOM 1182 2HB LEU 189 11 .200 -10 .855 2 .083 1, .00 0 .00
ATOM 1183 QB LEU 189 11 .003 -11 .349 1 .386 1, .00 0 .00
ATOM 1184 CG LEU 189 11, .707 -12, .916 2 .291 1, .00 0, .00
ATOM 1185 HG LEU 189 12, .466 -13, .546 1 .846 1, .00 0, .00
ATOM 1186 QD1 LEU 189 12, .257 -12. .486 4 .035 1. .00 0, .00
ATOM 1187 QD2 LEU 189 10, .096 -13, .881 2 .328 1. .00 0, .00
ATOM 1188 CD1 LEU 189 12, .152 -12, .568 3, .702 1. .00 0, .00
ATOM 1189 1HD1 LEU 189 13, .156 -12, .173 3, .675 1. .00 0. .00
ATOM 1190 2HD1 LEU 189 12. .130 -13. .456 4, .315 1. .00 0. .00
ATOM 1191 3HD1 LEU 189 11, .484 -11. .828 4, .116 1. ,00 0. .00
ATOM 1192 CD2 LEU 189 10, .403 -13, .696 2, .321 1. .00 0, .00
ATOM 1193 1HD2 LEU 189 10, .512 -14. .552 2 .970 1. .00 0, .00
ATOM 1194 2HD2 LEU 189 10, .161 -14, .029 1, .323 1. .00 0. .00
ATOM 1195 3HD2 LEU 189 9. .613 -13. .061 2, .691 1. ,00 0. .00
ATOM 1196 QQD LEU 189 11, .176 -13. .183 3, .181 1. ,00 0. .00
ATOM 1197 C LEU 189 13. .195 -12. ,144 -0, .378 1. ,00 0. ,00
ATOM 1198 OT1 LEU 189 12, .830 -11. ,859 -1, .540 1. ,00 0. ,00
ATOM 1199 OT2 LEU 189 13. .843 -13. ,170 -0. .090 1. .00 0. ,00
TER
ENDMDL
MODEL 12
ATOM 1 N SER 124 12 .765 15 .644 3 .969 1 .00 0 .00
ATOM 2 CA SER 124 12 .645 14 .207 4 .338 1, .00 0 .00
ATOM 3 HA SER 124 13 .471 13 .662 3 .904 1, .00 0 .00
ATOM 4 CB SER 124 12 .707 14 .106 5 .862 1 .00 0 .00
ATOM 5 1HB SER 124 13 .379 13 .306 6 .142 1 .00 0 .00
ATOM 6 2HB SER 124 11 .718 13 .897 6 .249 1 .00 0 .00
ATOM 7 QB SER 124 12 .549 13 .602 6 .196 1, .00 0 .00
ATOM 8 OG SER 124 13 .177 15 .323 6 .425 1, .00 0 .00
ATOM 9 HG SER 124 13 .182 15 .252 7 .389 1, .00 0 .00
ATOM 10 C SER 124 11 .336 13 .638 3 .819 1, .00 0 .00
ATOM 11 O SER 124 10 .748 12 .735 4 .413 1. .00 0, .00
ATOM 12 1HT SER 124 12 .917 16, .214 4 .825 1. .00 0, .00
ATOM 13 2HT SER 124 11 .891 15 .970 3 .499 1, .00 0 .00
ATOM 14 3HT SER 124 13 .565 15 .786 3 .322 1, .00 0 .00
ATOM 15 N ASP 125 10 .889 14 .201 2 .714 1, .00 0, .00
ATOM 16 H ASP 125 11 .410 14 .929 2 .307 1. .00 0, .00
ATOM 17 CA ASP 125 9, .647 13 .820 2 .072 1. .00 0, .00
ATOM 18 HA ASP 125 8, .932 13, .567 2 .841 1. .00 0, .00
ATOM 19 CB ASP 125 9, .123 15, .015 1, .271 1. ,00 0. .00
ATOM 20 1HB ASP 125 8, .048 15, .061 1, .364 1. ,00 0. .00 o o o
3 l l l 3 ^ a n n n n n rt rt m m pQ pq p p p p p p p p p p p p α __ _ ft CP PP P PP CD CD p p p o o p p p p p σ ft f t PP PP CD CD cp au p p cj p a cp u CP ao cp cp cp u p a cj cp cj cp cp αcj cp αoiu cpfficpocp cpcpσupacpu u CP CP a u CP α σ u CP CP cp u cp cp cp α cj p a cp cj c 3 u α ri CM CO ri c ro ^ ui o r^ ∞ h o ri C c ^ in o r^ ω c o ri cN ro ^ in vo ^ ro n o ri N ro ^ in ω
00 CN W C CN rq i cN C ro r ro r ro ro o ro ro r ^ ^ ^ ^ ^ ^ ^ ^ 00 00 o o o o o o oo oo o o o o o o o o oo o o oo o o o o o oo oo o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o
237 -
ATOM 93 CGI VAL 129 13, .345 1, .839 -2, .199 1, .00 0, .00
ATOM 94 1HG1 VAL 129 12. .787 1, .293 -1, .451 1, .00 0, .00
ATOM 95 2HG1 VAL 129 14 .198 2 .315 -1 .735 1, .00 0 .00
ATOM 96 3HG1 VAL 129 13, .687 1 .158 -2 .964 1, .00 0 .00
ATOM 97 CG2 VAL 129 11, .524 2 .273 -3 .854 1, .00 0 .00
ATOM 98 1HG2 VAL 129 11, .774 2 .645 -4 .837 1, .00 0, .00
ATOM 99 2HG2 VAL 129 10, .501 2, .530 -3. .620 1, .00 0, .00
ATOM 100 3HG2 VAL 129 11 .641 1 .200 -3 .836 1 .00 0 .00
ATOM 101 QQG VAL 129 12 .431 1 .857 -3 .074 1 .00 0 .00
ATOM 102 C VAL 129 12 .618 4 .378 -0 .806 1, .00 0 .00
ATOM 103 O VAL 129 13 .412 5 .213 -1 .234 1, .00 0 .00
ATOM 104 N PRO 130 12, .544 4 .063 0 .503 1, .00 0 .00
ATOM 105 CD PRO 130 11 .610 3 .111 1 .099 1 .00 0 .00
ATOM 106 CA PRO 130 13 .391 4 .668 1 .525 1 .00 0 .00
ATOM 107 HA PRO 130 13 .577 5 .703 1 .315 1 .00 0 .00
ATOM 108 CB PRO 130 12, .539 4, .555 2, .805 1. .00 0, .00
ATOM 109 1HB PRO 130 12, .242 5, .545 3, .122 1. .00 0, .00
ATOM 110 2HB PRO 130 13 .124 4 .090 3 .584 1, .00 0 .00
ATOM 111 QB PRO 130 12 .683 4 .818 3 .353 1, .00 0 .00
ATOM 112 CG PRO 130 11 .341 3 .718 2 .449 1, .00 0 .00
ATOM 113 1HG PRO 130 10, .460 4 .345 2 .407 1, .00 0, .00
ATOM 114 2HG PRO 130 11, .207 2 .940 3 .186 1, .00 0, .00
ATOM 115 QG PRO 130 10 .834 3 .643 2 .797 1 .00 0 .00
ATOM 116 1HD PRO 130 10 .700 3 .052 0 .522 1, .00 0 .00
ATOM 117 2HD PRO 130 12 .063 2 .135 1 .201 1, .00 0 .00
ATOM 118 QD PRO 130 11 .382 2 .594 0 .862 1. .00 0, .00
ATOM 119 C PRO 130 14, .731 3 .955 1 .701 1, .00 0, .00
ATOM 120 O PRO 130 15 .704 4 .255 1 .015 1 .00 0 .00
ATOM 121 N ASP 131 14 .767 3 .033 2 .651 1 .00 0 .00
ATOM 122 H ASP 131 13 .958 2 .873 3 ,167 1, .00 0 .00
ATOM 123 CA ASP 131 15 .980 2 .280 2 .970 1, .00 0 .00
ATOM 124 HA ASP 131 16 .827 2 .936 2 .828 1, .00 0, .00
ATOM 125 CB ASP 131 15 .928 1 .849 4 .442 1 .00 0 .00
ATOM 126 1HB ASP 131 15, .205 1 .055 4 .551 1, .00 0, .00
ATOM 127 2HB ASP 131 15, .620 2, .691 5, .043 1. .00 0, .00
ATOM 128 QB ASP 131 15, .413 1, .873 4, .797 1. .00 0, .00
ATOM 129 CG ASP 131 17, .259 1, .358 4, .966 1. .00 0, .00
ATOM 130 OD1 ASP 131 17 .271 0 .698 6 .022 1, .00 0, .00
ATOM 131 OD2 ASP 131 18 .292 1 .607 4 .318 1, .00 0, .00
ATOM 132 C ASP 131 16, .150 1 .056 2 .063 1, .00 0, .00
ATOM 133 O ASP 131 16, .579 1 .172 0 .918 1. .00 0, .00
ATOM 134 N LYS+ 132 15, .817 -0 .123 2, .584 1. .00 0, .00
ATOM 135 H LYΞ+ 132 15 .488 -0 .160 3 .505 1, .00 0 .00
ATOM 136 CA LYS+ 132 15 .946 -1. .361 1 .816 1, .00 0, .00
ATOM 137 HA LYS+ 132 16 .509 -1 .136 0, .922 1. .00 0, .00
ATOM 138 CB LYS+ 132 16 .696 -2 .427 2 .625 1, .00 0, .00
ATOM 139 1HB LYS+ 132 17 .062 -3 .182 1 .943 1. .00 0, .00
ATOM 140 2HB LYS+ 132 16 .005 -2 .888 3 .315 1 .00 0 .00
ATOM 141 QB LYS+ 132 16 .534 -3 .035 2 .629 1, .00 0 .00
ATOM 142 CG LYS+ 132 17 .878 -1 .889 3 .421 1, .00 0 .00
ATOM 143 1HG LYS+ 132 17, .641 -0, .893 3, .770 1. .00 0. .00
ATOM' 144 2HG LYS+ 132 18, .744 -1, .849 2, .775 1. .00 0. .00
ATOM 145 QG LYS+ 132 18, .193 -1, .371 3. .273 1. .00 0. .00
ATOM 146 CD LYS+ 132 18, .197 -2, .774 4, .621 1. .00 0, .00
ATOM 147 1HD LYS+ 132 18, .880 -3, .553 4, .311 1, .00 0, .00
ATOM 148 2HD LYS+ 132 17, .280 -3, .221 4, .979 1. .00 0, .00
ATOM 149 QD LYS+ 132 18, .080 -3, .387 4. .645 1. .00 0. .00
ATOM 150 CE LYS+ 132 18. .833 -1, .982 5. .759 1. ,00 0. .00
ATOM 151 IHE LYS+ 132 19 .596 -2 .590 6, .222 1, .00 0, .00
ATOM 152 2HE LYS+ 132 18, .068 -1 .750 6, .488 1, .00 0, .00
ATOM 153 QE LYS+ 132 18, .832 -2 .170 6, .355 1. .00 0, .00
ATOM 154 NZ LYS+ 132 19, .445 -0, .709 5. .285 1. .00 0, .00
ATOM 155 1HZ LYS+ 132 20, .344 -0, .534 5. .770 1. ,00 0. .00
ATOM 156 2HZ LYS+ 132 18, .795 0, .095 5, .483 1. ,00 0. .00
ATOM 157 3HZ LYS+ 132 19 .612 -0 .745 4, .261 1, .00 0, .00
ATOM 158 QZ LYS+ 132 19, .584 -0 .394 5, .172 1, .00 0, .00
ATOM 159 C LYS+ 132 14, .580 -1, .901 1, .413 1. .00 0. .00
ATOM 160 O LYΞ+ 132 14, .478 -2, .890 0. .690 1. .00 0, .00
ATOM 161 N CYS 133 13. ,530 -1. .254 1. ,888 1. 00 0. ,00
ATOM 162 H CYS 133 13. .668 -0, .474 2. .460 1. ,00 0. .00
ATOM 163 CA CYS 133 12. .175 -1. .680 1. .573 1. ,00 0. ,00
ATOM 164 HA CYS 133 12. .206 -2. .729 1. .323 1. ,00 0. ,00 - 238 -
ATOM 165 CB CYS 133 11.255 -1.476 2 .777 1 .00 0.00
ATOM 166 1HB CYS 133 10.258 -1.259 2 .420 1 .00 0.00
ATOM 167 2HB CYS 133 11.610 -0.635 3 .348 1 .00 0.00
ATOM 168 QB CYS 133 10.934 -0.947 2 .884 1 .00 0.00
ATOM 169 SG CYS 133 11.136 -2.900 3 .911 1 .00 0.00
ATOM 170 C CYS 133 11.648 -0.900 0 .377 1 .00 0.00
ATOM 171 O CYS 133 12.052 0.234 0 .143 1 .00 0.00
ATOM 172 N LYS+ 134 10.737 -1.504 -0 .368 1 .00 0.00
ATOM 173 H LYS+ 134 10.436 -2.405 -0 .122 1 .00 0.00
ATOM 174 CA LYS+ 134 10.153 -0.858 -1 .532 1 .00 0.00
ATOM 175 HA LYS+ 134 10.849 -0.108 -1 .878 1 .00 0.00
ATOM 176 CB LYS+ 134 9.904 -1.872 -2 .653 1 .00 0.00
ATOM 177 1HB LYS+ 134 9.051 -2.480 -2 .387 1 .00 0.00
ATOM 178 2HB LYS+ 134 10.772 -2.507 -2 .749 1 .00 0.00
ATOM 179 QB LYS+ 134 9.912 -2.493 -2 .568 1 .00 0.00
ATOM 180 CG LYS+ 134 9.629 -1.227 -4 .004 1 .00 0.00
ATOM 181 1HG LYS+ 134 10.443 -0.556 -4 .242 1 .00 0.00
ATOM 182 2HG LYS+ 134 8.707 -0.671 -3 .943 1 .00 0.00
ATOM 183 QG LYS+ 134 9.575 -0.613 -4 .092 1 .00 0.00
ATOM 184 CD LYS+ 134 9.506 -2.266 -5 .111 1 .00 0.00
ATOM 185 1HD LYS+ 134 9.374 -3.241 -4 .662 1 .00 0.00
ATOM 186 2HD LYS+ 134 10.413 -2.261 -5 .698 1 .00 0.00
ATOM 187 QD LYS+ 134 9.894 -2.751 -5 .180 1 .00 0.00
ATOM 188 CE LYS+ 134 8.324 -1.980 -6 .030 1 .00 0.00
ATOM 189 IHE LYS+ 134 7.558 -2.722 -5 .850 1 .00 0.00
ATOM 190 2HE LYS+ 134 8.657 -2.053 -7 .056 1 .00 0.00
ATOM 191 QE LYS+ 134 8.108 -2.387 -6 .453 1 .00 0.00
ATOM 192 NZ LYS+ 134 7.747 -0.622 -5 .804 1 .00 0.00
ATOM 193 1HZ LYS+ 134 8.501 0.055 -5 .575 1, .00 0.00
ATOM 194 2HZ LYS+ 134 7.067 -0.649 -5 .015 1 .00 0.00
ATOM 195 3HZ LYS+ 134 7.250 -0.297 -6 .659 1 .00 0.00
ATOM 196 QZ LYS+ 134 7.606 -0.297 -5 .749 1 .00 0.00
ATOM 197 C LYS+ 134 8.854 -0.184 -1 .146 1 .00 0.00
ATOM 198 O LYS+ 134 7.909 -0.844 -0 .729 1, .00 0.00
ATOM 199 N PHE 135 8.817 1.126 -1, .278 1, .00 0.00
ATOM 200 H PHE 135 9.608 1.597 -1 .613 1 .00 0.00
ATOM 201 CA PHE 135 7.633 1.889 -0 .929 1 .00 0.00
ATOM 202 HA PHE 135 7.084 1.337 -0, .180 1, .00 0.00
ATOM 203 CB PHE 135 8.045 3.245 -0. .355 1. .00 0.00
ATOM 204 1HB PHE 135 8.246 3.920 -1, .175 1, .00 0.00
ATOM 205 2HB PHE 135 8.948 3.120 0, .222 1. .00 0.00
ATOM 206 QB PHE 135 8.597 3.520 -0, .476 1, .00 0.00
ATOM 207 QD PHE 135 6.915 3.979 0, .640 1. .00 0.00
ATOM 208 QE PHE 135 5.278 5.080 2, .107 1, .00 0.00
ATOM 209 QR PHE 135 5.768 4.750 1, .667 1. .00 0.00
ATOM 210 CG PHE 135 7.027 3.903 0, .538 1, .00 0.00
ATOM 211 CD1 PHE 135 7.268 5.170 1. ,045 1. ,00 0.00
ATOM 212 1HD PHE 135 8.189 5.677 0. ,790 1. ,00 0.00
ATOM 213 CE1 PHE 135 6.350 5.791 1. .868 1. ,00 0.00
ATOM 214 IHE PHE 135 6.553 6.779 2. .256 1. ,00 0.00
ATOM 215 CZ PHE 135 5.175 5.148 2. .196 1. ,00 0.00
ATOM 216 HZ PHE 135 4.454 5.631 2. .842 1. .00 0.00
ATOM 217 CE2 PHE 135 4.922 3.887 1. ,699 1. ,00 0.00
ATOM 218 2HE PHE 135 4.002 3.381 1. .957 1. ,00 0.00
ATOM 219 CD2 PHE 135 5.843 3.269 0, .875 1. ,00 0.00
ATOM 220 2HD PHE 135 5.641 2.281 0. ,490 1. 00 0.00
ATOM 221 C PHE 135 6.752 2.087 -2. ,150 1. 00 0.00
ATOM 222 O PHE 135 7.200 2.589 -3. 180 1. 00 0.00
ATOM 223 N LEU 136 5.503 1.692 -2. 022 1. 00 0.00
ATOM 224 H LEU 136 5.212 1.301 -1. ,168 1. 00 0.00
ATOM 225 CA LEU 136 4.536 1.830 -3. ,090 1. 00 0.00
ATOM 226 HA LEU 136 5.036 2.268 -3. ,942 1. 00 0.00
ATOM 227 CB LEU 136 3.957 0.470 -3. ,481 1. 00 0.00
ATOM 228 1HB LEU 136 3.112 0.638 -4. 134 1. 00 0.00
ATOM 229 2HB LEU 136 3.602 -0.019 -2. 584 1. 00 0.00
ATOM 230 QB LEU 136 3.357 0.310 -3. 359 1. 00 0.00
ATOM 231 CG LEU 136 4.933 -0.469 -4. 193 1. 00 0.00
ATOM 232 HG LEU 136 5.686 0.121 -4. 692 1. 00 0.00
ATOM 233 QD1 LEU 136 5.792 -1.591 -2. 953 1. 00 0.00
ATOM 234 QD2 LEU 136 4.034 -1.492 -5. 488 1. 00 0.00
ATOM 235 GDI LEU 136 5.629 -1.376 -3. 192 1. 00 0.00
ATOM 236 1HD1 LEU 136 6.517 -0.888 -2. 818 1. 00 0.00
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244 -
ATOM 597 1HZ LYS+ 155 2.013 -11 .475 1 .066 1 .00 0 .00
ATOM 598 2HZ LYS+ 155 0.322 -11 .362 0 .940 1 .00 0 .00
ATOM 599 3HS LYS+ 155 1.038 -12 .822 1 .407 1 .00 0 .00
ATOM 600 QS LYS+ 155 1.124 -11 .886 1 .138 1 .00 0 .00
ATOM 601 C LYS+ 155 0.749 -8 .342 -0 .856 1 .00 0 .00
ATOM 602 O LYS+ 155 1.826 -8 .860 -1 .110 1 .00 0 .00
ATOM 603 N GLU 156 -0.363 -8 .600 -1 .536 1 .00 0 .00
ATOM 604 H GLU 156 -1.203 -8 .150 -1 .275 1 .00 0 .00
ATOM 605 CA GLU 156 -0.383 -9 .528 -2 .658 1 .00 0 .00
ATOM 606 HA GLU 156 -0.079 -10 .496 -2 .293 1 .00 0 .00
ATOM 607 CB GLU 156 -1.790 -9 .640 -3 .247 1 .00 0 .00
ATOM 608 1HB GLU 156 -1.716 -10 .007 -4 .260 1 .00 0 .00
ATOM 609 2HB GLU 156 -2.244 -8 .659 -3 .263 1 .00 0 .00
ATOM 610 QB GLU 156 -1.980 -9 .333 -3 .761 1 .00 0 .00
ATOM 611 CG GLU 156 -2.706 -10 .571 -2 .470 1 .00 0 .00
ATOM 612 1HG GLU 156 -2.541 -10 .422 -1 .414 1 .00 0 .00
ATOM 613 2HG GLU 156 -2.469 -11 .591 -2 .731 1 .00 0 .00
ATOM 614 QG GLU 156 -2.505 -11 .006 -2 .072 1 .00 0 .00
ATOM 615 CD GLU 156 -4.170 -10 .323 -2 .769 1 .00 0 .00
ATOM 616 OE1 GLU 156 -4.505 -9 .204 -3 .209 1 .00 0 .00
ATOM 617 OE2 GLU 156 -4.981 -11 .244 -2 .559 1 .00 0 .00
ATOM 618 C GLU 156 0.594 -9 .085 -3 .737 1 .00 0 .00
ATOM 619 O GLU 156 1.431 -9 .866 -4 .162 1 .00 0 .00
ATOM 620 N THR 157 0.488 -7 .828 -4 .161 1 .00 0 .00
ATOM 621 H THR 157 -0.205 -7 .250 -3 .771 1 .00 0 .00
ATOM 622 CA THR 157 1.376 -7 .282 -5 .191 1 .00 0 .00
ATOM 623 HA THR 157 1.171 -7 .809 -6 .112 1, .00 0 .00
ATOM 624 CB THR 157 1.091 -5 .790 -5 .400 1 .00 0 .00
ATOM 625 HB THR 157 1.407 -5 .247 -4 .520 1 .00 0 .00
ATOM 626 QG2 THR 157 1.983 -5 .058 -6 .877 1 .00 0 .00
ATOM 627 OG1 THR 157 •0.295 -5, .560 -5 .592 1, .00 0 .00
ATOM 628 1HG THR 157 -0.787 -5, .849 -4, .810 1, .00 0 .00
ATOM 629 CG2 THR 157 1.812 -5 .198 -6 .593 1, .00 0 .00
ATOM 630 1HG2 THR 157 2.194 -4 .222 -6 .336 1, .00 0 .00
ATOM 631 2HG2 THR 157 1.124 -5, .109 -7 .421 1, .00 0 .00
ATOM 632 3HG2 THR 157 2.632 -5, .844 -6 .875 1, .00 0 .00
ATOM 633 C THR 157 2.853 -7. .491 -4 .829 1, .00 0, .00
ATOM 634 O THR 157 3.674 -7 .818 -5 .685 1, .00 0 .00
ATOM 635 N CYS 158 3.192 -7, .297 -3, .561 1. .00 0, .00
ATOM 636 H CYS 158 2.503 -7, .028 -2, .911 1. .00 0, .00
ATOM 637 CA CYS 158 4.571 -7. .468 -3. .117 1. .00 0, .00
ATOM 638 HA CYS 158 5.213 -7. .072 -3, ,888 1. .00 0, .00
ATOM 639 CB CYS 158 4.802 -6, .674 -1 .832 1. .00 0, .00
ATOM 640 1HB CYS 158 5.673 -7, .055 -1 .330 1. .00 0, .00
ATOM 641 2HB CYS 158 3.944 -6. .792 -1, .189 1. ,00 0, .00
ATOM 642 QB CYS 158 4.809 -6. ,923 -1. .259 1. 00 0. .00
ATOM 643 SG CYS 158 5.044 -4. ,882 -2. ,115 1. 00 0. .00
ATOM 644 C CYS 158 4.918 -8. .950 -2, .920 1. ,00 0, .00
ATOM 645 O CYS 158 5.955 -9. ,414 -3. .392 1. ,00 0. .00
ATOM 646 N SER 159 4.052 -9. ,685 -2. .225 1. ,00 0. .00
ATOM 647 H SER 159 3.245 -9. ,258 -1. .868 1. 00 0. .00
ATOM 648 CA SER 159 4.269 -11. .110 -1. .967 1. 00 0. .00
ATOM 649 HA SER 159 5.245 -11. .211 -1. .516 1. ,00 0, .00
ATOM 650 CB SER 159 3.225 -11. 644 -0. .991 1. 00 0. ,00
ATOM 651 1HB SER 159 3.290 -12. 722 -0. .956 1. 00 0. ,00
ATOM 652 2HB SER 159 2.240 -11. 352 -1. ,329 1. 00 0. ,00
ATOM 653 QB SER 159 2.765 -12. 037 -1. ,142 1. 00 0. 00
ATOM 654 OG SER 159 3.435 -11. 126 0. ,317 1. 00 0. 00
ATOM 655 HG SER 159 4.366 -10. .883 0. .413 1. 00 0. ,00
ATOM 656 C SER 159 4.249 -11. ,947 -3. ,249 1. 00 0. ,00
ATOM 657 O SER 159 4.865 -13. 008 -3. ,295 1. 00 0. 00
ATOM 658 N GLU 160 3.552 -11. 471 -4. 285 1. 00 0. 00
ATOM 659 H GLU 160 3.078 -10. 615 -4. 196 1. 00 0. 00
ATOM 660 CA GLU 160 3.492 -12. 188 -5. 560 1. 00 0. 00
ATOM 661 HA GLU 160 3.178 -13. 203 -5. 364 1. 00 0. 00
ATOM 662 CB GLU 160 2.499 -11. 518 -6. 517 1. 00 0. 00
ATOM 663 1HB GLU 160 3.022 -10. 774 -7. 100 1. 00 0. 00
ATOM 664 2HB GLU 160 1.730 -11. 030 -5. 937 1. 00 0. 00
ATOM 665 QB GLU 160 2.376 -10. 902 -6. 518 1. 00 0. 00
ATOM 666 CG GLU 160 1.825 -12. 485 -7. 480 1. 00 0. 00
ATOM 667 1HG GLU 160 1.134 -13. 103 -6. 926 1. 00 0. 00
ATOM 668 2HG GLU 160 2.581 -13. 108 -7. 933 1. 00 0. 00 o
o
H U cu o o o o o oooooooooooooo oooooooooo oooooooooooooooooooooooooo o o o o o o o o o o o o o o o o o oooooooooooooo oooooooooo oooooooooooooooooooooooooo o o o o o o o o o o o o ooooooooooooooσooooooooooooooooooooooooooooooooooooooooooooooooooooooooo o o o o o o o o o o o o o o o o o o o o o o rt rt rt rt rt rt riririririririri riririririririririri riririririririririririririririririri ri ri ri rt rt rt ri vD Vo oo n vD ri VD ^ o oo '^ t^ o D ts '^ in in is ^ i ro o ro c '* o Λ o o o H π N l ltl H π ιη ^ ^ H cD π ω ^D fo ffi cΛ m « ω ιo ιl o [Λ N lι0 ^ ^o ^• ^ ^ ts o o ∞ ro ^ o co m cn oo ^t- σ\ ιs ιn co c4 in ri ro ro ro cn co cN ri is ^ D ^ H ^ l H H W ^ ^ ι^ O « [η [I\ ^ M H ^ N [n CΛ H H ω VO ^ M ^ > ^ ^ O O ^ lI. C3
^ tn o o ri o^ ra ri cN ri in in Es ri in in in o ro ro ri CN -^ is ri Ch o ch o ro ts Ln ω o ω ^ ^ cN O ri co c fs o in ri in vo oo vo in vo ^ co ^ in ri ^ o c O Vo c O ri o ^ ts cN O is oD Ch n vo vo in i o ts o in vD VD ts Do ts oo rs vo co r^ ts r^ αj ts β Ln vo in in i ^ ^ in cη ^ ^ i i cn ^ ts ri ^ co rs ri in ^ ^ oo ri c in in co - CN Vo oo ro o ra ro t cN in ro ri ts c^ ri i ro ts t c^ t ri lS ri tS ' OJ O O OJ VD ts ri -^' VO '^ O o ts cn cn o c c c D M cn in r^ ri ro ri ro ts c ri o vo o o c in is t in ro ts ^ c cn cn o c^ ri oo ιn ri in vo vo cn vo vD σ\ VD ro ro o cN co if] ri is o cN C ri ri Ln vo in ri o ri ro o oq is H is ^ i ^ i ri co ∞ ^ ∞ ^ cn vD VD m c vo o ri is i o vo ri m in c Ch '^ ^ cN '^ ro ri o cN CN ro ri o ri ri cn ch cn ch cn cn o cn co co ^ σ. [a co co o^ cD co ri N O o ri CN ri ri ri o n cn o ω c rs vo o ts o ts D Vo ^ c cn co co co ch Ch o cTi h cn o oo rs CM ri ri ri ri ri ri ri ri ri ri l I I I 1 I ri l I rt rt rt rt rt I I oo in ro ri
U. U] W H co o i o rt rt rt o h o ts u] i co vo vo t ts vo ts cσ c oo
O O O O O O ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri ri C C CN CN CN CN CN CN CN C CN W ro ro m
VtrO VrtD VrtD VrtO VrtO VrtD VrtD VrtD VrtD VrtO VrtO VrtO VrtO VrtD VrtD VrtO VrtD VrtD VrtO VrtO VrtD VrtO VrtD VrtO VrtO VrtD VrtO VrtO VrtO VrtO VrtD VrtO VrtD VrtO Vrt^rtrtrtrtrtrtrtrtrtrtrtrt
+ + + + + + + + + + + + + + + + + + + + + + + + + + + O Λ Ol-l Dl-5 D^ Oia ωl ra>H ωl ω>H ω[ ωl ωl ωl ω- col ω>H ra- c>ΛH oH ω>H ral ωl ωl ωl ωH ω^ ml ωl n- ra- c>nH >ΛH P|ijJ cHij H lϊl [a H K W u o u p u u i-i i-i iJ J Λ Λ i^ J iJ a i-P Λ i-i Λ ia Λ J i^ i^ Λ Λ J ia Λ i- i-P i-i ra ra ω n ω Λ ω o n H H ft ft pp pp cP O CD CD ts p p p α ea ia ca iH tsi N N N -i rt rt PP rt rt CP PP CD P O CD CD P P rt rt ffl P P P U n o σu o pu pa cp v CP u cP cp piu pp cp σϋ pP ffi piϋ K CP Pia cP cP cP diu p a cp u CP u B B OO B U O cpu a u cp αp cp u cp cp cp u p a CP u Ku cP Cp σα g rt cn o ri oι co ^ -n vo r-- ω cn o ri cM co ^ ιn vD r- ro m o ri c^ co ^ ιn vo t-- ro cn o ri oι co ^ ιo vo t- ∞ cn o ri a ^ ^ ^ ^ ^ ^ ^ ro cD α] !D αl α] σ] [. [D σ] Ol σl σl ln fll ϋl Ol {Il [ll Ol o o o o o o o o o o ri H H ri ri H H ri H H π ^ι π M π cι ^^ c] ^^ n M m t«l [«l f,l f,l n M [,l '*
00 ω o vo o vo vo vo vo ω o lD ι- vo ιo vσ ^o o vo vo o ι. vo vo ω vo vo ^- ιo ι- o ^o ^ ^ ^ ^ t ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
C\ 00 00
2222222222222222222222222222222222 o r Pi πP πP rP-i nO iP-i πP πP nO nO nO n n n i 2 22S22222222222222222222222SS222222SS2222222222S222 O P P rO nP rPi rPi rPi rOi nO nP nP nP nP nP rOi nO n n nonorpi nP P O O P O O O O O O P P P P P O P P O O P O O O P P P O P P P P P P O O O P o ft ft ft fC fi ft ft ft ft ft ft ft ft fe ft! ffet! ffet! feft! feft! feft! ffet! fefi! fefi! feft! fefti ffei! feft! feft! feti! fert! fert! fert! fert! K rtrtrtErtH PrtPrtrtP ErtHrtEH ErtH ErtHrtBrEtHrtH rtrtrtrtrtrtrtrt ft rt ft ft ft ft fi fi ft ft ft
- 246
ATOM 741 2HD2 ASN 164 10 .439 -8 .128 3 .333 1 .00 0 .00
ATOM 742 QD2 ASN 164 9 .651 -7 .807 3 .204 1 .00 0 .00
ATOM 743 C ASN 164 6 .535 -7 .318 2, .644 1. .00 0 .00
ATOM 744 O ASN 164 7 .399 -6 .484 2. .906 1, .00 0 .00
ATOM 745 N LEU 165 5 .238 -7 .088 2, .810 1, .00 0 .00
ATOM 746 H LEU 165 4 .598 -7 .792 2, .584 1, .00 0 .00
ATOM 747 CA LEU 165 4 .740 -5 .810 3. .322 1, .00 0 .00
ATOM 748 HA LEU 165 5 .243 -5 .013 2, .794 1, .00 0 .00
ATOM 749 CB LEU 165 3, .234 -5 .693 3. .081 1, .00 0, .00
ATOM 750 1HB LEU 165 2 .746 -5 .532 4, .030 1, .00 0 .00
ATOM 751 2HB LEU 165 2, .881 -6 .626 2. .665 1, .00 0, .00
ATOM 752 QB LEU 165 2, .814 -6 .079 3, .348 1, .00 0, .00
ATOM 753 CG LEU 165 2 .815 -4 .570 2 .151 1 .00 0 .00
ATOM 754 HG LEU 165 3 .369 -3 .676 2 .397 1 .00 0 .00
ATOM 755 QD1 LEU 165 3 .199 -5 .028 0 .378 1 .00 0 .00
ATOM 756 QD2 LEU 165 0 .984 -4 .205 2 .366 1 .00 0 .00
ATOM 757 CD1 LEU 165 3 .126 -4 .941 0 .719 1 .00 0 .00
ATOM 758 1HD1 LEU 165 3 .873 -4 .268 0 .326 1 .00 0 .00
ATOM 759 2HD1 LEU 165 2 .225 -4 .865 0 .125 1 .00 0 .00
ATOM 760 3HD1 LEU 165 3 .498 -5 .953 0 .681 1 .00 0 .00
ATOM 761 CD2 LEU 165 1 .335 -4 .275 2 .325 1 .00 0 .00
ATOM 762 1HD2 LEU 165 0 .756 -5 .116 1 .972 1 .00 0 .00
ATOM 763 2HD2 LEU 165 1 .075 -3 .395 1 .755 1, .00 0 .00
ATOM 764 3HD2 LEU 165 1 .121 -4 .104 3 .370 1, .00 0 .00
ATOM 765 QQD LEU 165 2 .091 -4 .617 1, .372 1, .00 0 .00
ATOM 766 C LEU 165 5 .020 -5 .651 4 .805 1, .00 0 .00
ATOM 767 O LEU 165 4 .648 -6 .501 5 .612 1, .00 0, .00
ATOM 768 N HIS+ 166 5 .664 -4 .549 5, .148 1, .00 0, .00
ATOM 769 H HIS+ 166 5 .925 -3 .910 4, .451 1, .00 0, .00
ATOM 770 CA HIS+ 166 5 .991 -4, .249 6, .529 1, .00 0, .00
ATOM 771 HA HIS+ 166 5, .677 -5 .086 7, .136 1, .00 0, .00
ATOM 772 CB HIS+ 166 7, .506 -4, .061 6, .674 1, .00 0, .00
ATOM 773 1HB HIS+ 166 7, .824 -3, .272 6, .006 1, .00 0, .00
ATOM 774 2HB HIS+ 166 8, .003 -4, .977 6, .399 1, .00 0, .00
ATOM 775 QB HIS+ 166 7, .914 -4, .124 6, .203 1, .00 0, .00
ATOM 776 CG HIS+ 166 7, .951 -3, .695 8, .055 1. .00 0, .00
ATOM 777 ND1 HIS+ 166 7, .865 -4, .548 9. .133 1, .00 0, .00
ATOM 778 CD2 HIS+ 166 8, .479 -2, .547 8, .526 1, .00 0, .00
ATOM 779 1HD HIS+ 166 7, .516 -5, .464 9, .113 1. .00 0, .00
ATOM 780 CE1 HIS+ 166 8, .323 -3, .934 10, .211 1. .00 0, .00
ATOM 781 NE2 HIS+ 166 8, .703 -2, .713 9, .868 1. .00 0, .00
ATOM 782 2HD HIS+ 166 8, .669 -1, .646 7, .950 1. .00 0. .00
ATOM 783 IHE HIS+ 166 8. .376 -4. .356 11, .204 1. .00 0. .00
ATOM 784 2HE HIS+ 166 8 .864 -1 .980 10 .499 1, .00 0, .00
ATOM 785 C HIS+ 166 5, .237 -2 .997 6 .986 1, .00 0, .00
ATOM 786 O HIS+ 166 4 .595 -3 .001 8 .037 1, .00 0, .00
ATOM 787 N ASP 167 5 .313 -1 .931 6 .188 1, .00 0, .00
ATOM 788 H ASP 167 5, .838 -1 .990 5 .359 1, .00 0, .00
ATOM 789 CA ASP 167 4, .637 -0, .674 6, .525 1, .00 0, .00
ATOM 790 HA ASP 167 4, .134 -0, .818 7 .470 1. .00 0, .00
ATOM 791 CB ASP 167 5, .639 0, .483 6 .672 1, .00 0, .00
ATOM 792 1HB ASP 167 5, .260 1, .181 7, .405 1, .00 0, .00
ATOM 793 2HB ASP 167 5, .729 0, .988 5, .722 1, .00 0, .00
ATOM 794 QB ASP 167 5, .495 1, .085 6, .564 1. .00 0, .00
ATOM 795 CG ASP 167 7, .022 0, .044 7, .104 1. .00 0, .00
ATOM 796 OD1 ASP 167 7. .778 -0. .478 6. .253 1. ,00 0. ,00
ATOM 797 OD2 ASP 167 7. ,356 0. .226 8. .293 1. ,00 0. ,00
ATOM 798 C ASP 167 3. ,598 -0. ,293 5. .473 1. ,00 0. ,00
ATOM 799 O ASP 167 3, .907 0, .379 4, .492 1. .00 0. ,00
ATOM 800 N TYR 168 2, .366 -0, .720 5. .686 1. ,00 0. .00
ATOM 801 H TYR 168 2, .181 -1, .245 6, .491 1. ,00 0. ,00
ATOM 802 CA TYR 168 1, .264 -0, .415 4, .772 1. ,00 0. ,00
ATOM 803 HA TYR 168 1. .676 -0, .237 3. .781 1. .00 0. .00
ATOM 804 CB TYR 168 0. .292 -1, .595 4. .714 1. ,00 0. .00
ATOM 805 1HB TYR 168 0. .678 -2. .338 4. .036 1. ,00 0. ,00
ATOM 806 2HB TYR 168 -0. .664 -1, .246 4. .352 1. ,00 0. ,00
ATOM 807 QB TYR 168 0. .007 -1. .792 4. .194 1. ,00 0. ,00
ATOM 808 QD TYR 168 0. .048 -2. .324 6. .219 1. ,00 0. ,00
ATOM 809 QE TYR 168 -0. .299 -3. ,360 8. .421 1. .00 0. ,00
ATOM 810 QR TYR 168 -0. ,126 -2. ,842 7. .320 1. .00 0. 00
ATOM 811 CG TYR 168 0. ,070 -2. ,250 6. ,062 1. 00 0. 00
ATOM 812 CD1 TYR 168 0. .910 -3. ,261 6. ,516 1. 00 0. 00 ooooooooooooo o o o o o o o ooooooooooooooooooooooo ooooooooooooo o o o o o o o ooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooo o o o ooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooo o o o ooooooooooooooooooooooooooooooooo ririririririririririri riririririririririri rt rt rt rt rt rt riririririririririri ri rt rt rt rt rt rt riririririririririririri co co co co ι/} co co ι o ιn t-- m
ri in σi cM o ri CM co oi Ln in σi vo cn oi ri io co cn ri vo co σi co tri o co co io o co c^ co oi cO Lfi cM ^. 'Φ in co r"- in CO CO CO Ln cO O r~ VO ri cO C CO VO - < CO CO rH ^ Cn ] CO CO O- CO CM
Ol 'Ψ Ol d M A P in O CO CO H l/l l- l/l rl ^ i n O O LO ri 'H lCl cn in θ -ϊ. CM CO ri CM Oi r^ cn in in m co cM cn cM Vo - cn vD ri o co m cn cn ri in vo in 'φ ri in vD cn co vo r- Ln C0 V0 - .φ O C0 O O VD C0 ri Ln CM 0- VD V0 ri Cn LCl tCl C0 •ς. co co vo σv '^ vo αo oi Lri cn c^ Ln co o vo co ro m o o m in vo σi co o ^ σi co vo ro ri o co 'c. ^. vD co o ri r. co cn ri cn cη cO ^ CO C CM ri ri -^ CO O ri ri ri CM CO CM CO CM Ol CO CO CO CO Ol cO CM C ri ri O ri O O O ri O ri in iO in in C^ I^ ra σ^ OO ∞ t^ VO VD CO r^ t^ in t^ cO O^
CN m cn co ri r^ o cn o vD co ω cn ω ri ri t-- VD ri m cn co ι^ cM θi VD t~ ω cM VD co o vo cn vD m ^ vo t~ CM o ri CM cn ^ o oι vo vo ∞ [^ cM co cM cn cn c Vo * ^. c c c r^ o ri i t^ ri oi c ri ∞ CM VD ∞ vo co ri ιn ri CM m ι cn c ∞ vo oι o oι vo t~ t~ * VD ri t~ π ^ π n ω n ^ cM o oι o ^ r ω c ω o vD ω m [^ m co ω ^ co c r- vo ro co cM vo cM tn oi ^ Ln o o c^ ^ c ri cn c vD ln ri l ^ o o r^ ri ri vo cn D O o ri co c cM Ol t^ ^ c^ ri σ ∞ ri o vD vo ri vo o^ VD c n ri ∞ cn o o * ^ t^ co ω ^ cn co ιn co VD ui N o m o] Mo i * Mi] ri ri O ri O ri ri O ri O O O O O O O O ri O ri ri CO CO ^ C tn VO i in in i VO i cO ^ -Ψ ^ ^ CO ^ ^ ^ ^ ^ i c C ^ ^ CM Ol ri ri ri Ol ri O ri ri O l ri VD I^ VD in ^ t^ t^ CD VD t^ r^
co co co co co co co co co co co co cn cn cn cn cn cn oi oi O O O O O O O O OO OO O O OO O O O O !-! i i ri iO VriO VriO VriO V rrtrtrtrt ri r ri r iO ViO VriO t rrtrtt ri CM Ol Ol Ol Ol OJ CM Ol OI
V r VriO ViV iDriVDriVD VriD VriO V rt r tr rr rDriD VriD VriD VirD Vr riD VriD > r» r- r» o- r- o- t- r~ o- r- r- r- o- o- c- r- o- o- o- o- o- r trttrrt t rt ri ri ri rt rt rt rt rt rt- r t ririririririririririririri t ri- tri- rri- rri- rri- rri-
rri- rri- rri- rri-rir- rri- rri- tri'- .ri- ri ri r
C-; i-; Di OJ rt « C-; cιJ rt Cιi « « l>ι H H H ^ H < >H EH EH EH EH EH EH EH EH EH EH ri EH EH ri H EH EH H EH EH D O D & & t3 & CD C3 C^ -H -H -H -H -H H -H -H -H EH -H EH P P U 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ιJ J J J ι-P ι-P ι-P ι-P ι-P ι-P ι-P Λ J Λ Λ ι4 J J ri C ri ri ri ri CM CM CM CM P
Q W M N H H P P CP CP ft ft rt rt P PP P ts o p ia iϊi c-i c-i P rt rt m pp pp pp p o p p p p o o p p p p σ tt α θ σ Ω Q t ro ω α ϋ oσαDoσσσσαDΩ
H H H H ri ri ri H ri H H H H H ri ri ri ri ri H H ri Ω Ω Ω Q Ω Ω O O Ω n o n n tr1 tr1 tr, t tr< lr i→ l→ tr tr, T, ^ t1 t1 tr1 tr, tr, t, t→ r^ μ μ μ μ μ ri ri ri μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ ri μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ ri μ μ μ μ μ
-0 --4 -4 -o ι -o -o -J cn cn cn n cn ch ch ch cn cn cn o ιo W [D iji W [Λ ϋi cD M s] m H co [ri co o ω ^ H H o W [θ H W ιfe [J» w ιo ^ ι> ro 0 to t uι t ω μ o μ n μ σ\ uι μ j ^ vo ω ω c ^ ^ ri o ω ^ M co vo ^ to uι αϊ to i uι ω ω vo i ιtH- Λ Ui ^
0 ' c μ
to cn μ μ μ μ μ μ μ μ μ μ ri μ μ μ μ μ μ μ ri μ μ μ μ μ μ μ μ μ μ μ ri ri μ μ μ μ μ μ μ μ μ μ μ μ ri μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o > o o O O O O OO O O O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O O O O OO O O O o o o o o o o ooooooooooooooooooooooooooooooooooooooooσooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooσoooooooooooo
249
ATOM 957 N ASP 177 -14 .937 3 .345 6 .428 1 .00 0 .00
ATOM 958 H ASP 177 -15 .617 3 .278 5 .728 1 .00 0 .00
ATOM 959 CA ASP 177 -13 .927 2 .297 6 .530 1 .00 0 .00
ATOM 960 HA ASP 177 -13 .210 2 .584 7 .283 1 .00 0 .00
ATOM 961 CB ASP 177 -14 .596 0 .980 6 .941 1 .00 0 .00
ATOM 962 1HB ASP 177 -15 .277 1 .168 7 .758 1 .00 0 .00
ATOM 963 2HB ASP 177 -13 .837 0 .283 7 .263 1 .00 0 .00
ATOM 964 QB ASP 177 -14 .557 0 .726 7 .511 1 .00 0 .00
ATOM 965 CG ASP 177 -15 .374 0 .350 5 .799 1 .00 0 .00
ATOM 966 OD1 ASP 177 -15 .058 -0 .796 5 .420 1 .00 0 .00
ATOM 967 OD2 ASP 177 -16 .291 1 .007 5 .262 1 .00 0 .00
ATOM 968 C ASP 177 -13 .211 2 .082 5 .197 1 .00 0 .00
ATOM 969 O ASP 177 -12 .250 1 .312 5 .111 1, .00 0 .00
ATOM 970 N LYS+ 178 -13 .709 2 .727 4 .152 1, .00 0 .00
ATOM 971 H LYS+ 178 -14 .491 3 .300 4 .276 1, .00 0 .00
ATOM 972 CA LYS+ 178 -13 .144 2 .567 2 .818 1. .00 0, .00
ATOM 973 HA LYS+ 178 -12 .605 1, .632 2 .802 1. .00 0. .00
ATOM 974 CB LYS+ 178 -14 .269 2, .500 1 .785 1. .00 0. .00
ATOM 975 1HB LYS+ 178 -13 .853 2, .195 0 .837 1. .00 0. .00
ATOM 976 2HB LYS+ 178 -14 .701 3 .484 1 .677 1. .00 0. .00
ATOM 977 QB LYS+ 178 -14, .277 2 .840 1 .257 1. ,00 0, .00
ATOM 978 CG LYS+ 178 -15 .383 1, .527 2 .156 1. .00 0. .00
ATOM 979 1HG LYS+ 178 -16 .313 2 .072 2 .225 1. .00 0, .00
ATOM 980 2HG LYS+ 178 -15 .154 1 .083 3 .114 1. .00 0, .00
ATOM 981 QG LYS+ 178 -15 .733 1 .578 2 .670 1. .00 0, .00
ATOM 982 CD LYS+ 178 -15 .534 0 .418 1 .123 1. .00 0, .00
ATOM 983 1HD LYS+ 178 -14 .693 0 .453 0 .444 1. .00 0, .00
ATOM 984 2HD LYS+ 178 -16 .448 0 .577 0 .568 1. .00 0, .00
ATOM 985 QD LYS+ 178 -15 .570 0 .515 0 .506 1. .00 0, .00
ATOM 986 CE LYS+ 178 -15 .586 -0 .959 1 .773 1, .00 0, .00
ATOM 987 IHE LYS+ 178 -14 .575 -1 .291 1 .966 1. .00 0, .00
ATOM 988 2HE LYS+ 178 -16 .063 -1 .648 1 .091 1, .00 0, .00
ATOM 989 QE LYS+ 178 -15 .319 -1 .469 1 .529 1. .00 0, .00
ATOM 990 NZ LYS+ 178 -16 .344 -0 .943 3 .057 1, .00 0, .00
ATOM 991 1HZ LYS+ 178 -17 .002 -0 .142 3 .080 1. .00 0, .00
ATOM 992 2HZ LYS+ 178 -15 .685 -0 .851 3 .868 1. .00 0. .00
ATOM 993 3HZ LYS+ 178 -16 .880 -1 .825 3 .167 1. .00 0, .00
ATOM 994 QZ LYS+ 178 -16 .522 -0 .939 3 .372 1, .00 0, .00
ATOM 995 C LYS+ 178 -12 .164 3 .671 2 .462 1. .00 0, .00
ATOM 996 O LYS+ 178 -12 .282 4 .804 2 .926 1. .00 0, .00
ATOM 997 N PHE 179 -11 .197 3 .322 1 .620 1, .00 0, .00
ATOM 998 H PHE 179 -11 .174 2 .400 1 .276 1, .00 0, .00
ATOM 999 CA PHE 179 -10 .175 4 .254 1 .177 1, .00 0, .00
ATOM 1000 HA PHE 179 -10 .501 5 .256 1 .407 1, .00 0, .00
ATOM 1001 CB PHE 179 -8 .847 3 .976 1. .880 1, .00 0, .00
ATOM 1002 1HB PHE 179 -8 .110 4 .635 1 .474 1, .00 0, .00
ATOM 1003 2HB PHE 179 -8 .543 2 .964 1 .677 1, .00 0, .00
ATOM 1004 QB PHE 179 -8 .326 3 .800 1 .576 1, .00 0, .00
ATOM 1005 QD PHE 179 -8 .877 4 .191 3 .537 1, .00 0, .00
ATOM 1006 QE PHE 179 -8 .923 4 .513 5 .974 1, .00 0, .00
ATOM 1007 QR PHE 179 -8 .909 4 .416 5 .244 1, .00 0, .00
ATOM 1008 CG PHE 179 -8 .874 4 .169 3 .371 1, .00 0, .00
ATOM 1009 CD1 PHE 179 -9 .360 3 .175 4 .207 1. .00 0, .00
ATOM 1010 1HD PHE 179 -9 .722 2 .252 3 .778 1, .00 0, .00
ATOM 1011 CE1 PHE 179 -9 .386 3 .353 5 .576 1, .00 0, .00
ATOM 1012 IHE PHE 179 -9 .770 2 .571 6 .215 1, .00 0, .00
ATOM 1013 CZ PHE 179 -8 .925 4 .532 6 .127 1, .00 0, .00
ATOM 1014 HZ PHE 179 -8 .945 4 .675 7 .198 1, .00 0, .00
ATOM 1015 CE2 PHE 179 -8, .437 5, .530 5, .306 1. ,00 0. .00
ATOM 1016 2HE PHE 179 -8, .076 6, .454 5, .733 1. ,00 0. .00
ATOM 1017 CD2 PHE 179 -8, .415 5, .347 3, .936 1. ,00 0. .00
ATOM 1018 2HD PHE 179 -8. .032 6, .129 3, .295 1. ,00 0. .00
ATOM 1019 C PHE 179 -9, .957 4, .120 -0, .316 1. ,00 0. .00
ATOM 1020 O PHE 179 -10, .643 3, .346 -0, .984 1. ,00 0. .00
ATOM 1021 N ARG+ 180 -8. .979 4, .855 -0, .824 1. ,00 0. .00
ATOM 1022 H ARG+ 180 -8, .462 5, .438 -0, .223 1. ,00 0. .00
ATOM 1023 CA ARG+ 180 -8, .633 4, .808 -2, .240 1. ,00 0. .00
ATOM 1024 HA ARG+ 180 -9, .014 3. .880 -2, .645 1. ,00 0. .00
ATOM 1025 CB ARG+ 180 -9. ,264 5. ,977 -3. .004 1. 00 0. ,00
ATOM 1026 1HB ARG+ 180 -8. ,990 5. ,890 -4. .047 1. 00 0. ,00
ATOM 1027 2HB ARG+ 180 -8. .868 6. ,903 -2. .617 1. 00 0. ,00
ATOM 1028 QB ARG+ 180 -8. .929 6. .397 -3. .332 1. 00 0. ,00 -o CS σv Ul Ul *. -fc. J u. t to
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" M ' ta ta ιa .t?. -wJ -taJ αJ dJ αJ cJ_! αJ ^ ^i α_ α . G_ G ^ G ^ α ^ α ^ c _p „tH ^tH ^tH ^|-ι .t_H. .tr_,. .t μ «ι ^ co o t s] α] m μ ^ α] αι ω to u ^ rfi io m [» μ ω ω u m ^ ono o μ θ ri cn VD ιP. ιπ ω to ω w ^ si μ oi iji μ o ^ ui si oi ^ ^ tJ oi iii Ni oi iD ^ o tii w ui o w o w tn tD tπ αi w o ^ αi NHji i- ^ o rfi ^ μ i- μ μ αi tπ ui w oi ^ u ϋi ^ o t ω N Oi --i! o fr U - ^1 rf^ o LΠ rt H rt H H rt rt rt rt rt rt rt rt rt rtrtrtrtrtrtrtrt rtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrt rtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrt oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo ooooooooooooooooooooooooσooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo ooooooooooooooooooooooooσooooooooooooooooooooooooooooooooooooooooooooooo
257 -
ATOM 331 N MET 141 -7 .520 6 .671 -6 .693 1 .00 0 .00
ATOM 332 H MET 141 -6 .771 7 .064 -7 .188 1 .00 0 .00
ATOM 333 CA MET 141 -8 .816 7 .354 -6 .703 1 .00 0 .00
ATOM 334 HA MET 141 -9 .199 7 .357 -5 .695 1 .00 0 .00
ATOM 335 CB MET 141 -8 .633 8 .803 -7 .181 1 .00 0 .00
ATOM 336 1HB MET 141 -8 .436 8 .790 -8 .245 1 .00 0 .00
ATOM 337 2HB MET 141 -7 .781 9 .230 -6 .675 1 .00 0 .00
ATOM 338 QB MET 141 -8 .109 9 .010 -7 .460 1 .00 0 .00
ATOM 339 CG MET 141 -9 .835 9 .706 -6 .934 1 .00 0 .00
ATOM 340 1HG MET 141 -10 .727 9 .184 -7 .251 1 .00 0 .00
ATOM 341 2HG MET 141 -9 .718 10 .603 -7 .524 1 .00 0 .00
ATOM 342 QG MET 141 -10 .223 9 .894 -7 .387 1 .00 0 .00
ATOM 343 SD MET 141 -10 .022 10 .175 -5 .204 1 .00 0 .00
ATOM 344 QE MET 141 -9 .970 12 .321 -5 .359 1 .00 0 .00
ATOM 345 CE MET 141 -9 .979 11 .962 -5 .333 1 .00 0 .00
ATOM 346 IHE MET 141 -8 .954 12 .300 -5 .303 1 .00 0 .00
ATOM 347 2HE MET 141 -10 .526 12 .396 -4 .509 1 .00 0 .00
ATOM 348 3HE MET 141 -10 .430 12 .268 -6 .266 1 .00 0 .00
ATOM 349 C MET 141 -9 .808 6 .614 -7 .612 1 .00 0 .00
ATOM 350 O MET 141 -10 .700 7 .219 -8 .211 1 .00 0 .00
ATOM 351 N ASP 142 -9 .647 5 .301 -7 .697 1 .00 0 .00
ATOM 352 H ASP 142 -8 .926 4 .878 -7 .186 1 .00 0 .00
ATOM 353 CA ASP 142 -10 .503 4 .468 -8 .515 1 .00 0 .00
ATOM 354 HA ASP 142 -11 .156 5 .109 -9 .086 1 .00 0 .00
ATOM 355 CB ASP 142 -9 .657 3 .625 -9 .474 1 .00 0 .00
ATOM 356 1HB ASP 142 -10 .315 3, .072 -10 .116 1, .00 0 .00
ATOM 357 2HB ASP 142 -9 .062 2, .932 -8 .901 1, .00 0 .00
ATOM 358 QB ASP 142 -9 .689 3, .002 -9 .508 1, .00 0 .00
ATOM 359 CG ASP 142 -8 .721 4, .446 -10 .342 1, .00 0 .00
ATOM 360 OD1 ASP 142 -9 .033 5. .617 -10 .617 1, .00 0 .00
ATOM 361 OD2 ASP 142 -7 .666 3. .907 -10 .744 1, .00 0 .00
ATOM 362 C ASP 142 -11 .333 3, .537 -7 .646 1, .00 0 .00
ATOM 363 O ASP 142 -12 .562 3 .512 -7 .729 1 .00 0 .00
ATOM 364 N VAL 143 -10 .648 2 .756 -6 .823 1 .00 0 .00
ATOM 365 H VAL 143 -9 .671 2, .816 -6 .813 1 .00 0 .00
ATOM 366 CA VAL 143 -11 .307 1, .793 -5 .952 1, .00 0 .00
ATOM 367 HA VAL 143 -12, .255 1. .539 -6, .402 1. .00 0, .00
ATOM .368 CB VAL 143 -10, .466 0. .502 -5, .840 1. .00 0, .00
ATOM 369 HB VAL 143 -9, .830 0. .587 -4, .969 1. .00 0, .00
ATOM 370 QG1 VAL 143 -11, .565 -1. .002 -5, .616 1. .00 0. .00
ATOM 371 QG2 VAL 143 -9 .367 0. .277 -7 .349 1, .00 0 .00
ATOM 372 CGI VAL 143 -11, .357 -0, .713 -5 .658 1, .00 0, .00
ATOM 373 1HG1 VAL 143 -10 .827 -1, .593 -5 .993 1. .00 0, .00
ATOM 374 2HG1 VAL 143 -12, .257 -0, .591 -6 .241 1, .00 0, .00
ATOM 375 3HG1 VAL 143 .-11 .612 -0, .821 -4 .615 1, .00 0, .00
ATOM 376 CG2 VAL 143 -9. .577 0. .321 -7, .061 1, .00 0, .00
ATOM 377 1HG2 VAL 143 -8, .547 0, .488 -6, .784 1. .00 0, .00
ATOM 378 2HG2 VAL 143 -9, .865 1. .028 -7, .825 1. .00 0, .00
ATOM 379 3HG2 VAL 143 -9. .689 -0. .684 -7, .440 1. .00 0, .00
ATOM 380 QQG VAL 143 -10, .466 -0. .362 -6, .483 1. .00 0, .00
ATOM 381 C VAL 143 -11, .565 2. .375 -4, .558 1. ,00 0. .00
ATOM 382 0 VAL 143 -10. .959 3. ,371 -4, .167 1. ,00 0. .00
ATOM 383 N CYS 144 -12, .483 1. ,748 -3, .825 1. ,00 0. ,00
ATOM 384 H CYS 144 -12, .933 0. .963 -4, .204 1. ,00 0. .00
ATOM 385 CA CYS 144 -12. .850 2. ,183 -2, .475 1. ,00 0. .00
ATOM 386 HA CYS 144 -12, .005 2, .702 -2, .034 1. ,00 0, .00
ATOM 387 CB CYS 144 -14, .058 3, .119 -2, .530 1. .00 0. .00
ATOM 388 1HB CYS 144 -14. ,624 3. ,011 -1. .615 1. 00 0. .00
ATOM 389 2HB CYS 144 -14. .682 2. .837 -3. ,364 1. 00 0. ,00
ATOM 390 QB CYS 144 -14. .653 2. ,924 -2. ,489 1. 00 0. ,00
ATOM 391 SG CYS 144 -13. ,643 4. ,879 -2. .721 1. 00 0. ,00
ATOM 392 C CYS 144 -13. ,198 0. ,980 -1. ,617 1. 00 0. ,00
ATOM 393 0 CYS 144 -14. .360 0. .587 -1, .542 1. ,00 0. .00
ATOM 394 N GLU 145 -12. .200 0. .384 -0. .988 1. ,00 0. ,00
ATOM 395 H GLU 145 -11. .287 0. .723 -1. .091 1. ,00 0. ,00
ATOM 396 CA GLU 145 -12. .427 -0. ,788 -0. .170 1. ,00 0. ,00
ATOM 397 HA GLU 145 -13. ,471 -1. ,050 -0. ,249 1. ,00 0. ,00
ATOM 398 CB GLU 145 -11. .596 -1. ,937 -0. .713 1. 00 0. ,00
ATOM 399 1HB GLU 145 -11. 349 -2. 607 0. 094 1. 00 0. 00
ATOM 400 2HB GLU 145 -10. 681 -1. 541 -1. 135 1. 00 0. 00
ATOM 401 QB GLU 145 -11. .015 -2. ,074 -0. ,520 1. 00 0. 00
ATOM 402 CG GLU 145 -12. ,332 -2. 724 -1. .779 1. 00 0. 00 258 -
ATOM 403 1HG GLU 145 -11 .747 -3 .593 -2 .042 1 .00 0 .00
ATOM 404 2HG GLU 145 -12 .465 -2 .098 -2 .649 1 .00 0 .00
ATOM 405 QG GLU 145 -12 .106 -2 .845 -2 .345 1 .00 0 .00
ATOM 406 CD GLU 145 -13 .689 -3 .180 -1 .292 1 .00 0 .00
ATOM 407 OE1 GLU 145 -14 .674 -3 .008 -2 .031 1 .00 0 .00
ATOM 408 OE2 GLU 145 -13 .762 -3 .699 -0 .156 1 .00 0 .00
ATOM 409 C GLU 145 -12 .091 -0 .543 1 .289 1 .00 0 .00
ATOM 410 O GLU 145 -11 .687 0 .555 1 .673 1 .00 0 .00
ATOM 411 N THR 146 -12 .267 -1 .580 2 .094 1 .00 0 .00
ATOM 412 H THR 146 -12 .595 -2 .425 1 .715 1 .00 0 .00
ATOM 413 CA THR 146 -11 .994 -1 .508 3 .517 1 .00 0 .00
ATOM 414 HA THR 146 -12 .320 -0 .539 3 .868 1 .00 0 .00
ATOM 415 CB THR 146 -12 .790 -2 .595 4 .245 1 .00 0 .00
ATOM 416 HB THR 146 -12 .223 -3 .517 4 .227 1 .00 0 .00
ATOM 417 QG2 THR 146 -13 .174 -2 .186 6 .035 1 .00 0 .00
ATOM 418 OG1 THR 146 -14 .026 -2 .818 3 .586 1 .00 0 .00
ATOM 419 1HG THR 146 -14 .676 -3 .147 4 .218 1, .00 0, .00
ATOM 420 CG2 THR 146 -13, .099 -2 .265 5 .690 1, .00 0, .00
ATOM 421 1HG2 THR 146 -13, .605 -3 .101 6 .152 1, .00 0. .00
ATOM 422 2HG2 THR 146 -13 .737 -1 .392 5 .734 1 .00 0 .00
ATOM 423 3HG2 THR 146 -12 .180 -2 .065 6 .219 1 .00 0, .00
ATOM 424 C THR 146 -10 .498 -1 .651 3 .790 1, .00 0. .00
ATOM 425 O THR 146 -9, .726 -2 .026 2, .905 1, .00 0, .00
ATOM 426 N HIS+ 147 -10 .107 -1 .346 5 .024 1 .00 0 .00
ATOM 427 H HIS+ 147 -10 .784 -1 .052 5 .668 1 .00 0, .00
ATOM 428 CA HIS+ 147 -8 .713 -1 .424 5, .460 1, .00 0, .00
ATOM 429 HA HIS+ 147 -8, .156 -0 .651 4, .952 1, .00 0, .00
ATOM 430 CB HIS+ 147 -8, .641 -1 .181 6, .972 1, .00 0, .00
ATOM 431 1HB HIS+ 147 -8 .460 -2 .123 7 .471 1 .00 0 .00
ATOM 432 2HB HIS+ 147 -9 .584 -0 .779 7 .310 1 .00 0, .00
ATOM 433 QB HIS+ 147 -9 .022 -1 .451 7 .391 1, .00 0, .00
ATOM 434 CG HIS+ 147 -7, .565 -0, .228 7, .385 1, .00 0, .00
ATOM 435 ND1 HIS+ 147 -7 .725 0 .708 8 .385 1 .00 0 .00
ATOM 436 CD2 HIS+ 147 -6 .306 -0 .071 6 .926 1, .00 0, .00
ATOM 437 1HD HIS+ 147 -8 .538 0 .849 8, .918 1, .00 0, .00
ATOM 438 CE1 HIS+ 147 -6, .605 1 .399 8, .518 1, .00 0, .00
ATOM 439 NE2 HIS+ 147 -5, .728 0 .945 7, .643 1, .00 0, .00
ATOM 440 2HD HIS+ 147 -5, .839 -0, .640 6, .133 1. .00 0, .00
ATOM 441 IHE HIS+ 147 -6 .435 2 .197 9, .222 1, .00 0, .00
ATOM 442 2HE HIS+ 147 -4 .880 1 .387 7, .416 1, .00 0. .00
ATOM 443 C HIS+ 147 -8, .090 -2 .783 5, .139 1. .00 0. .00
ATOM 444 O HIS+ 147 -6, .911 -2 .873 4. .796 1, .00 0, .00
ATOM 445 N LEU 148 -8 .889 -3 .835 5, .269 1, .00 0, .00
ATOM 446 H LEU 148 -9 .813 -3 .697 5, .554 1, .00 0, .00
ATOM 447 CA LEU 148 -8, .424 -5, .190 5, .016 1, .00 0, .00
ATOM 448 HA LEU 148 -7, .510 -5, .332 5, .572 1. .00 0, .00
ATOM 449 CB LEU 148 -9, .463 -6, .197 5, .521 1. .00 0, .00
ATOM 450 1HB LEU 148 -10, .426 -5, .921 5, .119 1, .00 0, .00
ATOM 451 2HB LEU 148 -9, .506 -6 .127 6, .598 1. .00 0, .00
ATOM 452 QB LEU 148 -9, .966 -6, .024 5. .859 1, .00 0, .00
ATOM 453 CG LEU 148 -9, .189 -7, .652 5, .146 1, .00 0. .00
ATOM 454 HG LEU 148 -8 .768 -7 .685 4, .153 1, .00 0, .00
ATOM 455 QD1 LEU 148 -7 .947 -8 .419 6, .331 1, .00 0. .00
ATOM 456 QD2 LEU 148 -10, .787 -8, .642 5, .137 1, .00 0, .00
ATOM 457 CD1 LEU 148 -8, .185 -8, .271 6. .104 1. .00 0, .00
ATOM 458 1HD1 LEU 148 -8. .107 -9. .331 5. ,907 1. .00 0. ,00
ATOM 459 2HD1 LEU 148 -8, .514 -8. .118 7. ,121 1. .00 0. .00
ATOM 460 3HD1 LEU 148 -7, .220 -7, .808 5, .963 1. .00 0, .00
ATOM 461 CD2 LEU 148 -10, .481 -8, .452 5, .138 1. .00 0, .00
ATOM 462 1HD2 LEU 148 -10. .952 -8, .387 6. ,108 1. ,00 0. .00
ATOM 463 2HD2 LEU 148 -10, .262 -9, .485 4, .914 1, .00 0, .00
ATOM 464 3HD2 LEU 148 -11, .147 -8, .054 4. .387 1. .00 0, .00
ATOM 465 QQD LEU 148 -9, .367 -8. .530 5. .734 1. .00 0. ,00
ATOM 466 C LEU 148 -8, .134 -5, .434 3. .536 1. .00 0. ,00
ATOM 467 O LEU 148 -7, .146 -6, .085 3. ,200 1. ,00 0. ,00
ATOM 468 N HIS+ 149 -8. .993 -4. .928 2. ,652 1. ,00 0. ,00
ATOM 469 H HIS+ 149 -9. .769 -4, .423 2. .967 1. .00 0. .00
ATOM 470 CA HIS+ 149 -8, .796 -5. .130 1. .219 1. .00 0. ,00
ATOM 471 HA HIS+ 149 -8. ,745 -6. ,197 1. 056 1. 00 0. 00
ATOM 472 CB HIS+ 149 -9. 957 -4. 575 0. 398 1. 00 0. 00
ATOM 473 1HB HIS+ 149 -9. ,590 -3. .785 -0. 243 1. 00 0. ,00
ATOM 474 2HB HIS+ 149 -10. ,713 -4. ,172 1. 056 1. 00 0. 00 oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo ooooooooooooooooooooooooooooooooooooooooσooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo riririririririri H ri ri ri ri ri ri ri ri ri ri ri ri ri rt rt rt rt rt ri co ri "tf oι ιn o cnri o CM Co co cM ^ vD in in Ln r ,d, ι t^ co ι oι ^ιι o co ιn r^ ri co co o ri t^ ^, t^ o ιn cθ '^. o c o ιn -ςiι oι vD cD vo Ln CO Ln vo CO VD CM O Ol O Lfl O- O CO Cn o r^ cn t^ o o ri vo o oι co ^. σι t^ co co vo co o c^ cn co co vo co c^ oi ri VD co cn co ri o co cM oι vo co cn vo t^ cM ^. CM CO VO -ζ. VD O CO CO O CO CO CO CO O
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∞ α is o c ra i Λ is ω i ts ro ω ^ ri∞ αa o cjΛ o c ^ cs ^ in .^ tn ^ in cn ro ri ∞ vo ω c o vo m ri in ω rD VD ts o in i ^ ^ ri ri ri cη ts n o ri VD riririririririririririririririririririri o ri o o ri tN o o o o cn cn o o cn en co co ch o ri ri o o co co t co is ts o is ts ω is ω Ch ts i oD Λ co ω is o
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + uj cQ w w w oj oj ω ω Q c o Q O c oj CQ w cQ rj w o ω
u pa cp σu cP Cp σu cP Cp σu cp iB σa w cP CP CTU P a pp u K u cp cp αω u p a cp u cp u cp cp picj cp pp αu cP Cp σu cp cp CJ CP CP σ α o ri oi fO ^ i vD t^ co m o ri oi o ^ t^ oo ∞ oo co co co co ro oo m H rl rl ri rl ri H ri H ri ri rl H rl ri rl ri H H H Ci rl π π 22222222222222222222222222222 OPOOPPPPOOOOPOOOOOPPOOOOOOOPO rtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrt
272
ATOM 209 QR PHE 135 6 .436 6 .470 0 .944 1, .00 0 .00
ATOM 210 CG PHE 135 7 .354 4 .828 1, .099 1, .00 0 .00
ATOM 211 CD1 PHE 135 7 .753 5 .776 0 .171 1, .00 0 .00
ATOM 212 1HD PHE 135 8 .598 5 .567 -0 .471 1, .00 0 .00
ATOM 213 CE1 PHE 135 7 .084 6 .977 0 .054 1, .00 0 .00
ATOM 214 IHE PHE 135 7 .407 7 .707 -0 .674 1, .00 0 .00
ATOM 215 CZ PHE 135 6 .005 7 .243 0 .869 1, .00 0 .00
ATOM 216 HZ PHE 135 5, .478 8 .182 0, .781 1, .00 0, .00
ATOM 217 CE2 PHE 135 5, .597 6 .306 1, .798 1, .00 0 .00
ATOM 218 2HE PHE 135 4, .749 6 .514 2, .441 1, .00 0 .00
ATOM 219 CD2 PHE 135 6, .272 5 .109 1, .914 1. .00 0 .00
ATOM 220 2HD PHE 135 5, .950 4 .379 2, .643 1, .00 0, .00
ATOM 221 C PHE 135 6, .844 2 .771 -0, .833 1, .00 0, .00
ATOM 222 O PHE 135 7, .365 3 .397 -1, .754 1, .00 0, .00
ATOM 223 N LEU 136 5, .580 2 .373 -0, .854 1, .00 0, .00
ATOM 224 H LEU 136 5 .233 1 .842 -0 .103 1 .00 0 .00
ATOM 225 CA LEU 136 4 .700 2 .667 -1 .973 1 .00 0 .00
ATOM 226 HA LEU 136 5 .256 3 .264 -2 .682 1, .00 0 .00
ATOM 227 CB LEU 136 4 .240 1 .378 -2 .660 1, .00 0 .00
ATOM 228 1HB LEU 136 3 .606 1 .648 -3 .491 1, .00 0, .00
ATOM 229 2HB LEU 136 3 .650 0 .813 -1 .952 1, .00 0 .00
ATOM 230 QB LEU 136 3, .628 1 .230 -2 .722 1, .00 0 .00
ATOM 231 CG LEU 136 5 .356 0 .475 -3 .183 1, .00 0 .0.0
ATOM 232 HG LEU 136 6 .260 1 .054 -3 .288 1, .00 0, .00
ATOM 233 QD1 LEU 136 5, .689 -0 .916 -1, .966 1, .00 0, .00
ATOM 234 QD2 LEU 136 4, .901 -0 .217 -4, .871 1, .00 0, .00
ATOM 235 CD1 LEU 136 5, .626 -0 .650 -2, .201 1, .00 0, .00
ATOM 236 1HD1 LEU 136 5, .121 -1, .546 -2, .530 1, .00 0, .00
ATOM 237 2HD1 LEU 136 5, .258 -0 .368 -1, .224 1, .00 0, .00
ATOM 238 3HD1 LEU 136 6, .688 -0 .833 -2, .145 1. .00 0, .00
ATOM 239 CD2 LEU 136 4. .989 -0 .085 -4, .548 1. .00 0. .00
ATOM 240 1HD2 LEU 136 4, .544 -1, .062 -4, .428 1. .00 0, .00
ATOM 241 2HD2 LEU 136 5, .877 -0, .164 -5. .156 1. .00 0, .00
ATOM 242 3HD2 LEU 136 4, .282 0 .575 -5 .029 1. .00 0 .00
ATOM 243 QQD LEU 136 5 .295 -0 .566 -3 .419 1, .00 0 .00
ATOM 244 C LEU 136 3, .481 3 .450 -1 .518 1, .00 0, .00
ATOM 245 O LEU 136 2, .441 2 .870 -1 .219 1, .00 0, .00
ATOM 246 N HIS+ 137 3, .608 4 .762 -1 .496 1, .00 0, .00
ATOM 247 H HIS+ 137 4, .460 5 .164 -1 .767 1, .00 0, .00
ATOM 248 CA HIS+ 137 2, .507 5 .632 -1, .113 1. .00 0, .00
ATOM 249 HA HIS+ 137 1, .830 5 .070 -0, .477 1, .00 0, .00
ATOM 250 CB HIS+ 137 3, .054 6 .850 -0, .360 1, .00 0, .00
ATOM 251 1HB HIS+ 137 3, .729 7 .377 -1, .012 1. .00 0, .00
ATOM 252 2HB HIS+ 137 3, .605 6 .505 0, .502 1. .00 0, .00
ATOM 253 QB HIS+ 137 3, .667 6 .941 -0, .255 1. .00 0, .00
ATOM 254 CG HIS+ 137 2, .030 7 .833 0, .130 1. .00 0, .00
ATOM 255 ND1 HIS+ 137 1, .231 8 .588 -0, .704 1. ,00 0, .00
ATOM 256 CD2 HIS+ 137 1, .712 8 .214 1, .389 1. .00 0. .00
ATOM 257 1HD HIS+ 137 1, .216 8 .543 -1, .692 1. .00 0. .00
ATOM 258 CE1 HIS+ 137 0, .473 9 .388 0, .022 1. .00 0. .00
ATOM 259 NE2 HIS+ 137 O, .744 9, .180 1, .296 1. ,00 0. .00
ATOM 260 2HD HIS+ 137 2 .142 7 .824 2 .304 1, .00 0, .00
ATOM 261 IHE HIS+ 137 -O .257 10 .087 -0 .365 1, .00 0, .00
ATOM 262 2HE HIS+ 137 0 .205 9 .509 2 .044 1, .00 0, .00
ATOM 263 C HIS+ 137 1 .790 6 .069 -2 .383 1. .00 0, .00
ATOM 264 O HIS+ 137 2, .228 7 .000 -3 .058 1. .00 0, .00
ATOM 265 N GLN 138 0 .721 5 .372 -2, .735 1. .00 0. .00
ATOM 266 H GLN 138 0, .429 4 .615 -2, .178 1. .00 0. .00
ATOM 267 CA GLN 138 -0, .007 5 .686 -3, .957 1. ,00 0. .00
ATOM 268 HA GLN 138 0, .399 6 .602 -4, .360 1. ,00 0, .00
ATOM 269 CB GLN 138 0, .178 4 .561 -4, .985 1. .00 0. .00
ATOM 270 1HB GLN 138 0, .135 4, .989 -5, .976 1. .00 0. .00
ATOM 271 2HB GLN 138 -0. .630 3, .853 -4, .874 1. ,00 0. ,00
ATOM 272 QB GLN 138 -0, .248 4, .421 -5, .425 1. ,00 0. ,00
ATOM 273 CG GLN 138 1. .497 3, .806 -4. .850 1. ,00 0. .00
ATOM 274 1HG GLN 138 1. .337 2, .777 -5, .137 1. ,00 0. .00
ATOM 275 2HG GLN 138 1. .813 3, .845 -3. ,818 1. ,00 0. .00
ATOM 276 QG GLN 138 1. .575 3, .311 -4. .478 1. 00 0. .00
ATOM 277 CD GLN 138 2, .603 4 .383 -5, .714 1. .00 0. .00
ATOM 278 OE1 GLN 138 2, .348 4 .906 -6, .797 1. .00 0. .00
ATOM 279 NE2 GLN 138 3, .841 4 .285 -5, .241 1. ,00 0. .00
ATOM 280 IHE2 GLN 138 3, .974 3, .851 -4. .374 1. .00 0. .00 273
ATOM 281 2HE2 GLN 138 4 .572 4 .653 -5 .780 1 .00 0 .00
ATOM 282 QE2 GLN 138 4 .273 4 .252 -5 .077 1 .00 0 .00
ATOM 283 C GLN 138 -1 .493 5 .882 -3 .677 1, .00 0 .00
ATOM 284 O GLN 138 -2 .113 5 .083 -2 .970 1 .00 0 .00
ATOM 285 N GLU 139 -2 .061 6 .941 -4 .238 1 .00 0 .00
ATOM 286 H GLU 139 -1 .518 7 .540 -4 .791 1 .00 0 .00
ATOM 287 CA GLU 139 -3 .475 7 .236 -4 .050 1 .00 0 .00
ATOM 288 HA GLU 139 -3 .802 6 .712 -3 .164 1 .00 0 .00
ATOM 289 CB GLU 139 -3, .695 8, .741 -3 .843 1, .00 0 .00
ATOM 290 1HB GLU 139 -4 .041 8 .905 -2 .832 1, .00 0 .00
ATOM 291 2HB GLU 139 -4 .454 9 .077 -4 .530 1, .00 0 .00
ATOM 292 QB GLU 139 -4, .248 8, .991 -3 .681 1, .00 0 .00
ATOM 293 CG GLU 139 -2. .451 9, .590 -4 .059 1. .00 0 .00
ATOM 294 1HG GLU 139 -2 .755 10 .584 -4 .351 1, .00 0 .00
ATOM 295 2HG GLU 139 -1 .859 9 .150 -4 .846 1, .00 0 .00
ATOM 296 QG GLU 139 -2 .307 9 .867 -4 .599 1 .00 0 .00
ATOM 297 CD GLU 139 -1 .600 9 .692 -2 .814 1, .00 0 .00
ATOM 298 OE1 GLU 139 -0 .380 9 .456 -2 .916 1, .00 0 .00
ATOM 299 OE2 GLU 139 -2 .154 9 .997 -1 .737 1 .00 0 .00
ATOM 300 C GLU 139 -4 .303 6 .749 -5 .239 1, .00 0 .00
ATOM 301 O GLU 139 -4 .292 7 .356 -6 .310 1, .00 0 .00
ATOM 302 N ARG+ 140 -5 .032 5 .661 -5 .035 1, .00 0 .00
ATOM 303 H ARG+ 140 -5 .012 5 .232 -4 .153 1, .00 0 .00
ATOM 304 CA ARG+ 140 -5, .886 5, .097 -6 .074 1. .00 0 .00
ATOM 305 HA ARG+ 140 -5 .513 5 .422 -7 .034 1, .00 0 .00
ATOM 306 CB ARG+ 140 -5 .856 3 .562 -6 .004 1, .00 0 .00
ATOM 307 1HB ARG+ 140 -6, .431 3 .245 -5 .144 1. .00 0 .00
ATOM 308 2HB ARG+ 140 -4, .835 3, .239 -5 .880 1. .00 0, .00
ATOM 309 QB ARG+ 140 -5 .633 3 .242 -5 .512 1, .00 0 .00
ATOM 310 CG ARG+ 140 -6 .428 2 .873 -7 .232 1, .00 0 .00
ATOM 311 1HG ARG+ 140 -7, .269 3, .450 -7 .595 1. .00 0 .00
ATOM 312 2HG ARG+ 140 -6 .762 1 .885 -6 .953 1, .00 0 .00
ATOM 313 QG ARG+ 140 -7 .016 2 .667 -7 .274 1, .00 0 .00
ATOM 314 CD ARG+ 140 -5 .398 2 .751 -8 .342 1, .00 0 .00
ATOM 315 1HD ARG+ 140 -4 .412 2 .860 -7 .915 1, .00 0 .00
ATOM 316 2HD ARG+ 140 -5, .568 3, .543 -9, .060 1. .00 0, .00
ATOM 317 QD ARG+ 140 -4, .990 3, .201 -8, .488 1. ,00 0, .00
ATOM 318 NE ARG+ 140 -5, .483 1, .460 -9 .029 1. .00 0, .00
ATOM 319 HE ARG+ 140 -4, .927 0, .728 -8, .683 1. .00 0, .00
ATOM 320 CZ ARG+ 140 -6 .266 1 .234 -10 .086 1, .00 0 .00
ATOM 321 NH1 ARG+ 140 -7, .040 2 .203 -10 .562 1. .00 0 .00
ATOM 322 1HH1 ARG+ 140 -7, .042 3, .117 -10, .120 1. .00 0, .00
ATOM 323 2HH1 ARG+ 140 -7, .626 2, .042 -11, .354 1. .00 0, .00
ATOM 324 QH1 ARG+ 140 -7 .334 2 .579 -10 .737 1, .00 0 .00
ATOM 325 NH2 ARG+ 140 -6 .279 0, .036 -10 .661 1. .00 0 .00
ATOM 326 1HH2 ARG+ 140 -5, .703 -0, .700 -10 .302 1. .00 0, .00
ATOM 327 2HH2 ARG+ 140 -6, .866 -0, .135 -11, .454 1. .00 0, .00
ATOM 328 QH2 ARG+ 140 -6 .285 -0 .418 -10 .878 1. .00 0 .00
ATOM 329 C ARG+ 140 -7, .312 5, .604 -5. .889 1. .00 0. .00
ATOM 330 O ARG+ 140 -8, .158 4, .907 -5, .331 1. .00 0, .00
ATOM 331 N MET 141 -7, .570 6, .829 -6, .342 1. ,00 0. .00
ATOM 332 H MET 141 -6, .848 7, .339 -6, .767 1. ,00 0. .00
ATOM 333 CA MET 141 -8, .893 7, .447 -6 .203 1. .00 0, .00
ATOM 334 HA MET 141 -9, .228 7, .280 -5, .192 1. ,00 0. .00
ATOM 335 CB MET 141 -8, .785 8, .958 -6, .448 1. ,00 0, .00
ATOM 336 1HB MET 141 -8. .969 9, .149 -7. .496 1. ,00 0. .00
ATOM 337 2HB MET 141 -7, .784 9, .280 -6 .203 1. ,00 0. .00
ATOM 338 QB MET 141 -8, .377 9, .214 -6 .850 1. .00 0, .00
ATOM 339 CG MET 141 -9 .768 9 .792 -5 .635 1. .00 0, .00
ATOM 340 1HG MET 141 -9 .215 10 .554 -5 .104 1. .00 0. .00
ATOM 341 2HG MET 141 -10, .259 9, .147 -4 .922 1. ,00 0, .00
ATOM 342 QG MET 141 -9. .737 9. ,850 -5, .013 1. 00 0. ,00
ATOM 343 SD MET 141 -11, .030 10, .593 -6, .646 1. 00 0. ,00
ATOM 344 QE MET 141 -9. .858 11. .285 -8, .314 1. 00 0. ,00
ATOM 345 CE MET 141 -10, .053 11, .170 -8, .034 1. 00 0. .00
ATOM 346 IHE MET 141 -9, .043 11, .367 -7, .707 1. ,00 0. .00
ATOM 347 2HE MET 141 -10. .488 12, .077 -8, .429 1. 00 0. .00
ATOM 348 3HE MET 141 -10, .041 10, .412 -8, .805 1. ,00 0. .00
ATOM 349 C MET 141 -9, .915 6, .831 -7, .165 1. 00 0. ,00
ATOM 350 O MET 141 -10, .825 7, .512 -7. .639 1. 00 0. ,00
ATOM 351 N ASP 142 -9. .761 5. .544 -7. .'441 1. 00 0. ,00
ATOM 352 H ASP 142 -9, .023 5, .057 -7. .028 1. 00 0. ,00 — 274 -
ATOM 353 CA ASP 142 10 651 4 832 -8 337 1 00 0 00
ATOM 354 HA ASP 142 11 342 5 545 -8 761 1 00 0 00
ATOM 355 CB ASP 142 -9 851 4 177 -9 463 1 00 0 00
ATOM 356 1HB ASP 142 10 500 4 031 -10 303 1 00 0 00
ATOM 357 2HB ASP 142 -9 488 3 219 -9 126 1 00 0 00
ATOM 358 QB ASP 142 -9 994 3 625 -9 715 1 00 0 00
ATOM 359 CG ASP 142 -8 666 5 004 -9 913 1 00 0 00
ATOM 360 OD1 ASP 142 -8 877 6 021 -10 596 1 00 0 00
ATOM 361 0D2 ASP 142 -7 522 4 622 -9 591 1 00 0 00
ATOM 362 C ASP 142 11 431 3 759 -7 592 1 00 0 00
ATOM 363 O ASP 142 12 632 3 590 -7 798 1 00 0 00
ATOM 364 N VAL 143 10 734 3 018 -6 742 1 00 0 00
ATOM 365 H VAL 143 -9 776 3 189 -6 630 1 00 0 00
ATOM 366 CA VAL 143 11 358 1 942 -5 987 1 00 0 00
ATOM 367 HA VAL 143 12 314 1 733 -6 445 1 00 0 00
ATOM 368 CB VAL 143 10 504 0 657 -6 039 1 00 0 00
ATOM 369 HB VAL 143 -9 863 0 641 -5 169 1 00 0 00
ATOM 370 QG1 VAL 143 11 597 -0 871 -5 986 1 00 0 00
ATOM 371 QG2 VAL 143 -9 413 0 630 -7 572 1 00 0 00
ATOM 372 CGI VAL 143 11 388 -0 577 -5 997 1 00 0 00
ATOM 373 1HG1 VAL 143 11 279 -1 066 -5 038 1 00 0 00
ATOM 374 2HG1 VAL 143 11 091 -1 257 -6 782 1 00 0 00
ATOM 375 3HG1 VAL 143 12 419 -0 290 -6 139 1 00 0 00
ATOM 376 CG2 VAL 143 -9 621 0 635 -7 280 1 00 0 00
ATOM 377 1HG2 VAL 143 -9 690 -0 333 -7 752 1 00 0 00
ATOM 378 2HG2 VAL 143 -8 597 0 826 -6 995 1 00 0 00
ATOM 379 3HG2 VAL 143 -9 951 1 398 -7 970 1 00 0 00
ATOM 380 QQG VAL 143 10 505 -0 120 -6 779 1 00 0 00
ATOM 381 C VAL 143 11 591 2 363 -4 534 1 00 0 00
ATOM 382 O VAL 143 10 880 3 215 -4 007 1 00 0 00
ATOM 383 N CYS 144 12 600 1 776 -3 895 1 00 0 00
ATOM 384 H CYS 144 13 140 1 109 -4 366 1 00 0 00
ATOM 385 CA CYS 144 12 932 2 113 -2 512 1 00 0 00
ATOM 386 HA CYS 144 12 084 2 625 -2 078 1 00 0 00
ATOM 387 CB CYS 144 14 146 3 044 -2 481 1 00 0 00
ATOM 388 1HB CYS 144 14 333 3 345 -1 462 1 00 0 00
ATOM 389 2HB CYS 144 15 007 2 508 -2 854 1 00 0 00
ATOM 390 QB CYS 144 14 670 2 926 -2 158 1 00 0 00
ATOM 391 SG CYS 144 13 960 4 555 -3 485 1 00 0 00
ATOM 392 C CYS 144 13 229 0 864 -1 691 1 00 0 00
ATOM 393 0 CYS 144 14 357 0 369 -1 689 1 00 0 00
ATOM 394 N GLU 145 12 220 0 360 -0 992 1 00 0 00
ATOM 395 H GLU 145 11 342 0 796 -1 031 1 00 0 00
ATOM 396 CA GLU 145 12 383 -0 835 -0 178 1 00 0 00
ATOM 397 HA GLU 145 13 423 -1 113 -0 210 1 00 0 00
ATOM 398 CB GLU 145 11 561 -1 967 -0 781 1 00 0 00
ATOM 399 1HB GLU 145 11 253 -2 640 0 002 1 00 0 00
ATOM 400 2HB GLU 145 10 679 -1 548 -1 251 1 00 0 00
ATOM 401 QB GLU 145 10 966 -2 094 -0 625 1 00 0 00
ATOM 402 CG GLU 145 12 336 -2 763 -1 822 1 00 0 00
ATOM 403 1HG GLU 145 13 087 -2 121 -2 259 1 00 0 00
ATOM 404 2HG GLU 145 12 818 -3 596 -1 334 1 00 0 00
ATOM 405 QG GLU 145 12 953 -2 859 -1 797 1 00 0 00
ATOM 406 CD GLU 145 11 459 -3 300 -2 930 1 00 0 00
ATOM 407 OE1 GLU 145 10 429 -3 930 -2 618 1 00 0 00
ATOM 408 OE2 GLU 145 11 810 -3 101 -4 108 1 00 0 00
ATOM 409 C GLU 145 11 987 -0 589 1 277 1 00 0 00
ATOM 410 O GLU 145 11 636 0 529 1 656 1 00 0 00
ATOM 411 N THR 146 12 062 -1 643 2 084 1 00 0 00
ATOM 412 H THR 146 12 356 -2 500 1 714 1 00 0 00
ATOM 413 CA THR 146 11 730 -1 567 3 504 1 00 0 00
ATOM 414 HA THR 146 11 999 -0 580 3 854 1 00 0 00
ATOM 415 CB THR 146 12 559 -2 615 4 266 1 00 0 00
ATOM 416 HB THR 146 12 263 -3 600 3 934 1 00 0 00
ATOM 417 QG2 THR 146 12 374 -2 557 6 133 1 00 0 00
ATOM 418 OG1 THR 146 13 937 -2 447 3 982 1 00 0 00
ATOM 419 1HG THR 146 14 326 -1 833 4 636 1 00 0 00
ATOM 420 CG2 THR 146 12 408 -2 569 5 773 1 00 0 00
ATOM 421 1HG2 THR 146 11 360 -2 573 6 032 1 00 0 00
ATOM 422 2HG2 THR 146 12 891 -3 431 6 211 1 00 0 00
ATOM 423 3HG2 THR 146 12 870 -1 666 6 .155 1 00 0 00
ATOM 424 C THR 146 10 226 -1 777 3 718 1 00 0 00
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O O O OO O O O O OO O O O O O O O O O O O O O O O O OO O OO OO O O OO O O OO O O O O O O O OO OO OO OO O O OO O O O O O O OO O O O
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cc rtrtrtrtrtrtrtrtrtrt rt rt rt rt rt rt rtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrtrt oooooooooooooooooooooooooo o o o oooooooooooooooooooooooooooooooooooooo ooooooooooooooooooooooooo o o o oooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo o o o o o o ooooooooooooooooooooooooooooo o o o o OO O O O O O O O o o o o o o ooooooooooooooooooooooooooooo o o o o O O O O O O O O O
- 283
ATOM 1001 CB PHE 179 -9 .187 3 .824 2 .128 1 .00 0 .00
ATOM 1002 1HB PHE 179 -8 .444 4 .579 1 .989 1, .00 0 .00
ATOM 1003 2HB PHE 179 -8 .813 2 .897 1 .723 1 .00 0 .00
ATOM 1004 QB PHE 179 -8 .629 3 .738 1 .856 1 .00 0 .00
ATOM 1005 QD PHE 179 -9 .420 3 .619 3 .767 1 .00 0 .00
ATOM 1006 QE PHE 179 -9 .760 3 .324 6 .185 1 .00 0 .00
ATOM 1007 QR PHE 179 -9 .658 3 .413 5 .461 1 .00 0 .00
ATOM 1008 CG PHE 179 -9 .396 3 .640 3 .604 1 .00 0 .00
ATOM 1009 CD1 PHE 179 -9 .202 4 .697 4 .479 1 .00 0 .00
ATOM 1010 1HD PHE 179 -8 .901 5 .658 4 .090 1 .00 0 .00
ATOM 1011 CE1 PHE 179 -9 .392 4 .533 5 .837 1 .00 0 .00
ATOM 1012 IHE PHE 179 -9 .238 5 .366 6 .508 1 .00 0 .00
ATOM 1013 CZ PHE 179 -9 .779 3 .306 6 .336 1 .00 0 .00
ATOM 1014 HZ PHE 179 -9 .930 3 .176 7 .398 1 .00 0 .00
ATOM 1015 CE2 PHE 179 -9 .975 2 .244 5 .475 1 .00 0 .00
ATOM 1016 2HE PHE 179 -10 .282 1 .283 5 .862 1 .00 0 .00
ATOM 1017 CD2 PHE 179 -9 .784 2 .413 4 .118 1 .00 0 .00
ATOM 1018 2HD PHE 179 -9 .939 1 .581 3 .445 1 .00 0 .00
ATOM 1019 C PHE 179 -10 .144 4 .144 -0 .125 1 .00 0 .00
ATOM 1020 O PHE 179 -10 .852 3 .459 -0 .859 1 .00 0 .00
ATOM 1021 N ARG+ 180 -9 .082 4 .811 -0 .552 1 .00 0 .00
ATOM 1022 H ARG+ 180 -8 .549 5 .322 0 .095 1 .00 0 .00
ATOM 1023 CA ARG+ 180 -8 .665 4 .788 -1 .949 1 .00 0 .00
ATOM 1024 HA ARG+ 180 -9 .042 3, .879 -2, .398 1, .00 0 .00
ATOM 1025 CB ARG+ 180 -9 .226 5, .993 -2, .714 1, .00 0 .00
ATOM 1026 1HB ARG+ 180 -8 .842 5, .964 -3, .724 1, .00 0 .00
ATOM 1027 2HB ARG+ 180 -8 .886 6, .899 -2, .240 1, .00 0 .00
ATOM 1028 QB ARG+ 180 -8 .864 6, .431 -2, .982 1, .00 0, .00
ATOM 1029 CG ARG+ 180 -10 .741 6 .026 -2 .784 1 .00 0 .00
ATOM 1030 1HG ARG+ 180 -11 .137 6 .020 -1 .780 1 .00 0 .00
ATOM 1031 2HG ARG+ 180 -11 .084 5 .147 -3 .314 1 .00 0 .00
ATOM 1032 QG ARG+ 180 -11 .111 5 .583 -2 .547 1 .00 0 .00
ATOM 1033 CD ARG+ 180 -11 .242 7 .262 -3 .509 1, .00 0 .00
ATOM 1034 1HD ARG+ 180 -12 .097 6 .985 -4 .111 1, .00 0 .00
ATOM 1035 2HD ARG+ 180 -10 .456 7 .631 -4 .151 1 .00 0 .00
ATOM 1036 QD ARG+ 180 -11 .277 7 .308 -4 .131 1 .00 0 .00
ATOM 1037 NE ARG+ 180 -11 .636 8 .318 -2 .580 1, .00 0 .00
ATOM 1038 HE ARG+ 180 -11 .240 8 .301 -1 .677 1, .00 0 .00
ATOM 1039 CZ ARG+ 180 -12 .504 9, .282 -2, .884 1, .00 0 .00
ATOM 1040 NH1 ARG+ 180 -13 .025 9 .344 -4 .106 1, .00 0 .00
ATOM 1041 1HH1 ARG+ 180 -12 .764 8 .667 -4 .798 1, .00 0 .00
ATOM 1042 2HH1 ARG+ 180 -13 .677 10 .065 -4 .341 1, .00 0 .00
ATOM 1043 QH1 ARG+ 180 -13 .221 9 .366 -4, .570 1, .00 0 .00
ATOM 1044 NH2 ARG+ 180 -12 .842 10 .183 -1, .969 1, .00 0 .00
ATOM 1045 1HH2 ARG+ 180 -12 .444 10, .136 -1, .044 1, .00 0 .00
ATOM 1046 2HH2 ARG+ 180 -13 .492 10 .909 -2, .192 1, .00 0, .00
ATOM 1047 QH2 ARG+ 180 -12 .968 10, .522 -1, .618 1, .00 0, .00
ATOM 1048 C ARG+ 180 -7, .144 4, .794 -2. .052 1. .00 0. .00
ATOM 1049 O ARG+ 180 -6. .583 4, .470 -3. ,087 1. .00 0. .00
ATOM 1050 N GLY 181 -6, .475 5. .175 -0. ,978 1. .00 0. .00
ATOM 1051 H GLY 181 -6. .961 5. .429 -0. ,164 1. .00 0. .00
ATOM 1052 CA GLY 181 -5. .028 5. .230 -1. ,007 1. ,00 0. ,00
ATOM 1053 1HA GLY 181 -4, .707 6. .183 -0. ,610 1. ,00 0. .00
ATOM 1054 2HA GLY 181 -4. .701 5. .155 -2. ,034 1. ,00 0. .00
ATOM 1055 QA GLY 181 -4. .704 5. .669 -1. ,322 1. ,00 0. ,00
ATOM 1056 C GLY 181 -4, .374 4, .127 -0, .212 1. .00 0, .00
ATOM 1057 O GLY 181 -4 .968 3, .588 0. .721 1. .00 0, .00
ATOM 1058 N VAL 182 -3, .141 3, .805 -0, .581 1. .00 0, .00
ATOM 1059 H VAL 182 -2, .733 4, .287 -1, .320 1. .00 0. .00
ATOM 1060 CA VAL 182 -2 .368 2, .771 0. .087 1. .00 0. .00
ATOM 1061 HA VAL 182 -2 .752 2, .664 1. .093 1. ,00 0. .00
ATOM 1062 CB VAL 182 -2, .468 1, .398 -0. ,629 1. ,00 0. .00
ATOM 1063 HB VAL 182 -1, .638 1, .320 -1. ,318 1. .00 0. .00
ATOM 1064 QG1 VAL 182 -2, .324 -0, .004 0. ,612 1. ,00 0. .00
ATOM 1065 QG2 VAL 182 -4, .065 1, .233 -1. ,615 1. ,00 0. .00
ATOM 1066 CGI VAL 182 -2, .351 0, .265 0. ,374 1. ,00 0. ,00
ATOM 1067 1HG1 VAL 182 -2, .611 0, .626 1. .359 1. ,00 0. .00
ATOM 1068 2HG1 VAL 182 -1, .337 -0. .106 0. ,382 1. ,00 0. ,00
ATOM 1069 3HG1 VAL 182 -3, .024 -0, .533 0. .095 1. ,00 0. .00
ATOM 1070 CG2 VAL 182 -3, .760 1, .264 -1. .427 1. 00 0. .00
ATOM 1071 1HG2 VAL 182 -3. .961 0. ,220 -1. 613 1. 00 0. 00
ATOM 1072 2HG2 VAL 182 -3. .658 1. ,784 -2. 367 1. 00 0. 00 - 284 -
ATOM 1073 3HG2 VAL 182 .576 1 .694 -0 .864 1, .00 0, .00
ATOM 1074 QQG VAL 182 .195 0 .614 -0 .501 1, .00 0, .00
ATOM 1075 C VAL 182 0 .891 3 .173 0 .158 1. .00 0, .00
ATOM 1076 O VAL 182 0, .274 3 .480 -0 .860 1, .00 0, .00
ATOM 1077 N GLU 183 0, .340 3 .155 1 .364 1, .00 0, .00
ATOM 1078 H GLU 183 0, .899 2 .889 2, .130 1, .00 0, .00
ATOM 1079 CA GLU 183 1 .058 3 .496 1 .610 1, .00 0 .00
ATOM 1080 HA GLU 183 1 .549 3 .656 0 .658 1, .00 0, .00
ATOM 1081 CB GLU 183 1 .133 4 .776 2 .453 1 .00 0 .00
ATOM 1082 1HB GLU 183 0 .464 4 .675 3 .295 1 .00 0 .00
ATOM 1083 2HB GLU 183 0 .807 5 .608 1 .849 1 .00 0 .00
ATOM 1084 QB GLU 183 0 .635 5 .141 2 .572 1 .00 0 .00
ATOM 1085 CG GLU 183 2 .516 5 .103 2 .991 1, .00 0, .00
ATOM 1086 1HG GLU 183 3 .179 5 .296 2 .161 1, .00 0, .00
ATOM 1087 2HG GLU 183 2, .880 4 .258 3 .556 1, .00 0, .00
ATOM 1088 QG GLU 183 3, .029 4 .777 2 .858 1, .00 0, .00
ATOM 1089 CD GLU 183 2, .500 6 .318 3 .894 1, .00 0, .00
ATOM 1090 OE1 GLU 183 3, .533 7, .009 3 .974 1, .00 0, .00
ATOM 1091 OE2 GLU 183 1 .445 6 .590 4 .502 1 .00 0 .00
ATOM 1092 C GLU 183 1 .717 2 .329 2 .339 1, .00 0, .00
ATOM 1093 O GLU 183 1 .623 2 .212 3 .555 1, .00 0, .00
ATOM 1094 N PHE 184 2 .332 1 .431 1 .594 1 .00 0 .00
ATOM 1095 H PHE 184 2 .344 1 .542 0 .627 1 .00 0 .00
ATOM 1096 CA PHE 184 2 .940 0 .248 2 .191 1, .00 0, .00
ATOM 1097 HA PHE 184 2 .771 0 .307 3 .254 1, .00 0, .00
ATOM 1098 CB PHE 184 2 .281 -1 .032 1 .665 1, .00 0, .00
ATOM 1099 1HB PHE 184 1, .353 -1 .199 2 .193 1, .00 0, .00
ATOM 1100 2HB PHE 184 2, .943 -1 .863 1 .863 1, .00 0, .00
ATOM 1101 QB PHE 184 2, .148 -1 .531 2 .028 1, .00 0, .00
ATOM 1102 QD PHE 184 1 .951 -1 .036 0 .011 1, .00 0, .00
ATOM 1103 QE PHE 184 1 .450 -1 .107 -2 .394 1, .00 0, .00
ATOM 1104 QR PHE 184 1 .599 -1 .089 -1 .672 1, .00 0, .00
ATOM 1105 CG PHE 184 1 .986 -1 .035 0 .181 1, .00 0. .00
ATOM 1106 CD1 PHE 184 2, .638 -1 .925 -0 .656 1, .00 0, .00
ATOM 1107 1HD PHE 184 3, .375 -2 .596 -0 .241 1, .00 0, .00
ATOM 1108 CE1 PHE 184 2 .356 -1 .969 -2 .006 1, .00 0, .00
ATOM 1109 IHE PHE 184 2 .874 -2 .671 -2 .643 1, .00 0. .00
ATOM 1110 CZ PHE 184 1 .419 -1 .115 -2 .542 1, .00 0, .00
ATOM 1111 HZ PHE 184 1 .192 -1 .157 -3 .595 1, .00 0, .00
ATOM 1112 CE2 PHE 184 0 .763 -0 .216 -1 .727 1. .00 0, .00
ATOM 1113 2HE PHE 184 0, .027 0, .457 -2, .144 1. .00 0. .00
ATOM 1114 CD2 PHE 184 1 .042 -0 .181 -0 .373 1, .00 0, .00
ATOM 1115 2HD PHE 184 0 .528 0 .524 0 .264 1, .00 0, .00
ATOM 1116 C PHE 184 4 .434 0 .158 1 .948 1, .00 0, .00
ATOM 1117 O PHE 184 4 .923 0 .463 0 .868 1, .00 0. .00
ATOM 1118 N VAL 185 5 .146 -0 .301 2 .963 1, .00 0, .00
ATOM 1119 H VAL 185 4, .687 -0 .547 3, .794 1. .00 0. .00
ATOM 1120 CA VAL 185 6, .582 -0, .474 2, .879 1. .00 0. .00
ATOM 1121 HA VAL 185 6 .913 -0 .066 1 .934 1, .00 0, .00
ATOM 1122 CB VAL 185 7 .303 0 .279 4 .022 1. .00 0, .00
ATOM 1123 HB VAL 185 7 .424 -0 .398 4 .861 1, .00 0. .00
ATOM 1124 QG1 VAL 185 9 .002 0 .856 3, .478 1. .00 0. .00
ATOM 1125 QG2 VAL 185 6, .286 1, .754 4, .601 1. .00 0, .00
ATOM 1126 CGI VAL 185 8 .678 0 .744 3 .581 1, .00 0, .00
ATOM 1127 1HG1 VAL 185 8 .899 0 .339 2 .605 1, .00 0, .00
ATOM 1128 2HG1 VAL 185 9 .416 0 .404 4 .292 1, .00 0, .00
ATOM 1129 3HG1 VAL 185 8 .693 1 .824 3, .536 1. .00 0. .00
ATOM 1130 CG2 VAL 185 6 .482 1, .472 4, .489 1. .00 0. .00
ATOM 1131 1HG2 VAL 185 6, .970 2, .387 4, .189 1. .00 0. ,00
ATOM 1132 2HG2 VAL 185 6, .393 1, .448 5, .566 1. ,00 0. .00
ATOM 1133 3HG2 VAL 185 5, .497 1. .427 4. .047 1. .00 0. ,00
ATOM 1134 QQG VAL 185 7, .644 1 .305 4 .039 1. .00 0, .00
ATOM 1135 C VAL 185 6 .924 -1, .966 2, .920 1. .00 0, .00
ATOM 1136 O VAL 185 6, .828 -2, .610 3, .962 1. .00 0. .00
ATOM 1137 N CYS 186 7 .301 -2 .518 1 .772 1, .00 0, .00
ATOM 1138 H CYS 186 7 .346 -1 .959 0 .964 1, .00 0. .00
ATOM 1139 CA CYS 186 7 .640 -3 .935 1, .681 1, .00 0, .00
ATOM 1140 HA CYS 186 7 .423 -4 .384 2, .641 1. .00 0. .00
ATOM 1141 CB CYS 186 6, .785 -4, .631 0, .608 1. .00 0. .00
ATOM 1142 1HB CYS 186 5, .748 -4, .584 0. .907 1. ,00 0. .00
ATOM 1143 2HB CYS 186 7, .083 -5, .666 0, .545 1. .00 0. ,00
ATOM 1144 QB CYS 186 6, .415 -5, .125 0. .726 1. ,00 0. ,00 - 285 -
ATOM 1145 SG CYS 186 6 .910 -3 .927 -1 .068 1 .00 0 .00
ATOM 1146 C CYS 186 9 .127 -4 .116 1 .391 1 .00 0 .00
ATOM 1147 O CYS 186 9 .667 -3 .483 0 .497 1 .00 0 .00
ATOM 1148 N CYS 187 9 .794 -4 .974 2, .152 1 .00 0 .00
ATOM 1149 H CYS 187 9 .320 -5 .461 2, .860 1 .00 0 .00
ATOM 1150 CA CYS 187 11 .231 -5 .193 1 .961 1 .00 0 .00
ATOM 1151 HA CYS 187 11 .644 -4 .290 1 .543 1 .00 0 .00
ATOM 1152 CB CYS 187 11 .924 -5 .479 3 .297 1 .00 0 .00
ATOM 1153 1HB CYS 187 12 .739 -6 .169 3, .129 1 .00 0 .00
ATOM 1154 2HB CYS 187 11 .214 -5 .932 3 .973 1 .00 0 .00
ATOM 1155 QB CYS 187 11 .976 -6 .051 3 .551 1 .00 0 .00
ATOM 1156 SG CYS 187 12 .605 -4 .005 4 .122 1 .00 0 .00
ATOM 1157 C CYS 187 11 .510 -6 .339 1 .009 1 .00 0 .00
ATOM 1158 O CYS 187 10 .788 -7 .330 0 .996 1 .00 0 .00
ATOM 1159 N PRO 188 12 .572 -6 .204 0 .194 1 .00 0 .00
ATOM 1160 CD PRO 188 13, .473 -5 .033 0, .151 1, .00 0, .00
ATOM 1161 CA PRO 188 12, .960 -7, .232 -0, .772 1, .00 0, .00
ATOM 1162 HA PRO 188 12 .125 -7 .527 -1 .392 1 .00 0 .00
ATOM 1163 CB PRO 188 14, .023 -6 .544 -1, .632 1 .00 0 .00
ATOM 1164 1HB PRO 188 13 .564 -6 .142 -2, .522 1, .00 0 .00
ATOM 1165 2HB PRO 188 14, .782 -7 .263 -1, .907 1, .00 0, .00
ATOM 1166 QB PRO 188 14 .173 -6 .703 -2 .215 1 .00 0 .00
ATOM 1167 CG PRO 188 14 .582 -5 .463 -0 .771 1 .00 0 .00
ATOM 1168 1HG PRO 188 14 .901 -4 .633 -1, .386 1, .00 0 .00
ATOM 1169 2HG PRO 188 15, .415 -5, .846 -0, .200 1, .00 0, .00
ATOM 1170 QG PRO 188 15, .158 -5, .240 -0, .793 1, .00 0, .00
ATOM 1171 1HD PRO 188 12, .963 -4. .169 -0, .251 1, .00 0, .00
ATOM 1172 2HD PRO 188 13 .865 -4 .814 1 .133 1 .00 0 .00
ATOM 1173 QD PRO 188 13, .414 -4 .492 0, .441 1, .00 0, .00
ATOM 1174 C PRO 188 13, .538 -8, .469 -0, .092 1, .00 0, .00
ATOM 1175 O PRO 188 14, .542 -8, .386 0, .625 1. .00 0, .00
ATOM 1176 N LEU 189 12 .897 -9 .604 -0 .326 1 .00 0 .00
ATOM 1177 H LEU 189 12, .107 -9, .593 -0, .909 1, .00 0 .00
ATOM 1178 CA LEU 189 13. .327 -10. .869 0. .242 1. .00 0. .00
ATOM 1179 HA LEU 189 14. .286 -10. .715 0. .714 1. .00 0. .00
ATOM 1180 CB LEU 189 12, .321 -11, .355 1, .289 1, .00 0, .00
ATOM 1181 1HB LEU 189 11, .583 -11. .963 0, .788 1. .00 0, .00
ATOM 1182 2HB LEU 189 11. .827 -10, .494 1. .713 1. .00 0. .00
ATOM 1183 QB LEU 189 11. .705 -11. .229 1. .250 1. .00 0. .00
ATOM 1184 CG LEU 189 12, .922 -12, .180 2, .429 1, .00 0, .00
ATOM 1185 HG LEU 189 13, .650 -12, .866 2, .020 1, .00 0, .00
ATOM 1186 QD1 LEU 189 13, .801 -11. .064 3, .659 1. .00 0. .00
ATOM 1187 QD2 LEU 189 11. .588 -13. .185 3. .290 1. .00 0. .00
ATOM 1188 CD1 LEU 189 13, .633 -11, .277 3, .424 1. .00 0, .00
ATOM 1189 1HD1 LEU 189 14, .044 -10, .425 2, .904 1, .00 0, .00
ATOM 1190 2HD1 LEU 189 14, .431 -11, .827 3, .902 1. .00 0, .00
ATOM 1191 3HD1 LEU 189 12, .930 -10 , ,940 4, .170 1. .00 0. .00
ATOM 1192 CD2 LEU 189 11. .844 -12. .993 3, .126 1. ,00 0. .00
ATOM 1193 1HD2 LEU 189 12. .221 -13. .357 4. .069 1. ,00 0. ,00
ATOM 1194 2HD2 LEU 189 11. .565 -13, .829 2, .502 1. .00 0, .00
ATOM 1195 3HD2 LEU 189 10. .979 -12. .369 3. ,300 1. ,00 0. ,00
ATOM 1196 QQD LEU 189 12. ,695 -12. ,125 3. ,474 1. 00 0. 00
ATOM 1197 C LEU 189 13. ,477 -11. 911 -0. ,862 1. 00 0. 00
ATOM 1198 OT1 LEU 189 13. .988 -13. ,013 -0. .575 1. .00 0. .00
ATOM 1199 OT2 LEU 189 13. ,074 -11. ,616 -2. ,008 1. ,00 0. ,00
TER
ENDMDL
MODEL 15
ATOM 1 N SER 124 13 .187 12 .257 6 .390 1 .00 0 .00
ATOM 2 CA SER 124 12 .168 11 .176 6 .444 1 .00 0 .00
ATOM 3 HA SER 124 12 .664 10 .221 6 .369 1, .00 0 .00
ATOM 4 CB SER 124 11 .454 11 .277 7 .789 1 .00 0 .00
ATOM 5 1HB SER 124 11 .371 10 .294 8 .229 1 .00 0 .00
ATOM 6 2HB SER 124 10 .465 11 .692 7 .641 1 .00 0 .00
ATOM 7 QB SER 124 10 .918 10 .993 7 .935 1, .00 0 .00
ATOM 8 OG SER 124 12 .180 12 .119 8 .676 1 .00 0 .00
ATOM 9 HG SER 124 11 .573 12 .516 9 .314 1 .00 0 .00
ATOM 10 C SER 124 11 .178 11 .321 5 .303 1 .00 0 .00
ATOM 11 O SER 124 10, .618 10. .340 4, .817 1. .00 0. .00
ATOM 12 1HT SER 124 12, .910 12. .978 5, .689 1. .00 0. .00
ATOM 13 2HT SER 124 14, .111 11. .868 6, .124 1. .00 0. ,00
ATOM 14 3HT SER 124 13 .266 12, .712 7 .323 1, .00 0. .00 286
ATOM 15 N ASP 125 10. ,984 12. ,561 4. ,891 1. 00 0. ,00
ATOM 16 H ASP 125 11. .473 13. ,289 5. ,332 1. 00 0. ,00
ATOM 17 CA ASP 125 10. ,083 12. ,910 3. .809 1. 00 0. .00
ATOM 18 HA ASP 125 9. ,104 12. ,527 4. .047 1. 00 0. .00
ATOM 19 CB ASP 125 10. ,013 14. .435 3, ,685 1. ,00 0. .00
ATOM 20 1HB ASP 125 8. ,978 14. .739 3. .623 1. ,00 0, .00
ATOM 21 2HB ASP 125 10. .528 14. .741 2, ,787 1. ,00 0, .00
ATOM 22 QB ASP 125 9. ,753 14. .740 3, .205 1. .00 0. .00
ATOM 23 CG ASP 125 10. .651 15. .142 4, .869 1. ,00 0, .00
ATOM 24 OD1 ASP 125 9. .919 15. .806 5, .624 1. ,00 0, .00
ATOM 25 OD2 ASP 125 11, .884 15. .002 5, .060 1. ,00 0, .00
ATOM 26 C ASP 125 10. .558 12. .301 2, .497 1. ,00 0, .00
ATOM 27 O ASP 125 11. ,709 12. ,483 2, .096 1. 00 0. .00
ATOM 28 N ALA 126 9. ,667 11. ,579 1, ,838 1. 00 0. .00
ATOM 29 H ALA 126 8. .767 11. ,475 2. .215 1. 00 0. .00
ATOM 30 CA ALA 126 9, .975 10. .937 0 .569 1. ,00 0, .00
ATOM 31 HA ALA 126 10, .594 11, .609 -0 .008 1. .00 0, .00
ATOM 32 QB ALA 126 10, .923 9. .332 0 .845 1, .00 0 .00
ATOM 33 CB ALA 126 10, .743 9, .639 0 .792 1. .00 0 .00
ATOM 34 1HB ALA 126 11, .050 9, .577 1 .826 1, .00 0 .00
ATOM 35 2HB ALA 126 11, .615 9, .622 0 .155 1, .00 0 .00
ATOM 36 3HB ALA 126 10 .106 8, .799 0 .555 1, .00 0 .00
ATOM 37 C ALA 126 8 .687 10, .667 -0 .188 1, .00 0 .00
ATOM 38 O ALA 126 7 .602 10, .983 0 .299 1. .00 0 .00
ATOM 39 N LEU 127 8 .799 10, .084 -1 .372 1, .00 0 .00
ATOM 40 H LEU 127 9 .684 9 .852 -1 .713 1, .00 0 .00
ATOM 41 CA LEU 127 7 .621 9 .787 -2 .171 1, .00 0 .00
ATOM 42 HA LEU 127 6, .785 9. .686 -1, .497 1. .00 0, .00
ATOM 43 CB LEU 127 7, .340 10. .946 -3 .141 1. .00 0, .00
ATOM 44 1HB LEU 127 7, .867 10, .746 -4 .062 1. .00 0, .00
ATOM 45 2HB LEU 127 7, .743 11, .850 -2 .709 1. .00 0, .00
ATOM 46 QB LEU 127 7, .805 11, .298 -3 .386 1. .00 0 .00
ATOM 47 CG LEU 127 5, .862 11, .200 -3 .484 1. .00 0 .00
ATOM 48 HG LEU 127 5, .686 12, .266 -3 .497 1, .00 0 .00
ATOM 49 QD1 LEU 127 5 .448 10, .532 -5 .192 1. .00 0 .00
ATOM 50 QD2 LEU 127 4 .722 10, .443 -2 .189 1. .00 0 .00
ATOM 51 CD1 LEU 127 5 .528 10, .661 -4 .865 1. .00 0 .00
ATOM 52 1HD1 LEU 127 5, .865 9, .637 -4 .942 1, .00 0 .00
ATOM 53 2HD1 LEU 127 6 .021 11 .260 -5 .615 1, .00 0 .00
ATOM 54 3HD1 LEU 127 4 .459 10 .700 -5 .017 1, .00 0 .00
ATOM 55 CD2 LEU 127 4 .941 10 .588 -2 .436 1. .00 0 .00
ATOM 56 1HD2 LEU 127 5 .318 10 .812 -1 .449 1, .00 0 .00
ATOM 57 2HD2 LEU 127 4 .902 9 .517 -2 .573 1, .00 0 .00
ATOM 58 3HD2 LEU 127 3, .948 11, .001 -2 .545 1. .00 0, .00
ATOM 59 QQD LEU 127 5 .085 10, .487 -3 .691 1. .00 0, .00
ATOM 60 C LEU 127 7 .790 8, .479 -2 .943 1, .00 0 .00
ATOM 61 O LEU 127 6 .896 8, .067 -3 .680 1. .00 0 .00
ATOM 62 N LEU 128 8 .932 7, .819 -2 .782 1, .00 0 .00
ATOM 63 H LEU 128 9 .621 8 .170 -2 .187 1, .00 0 .00
ATOM 64 CA LEU 128 9 .162 6 .572 -3 .491 1, .00 0 .00
ATOM 65 HA LEU 128 8 .196 6 .171 -3 .755 1, .00 0 .00
ATOM 66 CB LEU 128 9 .951 6 .841 -4 .777 1, .00 0 .00
ATOM 67 1HB LEU 128 11 .002 6 .732 -4 .554 1, .00 0 .00
ATOM 68 2HB LEU 128 9 .769 7 .863 -5 .077 1, .00 0 .00
ATOM 69 QB LEU 128 10 .385 7 .297 -4 .816 1, .00 0 .00
ATOM 70 CG LEU 128 9 .613 5 .924 -5 .962 1, .00 0 .00
ATOM 71 HG LEU 128 8 .831 5 .231 -5 .668 1, .00 0 .00
ATOM 72 QD1 LEU 128 8 .965 6 .938 -7 .406 1, .00 0 .00
ATOM 73 QD2 LEU 128 11 .121 4, .933 -6, .495 1. .00 0 .00
ATOM 74 GDI LEU 128 9 .089 6, .744 -7 .128 1. .00 0 .00
ATOM 75 1HD1 LEU 128 8 .176 7, .243 -6 .838 1. .00 0 .00
ATOM 76 2HD1 LEU 128 8 .893 6 .092 -7 .967 1, .00 0 .00
ATOM 77 3HD1 LEU 128 9 .827 7 .480 -7, .411 1, .00 0 .00
ATOM 78 CD2 LEU 128 10 .832 5 .123 -6 .392 1, .00 0 .00
ATOM 79 1HD2 LEU 128 11 .260 5 .569 -7 .278 1, .00 0, .00
ATOM 80 2HD2 LEU 128 10 .538 4 .107 -6 .608 1, .00 0 .00
ATOM 81 3HD2 LEU 128 11 .565 5 .125 -5 .598 1, .00 0 .00
ATOM 82 QQD LEU 128 10 .043 5 .936 -6 .950 1, .00 0 .00
ATOM 83 C LEU 128 9 .886 5 .553 -2 .608 1 .00 0 .00
ATOM 84 O LEU 128 9 .923 5 .686 -1 .384 1 .00 0 .00
ATOM 85 N VAL 129 10 .436 4 .533 -3 .251 1 .00 0 .00
ATOM 86 H VAL 129 10 .347 4 .499 -4 .225 1 .00 0 .00 o
o
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+ + + + + + + + + + + + + + + + + + + + + + + + +
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- 289 -
ATOM 231 CG LEU 136 5, .312 0 .008 -3 .682 1, .00 0 .00
ATOM 232 HG LEU 136 6 .178 0, .599 -3 .943 1, .00 0 .00
ATOM 233 QD1 LEU 136 5 .830 -1 .246 -2 .383 1, .00 0 .00
ATOM 234 QD2 LEU 136 4 .708 -0 .866 -5 .233 1 .00 0 .00
ATOM 235 GDI LEU 136 5 .732 -1 .006 -2 .633 1 .00 0 .00
ATOM 236 1HD1 LEU 136 5 .296 -1 .967 -2 .865 1, .00 0 .00
ATOM 237 2HD1 LEU 136 5 .386 -0 .681 -1 .662 1, .00 0 .00
ATOM 238 3HD1 LEU 136 6 .808 -1 .089 -2 .621 1, .00 0 .00
ATOM 239 CD2 LEU 136 4 .824 -0 .699 -4 .936 1, .00 0 .00
ATOM 240 1HD2 LEU 136 5 .635 -0 .778 -5 .644 1, .00 0 .00
ATOM 241 2HD2 LEU 136 4 .016 -0 .132 -5 .376 1, .00 0 .00
ATOM 242 3HD2 LEU 136 4 .473 -1 .686 -4 .679 1, .00 0 .00
ATOM 243 QQD LEU 136 5 .269 -1 .056 -3 .808 1, .00 0 .00
ATOM 244 C LEU 136 3 .544 3 .097 -2 .080 1, .00 0 .00
ATOM 245 O LEU 136 2 .474 2 .563 -1 .798 1, .00 0 .00
ATOM 246 N HIS+ 137 3 .736 4 .408 -2 .014 1, .00 0 .00
ATOM 247 H HIS+ 137 4 .605 4 .779 -2 .273 1, .00 0 .00
ATOM 248 CA HIS+ 137 2 .671 5 .308 -1 .599 1, .00 0 .00
ATOM 249 HA HIS+ 137 1 .979 4 .750 -0 .980 1, .00 0 .00
ATOM 250 CB HIS+ 137 3 .231 6 .509 -0 .806 1, .00 0 .00
ATOM 251 1HB HIS+ 137 4 .078 6 .916 -1, .340 1, .00 0 .00
ATOM 252 2HB HIS+ 137 3 .560 6 .166 0, .164 1. .00 0 .00
ATOM 253 QB HIS+ 137 3 .819 6, .541 -0, .588 1, .00 0 .00
ATOM 254 CG HIS+ 137 2 .244 7, .631 -0, .585 1. .00 0 .00
ATOM 255 D1 HIS+ 137 1, .632 7, .879 0, .626 1. .00 0 .00
ATOM 256 CD2 HIS+ 137 1, .761 8, .568 -1, .440 1. .00 0 .00
ATOM 257 1HD HIS+ 137 1, .779 7, .376 1, .470 1. .00 0, .00
ATOM 258 CE1 HIS+ 137 0, .817 8, .913 0. .502 1. .00 0, .00
ATOM 259 NE2 HIS+ 137 0 .874 9 .351 -0 .742 1, .00 0 .00
ATOM 260 2HD HIS+ 137 2 .024 8 .677 -2 .484 1, .00 0 .00
ATOM 261 IHE HIS+ 137 0 .204 9 .329 1 .289 1, .00 0 .00
ATOM 262 2HE HIS+ 137 0 .203 9 .953 -1 .160 1, .00 0 .00
ATOM 263 C HIS+ 137 1 .959 5 .788 -2 .852 1, .00 0 .00
ATOM 264 O HIS+ 137 2 .522 6, .548 -3, .641 1, .00 0, .00
ATOM 265 N GLN 138 0 .741 5, .317 -3, .062 1. .00 0 .00
ATOM 266 H GLN 138 0 .345 4, .690 -2, .415 1. .00 0 .00
ATOM 267 CA GLN 138 -0 .009 5, .693 -4, .250 1. .00 0 .00
ATOM 268 HA GLN 138 0 .416 6, .609 -4, .632 1. .00 0, .00
ATOM 269 CB GLN 138 0 .104 4, .603 -5, .325 1. .00 0 .00
ATOM 270 1HB GLN 138 0, .027 5, .068 -6, .297 1. .00 0, .00
ATOM 271 2HB GLN 138 -0 .715 3, .911 -5, .202 1. .00 0, .00
ATOM 272 QB GLN 138 -0 .344 4, .489 -5, .750 1. .00 0, .00
ATOM 273 CG GLN 138 1, .407 3, .812 -5, .278 1. .00 0, .00
ATOM 274 1HG GLN 138 1 .174 2, .765 -5. .152 1. ,00 0, .00
ATOM 275 2HG GLN 138 1 .987 4, .153 -4, .433 1. .00 0, .00
ATOM 276 QG GLN 138 1 .580 3, .459 -4. .793 1. .00 0, .00
ATOM 277 CD GLN 138 2 .240 3, .977 -6, .533 1. .00 0, .00
ATOM 278 OE1 GLN 138 1 .766 3, .706 -7. .636 1. ,00 0, .00
ATOM 279 NE2 GLN 138 3, .484 4, .423 -6. .373 1. ,00 0, .00
ATOM 280 1HE2 GLN 138 3 .796 4, .621 -5, .463 1. ,00 0, .00
ATOM 281 2HE2 GLN 138 4 .044 4, .535 -7. .171 1. ,00 0, .00
ATOM 282 QE2 GLN 138 3, .920 4, .578 -6. .317 1. ,00 0. .00
ATOM 283 C GLN 138 -1, .476 5, .930 -3. .923 1. ,00 0, .00
ATOM 284 O GLN 138 -2, .119 5, .108 -3. .266 1. ,00 0. .00
ATOM 285 N GLU 139 -2, .001 7, .046 -4. .401 1. 00 0. .00
ATOM 286 H GLU 139 -1 .439 7, .652 -4, .927 1. .00 0, .00
ATOM 287 CA GLU 139 -3 .395 7, .394 -4, .181 1. ,00 0, .00
ATOM 288 HA GLU 139 -3 .729 6, .883 -3. .289 1. ,00 0, .00
ATOM 289 CB GLU 139 -3 .539 8, .907 -3, .981 1. .00 0, .00
ATOM 290 1HB GLU 139 -4 .053 9, .090 -3, .049 1. .00 0, .00
ATOM 291 2HB GLU 139 -4 .128 9, .310 -4. .792 1. ,00 0, .00
ATOM 292 QB GLU 139 -4 .091 9, .200 -3, .921 1. ,00 0, .00
ATOM 293 CG GLU 139 -2 .210 9, .652 -3, .944 1. ,00 0, .00
ATOM 294 1HG GLU 139 -2 .142 10, .286 -4. .816 1. ,00 0, .00
ATOM 295 2HG GLU 139 -1, .406 8, .933 -3. .958 1. 00 0. .00
ATOM 296 QG GLU 139 -1, .774 9, .609 -4. .387 1. 00 0. .00
ATOM 297 CD GLU 139 -2, .061 10, .513 -2. .709 1. ,00 0. .00
ATOM 298 OE1 GLU 139 -0, .928 10. .625 -2. .198 1. 00 0. .00
ATOM 299 OE2 GLU 139 -3, .077 11. .067 -2. .249 1. 00 0. .00
ATOM 300 C GLU 139 -4, .242 6. .934 -5. .366 1. 00 0. .00
ATOM 301 O GLU 139 -4, .234 7. .556 -6. .427 1. 00 0. .00
ATOM 302 N ARG+ 140 -4, .968 5. .841 -5. .180 1. 00 0. .00 290
ATOM 303 H ARG+ 140 -4 .936 5 .387 -4 .310 1 .00 0 .00
ATOM 304 CA ARG+ 140 -5 .820 5 .297 -6 .230 1 .00 0 .00
ATOM 305 HA ARG+ 140 -5 .460 5 .663 -7 .180 1 .00 0 .00
ATOM 306 CB ARG+ 140 -5 .762 3 .766 -6 .223 1 .00 0 .00
ATOM 307 1HB ARG+ 140 -6 .490 3 .397 -5 .513 1 .00 0 .00
ATOM 308 2HB ARG+ 140 -4 .777 3 .454 -5 .910 1 .00 0 .00
ATOM 309 QB ARG+ 140 -5 .634 3 .425 -5 .712 1 .00 0 .00
ATOM 310 CG ARG+ 140 -6 .055 3 .137 -7 .574 1 .00 0 .00
ATOM 311 1HG ARG+ 140 -6 .661 3 .823 -8 .155 1 .00 0 .00
ATOM 312 2HG ARG+ 140 -6 .598 2 .216 -7 .423 1 .00 0 .00
ATOM 313 QG ARG+ 140 -6 .630 3 .019 -7 .789 1 .00 0 .00
ATOM 314 CD ARG+ 140 -4 .777 2 .841 -8 .338 1 .00 0 .00
ATOM 315 1HD ARG+ 140 -4 .197 3, .749 -8 .402 1 .00 0 .00
ATOM 316 2HD ARG+ 140 -5 .039 2 .511 -9 .334 1 .00 0 .00
ATOM 317 QD ARG+ 140 -4 .618 3 .130 -8 .868 1 .00 0 .00
ATOM 318 NE ARG+ 140 -3 .976 1 .803 -7 .685 1 .00 0 .00
ATOM 319 HE ARG+ 140 -4 .459 1 .018 -7 .334 1 .00 0 .00
ATOM 320 CZ ARG+ 140 -2 .648 1 .865 -7 .556 1 .00 0 .00
ATOM 321 NH1 ARG+ 140 -1 .986 2 .930 -8 .000 1 .00 0 .00
ATOM 322 1HH1 ARG+ 140 -2 .485 3 .686 -8 .430 1 .00 0 .00
ATOM 323 2HH1 ARG+ 140 -0 .990 2 .984 -7 .906 1 .00 0 .00
ATOM 324 QH1 ARG+ 140 -1 .738 3 .335 -8 .168 1 .00 0 .00
ATOM 325 NH2 ARG+ 140 -1 .986 0 .868 -6 .976 1 .00 0 .00
ATOM 326 1HH2 ARG+ 140 -2 .481 0 .067 -6 .634 1 .00 0 .00
ATOM 327 2HH2 ARG+ 140 -0 .989 0 .912 -6 .883 1 .00 0 .00
ATOM 328 QH2 ARG+ 140 -1 .735 0 .489 -6 .759 1 .00 0 .00
ATOM 329 C ARG+ 140 -7 .257 5 .759 -6 .032 1 .00 0 .00
ATOM 330 O ARG+ 140 -8 .072 5 .037 -5 .460 1, .00 0 .00
ATOM 331 N MET 141 -7 .564 6 .962 -6 .505 1 .00 0 .00
ATOM 332 H MET 141 -6 .869 7 .487 -6 .955 1 .00 0 .00
ATOM 333 CA MET 141 -8 .910 7 .525 -6, .374 1 .00 0 .00
ATOM 334 HA MET 141 -9 .242 7 .347 -5, .363 1 .00 0 .00
ATOM 335 CB MET 141 -8 .869 9, .036 -6, .626 1 .00 0 .00
ATOM 336 1HB MET 141 -8 .959 9 .211 -7, .689 1 .00 0 .00
ATOM 337 2HB MET 141 -7 .920 9 .422 -6, .286 1 .00 0 .00
ATOM 338 QB MET 141 -8, .440 9, .316 -6. .988 1, .00 0, .00
ATOM 339 CG MET 141 -9, .976 9, .803 -5. .923 1, .00 0, .00
ATOM 340 1HG MET 141 -10, .223 9, .289 -5. .007 1. .00 0, .00
ATOM 341 2HG MET 141 -10, .843 9, .825 -6. .568 1. .00 0, .00
ATOM 342 QG MET 141 -10, .533 9, .557 -5. .788 1, .00 0, .00
ATOM 343 SD MET 141 -9, .511 11. .499 -5. .527 1. .00 0, .00
ATOM 344 QE MET 141 -9, .871 12, .473 -7. .413 1, .00 0, .00
ATOM 345 CE MET 141 -9, .811 12, .310 -7. .096 1. .00 0, .00
ATOM 346 IHE MET 141 -10, .871 12, .470 -7. .223 1. .00 0, .00
ATOM 347 2HE MET 141 -9, .442 11, .689 -7. .900 1, .00 0, .00
ATOM 348 3HE MET 141 -9, .299 13, .261 -7, .114 1. .00 0, .00
ATOM 349 C MET 141 -9, .898 6, .862 -7. .339 1, .00 0, .00
ATOM 350 O MET 141 -10, .833 7, .503 -7. .824 1. .00 0, .00
ATOM 351 N ASP 142 -9, .681 5, .584 -7. .609 1. .00 0. .00
ATOM 352 H ASP 142 -8. .919 5. ,136 -7. ,192 1. ,00 0. .00
ATOM 353 CA ASP 142 -10. ,524 4 , ,825 -8. ,509 1. ,00 0. ,00
ATOM 354 HA ASP 142 -11. ,202 5. ,509 -8. .995 1. ,00 0. ,00
ATOM 355 CB ASP 142 -9. .660 4. .136 -9. ,569 1. ,00 0. .00
ATOM 356 1HB ASP 142 -10. ,285 3. ,858 -10. ,395 1. 00 0. .00
ATOM 357 2HB ASP 142 -9. .220 3. ,248 -9. ,144 1. 00 0. ,00
ATOM 358 QB ASP 142 -9. ,753 3. .553 -9. ,770 1. 00 0. ,00
ATOM 359 CG ASP 142 -8. ,544 5. ,019 -10. ,089 1. 00 0. ,00
ATOM 360 OD1 ASP 142 -8. .735 5. ,657 -11. ,142 1. 00 0. ,00
ATOM 361 OD2 ASP 142 -7. ,474 5. ,067 -9. ,444 1. 00 0. ,00
ATOM 362 C ASP 142 -11. ,323 3. .774 -7. ,752 1. 00 0. ,00
ATOM 363 O ASP 142 -12. ,512 3. ,576 -8. ,003 1. 00 0. ,00
ATOM 364 N VAL 143 -10. 658 3. 084 -6. 835 1. 00 0. 00
ATOM 365 H VAL 143 -9. 709 3. 275 -6. 687 1. 00 0. 00
ATOM 366 CA VAL 143 -11. 304 2. 034 -6. 059 1. 00 0. 00
ATOM 367 HA VAL 143 -12. 260 1. 830 -6. 519 1. 00 0. 00
ATOM 368 CB VAL 143 -10. 469 0. 734 -6. 080 1. 00 0. 00
ATOM 369 HB VAL 143 -9. 821 0. 735 -5. 215 1. 00 0. 00
ATOM 370 QG1 VAL 143 -11. 576 -0. 783 -5. 979 1. 00 0. 00
ATOM 371 QG2 VAL 143 -9. ,393 0. 646 -7. 620 1. 00 0. 00
ATOM 372 CGI VAL 143 -11. .366 -0. 491 -5. ,997 1. 00 0. 00
ATOM 373 1HG1 VAL 143 -12. ,235 -0. 346 -6. 621 1. 00 0. 00
ATOM 374 2HG1 VAL 143 -11. ,675 -0. 644 -4. 974 1. 00 0. 00 - 291
ATOM 375 3HG1 VAL 143 10 817 -1 357 -6 340 1 00 0 00
ATOM 376 CG2 VAL 143 -9 598 0 663 -7 325 1 00 0 00
ATOM 377 1HG2 VAL 143 -9 824 1 499 -7 971 1 00 0 00
ATOM 378 2HG2 VAL 143 -9 796 -0 260 -7 850 1 00 0 00
ATOM 379 3HG2 VAL 143 -8 557 0 699 -7 039 1 00 0 00
ATOM 380 QQG VAL 143 10 484 -0 069 -6 800 1 00 0 00
ATOM 381 C VAL 143 11 539 2 481 -4 614 1 00 0 00
ATOM 382 O VAL 143 10 838 3 349 -4 102 1 00 0 00
ATOM 383 N CYS 144 12 533 1 882 -3 964 1 00 0 00
ATOM 384 H CYS 144 13 057 1 196 -4 427 1 00 0 00
ATOM 385 CA CYS 144 12 869 2 218 -2 581 1 00 0 00
ATOM 386 HA CYS 144 12 022 2 724 -2 136 1 00 0 00
ATOM 387 CB CYS 144 14 086 3 143 -2 546 1 00 0 00
ATOM 388 1HB CYS 144 14 608 2 997 -1 612 1 00 0 00
ATOM 389 2HB CYS 144 14 744 2 887 -3 362 1 00 0 00
ATOM 390 QB CYS 144 14 676 2 942 -2 487 1 00 0 00
ATOM 391 SG CYS 144 13 691 4 914 -2 692 1 00 0 00
ATOM 392 C CYS 144 13 173 0 960 -1 784 1 00 0 00
ATOM 393 O CYS 144 14 307 0 478 -1 789 1 00 0 00
ATOM 394 N GLU 145 12 167 0 425 -1 106 1 00 0 00
ATOM 395 H GLU 145 11 283 0 846 -1 141 1 00 0 00
ATOM 396 CA GLU 145 12 347 -0 787 -0 325 1 00 0 00
ATOM 397 HA GLU 145 13 388 -1 059 -0 378 1 00 0 00
ATOM 398 CB GLU 145 11 523 -1 919 -0 929 1 00 0 00
ATOM 399 1HB GLU 145 11 264 -2 617 -0 149 1 00 0 00
ATOM 400 2HB GLU 145 10 615 -1 510 -1 347 1 00 0 00
ATOM 401 QB GLU 145 10 940 -2 064 -0 748 1 00 0 00
ATOM 402 CG GLU 145 12 266 -2 676 -2 018 1 00 0 00
ATOM 403 1HG GLU 145 11 794 -3 637 -2 162 1 00 0 00
ATOM 404 2HG GLU 145 12 217 -2 108 -2 935 1 00 0 00
ATOM 405 QG GLU 145 12 006 -2 873 -2 549 1 00 0 00
ATOM 406 CD GLU 145 13 718 -2 896 -1 660 1 00 0 00
ATOM 407 OE1 GLU 145 13 985 -3 344 -0 523 1 00 0 00
ATOM 408 OE2 GLU 145 14 592 -2 587 -2 489 1 00 0 00
ATOM 409 C GLU 145 11 973 -0 592 1 135 1 00 0 00
ATOM 410 O GLU 145 11 544 0 487 1 545 1 00 0 00
ATOM 411 N THR 146 12 153 -1 654 1 908 1 00 0 00
ATOM 412 H THR 146 12 504 -2 476 1 506 1 00 0 00
ATOM 413 CA THR 146 11 857 -1 647 3 331 1 00 0 00
ATOM 414 HA THR 146 12 260 -0 739 3 756 1 00 0 00
ATOM 415 CB THR 146 12 532 -2 855 3 986 1 00 0 00
ATOM 416 HB THR 146 11 841 -3 686 3 975 1 00 0 00
ATOM 417 QG2 THR 146 13 048 -2 562 5 764 1 00 0 00
ATOM 418 OG1 THR 146 13 689 -3 231 3 256 1 00 0 00
ATOM 419 1HG THR 146 14 440 -3 294 3 854 1 00 0 00
ATOM 420 CG2 THR 146 12 948 -2 619 5 421 1 00 0 00
ATOM 421 1HG2 THR 146 13 313 -1 606 5 531 1 00 0 00
ATOM 422 2HG2 THR 146 12 099 -2 765 6 072 1 00 0 00
ATOM 423 3HG2 THR 146 13 730 -3 313 5 691 1 00 0 00
ATOM 424 C THR 146 10 349 -1 689 3 569 1 00 0 00
ATOM 425 O THR 146 -9 575 -1 995 2 657 1 00 0 00
ATOM 426 N HIS+ 147 -9 941 -1 389 4 800 1 00 0 00
ATOM 427 H HIS+ 147 10 613 -1 157 5 480 1 00 0 00
ATOM 428 CA HIS+ 147 -8 527 -1 395 5 173 1 00 0 00
ATOM 429 HA HIS+ 147 -8 023 -0 647 4 581 1 00 0 00
ATOM 430 CB HIS+ 147 -8 374 -1 045 6 655 1 00 0 00
ATOM 431 1HB HIS+ 147 -8 208 -1 953 7 216 1 00 0 00
ATOM 432 2HB HIS+ 147 -9 284 -0 577 7 003 1 00 0 00
ATOM 433 QB HIS+ 147 -8 746 -1 265 7 109 1 00 0 00
ATOM 434 CG HIS+ 147 -7 238 -0 110 6 943 1 00 0 00
ATOM 435 ND1 HIS+ 147 -7 407 1 246 7 121 1 00 0 00
ATOM 436 CD2 HIS+ 147 -5 912 -0 345 7 094 1 00 0 00
ATOM 437 1HD HIS+ 147 -8 263 1 732 7 066 1 00 0 00
ATOM 438 CE1 HIS+ 147 -6 235 1 806 7 369 1 00 0 00
ATOM 439 NE2 HIS+ 147 -5 312 0 862 7 359 1 00 0 00
ATOM 440 2HD HIS+ 147 -5 414 -1 304 7 003 1 00 0 00
ATOM 441 IHE HIS+ 147 -6 063 2 858 7 550 1 00 0 00
ATOM 442 2HE HIS+ 147 -4 371 0 989 7 611 1 00 0 00
ATOM 443 C HIS+ 147 -7 888 -2 756 4 899 1 00 0 00
ATOM 444 O HIS+ 147 -6 707 -2 843 4 578 1 00 0 00
ATOM 445 N LEU 148 -8 676 -3 815 5 029 1 00 0 00
ATOM 446 H LEU 148 -9 612 -3 685 5 287 1 00 0 00
oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo oooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo ri ri ri ri ri ri ri ri rt rt ri ri ri ri ririririri ririririri ririririri ri ri ri rt ri ri ri ri ri ri rt rt rt rt rt rt rt co cn ro co ri Ch Ch cn ts cN CN ro in ro ts o is tn -^ 'll ri CN V0 CN in '
294
ATOM 591 QD LYS+ 155 -0 .289 -9 .949 3.142 1, .00 0 .00
ATOM 592 CE LYS+ 155 0 .641 -11 .436 2.303 1, .00 0 .00
ATOM 593 IHE LYS+ 155 -0 .092 -12 .163 2.624 1, .00 0 .00
ATOM 594 2HE LYS+ 155 1 .587 -11. .650 2.778 1, .00 0 .00
ATOM 595 QE LYS+ 155 0 .747 -11 .907 2.701 1, .00 0 .00
ATOM 596 NZ LYS+ 155 0 .807 -11 .536 0.829 1, .00 0 .00
ATOM 597 1HZ LYS+ 155 1 .677 -11 .047 0.522 1. .00 0 .00
ATOM 598 2HZ LYS+ 155 -0 .018 -11 .102 0.343 1. .00 0 .00
ATOM 599 3HZ LYS+ 155 0 .861 -12 .532 0.537 1. .00 0 .00
ATOM 600 QZ LYS+ 155 0 .840 -11 .561 0.467 1. .00 0 .00
ATOM 601 C LYS+ 155 0 .927 -8 .029 -0.872 1. .00 0 .00
ATOM 602 O LYS+ 155 2 .057 -8 .406 -1.142 1 .00 0 .00
ATOM 603 N GLU 156 -0 .148 -8 .396 -1.561 1, .00 0 .00
ATOM 604 H GLU 156 -1 .037 -8 .069 -1.289 1, .00 0 .00
ATOM 605 CA GLU 156 -0 .046 -9 .290 -2.703 1, .00 0 .00
ATOM 606 HA GLU 156 0 .413 -10 .203 -2.354 1, .00 0 .00
ATOM 607 CB GLU 156 -1 .430 -9 .627 -3.258 1, .00 0 .00
ATOM 608 1HB GLU 156 -1 .311 -10 .126 -4.210 1, .00 0 .00
ATOM 609 2KB GLU 156 -1 .977 -8 .710 -3.408 1, .00 0 .00
ATOM 610 QB GLU 156 -1 .644 -9 .418 -3.809 1, .00 0 .00
ATOM 611 CG GLU 156 -2 .252 -10 .532 -2.345 1. .00 0 .00
ATOM 612 1HG GLU 156 -2 .696 -11 .310 -2.942 1, .00 0 .00
ATOM 613 2HG GLU 156 -3 .032 -9 .943 -1.887 1, .00 0 .00
ATOM 614 QG GLU 156 -2 .864 -10 .627 -2.415 1. .00 0 .00
ATOM 615 CD GLU 156 -1 .431 -11 .174 -1.243 1, .00 0 .00
ATOM 616 OE1 GLU 156 -1 .556 -10 .741 -0.078 1. .00 0 .00
ATOM 617 OE2 GLU 156 -0 .640 -12 .091 -1.539 1, .00 0 .00
ATOM 618 C GLU 156 0 .838 -8 .697 -3.791 1, .00 0 .00
ATOM 619 O GLU 156 1. .654 -9. .402 -4.360 1. .00 0. .00
ATOM 620 N THR 157 0. .696 -7 .400 -4.061 1. .00 0, .00
ATOM 621 H THR 157 0. .031 -6 .872 -3.562 1. .00 0, .00
ATOM 622 CA THR 157 1 .526 -6 .745 -5.074 1. .00 0. .00
ATOM 623 HA THR 157 1 .330 -7 .227 -6.021 1. .00 0, .00
ATOM 624 CB THR 157 1. .173 -5 .253 -5.184 1, .00 0. .00
ATOM 625 HB THR 157 1 .371 -4 .776 -4.234 1, .00 0 .00
ATOM 626 QG2 THR 157 2 .153 -4 .344 -6.499 1, .00 0 .00
ATOM 627 OG1 THR 157 -0 .199 -5 .078 -5.492 1, .00 0 .00
ATOM 628 1HG THR 157 -0 .740 -5 .443 -4.778 1, .00 0 .00
ATOM 629 CG2 THR 157 1 .965 -4 .518 -6.245 1, .00 0 .00
ATOM 630 1HG2 THR 157 1 .304 -4 .225 -7.048 1, .00 0 .00
ATOM 631 2HG2 THR 157 2 .737, -5 .168 -6.634 1, .00 0 .00
ATOM 632 3HG2 THR 157 2 .418 -3 .639 -5.813 1. .00 0 .00
ATOM 633 C THR 157 3 .012 -6 .919 -4.735 1. .00 0 .00
ATOM 634 O THR 157 3, .855 -7. .089 -5.617 1. ,00 0. .00
ATOM 635 N CYS 158 3. .329 -6. .885 -3.448 1. ,00 0. .00
ATOM 636 H CYS 158 2. .617 -6 .746 -2.779 1. ,00 0, .00
ATOM 637 CA CYS 158 4 .707 -7, .053 -3.005 1. ,00 0. .00
ATOM 638 HA CYS 158 5 .347 -6 .600 -3.745 1. ,00 0, .00
ATOM 639 CB CYS 158 4 .908 -6 .332 -1.673 1. .00 0. .00
ATOM 640 1HB CYS 158 5 .775 -6 .729 -1.178 1. ,00 0, .00
ATOM 641 2HB CYS 158 4 .043 -6 .502 -1.052 1. ,00 0. .00
ATOM 642 QB CYS 158 4 .909 -6 .616 -1.115 1. ,00 0. .00
ATOM 643 SG CYS 158 5 .126 -4 .522 -1.845 1. .00 0, .00
ATOM 644 C CYS 158 5 .078 -8 .536 -2.891 1. .00 0. .00
ATOM 645 O CYS 158 6 .147 -8 .945 -3.344 1, .00 0. .00
ATOM 646 N SER 159 4 .196 -9 .329 -2.281 1. .00 0. .00
ATOM 647 H SER 159 3 .368 -8 .936 -1.932 1. .00 0. .00
ATOM 648 CA SER 159 4 .419 -10 .765 -2.096 1, .00 0. .00
ATOM 649 HA SER 159 5. .375 -10 .886 -1.610 1. .00 0, .00
ATOM 650 CB SER 159 3. .335 -11 .357 -1.195 1. ,00 0, .00
ATOM 651 1HB SER 159 3. .484 -12. .425 -1.116 1. ,00 0, .00
ATOM 652 2HB SER 159 2. .364 -11. .161 -1.629 1. .00 0, .00
ATOM 653 QB SER 159 2 .924 -11. .793 -1.373 1. ,00 0, .00
ATOM 654 OG SER 159 3. .383 -10. .786 0.108 1. ,00 0, .00
ATOM 655 HG SER 159 4 .302 -10 .628 0.349 1. ,00 0, .00
ATOM 656 C SER 159 4. .454 -11. .527 -3.423 1. ,00 0, .00
ATOM 657 O SER 159 5. .087 -12. .576 -3.511 1. .00 0. .00
ATOM 658 N GLU 160 3. .785 -10. .996 -4.450 1. ,00 0, .00
ATOM 659 H GLU 160 3 .297 -10. .153 -4.321 1. ,00 0, .00
ATOM 660 CA GLU 160 3. .766 -11. .630 -5.769 1. .00 0, .00
ATOM 661 HA GLU 160 3. .406 -12. .642 -5.655 1. ,00 0. .00
ATOM 662 CB GLU 160 2. .843 -10. .858 -6.724 1. ,00 0, .00 295
ATOM 663 1HB GLU 160 3. .206 -9 .843 -6 .810 1 .00 0 .00
ATOM 664 2HB GLU 160 1 .849 -10 .836 -6 .304 1 .00 0, .00
ATOM 665 QB GLU 160 2, .527 -10, .340 -6, .557 1, .00 0, .00
ATOM 666 CG GLU 160 2 .751 -11 .444 -8. .127 1 .00 0. .00
ATOM 667 1HG GLU 160 1 .711 -11 .509 -8 .410 1, .00 0, .00
ATOM 668 2HG GLU 160 3 .187 -12 .432 -8. .121 1 .00 0. .00
ATOM 669 QG GLU 160 2 .449 -11 .971 -8, .266 1, .00 0. .00
ATOM 670 CD GLU 160 3 .481 -10 .599 -9, .149 1, .00 0. .00
ATOM 671 OE1 GLU 160 4 .003 -11. .167 -10, .131 1. .00 0, .00
ATOM 672 OE2 GLU 160 3 .567 -9. .372 -8, .952 1. .00 0, .00
ATOM 673 C GLU 160 5. .182 -11. .661 -6, .325 1. .00 0, .00
ATOM 674 O GLU 160 5, .548 -12. .516 -7, .133 1, .00 0, .00
ATOM 675 N LYS+ 161 5 .982 -10. .719 -5. .862 1. .00 0. .00
ATOM 676 H LYS+ 161 5 .637 -10 .078 -5 .208 1 .00 0 .00
ATOM 677 CA LYS+ 161 7 .356 -10 .630 -6 .274 1 .00 0 .00
ATOM 678 HA LYS+ 161 7 .488 -11 .259 -7 .142 1 .00 0 .00
ATOM 679 CB LYS+ 161 7 .715 -9 .185 -6 .628 1 .00 0, .00
ATOM 680 1HB LYS+ 161 8 .147 -8 .713 -5 .758 1 .00 0. .00
ATOM 681 2HB LYS+ 161 6 .815 -8 .658 -6 .900 1 .00 0, .00
ATOM 682 QB LYS+ 161 7 .481 -8 .686 -6 .329 1 .00 0, .00
ATOM 683 CG LYS+ 161 8 .714 -9 .079 -7. .774 1. .00 0, .00
ATOM 684 1HG LYS+ 161 9 .118 -10 .062 -7. .974 1. .00 0, .00
ATOM 685 2HG LYS+ 161 9 .514 -8 .418 -7 .477 1 .00 0 .00
ATOM 686 QG LYΞ+ 161 9 .316 -9 .240 -7 .726 1 .00 0 .00
ATOM 687 CD LYS+ 161 8 .077 -8 .535 -9 .056 1 .00 0 .00
ATOM 688 1HD LYS+ 161 8 .649 -8 .887 -9 .903 1 .00 0 .00
ATOM 689 2HD LYS+ 161 8 .112 -7 .456 -9 .028 1 .00 0 .00
ATOM 690 QD LYS+ 161 8 .380 -8 .172 -9 .466 1 .00 0 .00
ATOM 691 CE LYS+ 161 6. .618 -8, .968 -9, .230 1, .00 0. .00
ATOM 692 IHE LYS+ 161 6, .213 -8, .476 -10. .103 1, .00 0. .00
ATOM 693 2HE LYS+ 161 6, .057 -8, .659 -8, .359 1, .00 0. .00
ATOM 694 QE LYS+ 161 6 .135 -8 .568 -9 .231 1, .00 0, .00
ATOM 695 NZ LYS+ 161 6 .468 -10 .443 -9 .395 1, .00 0, .00
ATOM 696 1HZ LYS+ 161 7 .209 -10 .822 -10 .010 1, .00 0, .00
ATOM 697 2HZ LYS+ 161 5 .529 -10 .660 -9 .822 1, .00 0, .00
ATOM 698 3HZ LYS+ 161 6 .514 -10. .917 -8 .469 1, .00 0, .00
ATOM 699 QZ LYS+ 161 6 .417 -10. .800 -9 .434 1, .00 0. .00
ATOM 700 C LYS+ 161 8. .232 -11, .154 -5 .146 1, .00 0. .00
ATOM 701 0 LYS+ 161 7. .909 -12, .160 -4. .522 1. .00 0. .00
ATOM 702 N SER 162 9, .333 -10, .485 -4, .884 1, .00 0. .00
ATOM 703 H SER 162 9, .554 -9, .693 -5. .407 1, .00 0. .00
ATOM 704 CA SER 162 10 .225 -10 .916 -3 .831 1. .00 0, .00
ATOM 705 HA SER 162 9 .862 -11 .862 -3 .463 1, .00 0, .00
ATOM 706 CB SER 162 11 .633 -11 .116 -4 .394 1. .00 0. .00
ATOM 707 1HB SER 162 11 .970 -12 .117 -4 .165 1. .00 0. .00
ATOM 708 2HB SER 162 12 .303 -10 .399 -3 .939 1, .00 0, .00
ATOM 709 QB SER 162 12 .136 -11 .258 -4 .052 1, .00 0. .00
ATOM 710 OG SER 162 11 .649 -10 .934 -5 .806 1, .00 0, .00
ATOM 711 HG SER 162 12 .317 -11 .508 -6 .192 1. .00 0. .00
ATOM 712 C SER 162 10 .257 -9 .919 -2 .675 1 .00 0, .00
ATOM 713 O SER 162 11 .330 -9 .524 -2 .232 1 .00 0. .00
ATOM 714 N THR 163 9 .088 -9 .504 -2 .178 1. .00 0. .00
ATOM 715 H THR 163 8 .244 -9 .838 -2 .561 1, .00 0, .00
ATOM 716 CA THR 163 9 .051 -8 .564 -1 .057 1, .00 0, .00
ATOM 717 HA THR 163 9 .965 -8 .696 -0 .492 1, .00 0. .00
ATOM 718 CB THR 163 8, .984 -7, .111 -1, .530 1. ,00 0. ,00
ATOM 719 HB THR 163 8, .856 -6. .484 -0. .652 1. ,00 0. .00
ATOM 720 QG2 THR 163 10, .520 -6, .524 -2, .428 1. ,00 0. .00
ATOM 721 OG1 THR 163 7 .886 -6 .908 -2 .400 1. .00 0. .00
ATOM 722 1HG THR 163 7. .616 -7 .758 -2 .779 1. .00 0. .00
ATOM 723 CG2 THR 163 10, .225 -6 .635 -2 .255 1. .00 0. ,00
ATOM 724 1HG2 THR 163 9, .955 -6 .283 -3 .239 1. ,00 0. .00
ATOM 725 2HG2 THR 163 10, .924 -7 .456 -2 .346 1. .00 0. ,00
ATOM 726 3HG2 THR 163 10, .683 -5. .832 -1. .697 1. .00 0. ,00
ATOM 727 C THR 163 7, .876 -8, .847 -0. .122 1. ,00 0. ,00
ATOM 728 O THR 163 6, .877 -9, .454 -0. .508 1. ,00 0. ,00
ATOM 729 N ASN 164 8. .009 -8, .393 1, .116 1. ,00 0. ,00
ATOM 730 H ASN 164 8. .839 -7, .917 1. .357 1. .00 0. .00
ATOM 731 CA ASN 164 6. .975 -8 .582 2 .138 1. .00 0. ,00
ATOM 732 HA ASN 164 6. .114 -9. .036 1 .660 1. .00 0. .00
ATOM 733 CB ASN 164 7. .488 -9, .505 3. .251 1. ,00 0. ,00
ATOM 734 1HB ASN 164 7, .292 -10. .529 2, .977 1. ,00 0. ,00 - 296
ATOM 735 2HB ASN 164 6 .968 -9 .277 4 .170 1 .00 0 .00
ATOM 736 QB ASN 164 7 .130 -9 .903 3 .573 1 .00 0 .00
ATOM 737 CG ASN 164 8 .981 -9 .354 3 .494 1 .00 0 .00
ATOM 738 OD1 ASN 164 9 .675 -10 .326 3 .761 1 .00 0 .00
ATOM 739 ND2 ASN 164 9 .475 -8 .125 3 .421 1 .00 0 .00
ATOM 740 1HD2 ASN 164 8 .853 -7 .390 3 .237 1 .00 0 .00
ATOM 741 2HD2 ASN 164 10 .440 -8 .009 3 .493 1 .00 0 .00
ATOM 742 QD2 ASN 164 9 .646 -7 .700 3 .365 1 .00 0 .00
ATOM 743 C ASN 164 6 .565 -7 .244 2 .747 1 .00 0 .00
ATOM 744 O ASN 164 7 .417 -6 .418 3 .066 1 .00 0 .00
ATOM 745 N LEU 165 5 .265 -7 .029 2 .905 1 .00 0 .00
ATOM 746 H LEU 165 4. .631 -7 .722 2 .634 1, .00 0 .00
ATOM 747 CA LEU 165 4 .755 -5 .779 3 .475 1. .00 0 .00
ATOM 748 HA LEU 165 5 .251 -4 .955 2 .983 1 .00 0 .00
ATOM 749 CB LEU 165 3 .248 -5 .659 3 .246 1 .00 0 .00
ATOM 750 1HB LEU 165 2 .769 -5 .526 4 .205 1 .00 0 .00
ATOM 751 2HB LEU 165 2 .893 -6 .579 2 .806 1. .00 0 .00
ATOM 752 QB LEU 165 2 .831 -6 .053 3 .505 1. .00 0 .00
ATOM 753 CG LEU 165 2 .821 -4 .509 2 .353 1, .00 0 .00
ATOM 754 HG LEU 165 3 .364 -3 .618 2 .632 1, .00 0 .00
ATOM 755 QD1 LEU 165 3 .218 -4 .901 0 .566 1, .00 0 .00
ATOM 756 QD2 LEU 165 0. .984 -4. .170 2 .569 1, .00 0. .00
ATOM 757 CD1 LEU 165 3 .143 -4 .826 0 .911 1 .00 0 .00
ATOM 758 1HD1 LEU 165 3 .464 -5 .853 0 .831 1. .00 0 .00
ATOM 759 2HD1 LEU 165 3 .930 -4 .173 0 .565 1. .00 0 .00
ATOM 760 3HD1 LEU 165 2 .260 -4 .676 0 .304 1. .00 0 .00
ATOM 761 CD2 LEU 165 1 .337 -4 .235 2 .528 1. .00 0. .00
ATOM 762 1HD2 LEU 165 1. .066 -3. .349 1 .974 1, .00 0. .00
ATOM 763 2HD2 LEU 165 1. .119 -4, .085 3, .576 1, .00 0. .00
ATOM 764 3HD2 LEU 165 0, .768 -5. .076 2. .159 1, .00 0. .00
ATOM 765 QQD LEU 165 2, .101 -4. .536 1, .568 1. .00 0, .00
ATOM 766 C LEU 165 5. .031 -5. .685 4. .963 1. .00 0, .00
ATOM 767 0 LEU 165 4 .671 -6 .577 5 .728 1, .00 0. .00
ATOM 768 N HIS+ 166 5 .653 -4 .590 5 .359 1, .00 0. .00
ATOM 769 H HIS+ 166 5 .904 -3 .912 4 .693 1, .00 0. .00
ATOM 770 CA HIS+ 166 5. .964 -4, .350 6. .755 1. .00 0, .00
ATOM 771 HA HIS+ 166 5, .669 -5, .224 7. .316 1. .00 0, .00
ATOM 772 CB HIS+ 166 7. .471 -4, .125 6, .926 1. .00 0, .00
ATOM 773 1HB HIS+ 166 7. .766 -3, .271 6, .332 1. .00 0, .00
ATOM 774 2HB HIS+ 166 8 .000 -4 .998 6 .578 1, .00 0. .00
ATOM 775 QB HIS+ 166 7 .883 -4 .135 6 .455 1, .00 0. .00
ATOM 776 CG HIS+ 166 7 .890 -3. .866 8. .338 1. .00 0. .00
ATOM 777 ND1 HIS+ 166 7. .821 -4. .812 9. .338 1. .00 0. .00
ATOM 778 CD2 HIS+ 166 8. .373 -2. .746 8, .915 1. .00 0, .00
ATOM 779 1HD HIS+ 166 7, .503 -5, .734 9, .234 1. .00 0. .00
ATOM 780 CE1 HIS+ 166 8, .245 -4, .279 10, .471 1. ,00 0, .00
ATOM 781 NE2 HIS+ 166 8, .587 -3, .021 10, .241 1. ,00 0. .00
ATOM 782 2HD HIS+ 166 8, .540 -1. .793 8. .421 1. ,00 0. .00
ATOM 783 IHE HIS+ 166 8, .302 -4. .784 11. .424 1. ,00 0. .00
ATOM 784 2HE HIS+ 166 8 .720 -2. .342 10, .935 1. .00 0, .00
ATOM 785 C HIS+ 166 5. .173 -3. .143 7, .267 1. ,00 0, .00
ATOM 786 0 HIS+ 166 4. .536 -3, .211 8, .319 1. .00 0. .00
ATOM 787 N ASP 167 5. .219 -2. .041 6. .516 1. .00 0, .00
ATOM 788 H ASP 167 5. .745 -2. .048 5. .687 1. ,00 0. .00
ATOM 789 CA ASP 167 4, .510 -0. .817 6. .909 1. 00 0. .00
ATOM 790 HA ASP 167 3, .994 -1. .022 7. .835 1. 00 0. ,00
ATOM 791 CB ASP 167 5. .490 0. .345 7. ,140 1. 00 0. .00
ATOM 792 1HB ASP 167 5. .085 0. .996 7. ,902 1. 00 0. ,00
ATOM 793 2HB ASP 167 5, .593 0, .902 6. .222 1. ,00 0. .00
ATOM 794 QB ASP 167 5, .339 0, .949 7. .062 1. ,00 0. .00
ATOM 795 CG ASP 167 6, .870 -0, .098 7. .579 1. ,00 0. .00
ATOM 796 OD1 ASP 167 7, .650 -0. .564 6. .719 1. ,00 0. ,00
ATOM 797 OD2 ASP 167 7, .175 0. .024 8. .783 1. 00 0. .00
ATOM 798 C ASP 167 3. .483 -0. .388 5. .862 1. 00 0. .00
ATOM 799 0 ASP 167 3. .801 0. .342 4. .927 1. 00 0. ,00
ATOM 800 N TYR 168 2. .249 -0. .837 6. ,028 1. 00 0. ,00
ATOM 801 H TYR 168 2. .054 -1. ,408 6. ,800 1. 00 0. .00
ATOM 802 CA TYR 168 1. .160 -0. ,488 5. ,112 1. 00 0. 00
ATOM 803 HA TYR 168 1. .591 -0. .241 4. .142 1. 00 0. ,00
ATOM 804 CB TYR 168 0. .205 -1. .675 4. .953 1. 00 0. ,00
ATOM 805 1HB TYR 168 0. .603 -2. .351 4. ,211 1. 00 0. ,00
ATOM 806 2HB TYR 168 -0. .757 -1. .311 4. ,622 1. 00 0. 00 297
ATOM 807 QB TYR 168 0 077 -1 831 4 416 1 00 0 00
ATOM 808 QD TYR 168 0 028 -2 542 6 386 1 00 0 00
ATOM 809 QE TYR 168 0 360 -3 782 8 481 1 00 0 00
ATOM 810 QR TYR 168 0 194 -3 162 7 433 1 00 0 00
ATOM 811 CG TYR 168 0 006 -2 453 6 236 1 00 0 00
ATOM 812 CD1 TYR 168 0 845 -3 493 6 593 1 00 0 00
ATOM 813 1HD TYR 168 1 662 -3 753 5 936 1 00 0 00
ATOM 814 CE1 TYR 168 0 662 -4 192 7 769 1 00 0 00
ATOM 815 IHE TYR 168 1 335 -4 996 8 030 1 00 0 00
ATOM 816 CZ TYR 168 0 380 -3 857 8 606 1 00 0 00
ATOM 817 CE2 TYR 168 1 238 -2 831 8 275 1 00 0 00
ATOM 818 2HE TYR 168 2 054 -2 568 8 932 1 00 0 00
ATOM 819 CD2 TYR 168 1 048 -2 135 7 098 1 00 0 00
ATOM 820 2HD TYR 168 1 718 -1 330 6 836 1 00 0 00
ATOM 821 OH TYR 168 0 568 -4 552 9 776 1 00 0 00
ATOM 822 HH TYR 168 0 055 -4 239 10 439 1 00 0 00
ATOM 823 C TYR 168 0 387 0 725 5 624 1 00 0 00
ATOM 824 O TYR 168 0 269 0 938 6 830 1 00 0 00
ATOM 825 N GLY 169 0 159 1 493 4 700 1 00 0 00
ATOM 826 H GLY 169 0 045 1 259 3 754 1 00 0 00
ATOM 827 CA GLY 169 0 938 2 661 5 052 1 00 0 00
ATOM 828 1HA GLY 169 0 298 3 532 5 048 1 00 0 00
ATOM 829 2HA GLY 169 1 354 2 529 6 040 1 00 0 00
ATOM 830 QA GLY 169 0 826 3 030 5 544 1 00 0 00
ATOM 831 C GLY 169 2 053 2 862 4 059 1 00 0 00
ATOM 832 O GLY 169 1 884 2 567 2 884 1 00 0 00
ATOM 833 N MET 170 3 197 3 333 4 510 1 00 0 00
ATOM 834 H MET 170 3 292 3 543 5 461 1 00 0 00
ATOM 835 CA MET 170 4 327 3 538 3 614 1 00 0 00
ATOM 836 HA MET 170 3 979 3 384 2 590 1 00 0 00
ATOM 837 CB MET 170 5 450 2 542 3 933 1 00 0 00
ATOM 838 1HB MET 170 6 398 3 008 3 705 1 00 0 00
ATOM 839 2HB MET 170 5 421 2 313 4 987 1 00 0 00
ATOM 840 QB MET 170 5 910 2 660 4 346 1 00 0 00
ATOM 841 CG MET 170 5 368 1 231 3 161 1 00 0 00
ATOM 842 1HG MET 170 5 520 1 443 2 111 1 00 0 00
ATOM 843 2HG MET 170 6 154 0 578 3 508 1 00 0 00
ATOM 844 QG MET 170 5 837 1 010 2 809 1 00 0 00
ATOM 845 SD MET 170 3 788 0 381 3 352 1 00 0 00
ATOM 846 QE MET 170 4 358 -1 367 4 458 1 00 0 00
ATOM 847 CE MET 170 4 262 -1 073 4 273 1 00 0 00
ATOM 848 IHE MET 170 3 425 -1 413 4 865 1 00 0 00
ATOM 849 2HE MET 170 4 557 -1 853 3 587 1 00 0 00
ATOM 850 3HE MET 170 5 090 -0 833 4 923 1 00 0 00
ATOM 851 C MET 170 4 842 4 961 3 757 1 00 0 00
ATOM 852 O MET 170 5 211 5 388 4 851 1 00 0 00
ATOM 853 N LEU 171 4 849 5 695 2 659 1 00 0 00
ATOM 854 H LEU 171 4 529 5 302 1 817 1 00 0 00
ATOM 855 CA LEU 171 5 298 7 080 2 678 1 00 0 00
ATOM 856 HA LEU 171 5 616 7 305 3 685 1 00 0 00
ATOM 857 CB LEU 171 4 135 8 009 2 309 1 00 0 00
ATOM 858 1HB LEU 171 3 396 7 953 3 095 1 00 0 00
ATOM 859 2HB LEU 171 4 511 9 020 2 264 1 00 0 00
ATOM 860 QB LEU 171 3 954 8 486 2 679 1 00 0 00
ATOM 861 CG LEU 171 3 443 7 693 0 980 1 00 0 00
ATOM 862 HG LEU 171 4 119 7 135 0 351 1 00 0 00
ATOM 863 QD1 LEU 171 2 .990 9 .277 0 .083 1 00 0 00
ATOM 864 QD2 LEU 171 1 904 6 .650 1 .257 1 00 0 00
ATOM 865 CD1 LEU 171 3 078 8 .973 0 256 1 00 0 00
ATOM 866 1HD1 LEU 171 2 711 9 .698 0 .967 1 00 0 00
ATOM 867 2HD1 LEU 171 3 950 9 .368 -0 244 1 00 0 00
ATOM 868 3HD1 LEU 171 2 309 8 766 -0 474 1 00 0 00
ATOM 869 CD2 LEU 171 2 200 6 850 1 204 1 00 0 00
ATOM 870 1HD2 LEU 171 1 879 6 .943 2 .233 1 00 0 00
ATOM 871 2HD2 LEU 171 1 .410 7 .193 0 551 1 00 0 00
ATOM 872 3HD2 LEU 171 2 .421 5 .816 0 .989 1 00 0 00
ATOM 873 QQD LEU 171 2 447 7 .964 0 670 1 00 0 00
ATOM 874 C LEU 171 6 475 7 307 1 732 1 00 0 00
ATOM 875 O LEU 171 7 098 6 355 1 264 1 00 0 00
ATOM 876 N LEU 172 6 756 8 585 1 462 1 00 0 00
ATOM 877 H LEU 172 6 203 9 278 1 .877 1 00 0 00
ATOM 878 CA LEU 172 7 847 9 .004 0 570 1 00 0 00
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300
ATOM 1023 CA ARG+ 180 -8 515 4 897 -2 102 1 00 0 00
ATOM 1024 HA ARG+ 180 -8 891 3 992 -2 .559 1 00 0 00
ATOM 1025 CB ARG+ 180 -9 078 6 109 -2 853 1 00 0 00
ATOM 1026 1HB ARG+ 180 -8 782 6 036 -3 889 1 00 0 00
ATOM 1027 2HB ARG+ 180 -8 654 7 007 -2 435 1 00 0 00
ATOM 1028 QB ARG+ 180 -8 718 6 521 -3 162 1 00 0 00
ATOM 1029 CG ARG+ 180 10 592 6 222 -2 799 1 00 0 00
ATOM 1030 1HG ARG+ 180 10 915 6 094 -1 776 1 00 0 00
ATOM 1031 2HG ARG+ 180 11 023 5 442 -3 412 1 00 0 00
ATOM 1032 QG ARG+ 180 10 969 5 768 -2 594 1 00 0 00
ATOM 1033 CD ARG+ 180 11 075 7 569 -3 307 1 00 0 00
ATOM 1034 1HD ARG+ 180 12 008 7 425 -3 832 1 00 0 00
ATOM 1035 2HD ARG+ 180 10 336 7 966 -3 989 1 00 0 00
ATOM 1036 QD ARG+ 180 11 172 7 695 -3 911 1 00 0 00
ATOM 1037 NE ARG+ 180 11 281 8 523 -2 218 1 00 0 00
ATOM 1038 HE ARG+ 180 10 976 8 254 -1 317 1 00 0 00
ATOM 1039 CZ ARG+ 180 11 852 9 716 -2 378 1 00 0 00
ATOM 1040 NH1 ARG+ 180 12 260 10 097 -3 584 1 00 0 00
ATOM 1041 1HH1 ARG+ 180 12 140 9 487 -4 369 1 00 0 00
ATOM 1042 2HH1 ARG+ 180 12 684 10 995 -3 714 1 00 0 00
ATOM 1043 QH1 ARG+ 180 12 412 10 241 -4 042 1 00 0 00
ATOM 1044 NH2 ARG+ 180 12 020 10 522 -1 336 1 00 0 00
ATOM 1045 1HH2 ARG+ 180 11 721 10 231 -0 419 1 00 0 00
ATOM 1046 2HH2 ARG+ 180 12 442 11 421 -1 455 1 00 0 00
ATOM 1047 QH2 ARG+ 180 12 082 10 826 -0 937 1 00 0 00
ATOM 1048 C ARG+ 180 -6 993 4 906 -2 198 1 00 0 00
ATOM 1049 0 ARG+ 180 -6 427 4 634 -3 245 1 00 0 00
ATOM 1050 N GLY 181 -6 327 5 233 -1 104 1 00 0 00
ATOM 1051 H GLY 181 -6 815 5 445 -0 278 1 00 0 00
ATOM 1052 CA GLY 181 -4 880 5 287 -1 128 1 00 0 00
ATOM 1053 1HA GLY 181 -4 562 6 237 -0 722 1 00 0 00
ATOM 1054 2HA GLY 181 -4 551 5 222 -2 154 1 00 0 00
ATOM 1055 QA GLY 181 -4 557 5 729 -1 438 1 00 0 00
ATOM 1056 C GLY 181 -4 228 4 178 -0 341 1 00 0 00
ATOM 1057 0 GLY 181 -4 801 3 669 0 620 1 00 0 00
ATOM 1058 N VAL 182 -3 020 3 813 -0 753 1 00 0 00
ATOM 1059 H VAL 182 -2 626 4 272 -1 518 1 00 0 00
ATOM 1060 CA VAL 182 -2 253 2 763 -0 097 1 00 0 00
ATOM 1061 HA VAL 182 -2 583 2 697 0 933 1 00 0 00
ATOM 1062 CB VAL 182 -2 447 1 378 -0 773 1 00 0 00
ATOM 1063 HB VAL 182 -1 657 1 250 -1 500 1 00 0 00
ATOM 1064 QG1 VAL 182 -2 293 -0 003 0 491 1 00 0 00
ATOM 1065 QG2 VAL 182 -4 098 1 255 -1 673 1 00 0 00
ATOM 1066 CGI VAL 182 -2 321 0 262 0 249 1 00 0 00
ATOM 1067 1HG1 VAL 182 -3 057 -0 501 0 040 1 00 0 00
ATOM 1068 2HG1 VAL 182 -2 488 0 661 1 239 1 00 0 00
ATOM 1069 3HG1 VAL 182 -1 332 -0 167 0 195 1 00 0 00
ATOM 1070 CG2 VAL 182 -3 781 1 279 -1 502 1 00 0 00
ATOM 1071 1HG2 VAL 182 -3 716 1 797 -2 446 1 00 0 00
ATOM 1072 2HG2 VAL 182 -4 555 1 730 -0 897 1 00 0 00
ATOM 1073 3HG2 VAL 182 -4 021 0 240 -1 675 1 00 0 00
ATOM 1074 QQG VAL 182 -3 195 0 626 -0 591 1 00 0 00
ATOM 1075 C VAL 182 -0 759 3 102 -0 125 1 00 0 00
ATOM 1076 0 VAL 182 -0 195 3 349 -1 191 1 00 0 00
ATOM 1077 N GLU 183 -0 131 3 100 1 044 1 00 0 00
ATOM 1078 H GLU 183 -0 646 2 887 1 859 1 00 0 00
ATOM 1079 CA GLU 183 1 297 3 387 1 167 1 00 0 00
ATOM 1080 HA GLU 183 1 721 3 406 0 173 1 00 0 00
ATOM 1081 CB GLU 183 1 525 4 742 1 842 1 00 0 00
ATOM 1082 1HB GLU 183 1 617 5 500 1 078 1 00 0 00
ATOM 1083 2HB GLU 183 2 446 4 700 2 404 1 00 0 00
ATOM 1084 QB GLU 183 2 031 5 100 1 741 1 00 0 00
ATOM 1085 CG GLU 183 0 413 5 159 2 791 1 00 0 00
ATOM 1086 1HG GLU 183 0 332 4 422 3 576 1 00 0 00
ATOM 1087 2HG GLU 183 -0 515 5 206 2 242 1 00 0 00
ATOM 1088 QG GLU 183 -0 092 4 814 2 909 1 00 0 00
ATOM 1089 CD GLU 183 0 670 6 508 3 419 1 00 0 00
ATOM 1090 OE1 GLU 183 -0 243 7 037 4 082 1 00 0 00
ATOM 1091 OE2 GLU 183 1 784 7 042 3 234 1 00 0 00
ATOM 1092 C GLU 183 1 969 2 284 1 973 1 00 0 00
ATOM 1093 0 GLU 183 1 943 2 290 3 198 1 00 0 00
ATOM 1094 N PHE 184 2 529 1 311 1 284 1 00 0 00 -o Ul Ul 4=. i. OJ OJ to to
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303
ATOM 37 C ALA 126 9. 498 9. 605 -0. .063 1. ,00 0. .00
ATOM 38 O ALA 126 9. ,026 9. 121 0. .964 1. ,00 0. .00
ATOM 39 N LEU 127 8. .847 9. .622 -1, .216 1, .00 0 .00
ATOM 40 H LEU 127 9, .275 10. .021 -2, .001 1, .00 0 .00
ATOM 41 CA LEU 127 7, .510 9. .060 -1 .346 1, .00 0, .00
ATOM 42 HA LEU 127 7, .062 9, .035 -0 .366 1, .00 0 .00
ATOM 43 CB LEU 127 6. .657 9, .934 -2 .269 1, .00 0 .00
ATOM 44 1HB LEU 127 6, .791 9, .582 -3 .281 1, .00 0 .00
ATOM 45 2HB LEU 127 7. .020 10. .949 -2, .207 1, .00 0, .00
ATOM 46 QB LEU 127 6. ,905 10. .266 -2, .744 1, .00 0, .00
ATOM 47 CG LEU 127 5. .158 9. .939 -1, .962 1, .00 0 .00
ATOM 48 HG LEU 127 4. .870 8. .967 -1, .585 1, .00 0, .00
ATOM 49 QD1 LEU 127 4, .754 11, .215 -0, .643 1, .00 0 .00
ATOM 50 QD2 LEU 127 4, .167 10, .275 -3 .524 1, .00 0 .00
ATOM 51 CD1 LEU 127 4, .832 10, .971 -0 .895 1, .00 0 .00
ATOM 52 1HD1 LEU 127 5. ,592 11. ,738 -0, .890 1. .00 0, .00
ATOM 53 2HD1 LEU 127 4. .798 10. ,490 0, .072 1. .00 0, .00
ATOM 54 3HD1 LEU 127 3. .872 11. .417 -1, .109 1, .00 0, .00
ATOM 55 CD2 LEU 127 4. .358 10. .210 -3, .225 1, .00 0, .00
ATOM 56 1HD2 LEU 127 4. .838 10. .992 -3, .795 1, .00 0 .00
ATOM 57 2HD2 LEU 127 3, .359 10. .522 -2, .957 1, .00 0 .00
ATOM 58 3HD2 LEU 127 4, .306 9. .310 -3, .819 1, .00 0 .00
ATOM 59 QQD LEU 127 4, .460 10, .745 -2 .083 1, .00 0 .00
ATOM 60 C LEU 127 7. .580 7. ,640 -1. .898 1. .00 0, .00
ATOM 61 O LEU 127 6. ,565 7. .060 -2, .287 1. .00 0, .00
ATOM 62 N LEU 128 8. ,784 7. ,086 -1, .936 1. .00 0, .00
ATOM 63 H LEU 128 9. ,554 7. .595 -1, .615 1. .00 0, .00
ATOM 64 CA LEU 128 8. ,985 5. .742 -2, .446 1. .00 0, .00
ATOM 65 HA LEU 128 8, .039 5, .227 -2 .404 1 .00 0 .00
ATOM 66 CB LEU 128 9. .460 5, .802 -3 .903 1 .00 0 .00
ATOM 67 1HB LEU 128 10 .540 5, .809 -3 .905 1 .00 0 .00
ATOM 68 2HB LEU 128 9 ■ 111 6, .729 -4 .333 1 .00 0 .00
ATOM 69 QB LEU 128 9, .825 6, .269 -4, .119 1, .00 0 .00
ATOM 70 CG LEU 128 8, .987 4, .649 -4 .794 1, .00 0 .00
ATOM 71 HG LEU 128 8, .637 3, .836 -4 .172 1, .00 0 .00
ATOM 72 QD1 LEU 128 7. .553 5, .203 -5 .876 1, .00 0 .00
ATOM 73 QD2 LEU 128 10. .397 4, .012 -5 .862 1, .00 0 .00
ATOM 74 CD1 LEU 128 7, .827 5, .097 -5 .668 1, .00 0 .00
ATOM 75 1HD1 LEU 128 7 .340 4, .231 -6 .091 1 .00 0 .00
ATOM 76 2HD1 LEU 128 8 .199 5, .725 -6 .465 1 .00 0 .00
ATOM 77 3HD1 LEU 128 7, .120 5. .653 -5, .071 1, .00 0, .00
ATOM 78 CD2 LEU 128 10. .128 4, .134 -5 .656 1. .00 0 .00
ATOM 79 1HD2 LEU 128 10, .431 3, .158 -5 .308 1, .00 0 .00
ATOM 80 2HD2 LEU 128 10. .963 4, .815 -5 .593 1, .00 0 .00
ATOM 81 3HD2 LEU 128 9. .798 4, .063 -6 .683 1, .00 0 .00
ATOM 82 QQD LEU 128 8 .975 4, .608 -5 .869 1, .00 0 .00
ATOM 83 C LEU 128 9 .990 4, .993 -1 .572 1, .00 0 .00
ATOM 84 O LEU 128 10. .102 5, .275 -0, .381 1, .00 0, .00
ATOM 85 N VAL 129 10. .697 4. .038 -2, .174 1, .00 0, .00
ATOM 86 H VAL 129 10, .535 3, .874 -3, .126 1, .00 0, .00
ATOM 87 CA VAL 129 11, .695 3. .212 -1 .480 1, .00 0, .00
ATOM 88 HA VAL 129 11, .167 2, .504 -0 .862 1, .00 0 .00
ATOM 89 CB VAL 129 12, .543 2, .418 -2 .501 1, .00 0 .00
ATOM 90 HB VAL 129 13, .133 3, .124 -3 .069 1, .00 0 .00
ATOM 91 QG1 VAL 129 13 .726 1, .239 -1 .636 1, .00 0 .00
ATOM 92 QG2 VAL 129 11 .437 1, .482 -3 .699 1, .00 0 .00
ATOM 93 CGI VAL 129 13 .500 1 .464 -1 .802 1, .00 0 .00
ATOM 94 1HG1 VAL 129 14 .321 2, .024 -1 .378 1, .00 0 .00
ATOM 95 2HG1 VAL 129 13 .882 0 .750 -2 .516 1, .00 0 .00
ATOM 96 3HG1 VAL 129 12 .977 0 .941 -1 .014 1 .00 0 .00
ATOM 97 CG2 VAL 129 11 .649 1 .660 -3 .469 1, .00 0 .00
ATOM 98 1HG2 VAL 129 11 .825 0 .600 -3 .366 1 .00 0 .00
ATOM 99 2HG2 VAL 129 11, .874 1, .966 -4 .480 1, .00 0, .00
ATOM 100 3HG2 VAL 129 10, .614 1, .878 -3 .249 1, .00 0 .00
ATOM 101 QQG VAL 129 12, .582 1, .360 -2. .667 1, .00 0, .00
ATOM 102 C VAL 129 12 .636 4, .036 -0 .591 1, .00 0 .00
ATOM 103 0 VAL 129 13 .443 4, .819 -1 .088 1. .00 0 .00
ATOM 104 N PRO 130 12 .533 3, .861 0 .744 1, .00 0 .00
ATOM 105 CD PRO 130 11 .596 2, .967 1 .418 1. .00 0 .00
ATOM 106 CA PRO 130 13 .363 4 .568 1 .715 1, .00 0 .00
ATOM 107 HA PRO 130 13, .525 5, .587 1, .426 1. .00 0, .00
ATOM 108 CB PRO 130 12, .525 4. .527 3 .008 1. .00 0, .00 304
ATOM 109 1HB PRO 130 12 .252 5 .535 3, .287 1, .00 0 .00
ATOM 110 2HB PRO 130 13 .110 4 .083 3, .799 1, .00 0 .00
ATOM 111 QB PRO 130 12 .681 4 .809 3 .543 1, .00 0 .00
ATOM 112 CG PRO 130 11 .309 3 .702 2 .699 1, .00 0 .00
ATOM 113 1HG PRO 130 10 .452 4 .349 2 .573 1, .00 0 .00
ATOM 114 2HG PRO 130 11 .130 2 .999 3 .499 1, .00 0 .00
ATOM 115 QG PRO 130 10 .791 3 .674 3, .036 1, .00 0 .00
ATOM 116 1HD PRO 130 10 .692 2 .847 0 .838 1 .00 0 .00
ATOM 117 2HD PRO 130 12 .051 2 .007 1 .619 1 .00 0 .00
ATOM 118 QD PRO 130 11 .371 2 .427 1 .228 1, .00 0 .00
ATOM 119 C PRO 130 14 .718 3 .893 1, .928 1, .00 0 .00
ATOM 120 O PRO 130 15 .679 4 .166 1 .214 1, .00 0 .00
ATOM 121 N ASP 131 14 .776 3 .023 2 .927 1 .00 0 .00
ATOM 122 H ASP 131 13 .973 2 .870 3 .454 1 .00 0 .00
ATOM 123 CA ASP 131 16 .005 2 .302 3 .265 1 .00 0 .00
ATOM 124 HA ASP 131 16, .839 2, .956 3, .053 1, .00 0, .00
ATOM 125 CB ASP 131 16, .016 1, .955 4, .764 1. .00 0, .00
ATOM 126 1HB ASP 131 15 .152 1 .351 4 .993 1, .00 0 .00
ATOM 127 2HB ASP 131 15 .973 2 .868 5, .336 1. .00 0 .00
ATOM 128 QB ASP 131 15 .562 2 .110 5, .164 1. .00 0, .00
ATOM 129 CG ASP 131 17 .259 1 .193 5, .185 1. .00 0, .00
ATOM 130 OD1 ASP 131 18, .366 1 .752 5, .077 1. .00 0, .00
ATOM 131 0D2 ASP 131 17 .117 0 .027 5, .613 1, .00 0 .00
ATOM 132 C ASP 131 16 .157 1 .030 2, .421 1, .00 0 .00
ATOM 133 O ASP 131 16 .569 1 .084 1, .264 1, .00 0 .00
ATOM 134 N LYS+ 132 15, .836 -0, .116 3, .012 1. .00 0, .00
ATOM 135 H LYS+ 132 15, .531 -0, .101 3, .943 1. .00 0, .00
ATOM 136 CA LYS+ 132 15 .956 -1 .394 2 .321 1, .00 0 .00
ATOM 137 HA LYS+ 132 16 .532 -1 .230 1 .423 1, .00 0 .00
ATOM 138 CB LYS+ 132 16 .689 -2 .400 3, .204 1, .00 0 .00
ATOM 139 1HB LYS+ 132 16 .494 -3 .396 2, .836 1, .00 0, .00
ATOM 140 2HB LYS+ 132 16 .313 -2, .317 4, .215 1. .00 0, .00
ATOM 141 QB LYS+ 132 16 .403 -2 .856 3 .525 1. .00 0 .00
ATOM 142 CG LYS+ 132 18 .190 -2 .183 3 .232 1, .00 0 .00
ATOM 143 1HG LYS+ 132 18 .626 -2 .822 3, .983 1, .00 0 .00
ATOM 144 2HG LYS+ 132 18 .387 -1 .147 3, .478 1. .00 0, .00
ATOM 145 QG LYS+ 132 18 .506 -1, .984 3, .730 1. .00 0, .00
ATOM 146 CD LYS+ 132 18, .813 -2. .497 1, .883 1. .00 0. .00
ATOM 147 1HD LYS+ 132 19 .270 -1 .598 1, .492 1, .00 0 .00
ATOM 148 2HD LYS+ 132 18 .033 -2 .826 1, .209 1, .00 0 .00
ATOM 149 QD LYS+ 132 18 .651 -2 .212 1, .350 1, .00 0, .00
ATOM 150 CE LYS+ 132 19 .870 -3 .587 1, .989 1, .00 0, .00
ATOM 151 IHE LYS+ 132 20 .839 -3 .150 1, .789 1. .00 0, .00
ATOM 152 2HE LYS+ 132 19 .660 -4 .347 1 .251 1, .00 0 .00
ATOM 153 QE LYS+ 132 20 .249 -3 .748 1, .520 1, .00 0 .00
ATOM 154 NZ LYS+ 132 19 .890 -4 .216 3, .343 1, .00 0, .00
ATOM 155 1HZ LYS+ 132 20 .393 -5 .126 3, .310 1, .00 0, .00
ATOM 156 2HZ LYS+ 132 18 .918 -4 .382 3, .674 1. .00 0, .00
ATOM 157 3HZ LYS+ 132 20 .371 -3 .588 4 .022 1, .00 0 .00
ATOM 158 QZ LYS+ 132 19 .894 -4 .365 3 .668 1, .00 0 .00
ATOM 159 C LYS+ 132 14 .594 -1 .945 1 .935 1, .00 0 .00
ATOM 160 O LYS+ 132 14 .490 -2 .941 1, .222 1. .00 0, .00
ATOM 161 N CYS 133 13 .552 -1 .292 2, .407 1. .00 0, .00
ATOM 162 H CYS 133 13 .700 -0 .505 2 .967 1. .00 0 .00
ATOM 163 CA CYS 133 12 .195 -1 .709 2, .108 1. .00 0 .00
ATOM 164 HA CYS 133 12 .211 -2 .763 1, .878 1, .00 0, .00
ATOM 165 CB CYS 133 11 .283 -1 .466 3, .310 1. .00 0, .00
ATOM 166 1HB CYS 133 10 .297 -1 .226 2, .949 1. ,00 0, .00
ATOM 167 2HB CYS 133 11 .662 -0 .628 3 .871 1, .00 0 .00
ATOM 168 QB CYS 133 10 .979 -0 .927 3 .410 1, .00 0 .00
ATOM 169 SG CYS 133 11 .122 -2 .868 4 .465 1. .00 0, .00
ATOM 170 C CYS 133 11 .671 -0 .942 0, .900 1. .00 0, .00
ATOM 171 O CYS 133 12 .126 0 .158 0, .618 1. ,00 0, .00
ATOM 172 N LYS+ 134 10, .714 -1 .521 0, .196 1. ,00 0. .00
ATOM 173 H LYS+ 134 10 .380 -2 .400 0 .474 1, .00 0, .00
ATOM 174 CA LYS+ 134 10 .135 -0 .885 -0, .977 1. .00 0, .00
ATOM 175 HA LYS+ 134 10 .837 -0 .147 -1, .336 1. ,00 0, .00
ATOM 176 CB LYS+ 134 9 .887 -1 .922 -2, .077 1. .00 0. .00
ATOM 177 1HB LYS+ 134 9. .127 -2. .611 -1. ,738 1. 00 0. ,00
ATOM 178 2HB LYS+ 134 10, .802 -2, .468 -2, .252 1. .00 0. .00
ATOM 179 QB LYS+ 134 9, .964 -2, .539 -1. .995 1. ,00 0. ,00
ATOM 180 CG LYS+ 134 9, .430 -1. .320 -3. ,398 1. 00 0. ,00
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K cp σu cp cp σc cp cp αa cp cp cp σu p a cp u cp u cp cp σσσσu u cp u cp u cp u cp u cp u p a cp o u pp pp σu cp σσu cp cp cp o cp pp pp αu o CP υ X u ri O] ri Ol ri Ol ri OI CO ri 01 ri ri Ol Ol ri CM ri Ol CO ri CN CO ri ri M m ^ Ln vo ι^ ω cn o ri c o ^ ιn vo c^ ω o ri oι co ^ ι vD t^ ra m o ri c^ o ^ ιn vo ω v o ri c co ^ Ln vD ro [n o ri ι co ^ L^ αi ffl cD cD αi m αi m αi fli σi σi σi σi σi oi αi oi oi o o o o o o o o o o H H H H H ri H H H d C π ti i M π M M ri M iii m n π π n n n M ^ ^ ^ ^ ^ ^ y ^ '. 'ai tf in L in
00 H H H H H H H H H H H H H H ri H ri H H C Cι « N v l ι Cv C [ [N 1 C M θ n ι Cι M N M M C\ Cι n
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W W Ul UI UJ Ul Ul Ul UI Ul Ul Ul UI Ul Ul Ul UI Ul Ul W Lυ Lυ LO Lυ UJ tO tO W tO W W tO tO tO tO W W tO lO W tO tO W tO tO tO to ω to to to to to p p p p p p p p p p o o o o o o o o o o ιo vD Vo vo vo vo vo vD Vo vo ω cxι cD CD ω ω cD ∞ ∞ CD ^ ^ ^ ^ ^ ^ ^ ^ σι cn cn cn cn cn cn cn cn cn uι uι uι uι uι uι uι
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Ω Q Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Q Ω Q q C C C C C C c^ C C C C α π cJ O cJ Si si ≥; s 2J 3 ≥. ≥! ij ij CQ CΩ Oj cn ϋj o cn o rj O + + + + + + + + + + + + + + + + + + + + + + + + 4- + 4- + + + + + + + -I- μ μμ μμ μμ μ μ μμ μ μ μ μ μ μ μ μμμ μμ μ μμ μ μ μ μμμ μμ μ μ μ μ μμ μ μ μ μ μ μ μμμ μμ μ μμ μ μμ μμ μ μ μμ μ μ μ μ μ μ μ μ μ ^ι^^,ι>ι[^ι[^φ.ι^^ι^^ jωwωwω jojwwωwwo w ww oooooooooooo O O O O O O O O O O O VO VO VD VO VD VO VO VD VD VD VD VD VD VO VD VD VO ω ω CO rø CD CD ω ∞ ∞ ω ra ω ω
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307
ATOM 325 NH2 ARG+ 140 -6 .115 1 .538 -11 .842 1 .00 0 .00
ATOM 326 1HH2 ARG+ 140 -5. .720 0 .682 -11 .506 1 .00 0 .00
ATOM 327 2HH2 ARG+ 140 -6 .431 1 .600 -12 .790 1 .00 0 .00
ATOM 328 QH2 ARG+ 140 -6 .076 1 .141 -12 .148 1 .00 0 .00
ATOM 329 C ARG+ 140 -7 .409 5 .959 -6 .111 1 .00 0 .00
ATOM 330 O ARG+ 140 -8 .244 5 .292 -5 .499 1 .00 0 .00
ATOM 331 N MET 141 -7 .678 7 .155 -6 .627 1 .00 0 .00
ATOM 332 H MET 141 -6 .973 7 .629 -7 .115 1 .00 0. .00
ATOM 333 CA MET 141 -8 .998 7, .778 -6 .501 1 .00 0, .00
ATOM 334 HA MET 141 -9 .327 7, .655 -5 .481 1, .00 0, .00
ATOM 335 CB MET 141 -8 .895 9, .276 -6 .821 1, .00 0, .00
ATOM 336 1HB MET 141 -8 .852 9, .396 -7 .894 1, .00 0, .00
ATOM 337 2HB MET 141 -7 .983 9, .661 -6 .389 1, .00 0, .00
ATOM 338 QB MET 141 -8 .418 9, .529 -7 .142 1, .00 0, .00
ATOM 339 CG MET 141 -10 .056 10, .110 -6, .297 1, .00 0, .00
ATOM 340 1HG MET 141 -10 .980 9 .664 -6 .634 1 .00 0 .00
ATOM 341 2HG MET 141 -9 .974 11 .109 -6 .701 1 .00 0 .00
ATOM 342 QG MET 141 -10 .477 10 .387 -6 .668 1 .00 0, .00
ATOM 343 SD MET 141 -10 .085 10 .219 -4 .499 1 .00 0 .00
ATOM 344 QE MET 141 -11 .282 11 .985 -4 .211 1 .00 0, .00
ATOM 345 CE MET 141 -11 .082 11 .688 -4 .260 1 .00 0, .00
ATOM 346 IHE MET 141 -11 .721 11 .836 -5 .118 1, .00 0, .00
ATOM 347 2HE MET 141 -10 .435 12 .546 -4 .140 1, .00 0, .00
ATOM 348 3HE MET 141 -11 .689 11 .571 -3 .374 1 .00 0 .00
ATOM 349 C MET 141 -10 .011 7 .105 -7 .436 1 .00 0 .00
ATOM 350 0 MET 141 -10 .924 7 .750 -7 .958 1 .00 0 .00
ATOM 351 N ASP 142 -9 .841 5 .807 -7 .641 1 .00 0 .00
ATOM 352 H ASP 142 -9 .097 5 .352 -7 .198 1 .00 0 .00
ATOM 353 CA ASP 142 -10 .709 5 .037 -8 .505 1 .00 0 .00
ATOM 354 HA ASP 142 -11 .400 5 .714 -8 .984 1 .00 0, .00
ATOM 355 CB ASP 142 -9 .880 4 .330 -9 .574 1 .00 0, .00
ATOM 356 1HB ASP 142 -10 .545 3 .838 -10 .257 1 .00 0, .00
ATOM 357 2HB ASP 142 -9 .251 3 .593 -9 .102 1 .00 0, .00
ATOM 358 QB ASP 142 -9 .898 3 .716 -9 .680 1 .00 0, .00
ATOM 359 CG ASP 142 -8 .997 5 .273 -10 .360 1, .00 0, .00
ATOM 360 OD1 ASP 142 -7 .902 5 .615 -9 .862 1, .00 0, .00
ATOM 361 OD2 ASP 142 -9 .374 5 .639 -11, .486 1, .00 0, .00
ATOM 362 C ASP 142 -11 .486 3, .993 -7, .716 1. .00 0, .00
ATOM 363 O ASP 142 -12 .712 3, .916 -7, .803 1, .00 0, .00
ATOM 364 N VAL 143 -10 .768 3, .178 -6, .953 1, .00 0, .00
ATOM 365 H VAL 143 -9 .794 3, .279 -6, .928 1, .00 0. .00
ATOM 366 CA VAL 143 -11 .398 2, .119 -6, .174 1, .00 0. .00
ATOM 367 HA VAL 143 -12 .327 1, .864 -6, .665 1, .00 0. .00
ATOM 368 CB VAL 143 -10 .513 0, .852 -6, .133 1, .00 0. .00
ATOM 369 HB VAL 143 -9, .911 0, .886 -5, .233 1, .00 0. .00
ATOM 370 QG1 VAL 143 -11 .573 -0, .702 -6, .067 1, .00 0. .00
ATOM 371 QG2 VAL 143 -9, .354 0, .789 -7, .614 1. .00 0. .00
ATOM 372 CGI VAL 143 -11 .371 -0 .404 -6 .079 1, .00 0. .00
ATOM 373 1HG1 VAL 143 -12 .278 -0 .246 -6 .642 1, .00 0, .00
ATOM 374 2HG1 VAL 143 -11 .618 -0 .630 -5 .052 1, .00 0, .00
ATOM 375 3HG1 VAL 143 -10 .822 -1, .231 -6, .507 1, .00 0, .00
ATOM 376 CG2 VAL 143 -9 .576 0, .801 -7, .331 1, .00 0. .00
ATOM 377 1HG2 VAL 143 -9 .888 1, .531 -8, .064 1, .00 0, .00
ATOM 378 2HG2 VAL 143 -9 .606 -0, .186 -7, .769 1, .00 0. .00
ATOM 379 3HG2 VAL 143 -8 .568 1, .021 -7, .009 1, .00 0. .00
ATOM 380 QQG VAL 143 -10 .464 0, .044 -6, .841 1, .00 0. .00
ATOM 381 C VAL 143 -11 .712 2, .587 -4, .750 1. .00 0. .00
ATOM 382 O VAL 143 -11, .202 3. .609 -4. .294 1. .00 0. ,00
ATOM 383 N CYS 144 -12, .584 1, .849 -4, .070 1. .00 0. ,00
ATOM 384 H CYS 144 -12, .973 1, .058 -4, .499 1. ,00 0. .00
ATOM 385 CA CYS 144 -13, .000 2. .189 -2, .710 1. .00 0. ,00
ATOM 386 HA CYS 144 -12, .198 2. .740 -2, .227 1. .00 0. ,00
ATOM 387 CB CYS 144 -14. .253 3. .067 -2. .776 1. ,00 0. ,00
ATOM 388 1HB CYS 144 -15, .014 2. .546 -3. .341 1. .00 0. ,00
ATOM 389 2HB CYS 144 -14, .010 3. .989 -3. .280 1. ,00 0. .00
ATOM 390 QB CYS 144 -14. .512 3. ,268 -3. .311 1. .00 0. ,00
ATOM 391 SG CYS 144 -14. .967 3. .498 -1. .160 1. .00 0. ,00
ATOM 392 C CYS 144 -13. .285 0. ,930 -1. .902 1. .00 0. ,00
ATOM 393 O CYS 144 -14, .411 0, .434 -1, .891 1. .00 0. ,00
ATOM 394 N GLU 145 -12, .267 0, .411 -1. .234 1. .00 0. ,00
ATOM 395 H GLU 145 -11 .387 0, .840 -1 .280 1, .00 0, .00
ATOM 396 CA GLU 145 -12 .427 -0, .794 -0, .443 1, .00 0. .00 308 -
ATOM 397 HA GLU 145 -13 .470 -1 .067 -0 .478 1 .00 0 .00
ATOM 398 CB GLU 145 -11 .613 -1 .928 -1 .045 1 .00 0 .00
ATOM 399 1HB GLU 145 -11 .382 -2 .641 -0 .271 1 .00 0 .00
ATOM 400 2HB GLU 145 -10 .690 -1 .527 -1 .441 1 .00 0 .00
ATOM 401 QB GLU 145 -11 .036 -2 .084 -0 .856 1 .00 0 .00
ATOM 402 CG GLU 145 -12 .350 -2 .656 -2 .159 1 .00 0 .00
ATOM 403 1HG GLU 145 -11 .652 -3 .296 -2 .677 1 .00 0 .00
ATOM 404 2HG GLU 145 -12 .747 -1 .926 -2 .848 1 .00 0 .00
ATOM 405 QG GLU 145 -12 .200 -2 .611 -2 .763 1 .00 0 .00
ATOM 406 CD GLU 145 -13 .496 -3 .506 -1 .644 1 .00 0 .00
ATOM 407 OE1 GLU 145 -13 .970 -3 .251 -0 .514 1 .00 0 .00
ATOM 408 OE2 GLU 145 -13 .916 -4 .432 -2 .362 1 .00 0 .00
ATOM 409 C GLU 145 -12 .038 -0 .569 1 .009 1 .00 0 .00
ATOM 410 0 GLU 145 -11 .635 0 .528 1 .392 1 .00 0 .00
ATOM 411 N THR 146 -12 .189 -1 .614 1 .811 1 .00 0 .00
ATOM 412 H THR 146 -12 .530 -2, .453 1 .438 1, .00 0, .00
ATOM 413 CA THR 146 -11 .889 -1, .553 3 .232 1, .00 0, .00
ATOM 414 HA THR 146 -12 .315 -0, .640 3 .625 1, .00 0, .00
ATOM 415 CB THR 146 -12 .545 -2, .748 3 .928 1, .00 0, .00
ATOM 416 HB THR 146 -11 .840 -3, .568 3, .950 1, .00 0, .00
ATOM 417 QG2 THR 146 -13 .073 -2, .397 5 .692 1, .00 0, .00
ATOM 418 OG1 THR 146 -13 .698 -3, .171 3 .210 1, .00 0. .00
ATOM 419 1HG THR 146 -13 .896 -4, .087 3 .433 1, .00 0, .00
ATOM 420 CG2 THR 146 -12 .971 -2, .467 5 .351 1, .00 0, .00
ATOM 421 1HG2 THR 146 -12 .840 -1, .414 5 .567 1, .00 0, .00
ATOM 422 2HG2 THR 146 -12 .367 -3, .049 6 .032 1, .00 0, .00
ATOM 423 3HG2 THR 146 -14 .010 -2, .730 5 .478 1, .00 0, .00
ATOM 424 C THR 146 -10 .383 -1, .540 3 .480 1, .00 0, .00
ATOM 425 O THR 146 -9 .597 -1, .893 2 .597 1, .00 0, .00
ATOM 426 N HIS+ 147 -9 .993 -1, .139 4 .689 1, .00 0, .00
ATOM 427 H HIS+ 147 -10 .678 -0, .874 5 .344 1, .00 0, .00
ATOM 428 CA HIS+ 147 -8 .584 -1, .078 5 .080 1, .00 0, .00
ATOM 429 HA HIS+ 147 -8 .097 -0, .337 4 .464 1, .00 0, .00
ATOM 430 CB HIS+ 147 -8 .473 -0, .660 6 .550 1, .00 0, .00
ATOM 431 1HB HIS+ 147 -8 .439 -1, .548 7 .165 1, .00 0, .00
ATOM 432 2HB HIS+ 147 -9 .344 -0, .080 6 .818 1, .00 0, .00
ATOM 433 QB HIS+ 147 -8 .892 -0, .814 6, .991 1, .00 0, .00
ATOM 434 CG HIS+ 147 -7 .261 0, .163 6 .866 1, .00 0, .00
ATOM 435 ND1 HIS+ 147 -7 .302 1, .532 7 .026 1, .00 0, .00
ATOM 436 CD2 HIS+ 147 -5 .971 -0, .198 7 .069 1, .00 0, .00
ATOM 437 1HD HIS+ 147 -8 .106 2, .097 6 .940 1, .00 0, .00
ATOM 438 CE1 HIS+ 147 -6 .092 1, .977 7 .315 1, .00 0, .00
ATOM 439 NE2 HIS+ 147 -5 .265 0, .948 7 .348 1 .00 0, .00
ATOM 440 2HD HIS+ 147 -5 .568 -1, .202 7 .009 1, .00 0, .00
ATOM 441 IHE HIS+ 147 -5 .825 3, .010 7 .496 1, .00 0, .00
ATOM 442 2HE HIS+ 147 -4 .334 0, .982 7 .659 1 .00 0, .00
ATOM 443 C HIS+ 147 -7 .897 -2, .427 4 .876 1, .00 0, .00
ATOM 444 O HIS+ 147 -6 .713 -2, .491 4 .547 1, .00 0, .00
ATOM 445 N LEU 148 -8 .649 -3, .503 5 .072 1, .00 0. .00
ATOM 446 H LEU 148 -9 .588 -3, .389 5 .329 1, .00 0, .00
ATOM 447 CA LEU 148 -8 .111 -4, .848 4 .914 1, .00 0. .00
ATOM 448 HA LEU 148 -7 .148 -4, .877 5 .402 1, .00 0, .00
ATOM 449 CB LEU 148 -9 .033 -5, .871 5 .582 1, .00 0, .00
ATOM 450 1HB LEU 148 -9 .765 ' -6, .192 4 .857 1, .00 0, .00
ATOM 451 2HB LEU 148 -9 .547 -5, .383 6 .398 1, .00 0, .00
ATOM 452 QB LEU 148 -9 .656 -5, .787 5 .627 1, .00 0, .00
ATOM 453 CG LEU 148 -8 .328 -7. .112 6 .130 1, .00 0. .00
ATOM 454 HG LEU 148 -7 .261 -6, .942 6 .125 1, .00 0. .00
ATOM 455 QD1 LEU 148 -8, .854 -7. ,442 7, .904 1. .00 0. ,00
ATOM 456 QD2 LEU 148 -8, .686 -8. .608 5, .049 1. .00 0. .00
ATOM 457 CD1 LEU 148 -8, .753 -7. .378 7, .564 1. .00 0. ,00
ATOM 458 1HD1 LEU 148 -8, .289 -6. .655 8, .218 1. ,00 0. ,00
ATOM 459 2HD1 LEU 148 -8, .444 -8. .373 7, .851 1. ,00 0. ,00
ATOM 460 3HD1 LEU 148 -9, .827 -7. ,299 7, .643 1. ,00 0. ,00
ATOM 461 CD2 LEU 148 -8, .617 -8. ,321 5, .256 1. ,00 0. 00
ATOM 462 1HD2 LEU 148 -8, .317 -9. .220 5, .775 1. .00 0. 00
ATOM 463 2HD2 LEU 148 -8, .064 -8. .239 4, .331 1. .00 0. 00
ATOM 464 3HD2 LEU 148 -9, .675 -8. ,367 5, .041 1. ,00 0. 00
ATOM 465 QQD LEU 148 -8. ,770 -8. 025 6. .476 1. 00 0. 00
ATOM 466 C LEU 148 -7. ,923 -5. 202 3. ,444 1. 00 0. 00
ATOM 467 O LEU 148 -7. ,014 -5. 947 3. .094 1. 00 0. 00
ATOM 468 N HIS+ 149 -8. ,782 -4. 663 2. ,586 1. 00 0. 00
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+ + + + + + + + + + + + + + + + + + + + + + + + + + +
ft f t CP CP CP m o rt rt cp cp m cB O Q α c w cii Q ia tsi N ia i cc N C ft f t m co o co p
X u c p u CP CP σ CJ p a cp u cp u cp cp αu u o u u a cp cp u u cp cp u cp cp p p a X u c P u CP CP α u cn o ri C co ^ i o t^ ra ^ o ri CN o ^ in vD t^ ∞ c o ri oi 'Hi ijj vD i^ ∞ vTi o ri ci m ^ i vo r^ ∞ σ O ri re
00 00 00
222222222222 S 222222222222222 S 2 22222222222 2 222222222 2 o O P P O O P P P P P O O O P P P O P P O O O P P P P O P O O O O O P P O O O O O O O O O O O O P O P O EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH H EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH EH o ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft ft rtrtrtrtrtrtrtrtrtrtrt rtrtrtrtrtrtrtrtrtrtrt
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+ + + + + + + + + + + + + + + + + + + p p p p p p p p p p p p p p p p p p p p p p p p p p p p i
o p o o o σ o o p o p o o p o P o o o o o o o o o p p p t ω ω ^ ^ σι Uι uι uι uι W ιb Lπ ui ιb ιb co co co co ^ι ^3 oo ^ι ^ι ^ι ^] ι uι uι uι ui ιb ιb to o o o p uι to ω Lvi o to p to 00 Ul VD Ul CO J -J o O O o to oo ib P ib yi μ vl w in ^1 p p ∞ to ^i p ui vo vo o n m ui vo co cn o vo co tO VO VD lb Ul ^ * oι Ul Ul CD U] lb O ω o ^ o I ω αι ιb p
ri to ω ri to o o o o vo vo n uι --ι ι μ σ. rf^ j u t^ rf^ μ j μ ω ω I O VD O o -j [c cθ i σ\ w ^ co o σ\ ^ >j co σι ^ W M VD i rfϊ. to uι ω tø ir!. ir» ui ] σi ω n o vo O CO J μ H U o m w o si ^ N. o o H iπ o H -J ^ ^ μ cD cj. ^ ifi. u. H Ji. μ o Ul n> Oh its- μ -j o ^i to oo tJ^ ^i ui to o oj cD ω μ to vo μ cn ui μ μμ μμ μμ μμ μ μ μμ μ μ μ μμ μμ μ μμ μμ μμ μμ μμ μ μ μ μμ μ μ μμ μμ μ μ μ μ μ μ μ μμ μμ μ μ μ μ μμ μ μ μμ μμ μ μ ri μ μ o o o oo o ooo o o oo o o o oo o o o o o o o o o o o o o o oo o o o o oo o o o o o o o o o oo o o o o o o o o o o o o oo o o o o oo o o o o o o o o o o o o o oo oo o oo o oo o ooo oo oo oo o o o o o o o oo oo oo oo o o oo o o o o o o oo o o o o o o o OO O O O O OO O o o o o o O O O OO OO O O OO OO OO OO O O O O O O O O OO O O O O O o o o o OO O O O O OO O o o o o o O O O OO OO O O OOOOOOOOOO OOOOOO OO O O O O O
314
ATOM 829 2HA GLY 169 -1. .427 2, .638 5 .898 1. .00 0 .00
ATOM 830 QA GLY 169 -0, .891 3, .140 5 .410 1. .00 0 .00
ATOM 831 C GLY 169 -2 .103 2 .988 3 .913 1 .00 0 .00
ATOM 832 O GLY 169 -1 .938 2 .669 2 .743 1 .00 0 .00
ATOM 833 N MET 170 -3 .229 3 .510 4 .353 1 .00 0 .00
ATOM 834 H MET 170 -3 .314 3 .744 5 .299 1 .00 0 .00
ATOM 835 CA MET 170 -4 .350 3 .747 3 .454 1 .00 0 .00
ATOM 836 HA MET 170 -4 .030 3, .494 2 .442 1 .00 0 .00
ATOM 837 CB MET 170 -5 .557 2, .885 3 .850 1 .00 0 .00
ATOM 838 1HB MET 170 -6 .458 3, .435 3 .617 1 .00 0 .00
ATOM 839 2HB MET 170 -5 .523 2, .715 4 .915 1. .00 0 .00
ATOM 840 QB MET 170 -5 .991 3, .075 4 .266 1 .00 0 .00
ATOM 841 CG MET 170 -5 .639 1 .527 3 .160 1 .00 0 .00
ATOM 842 1HG MET 170 -6 .058 1 .673 2 .173 1 .00 0 .00
ATOM 843 2HG MET 170 -6 .297 0 .892 3 .732 1 .00 0 .00
ATOM 844 QG MET 170 -6 .178 1 .283 2 .952 1 .00 0 .00
ATOM 845 SD MET 170 -4 .050 0 .693 2 .989 1 .00 0 .00
ATOM 846 QE MET 170 -4 .214 -0 .844 4 .477 1 .00 0 .00
ATOM 847 CE MET 170 -4 .186 -0, .586 4 .228 1 .00 0 .00
ATOM 848 IHE MET 170 -3 .221 -0 .750 4 .684 1 .00 0 .00
ATOM 849 2HE MET 170 -4 .527 -1 .501 3 .765 1 .00 0 .00
ATOM 850 3HE MET 170 -4 .894 -0 .281 4 .984 1 .00 0 .00
ATOM 851 C MET 170 -4 .739 5, .216 3 .503 1 .00 0 .00
ATOM 852 O MET 170 -5 .090 5, .738 4 .561 1, .00 0 .00
ATOM 853 N LEU 171 -4, .670 5, .879 2, .364 1, .00 0, .00
ATOM 854 H LEU 171 -4, .379 5, .409 1, .553 1, .00 0, .00
ATOM 855 CA LEU 171 -5, .007 7, .292 2, .289 1, .00 0, .00
ATOM 856 HA LEU 171 -5, .131 7. .652 3, .299 1, .00 0, .00
ATOM 857 CB LEU 171 -3 .875 8 .072 1 .622 1 .00 0 .00
ATOM 858 1HB LEU 171 -3 .916 9 .093 1 .970 1 .00 0 .00
ATOM 859 2HB LEU 171 -4 .042 8 .068 0 .552 1 .00 0 .00
ATOM 860 QB LEU 171 -3 .979 8 .581 1 .261 1, .00 0 .00
ATOM 861 CG LEU 171 -2 .472 7 .532 1 .892 1, .00 0 .00
ATOM 862 HG LEU 171 -2 .529 6, .751 2, .637 1, .00 0, .00
ATOM 863 QD1 LEU 171 -1, .741 6, .792 0, .328 1, .00 0, .00
ATOM 864 QD2 LEU 171 -1, .364 8, .894 2, .559 1, .00 0, .00
ATOM 865 CD1 LEU 171 -1, .881 6, .932 0, .628 1, .00 0, .00
ATOM 866 1HD1 LEU 171 -2, .249 5, .926 0, .500 1, .00 0, .00
ATOM 867 2HD1 LEU 171 -0, .804 6, .915 0. .709 1, .00 0, .00
ATOM 868 3HD1 LEU 171 -2, .170 7, .533 -0, .224 1, .00 0, .00
ATOM 869 CD2 LEU 171 -1, .576 8, .634 2, .432 1, .00 0, .00
ATOM 870 1HD2 LEU 171 -0, .568 8, .257 2, .537 1, .00 0, .00
ATOM 871 2HD2 LEU 171 -1, .942 8, .956 3, .395 1, .00 0, .00
ATOM 872 3HD2 LEU 171 -1. .580 9. .468 1, .746 1. .00 0. .00
ATOM 873 QQD LEU 171 -1, .553 7, .843 1. .444 1. ,00 0. .00
ATOM 874 C LEU 171 -6. .307 7. .510 1, .529 1. .00 0. .00
ATOM 875 O LEU 171 -7, .044 6. .555 1. .270 1. ,00 0. .00
ATOM 876 N LEU 172 -6. .562 8. .778 1. .183 1. ,00 0. ,00
ATOM 877 H LEU 172 -5, .910 9. .464 1. .429 1. .00 0. .00
ATOM 878 CA LEU 172 -7, .762 9. .199 0. .449 1. ,00 0. ,00
ATOM 879 HA LEU 172 -7. .925 10. ,242 0. .674 1. ,00 0. ,00
ATOM 880 CB LEU 172 -7. .551 9. .061 -1. .061 1. ,00 0. ,00
ATOM 881 1HB LEU 172 -8. ,437 8. .612 -1. ,484 1. ,00 0. ,00
ATOM 882 2HB LEU 172 -6. .715 8. .397 -1. .232 1. ,00 0. ,00
ATOM 883 QB LEU 172 -7. .576 8. ,505 -1. ,358 1. ,00 0. ,00
ATOM 884 CG LEU 172 -7, .285 10, .377 -1, .796 1. .00 0. .00
ATOM 885 HG LEU 172 -7. .247 10, .186 -2, .857 1. ,00 0. .00
ATOM 886 QD1 LEU 172 -8, .669 11, .609 -1. .477 1. ,00 0. .00
ATOM 887 QD2 LEU 172 -5 .633 11, .109 -1, .279 1. .00 0. .00
ATOM 888 CD1 LEU 172 -8 .404 11, .373 -1, .538 1, .00 0, .00
ATOM 889 1HD1 LEU 172 -8 .026 12, .192 -0, .944 1. .00 0, .00
ATOM 890 2HD1 LEU 172 -9, .207 10, .883 -1, .006 1. .00 0, .00
ATOM 891 3HD1 LEU 172 -8, .774 11. .751 -2, .479 1. ,00 0. .00
ATOM 892 CD2 LEU 172 -5, .950 10, .969 -1, .378 1. ,00 0. .00
ATOM 893 1HD2 LEU 172 -5, .636 11, .702 -2, .106 1. ,00 0. .00
ATOM 894 2HD2 LEU 172 -5, .210 10. .182 -1, .319 1. .00 0. .00
ATOM 895 3HD2 LEU 172 -6, .051 11. .441 -0. .412 1. .00 0. .00
ATOM 896 QQD LEU 172 -7, .151 11. .359 -1. .378 1. .00 0. ,00
ATOM 897 C LEU 172 -9. .004 8. ,422 0. ,875 1. ,00 0. ,00
ATOM 898 O LEU 172 -9. .488 7. ,563 0. ,139 1. 00 0. ,00
ATOM 899 N PRO 173 -9. .543 8. ,711 2. ,071 1. 00 0. 00
ATOM 900 CD PRO 173 -9. .044 9. ,722 3. .019 1. 00 0. 00 σv as Ul Ul 4^ 4*. OJ OJ t to
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317
ATOM 1045 1HH2 ARG+ 180 -13 .051 5 .378 -6, .666 1, .00 0 .00
ATOM 1046 2HH2 ARG+ 180 -14 .019 6 .726 -7, .162 1. .00 0 .00
ATOM 1047 QH2 ARG+ 180 -13 .535 6 .052 -6, .914 1, .00 0 .00
ATOM 1048 C ARG+ 180 -7 .099 4 .972 -2, .252 1, .00 0 .00
ATOM 1049 O ARG+ 180 -6 .566 4 .681 -3, .314 1. .00 0 .00
ATOM 1050 N GLY 181 -6 .400 5 .312 -1, .179 1. .00 0 .00
ATOM 1051 H GLY 181 -6 .865 5, .534 -0. .344 1. .00 0 .00
ATOM 1052 CA GLY 181 -4, .950 5, .360 -1, .235 1. .00 0 .00
ATOM 1053 1HA GLY 181 -4, .615 6, .296 -0. .809 1. .00 0 .00
ATOM 1054 2HA GLY 181 -4 .644 5 .324 -2 .270 1, .00 0 .00
ATOM 1055 QA GLY 181 -4 .630 5 .810 -1 .540 1, .00 0 .00
ATOM 1056 C GLY 181 -4 .288 4 .219 -0 .494 1, .00 0 .00
ATOM 1057 O GLY 181 -4 .862 3 .660 0 .440 1, .00 0 .00
ATOM 1058 N VAL 182 -3 .073 3 .878 -0 .916 1, .00 0 .00
ATOM 1059 H VAL 182 -2 .680 4 .372 -1 .658 1, .00 0 .00
ATOM 1060 CA VAL 182 -2, .301 2, .799 -0, .305 1. ,00 0. .00
ATOM 1061 HA VAL 182 -2, .632 2. .685 0. .721 1. ,00 0. .00
ATOM 1062 CB VAL 182 -2, .490 1, .446 -1. .040 1. ,00 0. .00
ATOM 1063 HB VAL 182 -1. .697 1, .352 -1. .770 1. ,00 0. .00
ATOM 1064 QG1 VAL 182 -2, .334 0, .015 0. .165 1. ,00 0. .00
ATOM 1065 QG2 VAL 182 -4, .136 1, .356 -1. .951 1. .00 0. .00
ATOM 1066 CGI VAL 182 -2, .363 0. .289 -0. .066 1. .00 0. .00
ATOM 1067 1HG1 VAL 182 -1, .357 -0. .102 -0. .099 1. .00 0, .00
ATOM 1068 2HG1 VAL 182 -3 .061 -0, .489 -0. .339 1. .00 0 .00
ATOM 1069 3HG1 VAL 182 -2, .583 0, .635 0, .934 1. .00 0 .00
ATOM 1070 CG2 VAL 182 -3, .821 1, .373 -1, .777 1. .00 0 .00
ATOM 1071 1HG2 VAL 182 -4 .591 1, .835 -1, .177 1. .00 0 .00
ATOM 1072 2HG2 VAL 182 -4, .077 0, .339 -1, .956 1. .00 0 .00
ATOM 1073 3HG2 VAL 182 -3, .739 1, .892 -2, .720 1. ,00 0, .00
ATOM 1074 QQG VAL 182 -3, .235 0, .685 -0, .893 1. .00 0, .00
ATOM 1075 C VAL 182 -0, .805 3, .132 -0, .311 1. .00 0, .00
ATOM 1076 O VAL 182 -0, .223 3, .383 -1. .366 1. ,00 0, .00
ATOM 1077 N GLU 183 -0, .193 3, .117 0. .866 1. ,00 0, .00
ATOM 1078 H GLU 183 -0, .720 2, .899 1. .671 1. ,00 0, .00
ATOM 1079 CA GLU 183 1, .234 3, .398 1. .015 1. ,00 0, .00
ATOM 1080 HA GLU 183 1 .676 3 .428 0, .029 1. .00 0 .00
ATOM 1081 CB GLU 183 1 .446 4, .745 1, .711 1. .00 0 .00
ATOM 1082 1HB GLU 183 1 .589 5, .508 0, .960 1. .00 0 .00
ATOM 1083 2HB GLU 183 2 .335 4, .684 2, .322 1. .00 0 .00
ATOM 1084 QB GLU 183 1, .962 5, .096 1, .641 1. .00 0 .00
ATOM 1085 CG GLU 183 0, .291 5, .166 2, .602 1. .00 0, .00
ATOM 1086 1HG GLU 183 -0, .122 4, .287 3, .073 1. ,00 0, .00
ATOM 1087 2HG GLU 183 -0, .465 5, .639 1, .993 1. .00 0, .00
ATOM 1088 QG GLU 183 -0, .294 4, .963 2. .533 1. ,00 0, .00
ATOM 1089 CD GLU 183 0, .715 6, .136 3, .680 1. .00 0, .00
ATOM 1090 OE1 GLU 183 0, .276 5, .964 4. .834 1. ,00 0, .00
ATOM 1091 OE2 GLU 183 1, .482 7, .070 3. .365 1. ,00 0, .00
ATOM 1092 C GLU 183 1. .891 2, .286 1, .826 1. ,00 0, .00
ATOM 1093 O GLU 183 1, .884 2, .311 3. .050 1. ,00 0, .00
ATOM 1094 N PHE 184 2 .420 1 .287 1, .147 1. .00 0 .00
ATOM 1095 H PHE 184 2 .373 1 .294 0, .174 1, .00 0. .00
ATOM 1096 CA PHE 184 3 .023 0 .148 1, .827 1. .00 0 .00
ATOM 1097 HA PHE 184 2 .871 0 .289 2, .885 1. .00 0 .00
ATOM 1098 CB PHE 184 2, .335 -1, .154 1, .405 1. .00 0 .00
ATOM 1099 1HB PHE 184 1, .413 -1 .265 1, .958 1. ,00 0, .00
ATOM 1100 2HB PHE 184 2, .985 -1, .981 1, .651 1. .00 0, .00
ATOM 1101 QB PHE 184 2, .199 -1, .623 1, .804 1. ,00 0, .00
ATOM 1102 QD PHE 184 1, .975 -1, .265 -0, .241 1. ,00 0, .00
ATOM 1103 QE PHE 184 1, .429 -1. .494 -2, .626 1. ,00 0, .00
ATOM 1104 QR PHE 184 1, .591 -1. .428 -1, .910 1. ,00 0. .00
ATOM 1105 CG PHE 184 2, .015 -1, .255 -0, .071 1. ,00 0, .00
ATOM 1106 CD1 PHE 184 2 .629 -2 .217 -0, .853 1, .00 0 .00
ATOM 1107 1HD PHE 184 3 .357 -2 .875 -0, .405 1, .00 0 .00
ATOM 1108 CE1 PHE 184 2 .321 -2 .349 -2, .193 1. .00 0 .00
ATOM 1109 IHE PHE 184 2 .810 -3 .107 -2, .786 1. .00 0, .00
ATOM 1110 CZ PHE 184 1 .395 -1 .512 -2, .773 1. .00 0, .00
ATOM 1111 HZ PHE 184 1 .146 -1, .623 -3, .817 1. .00 0, .00
ATOM 1112 CE2 PHE 184 0 .775 -0, .541 -2, .013 1. .00 0, .00
ATOM 1113 2HE PHE 184 0. .049 0. .119 -2. ,466 1. 00 0. ,00
ATOM 1114 CD2 PHE 184 1. .080 -0. .418 -0. ,670 1. 00 0. .00
ATOM 1115 2HD PHE 184 0. .594 0. .345 -0. ,077 1. 00 0. ,00
ATOM 1116 C PHE 184 4. ,513 0. .012 1. ,567 1. 00 0. .00 318
ATOM 1117 O PHE 184 4 .993 0 .271 0 .469 1 .00 0 .00
ATOM 1118 N VAL 185 5 .232 -0 .434 2 .586 1 .00 0 .00
ATOM 1119 H VAL 185 4 .780 -0 .642 3 .431 1 .00 0 .00
ATOM 1120 CA VAL 185 6 .664 -0 .652 2 .487 1 .00 0 .00
ATOM 1121 HA VAL 185 6 .989 -0 .338 1 .504 1 .00 0 .00
ATOM 1122 CB VAL 185 7 .440 0 .160 3 .552 1 .00 0 .00
ATOM 1123 HB VAL 185 7 .583 -0 .467 4 .425 1 .00 0 .00
ATOM 1124 QG1 VAL 185 9 .125 0 .666 2 .909 1 .00 0 .00
ATOM 1125 QG2 VAL 185 6 .477 1. .686 4 .083 1 .00 0, .00
ATOM 1126 CGI VAL 185 8 .803 0 .567 3 .031 1 .00 0 .00
ATOM 1127 1HG1 VAL 185 8 .801 1 .625 2 .813 1 .00 0 .00
ATOM 1128 2HG1 VAL 185 9 .026 0 .014 2 .132 1 .00 0 .00
ATOM 1129 3HG1 VAL 185 9 .550 0 .357 3 .782 1 .00 0 .00
ATOM 1130 CG2 VAL 185 6 .662 1 .393 3 .980 1 .00 0 .00
ATOM 1131 1HG2 VAL 185 6 .897 2, .216 3 .321 1 .00 0, .00
ATOM 1132 2HG2 VAL 185 6 .933 1 .654 4 .993 1 .00 0 .00
ATOM 1133 3HG2 VAL 185 5 .603 1 .186 3 .935 1 .00 0 .00
ATOM 1134 QQG VAL 185 7 .801 1 .176 3 .496 1 .00 0 .00
ATOM 1135 C VAL 185 6 .957 -2 .142 2 .654 1 .00 0 .00
ATOM 1136 O VAL 185 6 .697 - .721 3 .706 1 .00 0 .00
ATOM 1137 N CYS 186 7 .469 -2 .770 1 .604 1 .00 0 .00
ATOM 1138 H CYS 186 7 .636 -2 .266 0 .776 1 .00 0 .00
ATOM 1139 CA CYS 186 7 .765 -4 .197 1 .646 1 .00 0, .00
ATOM 1140 HA CYS 186 7 .511 -4 .555 2 .635 1, .00 0, .00
ATOM 1141 CB CYS 186 6 .908 -4, .952 0 .620 1, .00 0, .00
ATOM 1142 1HB CYS 186 5, .884 -4, .966 0, .966 1, .00 0, .00
ATOM 1143 2HB CYS 186 7, .267 -5, .966 0, .545 1, .00 0, .00
ATOM 1144 QB CYS 186 6 .575 -5 .466 0 .755 1 .00 0 .00
ATOM 1145 SG CYS 186 6 .913 -4 .248 -1 .060 1 .00 0, .00
ATOM 1146 C CYS 186 9 .247 -4 .459 1 .400 1, .00 0, .00
ATOM 1147 O CYS 186 9 .811 -3, .981 0 .425 1, .00 0, .00
ATOM 1148 N CYS 187 9, .879 -5, .222 2 .284 1, .00 0. .00
ATOM 1149 H CYS 187 9, .381 -5, .586 3 .049 1, .00 0, .00
ATOM 1150 CA CYS 187 11 .305 -5 .524 2 .139 1 .00 0 .00
ATOM 1151 HA CYS 187 11 .751 -4 .720 1 .575 1 .00 0, .00
ATOM 1152 CB CYS 187 11. .995 -5, .608 3, .505 1, .00 0. .00
ATOM 1153 1HB CYS 187 12. .788 -6. .341 3. .452 1. .00 0. .00
ATOM 1154 2HB CYS 187 11. .275 -5. .919 4, .246 1. .00 0. .00
ATOM 1155 QB CYS 187 12, .031 -6, .130 3 .849 1, .00 0, .00
ATOM 1156 SG CYS 187 12, .726 -4, .039 4, .069 1, .00 0, .00
ATOM 1157 C CYS 187 11, .529 -6. .822 1, .386 1, .00 0, .00
ATOM 1158 O CYS 187 10. .709 -7, .731 1, .456 1, .00 0. .00
ATOM 1159 N PRO 188 12, .645 -6, .907 0. .639 1, .00 0. .00
ATOM 1160 CD PRO 188 13, .650 -5, .836 0 .489 1, .00 0. .00
ATOM 1161 CA PRO 188 12, .990 -8, .096 -0 .150 1, .00 0, .00
ATOM 1162 HA PRO 188 12, .262 -8, .279 -0 .925 1, .00 0, .00
ATOM 1163 CB PRO 188 14, .337 -7, .737 -0, .787 1, .00 0, .00
ATOM 1164 1HB PRO 188 14, .363 -8, .100 -1, .804 1. .00 0. .00
ATOM 1165 2HB PRO 188 15. .135 -8. ,193 -0. ,218 1. ,00 0. ,00
ATOM 1166 QB PRO 188 14. ,749 -8. .146 -1. .011 1. ,00 0. ,00
ATOM 1167 CG PRO 188 14. .414 -6. .249 -0, .737 1. .00 0. .00
ATOM 1168 1HG PRO 188 13. .960 -5. .827 -1, .621 1. .00 0. ,00
ATOM 1169 2HG PRO 188 15. .445 -5. .938 -0. .659 1. .00 0. ,00
ATOM 1170 QG PRO 188 14. .702 -5. .882 -1. .140 1. ,00 0. ,00
ATOM 1171 1HD PRO 188 13. .174 -4. ,880 0. .329 1. .00 0. ,00
ATOM 1172 2HD PRO 188 14. ,305 -5. ,792 1. .348 1. .00 0. ,00
ATOM 1173 QD PRO 188 13, .739 -5. .336 0, .838 1. .00 0. ,00
ATOM 1174 C PRO 188 13, .140 -9. .353 0, .704 1. .00 0. .00
ATOM 1175 O PRO 188 13. .892 -9. ,366 1. .682 1. .00 0. ,00
ATOM 1176 N LEU 189 12. .429 -10. .399 0. .308 1. .00 0. ,00
ATOM 1177 H LEU 189 11. .863 -10. .311 -0. .488 1. ,00 0. ,00
ATOM 1178 CA LEU 189 12. .468 -11. ,680 0. .990 1. ,00 0. ,00
ATOM 1179 HA LEU 189 13. .331 -11. .688 1. .639 1. ,00 0. ,00
ATOM 1180 CB LEU 189 11. ,204 -11. ,889 1. .825 1. ,00 0. 00
ATOM 1181 1HB LEU 189 10. ,394 -12. ,131 1. .155 1. ,00 0. 00
ATOM 1182 2HB LEU 189 10. .971 -10. ,961 2. ,327 1. 00 0. 00
ATOM 1183 QB LEU 189 10. .682 -11. ,546 1. ,741 1. 00 0. 00
ATOM 1184 CG LEU 189 11. .301 -12. 996 2. ,876 1. 00 0. 00
ATOM 1185 HG LEU 189 11. ,897 -13. .806 2. .477 1. ,00 0. 00
ATOM 1186 QD1 LEU 189 12. ,147 -12. ,362 4. .428 1. ,00 0. 00
ATOM 1187 QD2 LEU 189 9. ,595 -13. ,669 3. .283 1. 00 0. 00
ATOM 1188 CD1 LEU 189 11. ,986 -12. ,484 4. ,132 1. 00 0. 00 319
ATOM 1189 1HD1 LEU 189 12 .905 -11 .986 3 .862 1, .00 0, .00
ATOM 1190 2HD1 LEU 189 12 .205 -13 .314 4 .786 1 .00 0, .00
ATOM 1191 3HD1 LEU 189 11 .333 -11 .788 4 .638 1 .00 0, .00
ATOM 1192 CD2 LEU 189 9 .922 -13 .541 3 .205 1 .00 0, .00
ATOM 1193 1HD2 LEU 189 9 .439 -13 .870 2 .297 1 .00 0, .00
ATOM 1194 2HD2 LEU 189 9 .330 -12 .765 3 .667 1 .00 0, .00
ATOM 1195 3HD2 LEU 189 10 .017 -14 .374 3 .885 1 .00 0, .00
ATOM 1196 QQD LEU 189 10 .871 -13 .016 3 .856 1 .00 0, .00
ATOM 1197 C LEU 189 12 .603 -12 .802 -0 .034 1 .00 0, .00
ATOM 1198 OT1 LEU 189 13 .067 -13 .898 0 .339 1 .00 0, .00
ATOM 1199 OT2 LEU 189 12 .244 -12 .569 -1 .210 1 .00 0, .00
TER
ENDMDL
MODEL 17
ATOM 1 N SER 124 7 .485 14 .146 3 .608 1 .00 0 .00
ATOM 2 CA SER 124 7 .748 14 .982 2 .411 1 .00 0 .00
ATOM 3 HA SER 124 6 .826 15 .116 1 .865 1 .00 0 .00
ATOM 4 CB SER 124 8 .259 16 .336 2 .897 1 .00 0 .00
ATOM 5 1HB SER 124 7 .708 17 .127 2 .409 1 .00 0 .00
ATOM 6 2HB SER 124 9 .311 16 .430 2 .661 1 .00 0 .00
ATOM 7 QB SER 124 8 .509 16 .778 2 .535 1 .00 0 .00
ATOM 8 OG SER 124 8 .089 16 .455 4 .304 1 .00 0 .00
ATOM 9 HG SER 124 8 .852 16 .911 4 .684 1 .00 0 .00
ATOM 10 C SER 124 8 .775 14 .315 1 .513 1, .00 0 .00
ATOM 11 O SER 124 8 .501 14 .007 0 .356 1, .00 0, .00
ATOM 12 1HT SER 124 7 .537 14 .736 4 .465 1, .00 0, .00
ATOM 13 2HT SER 124 8 .197 13 .390 3 .678 1, .00 0 .00
ATOM 14 3HT SER 124 6 .542 13 .717 3 .547 1, .00 0 .00
ATOM 15 N ASP 125 9 .948 14 .087 2 .079 1, .00 0 .00
ATOM 16 H ASP 125 10 .081 14, .353 3 .015 1, .00 0 .00
ATOM 17 CA ASP 125 11 .054 13 .440 1 .387 1, .00 0 .00
ATOM 18 HA ASP 125 11 .241 13 .966 0 .464 1, .00 0 .00
ATOM 19 CB ASP 125 12 .296 13 .502 2 .276 1, .00 0 .00
ATOM 20 1HB ASP 125 12 .940 14 .299 1 .937 1, .00 0 .00
ATOM 21 2HB ASP 125 12, .825 12 .562 2 .215 1, .00 0 .00
ATOM 22 QB ASP 125 12 .882 13 .430 2 .076 1, .00 0 .00
ATOM 23 CG ASP 125 11 .933 13 .757 3 .727 1, .00 0 .00
ATOM 24 OD1 ASP 125 11 .159 12 .954 4 .296 1, .00 0 .00
ATOM 25 OD2 ASP 125 12 .379 14 .778 4 .278 1, .00 0 .00
ATOM 26 C ASP 125 10 .711 11 .988 1 .088 1, .00 0 .00
ATOM 27 O ASP 125 10 .749 11 .547 -0 .060 1, .00 0 .00
ATOM 28 N ALA 126 10 .378 11 .254 2 .142 1 .00 0 .00
ATOM 29 H ALA 126 10 .377 11 .675 3 .031 1 .00 0 .00
ATOM 30 CA ALA 126 10 .025 9 .849 2 .022 1 .00 0 .00
ATOM 31 HA ALA 126 10 .774 9 .371 1 .407 1 .00 0 .00
ATOM 32 QB ALA 126 10 .047 9 .026 3 .713 1 .00 0 .00
ATOM 33 CB ALA 126 10 .043 9 .183 3 .390 1 .00 0 .00
ATOM 34 1HB ALA 126 10, .563 8, .239 3 .324 1. .00 0, .00
ATOM 35 2HB ALA 126 9, .029 9, .014 3 .720 1, .00 0, .00
ATOM 36 3HB ALA 126 10, .550 9 .825 4 .096 1, .00 0, .00
ATOM 37 C ALA 126 8, .662 9 .672 1 .367 1, .00 0, .00
ATOM 38 O ALA 126 7, .627 9, .706 2 .035 1, .00 0, .00
ATOM 39 N LEU 127 8, .674 9, .479 0 .058 1. .00 0, .00
ATOM 40 H LEU 127 9, .531 9 .463 -0 .409 1, .00 0, .00
ATOM 41 CA LEU 127 7, .453 9 .282 -0 .706 1, .00 0, .00
ATOM 42 HA LEU 127 6, .638 9 .170 -0 .010 1, .00 0, .00
ATOM 43 CB LEU 127 7, .193 10 .495 -1 .611 1, .00 0, .00
ATOM 44 1HB LEU 127 7, .666 10 .310 -2 .564 1, .00 0, .00
ATOM 45 2HB LEU 127 7, .662 11 .358 -1 .161 1, .00 0, .00
ATOM 46 QB LEU 127 7, .664 10 .834 -1 .863 1, .00 0, .00
ATOM 47 CG LEU 127 5, .718 10 .833 -1 .870 1, .00 0, .00
ATOM 48 HG LEU 127 5, .635 11 .888 -2 .091 1, .00 0, .00
ATOM 49 QD1 LEU 127 5, .061 9 .886 -3 .354 1, .00 0, .00
ATOM 50 QD2 LEU 127 4, .671 10 .477 -0 .347 1, .00 0, .00
ATOM 51 CD1 LEU 127 5, .187 10 .067 -3 .070 1, .00 0. .00
ATOM 52 1HD1 LEU 127 4, .121 10 .216 -3 .148 1, .00 0, .00
ATOM 53 2HD1 LEU 127 5, .396 9 .014 -2 .946 1, .00 0, .00
ATOM 54 3HD1 LEU 127 5, .667 10 .427 -3 .968 1, .00 0, .00
ATOM 55 CD2 LEU 127 4, .872 10 .546 -0 .638 1, .00 0. .00
ATOM 56 1HD2 LEU 127 5, .484 10 .627 0 .247 1, .00 0, .00
ATOM 57 2HD2 LEU 127 4, .466 9. .546 -0, .705 1. ,00 0. ,00
ATOM 58 3HD2 LEU 127 4. .062 11, .259 -0, .583 1. ,00 0. ,00 o as as Uι Ul ϊ. =. J OJ to to
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VD ω t rf* co o3 o3 o w oJ θ to σ. uι -^ θJ co μ rf* ω vo i ιi* μ μ ^ oo to σ^ rf* co vo σϊ -j w D μ uι μ cΛ tj μ vo o o co rf* to to oo μ o o oo vo ι to to co μ o oj uι θ co rf* uι θ J c» μ J n ι uι ^ rf* μ μ n cB ^ c ι uι vo co vD M ι^ to o ^ σ^ c o D t ι VD i rf-. rf:. ^ι l-j μ to o co oJ o to D o ω rf* to oj μ [o rι μ ω ι^ o to to ω w vo vD θ ∞ θj μ uι J rf^ ω μ .£> vo ιt to σϊ μ .H n uι vo ω ^j rfiι rfiι j μ o σ. o -J ι ι to μ μ θJ o 3h D μ o o t o o cn vo --J rf* U1 0J rf* o o
μ N θ rf* rf J M ι^ b w μ μ μ μ o o o μ μ μ μ oj w w o o o o t o to μ μ o o μ oj t μ w rfi θJ θJ W ι^ ω to t θD rf* o ^ w μ o ω ui rf^ ^ w μ o t vD θ J ι o ιt* VD i rf* μ ^ ch ^ θJ cn vD rf* cn to ^ w o cD CD iii iii ^ co si μ w tΛ ∞ w ^ iD μ oi o μ ω u ω si ^ w tø σi ^ o ^ ^ ω ω w to vo vo w ω w w to vD ιN> ω to rf* o ui i* μ rf* vo vD Ui VD μ o ι uι θ ιt* μ ω σ^ w uι rf* ^ o c» ri ω ι cn ri μμμμμμμμμriμμμμμμμμμμ! μμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμμ ooooooooooooooooo ooooooooooooo o o o o o o O O O O O O O OO O O O OO O O O O O O O O O O O ooooooooooooooooo ooooooooooooo o o o o o o O O OOO OO O O O OO O O O O OO OO OO O O O
O O O O O OO O O O O O O O O OO O O OO O OO O O O O O O OO OO OO OO OO OO O OO O O O O OO OO OO O O O O O O OO O O O O O O O O O
O O O O O O O OO O OO OOOOOO OOOOOOOOO OOOOO O OO OO O O O O O O O O O O oooooooo ooooooooooooo O O O O O O O O O O O O OO O O OO O O O O O O O O O O O OO O O O O OO O OO o o o o o o o oooooooo ooooooooooooo
365 -
ATOM 895 3HD2 LEU 172 -9 .039 10 .272 -1 .727 1 .00 0 .00
ATOM 896 QQD LEU 172 -7 .679 10 .052 -3 .196 1, .00 0, .00
ATOM 897 C LEU 172 -8, .825 8, .365 0 .530 1, .00 0. ,00
ATOM 898 O LEU 172 -9, .442 7, .596 -0 .204 1. .00 0. .00
ATOM 899 N PRO 173 -9, .282 8, .677 1, .757 1. ,00 0. .00
ATOM 900 CD PRO 173 -8, .640 9, .587 2, .718 1. ,00 0. .00
ATOM 901 CA PRO 173 -10 .527 8, .120 2 .288 1. .00 0, .00
ATOM 902 HA' PRO 173 -10 .507 7, .040 2 .285 1. .00 0, .00
ATOM 903 CB PRO 173 -10, .579 8, .633 3 .735 1. .00 0. .00
ATOM 904 1HB PRO 173 -10, .858 7, .823 4, .394 1. ,00 0. .00
ATOM 905 2HB PRO 173 -11 .308 9 .428 3 .808 1, .00 0, .00
ATOM 906 QB PRO 173 -11 .083 8 .626 4 .101 1, .00 0, .00
ATOM 907 CG PRO 173 -9 .202 9, .127 4 .031 1, .00 0, .00
ATOM 908 1HG PRO 173 -8 .602 8, .324 4 .435 1. .00 0, .00
ATOM 909 2HG PRO 173 -9, .249 9, .950 4, .730 1. .00 0. .00
ATOM 910 QG PRO 173 -8 .926 9, .137 4 .583 1, .00 0, .00
ATOM 911 1HD PRO 173 -7 .567 9 .473 2 .702 1, .00 0. .00
ATOM 912 2HD PRO 173 -8 .918 10 .614 2 .525 1, .00 0. .00
ATOM 913 QD PRO 173 -8 .243 10, .044 2 .614 1. .00 0, .00
ATOM 914 C PRO 173 -11 .746 8 .605 1 .510 1, .00 0 .00
ATOM 915 O PRO 173 -11 .892 9 .798 1 .242 1, .00 0, .00
ATOM 916 N CYS 174 -12 .619 7 .678 1 .152 1. .00 0, .00
ATOM 917 H CYS 174 -12 .453 6 .741 1 .396 1, .00 0, .00
ATOM 918 CA CYS 174 -13 .826 8 .021 0 .414 1 .00 0 .00
ATOM 919 HA CYS 174 -13 .808 9 .087 0 .235 1, .00 0 .00
ATOM 920 CB CYS 174 -13 .876 7 .291 -0 .925 1, .00 0, .00
ATOM 921 1HB CYS 174 -13 .211 7 .784 -1 .619 1, .00 0, .00
ATOM 922 2HB CYS 174 -14 .884 7 .334 -1 .310 1, .00 0, .00
ATOM 923 QB CYS 174 -14 .048 7 .559 -1 .464 1. .00 0, .00
ATOM 924 SG CYS 174 -13 .392 5, .538 -0 .843 1. .00 0, .00
ATOM 925 C CYS 174 -15 .060 7, .688 1 .236 1. .00 0, .00
ATOM 926 O CYS 174 -16, .113 8, .301 1 .075 1. .00 0. .00
ATOM 927 N GLY 175 -14 .915 6 .721 2 .128 1, .00 0, .00
ATOM 928 H GLY 175 -14 .044 6 .276 2 .220 1. .00 0, .00
ATOM 929 CA GLY 175 -16 .012 6, .326 2 .985 1, .00 0, .00
ATOM 930 1HA GLY 175 -16 .389 5, .369 2 .662 1. .00 0, .00
ATOM 931 2HA GLY 175 -16, .800 7, .063 2 .915 1. .00 0. .00
ATOM 932 QA GLY 175 -16, .595 6, .216 2 .789 1. ,00 0. .00
ATOM 933 C GLY 175 -15 .558 6 .221 4 .419 1, .00 0. .00
ATOM 934 O GLY 175 -14 .386 6 .453 4 .705 1, .00 0, .00
ATOM 935 N ILE 176 -16 .473 5, .866 5 .318 1. .00 0, .00
ATOM 936 H ILE 176 -17, .390 5, .691 5 .025 1. .00 0, .00
ATOM 937 CA ILE 176 -16 .138 5 .724 6 .734 1, .00 0, .00
ATOM 938 HA ILE 176 -15 .846 6 .695 7 .108 1, .00 0, .00
ATOM 939 CB ILE 176 -17 .344 5, .219 7 .559 1, .00 0, .00
ATOM 940 HB ILE 176 -17 .280 4, .143 7 .620 1, .00 0. .00
ATOM 941 QG2 ILE 176 -17, .276 5. .909 9 .310 1. .00 0, .00
ATOM 942 CG2 ILE 176 -17 .289 5 .777 8 .975 1, .00 0, .00
ATOM 943 1HG2 ILE 176 -16 .277 6 .076 9 .206 1, .00 0, .00
ATOM 944 2HG2 ILE 176 -17 .608 5, .017 9 .673 1. .00 0, .00
ATOM 945 3HG2 ILE 176 -17 .944 6, .632 9 .050 1. .00 0, .00
ATOM 946 CGI ILE 176 -18 .665 5 .605 6 .884 1, .00 0 .00
ATOM 947 1HG1 ILE 176 -18 .741 5 .093 5 .937 1, .00 0 .00
ATOM 948 2HG1 ILE 176 -18 .676 6, .672 6 .714 1. .00 0, .00
ATOM 949 QG1 ILE 176 -18 .709 5, .883 6 .326 1. .00 0, .00
ATOM 950 QD1 ILE 176 -20, .181 5. .173 7, .897 1. ,00 0. ,00
ATOM 951 CD1 ILE 176 -19. .889 5. .256 7, .702 1. 00 0. ,00
ATOM 952 1HD1 ILE 176 -19 .641 5, .288 8 .753 1. ,00 0. .00
ATOM 953 2HD1 ILE 176 -20, .226 4, .263 7, .442 1. ,00 0. ,00
ATOM 954 3HD1 ILE 176 -20, .675 5. .968 7, .496 1. ,00 0. .00
ATOM 955 C ILE 176 -14, .968 4. .754 6, .905 1. ,00 0. ,00
ATOM 956 O ILE 176 -13 .983 5, .062 7 .572 1. ,00 0. .00
ATOM 957 N ASP 177 -15 .081 3, .597 6 .260 1. ,00 0. ,00
ATOM 958 H ASP 177 -15, .882 3, .431 5 .727 1. ,00 0. .00
ATOM 959 CA ASP 177 -14, .033 2, .583 6, .293 1. ,00 0. .00
ATOM 960 HA ASP 177 -13, .163 3. .016 6. .770 1. 00 0. ,00
ATOM 961 CB ASP 177 -14 .479 1, .349 7 .085 1. ,00 0. .00
ATOM 962 1HB ASP 177 -15 .169 0, .775 6 .486 1. ,00 0. ,00
ATOM 963 2HB ASP 177 -14, .974 1, .670 7 .989 1. ,00 0. ,00
ATOM 964 QB ASP 177 -15, .072 1, .223 7, .238 1. 00 0. ,00
ATOM 965 CG ASP 177 -13 .317 0, .449 7 .473 1. ,00 0. ,00
ATOM 966 OD1 ASP 177 -13 .553 -0, .536 8 .198 1. ,00 0. .00
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^ ] oι tn s] m ^ u w θ vπ o ^ \o ω o Q σι ^ ω σι μ ω crι ιo σ\ fr ω o ιιι μ vD μ iD m μ ιo ^ m vi ιπ w σi [» w ω -j ιC. w t μ rfi vi o o ι o tιι ui 'o μ μ to to to co tn n ui
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O OO OO O O O O O O OO O O OO O O O O O O O O O OO OO O O O O OOO O OO O O OO O OO OO O O O O O O O O OO O O O O OO OO O O O O O O O O OO OO O O O O OO O O O O O O O O O O O O O OO O O O O O O O O O O O O O O OO O OO O O OO O O O O O O O O O O O O O O O O O O O O O
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- 367 -
ATOM 1039 CZ ARG+ 180 -12 .361 8 .858 -4 .738 1, .00 0 .00
ATOM 1040 NH1 ARG+ 180 -12 .727 8 .276 -5 .876 1 .00 0 .00
ATOM 1041 1HH1 ARG+ 180 -12 .404 7 .350 -6 .094 1 .00 0 .00
ATOM 1042 2HH1 ARG+ 180 -13 .317 8 .757 -6 .524 1 .00 0 .00
ATOM 1043 QH1 ARG+ 180 -12 .861 8 .054 -6 .309 1. .00 0 .00
ATOM 1044 NH2 ARG+ 180 -12 .764 10 .094 -4 .462 1 .00 0 .00
ATOM 1045 1HH2 ARG+ 180 -12 .473 10 .540 -3 .613 1 .00 0 .00
ATOM 1046 2HH2 ARG+ 180 -13 .358 10 .585 -5 .102 1 .00 0 .00
ATOM 1047 QH2 ARG+ 180 -12 .916 10 .563 -4 .357 1, .00 0 .00
ATOM 1048 C ARG+ 180 -6 .920 4 .754 -2 .423 1, .00 0 .00
ATOM 1049 O ARG+ 180 -6 .400 4 .337 -3 .451 1, .00 0 .00
ATOM 1050 N GLY 181 -6 .208 5 .181 -1 .391 1, .00 0 .00
ATOM 1051 H GLY 181 -6 .665 5 .506 -0 .585 1, .00 0 .00
ATOM 1052 CA GLY 181 -4 .761 5 .180 -1 .452 1, .00 0 .00
ATOM 1053 1HA GLY 181 -4 .396 6 .132 -1 .095 1, .00 0 .00
ATOM 1054 2HA GLY 181 -4 .460 5 .057 -2 .482 1, .00 0 .00
ATOM 1055 QA GLY 181 -4 .428 5 .595 -1 .788 1, .00 0 .00
ATOM 1056 C GLY 181 -4 .134 4 .079 -0 .631 1, .00 0 .00
ATOM 1057 O GLY 181 -4 .706 3 .628 0 .359 1, .00 0 .00
ATOM 1058 N VAL 182 -2 .949 3 .652 -1 .046 1, .00 0 .00
ATOM 1059 H VAL 182 -2 .552 4 .063 -1 .840 1 .00 0 .00
ATOM 1060 CA VAL 182 -2 .208 2 .601 -0 .360 1 .00 0 .00
ATOM 1061 HA VAL 182 -2 .520 2 .585 0, .677 1, .00 0 .00
ATOM 1062 CB VAL 182 -2 .455 1 .199 -0, .977 1, .00 0 .00
ATOM 1063 HB VAL 182 -1 .679 1 .016 -1, .708 1, .00 0 .00
ATOM 1064 QG1 VAL 182 -2 .331 -0 .130 0 .344 1, .00 0 .00
ATOM 1065 QG2 VAL 182 -4 .120 1 .097 -1, .850 1, .00 0 .00
ATOM 1066 CGI VAL 182 -2 .355 0 .125 0 .091 1, .00 0 .00
ATOM 1067 1HG1 VAL 182 -2 .281 0 .589 1 .064 1, .00 0 .00
ATOM 1068 2HG1 VAL 182 -1 .477 -0 .480 -0 .088 1. .00 0 .00
ATOM 1069 3HG1 VAL 182 -3 .235 -0 .500 0 .056 1, .00 0 .00
ATOM 1070 CG2 VAL 182 -3 .802 1 .116 -1 .684 1, .00 0 .00
ATOM 1071 1HG2 VAL 182 -4 .117 0 .085 -1 .739 1, .00 0 .00
ATOM 1072 2HG2 VAL 182 -3 .710 1 .519 -2 .682 1, .00 0 .00
ATOM 1073 3HG2 VAL 182 -4 .534 1 .687 -1 .131 1, .00 0 .00
ATOM 1074 QQG VAL 182 -3, .226 0, .484 -0, .753 1. .00 0, .00
ATOM 1075 C VAL 182 -0 .711 2, .899 -0, .421 1. .00 0, .00
ATOM 1076 O VAL 182 -0 .160 3, .119 -1, .499 1. .00 0 .00
ATOM 1077 N GLU 183 -0 .063 2, .901 0, .735 1. .00 0 .00
ATOM 1078 H GLU 183 -0 .563 2, .716 1. .564 1. .00 0, .00
ATOM 1079 CA GLU 183 1 .372 3 .165 0, .818 1. .00 0, .00
ATOM 1080 HA GLU 183 1 .777 3 .143 -0, .185 1. .00 0 .00
ATOM 1081 CB GLU 183 1 .627 4, .540 1, .435 1. .00 0 .00
ATOM 1082 1HB GLU 183 1 .672 5 .274 0, .643 1. .00 0 .00
ATOM 1083 2HB GLU 183 2 .579 4 .520 1, .946 1. .00 0 .00
ATOM 1084 QB GLU 183 2 .125 4 .897 1, .295 1. .00 0 .00
ATOM 1085 CG GLU 183 0 .570 4 .982 2, .431 1. .00 0 .00
ATOM 1086 1HG GLU 183 0 .200 4, .114 2, .955 1. .00 0 .00
ATOM 1087 2HG GLU 183 -0, .241 5. .454 1. .896 1. ,00 0. .00
ATOM 1088 QG GLU 183 -0, .021 4. .784 2, .426 1. .00 0. .00
ATOM 1089 CD GLU 183 1, .114 5. .962 3. .444 1. ,00 0, .00
ATOM 1090 OE1 GLU 183 2, .172 6, .569 3. .169 1. ,00 0, .00
ATOM 1091 OE2 GLU 183 0, .483 6, .125 4, .506 1. ,00 0. .00
ATOM 1092 C GLU 183 2, .045 2, .084 1, .654 1. ,00 0, .00
ATOM 1093 O GLU 183 2, .015 2, .123 2, .876 1. ,00 0, .00
ATOM 1094 N PHE 184 2, .611 1, .095 0. .995 1. ,00 0, .00
ATOM 1095 H PHE 184 2, .578 1, .090 0, .021 1. ,00 0, .00
ATOM 1096 CA PHE 184 3, .232 -0, .019 1, .697 1. ,00 0. .00
ATOM 1097 HA PHE 184 3, .105 0, .157 2, .752 1. ,00 0. .00
ATOM 1098 CB PHE 184 2, .525 -1, .329 1, .332 1. ,00 0. .00
ATOM 1099 1HB PHE 184 1, .646 -1, .439 1, .950 1. ,00 0, .00
ATOM 1100 2HB PHE 184 3, .194 -2, .155 1, .532 1. ,00 0. .00
ATOM 1101 QB PHE 184 2. .420 -1. ,797 1. ,741 1. 00 0. ,00
ATOM 1102 QD PHE 184 2. ,043 -1. .435 -0. ,282 1. 00 0. ,00
ATOM 1103 QE PHE 184 1. .329 -1. .632 -2. ,624 1. 00 0. ,00
ATOM 1104 QR PHE 184 1. .543 -1. .575 -1. ,922 1. 00 0. ,00
ATOM 1105 CG PHE 184 2. .094 -1. .425 -0. .116 1. 00 0. ,00
ATOM 1106 CD1 PHE 184 1. .051 -0. .651 -0. ,609 1. 00 0. .00
ATOM 1107 1HD PHE 184 0. .551 0. .045 0. ,048 1. 00 0. ,00
ATOM 1108 CE1 PHE 184 0. .647 -0. ,761 -1. ,926 1. 00 0. ,00
ATOM 1109 IHE PHE 184 -0. .165 -0. ,152 -2. .296 1. 00 0. ,00
ATOM 1110 CZ PHE 184 1. ,285 -1. ,647 -2. ,769 1. 00 0. ,00
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μ μ μ μμμ μμμ μμμ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ μ uι rf rf rf ι{* uι cn -*j cn cn *o -j vo co cD Vo to to μ μ μ μ o o o o tθ tf* to μ to μ μ vo o ω μ μ to μ vo o vo oo vo vo μ ri μ vo o vσ vo ri μ oj to vo to rf* co μ *o vo μ vo o co ch θ ι ω ω vD t* ri rf* o ^ D W OT θ3 ω ci] ω [i o oj t ω ι o3 ∞ μ t i θ3 ω ω rf* t ω D ^ ω σ\ o ω rf vo vo i ri μ σ. to oo to α> uι rf* vo σ. ri oo rf uι ω vo w m ^ ri i ιi* ι c o o w σ^ to ιE* ι uι t o uι i j ] α> J ω t to w uι uι D W Ui ι cΛ o rf* to σ. n μ H C Ui σ. O H W U] VO sl tO ri rf* vo to o vo ui oo ri o ch μ μ uι cn vD J θJ cn μ ^ uι co c» c» rf* rf* μ rf* J θJ αj ^ co o μ ^ ω o rf* μ to o to μ uι rf* uι VD Ui -o to vo to ui rf* to n ^-j rf^ OJ O ui VD to cn co μ co μ
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370
ATOM 53 2HD1 LEU 127 3. .800 11. .093 -0, .541 1, .00 0, .00
ATOM 54 3HD1 LEU 127 5. .034 12, .155 -1, .218 1. .00 0. .00
ATOM 55 CD2 LEU 127 4. .389 10, .334 -3, .110 1. .00 0. .00
ATOM 56 1HD2 LEU 127 4. .794 9. .720 -3, .901 1. .00 0. .00
ATOM 57 2HD2 LEU 127 4. .445 11. .374 -3, .397 1. ,00 0. ,00
ATOM 58 3HD2 LEU 127 3. .357 10. .064 -2. .938 1. ,00 0. ,00
ATOM 59 QQD LEU 127 4. ,480 10. .906 -1. .987 1. .00 0. ,00
ATOM 60 C LEU 127 7. ,588 7. .800 -1. .822 1. ,00 0. ,00
ATOM 61 O LEU 127 6, .569 7. .233 -2. .212 1, .00 0, .00
ATOM 62 N LEU 128 8. .788 7, .242 -1, .883 1. .00 0, .00
ATOM 63 H LEU 128 9. .563 7. .738 -1, .555 1. .00 0, ,00
ATOM 64 CA LEU 128 8. .980 5, .907 -2. .419 1. .00 0. ,00
ATOM 65 HA LEU 128 8. .036 5. .389 -2. .369 1. .00 0. ,00
ATOM 66 CB LEU 128 9. ,433 5. .988 -3. .882 1. .00 0. ,00
ATOM 67 1HB LEU 128 10. .512 5. .986 -3. .900 1. ,00 0. ,00
ATOM 68 2HB LEU 128 9 .085 6 .926 -4 .292 1 .00 0 .00
ATOM 69 QB LEU 128 9 .799 6 .456 -4 .096 1 .00 0 .00
ATOM 70 CG LEU 128 8 .934 4 .854 -4 .783 1 .00 0 .00
ATOM 71 HG LEU 128 8, .538 4 .056 -4 .169 1 .00 0, .00
ATOM 72 QD1 LEU 128 7, .545 5, .466 -5 .891 1, .00 0, .00
ATOM 73 QD2 LEU 128 10, .339 .161 -5 .821 1, .00 0, .00
ATOM 74 CD1 LEU 128 7, .811 5, .349 -5, .679 1, .00 0, .00
ATOM 75 1HD1 LEU 128 7, .225 4, .508 -6, .019 1, .00 0, .00
ATOM 76 2HD1 LEU 128 8 .230 5 .863 -6 .531 1 .00 0 .00
ATOM 77 3HD1 LEU 128 7 .180 6 .027 -5 .123 1 .00 0 .00
ATOM 78 CD2 LEU 128 10, .070 4 .293 -5 .622 1, .00 0 .00
ATOM 79 1HD2 LEU 128 10, .082 4 .784 -6 .584 1, .00 0, .00
ATOM 80 2HD2 LEU 128 9, .926 3 .232 -5, .760 1, .00 0, .00
ATOM 81 3HD2 LEU 128 11, .010 4, .467 -5, .119 1, .00 0, .00
ATOM 82 QQD LEU 128 8, .942 4, .813 -5, .856 1, .00 0, .00
ATOM 83 C LEU 128 9. .998 5, .156 -1, .566 1, .00 0. .00
ATOM 84 O LEU 128 10, .106 5, .421 -0, .370 1, .00 0, .00
ATOM 85 N VAL 129 10, .722 4 .220 -2 .182 1, .00 0, .00
ATOM 86 H VAL 129 10, .563 4 .065 -3 .135 1, .00 0, .00
ATOM 87 CA VAL 129 11 .733 3 -402 -1 .492 1, .00 0, .00
ATOM 88 HA VAL 129 11, .213 2 .664 -0, .901 1. .00 0, .00
ATOM 89 CB VAL 129 12, .627 2, .657 -2, .511 1, .00 0, .00
ATOM 90 HB VAL 129 13, .189 3, .395 -3, .068 1, .00 0. .00
ATOM 91 QG1 VAL 129 13, .856 1, .527 -1, .641 1. .00 0, .00
ATOM 92 QG2 VAL 129 11, .579 1, .678 -3, .728 1. .00 0. .00
ATOM 93 CGI VAL 129 13 .620 1 .743 -1 .808 1, .00 0, .00
ATOM 94 1HG1 VAL 129 14 .362 2 .342 -1 .298 1. .00 0, .00
ATOM 95 2HG1 VAL 129 14, .108 1 .112 -2 .536 1, .00 0, .00
ATOM 96 3HG1 VAL 129 13 .099 1 .128 -1, .089 1, .00 0, .00
ATOM 97 CG2 VAL 129 11, .779 1 .866 -3, .495 1, .00 0, .00
ATOM 98 1HG2 VAL 129 12, .075 2 .112 -4, .504 1, .00 0, .00
ATOM 99 2HG2 VAL 129 10, .738 2, .115 -3, .355 1. .00 0, .00
ATOM 100 3HG2 VAL 129 11. .924 0, .809 -3, .325 1. .00 0, .00
ATOM 101 QQG VAL 129 12 .718 1 .603 -2 .685 1, .00 0, .00
ATOM 102 C VAL 129 12 .627 4 .234 -0 .561 1, .00 0, .00
ATOM 103 O VAL 129 13 .416 5 .058 -1 .019 1, .00 0, .00
ATOM 104 N PRO 130 12 .495 4 .025 0, .766 1, .00 0, .00
ATOM 105 CD PRO 130 11, .568 3 .088 1, .396 1, .00 0. .00
ATOM 106 CA PRO 130 13, .271 4 .740 1, .776 1. .00 0. .00
ATOM 107 HA PRO 130 13. .440 5, .759 1, .493 1. .00 0, .00
ATOM 108 CB PRO 130 1 .364 4 .697 3 .020 1, .00 0, .00
ATOM 109 1HB PRO 130 12 .021 5 .697 3 .243 1, .00 0, .00
ATOM 110 2HB PRO 130 12 .928 4 .317 3 .860 1, .00 0, .00
ATOM 111 QB PRO 130 12 .475 5 .007 3, .551 1, .00 0, .00
ATOM 112 CG PRO 130 11, .214 3 .791 2, .679 1, .00 0, .00
ATOM 113 1HG PRO 130 10, .316 4 .380 2, .545 1. .00 0. .00
ATOM 114 2HG PRO 130 11, .070 3, .070 3, .470 1. .00 0. .00
ATOM 115 QG PRO 130 10, .693 3, .725 3, .007 1. ,00 0. .00
ATOM 116 1HD PRO 130 10 .689 2 .947 0 .785 1. .00 0, .00
ATOM 117 2HD PRO 130 12, .049 2 .142 1, .597 1, .00 0, .00
ATOM 118 QD PRO 130 11, .369 2 .544 1, .191 1, .00 0, .00
ATOM 119 C PRO 130 14, .617 4 .078 2, .063 1, .00 0. .00
ATOM 120 O PRO 130 15, .631 4, .415 1, .458 1. .00 0. .00
ATOM 121 N ASP 131 14 .605 3 .145 3 .002 1, .00 0. .00
ATOM 122 H ASP 131 13 -760 2 .945 3 .441 1, .00 0, .00
ATOM 123 CA ASP 131 15 .812 2 .422 3 .401 1 .00 0, .00
ATOM 124 HA ASP 131 16 .648 3 .102 3 .320 1 .00 0, .00
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PPPPPPPPPPPPPP P P P P ri ri P P P P P P P P P P ri P P P P P P P P P P P P H P P
^ cn cn cn cn cn cn cn cn cn cn ui u tπ [ji ^ di oi i ui ft ^ ft ft ft ft φ. ^ ft ri. ω ω vo ω ω ω ω ω ω L u u v to t cn uι rf-. UJ to p o vo co ^] cn uι rf-. to to ri o vo ω ^3 cn tπ rf-. to to o m ra -j σi ui ft u w μ o -i co cn ui ιi- w to p o vo co ^ι cn uι rf- to to p o vo cx] --ι cn ui rf-v to to p o vo co ^ι cn tπ ω to to to p t p to ri -p pp CP Cp aiP CP W PlP CP CP PP CP CP PlP CP CP n a p n coip cp cp p p CP a P p cp pp a pp c pip c pip p c ip c p n cp a p o p p ntp cp cp p
N N tj N N H M Cd w α α α α Ω Ω Ω Ω ω ro ω tD Ω ro ro ro ro NNNNNHMHMαOϋOΩΩΩΩBfflωM > o to α p Ω ω ro m a ι. |H |. t| ι. ι. tl t' P i. ir| t, |H iH |H |H |H iH t| P t, ι. P t, p n n n nn no n n n n iH |H |H |H p ι^ l-< ι^ κ! i^ ι; ι
+ + + + + + + + -t- -l- + -t- + + + + -r + -r + + -l- - -l- + + + + + + + + + + + + + + + + + + + + + + + + + + + +
P P P P P P P P P P P P P P P P P P P P P P P P P P P P P ri P P P P P P P P P P P P P P P P P P P P P P P P P P ri ri P P P P P P P P P P P P P P ω ω ω ω w ω ω w to uj w w ω ω to ω w ω ω ω ω v w o ω ω ω to w w ω ω ω to ω to ω ω uj ω ω ui w to ω ω ω ω co w w w w t > [. » ii t [. f. [> ιι ιι. * * [ι iι iι t ii » ιs ιs » t t * ij u u w u iιi a u u u ι. ι ι ι u u ι u ι to ιo M t ι M i ι M u iJ »J M U u u w ι M μ μ μ μ μ μ
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tn ijι ^ ιιι w oι oι m ^ oι ^ LJ W ^ to u ι ω u μ μ o o o o rfι u ω t u μ μ H w μ μ [jι tπ oι oι ιιι jι ijι U] rfι ijι oι ^ |i ^ ^ ji ^ u u u w μ w w w μ ϋ m ι uι tιι ι lι. f.
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372
ATOM 197 C LYS+ 134 8, .775 -0, .180 -0, .836 1. ,00 0. ,00
ATOM 198 O LYS+ 134 7, .808 -0, .831 -0, .462 1. ,00 0. ,00
ATOM 199 N PHE 135 8, .766 1, .138 -0, .922 1. ,00 0. ,00
ATOM 200 H PHE 135 9, .571 1, .605 -1, .224 1. ,00 0. ,00
ATOM 201 CA PHE 135 7, .586 1, .913 -0, .571 1. ,00 0. ,00
ATOM 202 HA PHE 135 6, .997 1. .331 0, .123 1. ,00 0. ,00
ATOM 203 CB PHE 135 8, .009 3. .219 0. .103 1. ,00 0. ,00
ATOM 204 1HB PHE 135 8, .465 3, .859 -0, ,639 1. ,00 0. ,00
ATOM 205 2HB PHE 135 8. .738 2. .997 0. .866 1. ,00 0. .00
ATOM 206 QB PHE 135 8, .602 3. .428 0. .113 1. ,00 0. .00
ATOM 207 QD PHE 135 6. .774 4. .081 0. ,826 1. ,00 0. ,00
ATOM 208 QE PHE 135 4. .976 5. .364 1. ,908 1. 00 0. ,00
ATOM 209 QR PHE 135 5, .514 4, .979 1, .583 1. ,00 0, .00
ATOM 210 CG PHE 135 6, .896 3, .993 0, .753 1. .00 0. .00
ATOM 211 GDI PHE 135 6, .971 5, .374 0, .850 1 . ,00 0, .00
ATOM 212 1HD PHE 135 7 .831 5 .888 0 .444 1, .00 0 .00
ATOM 213 CE1 PHE 135 5 .963 6 .097 1 .456 1, .00 0 .00
ATOM 214 IHE PHE 135 6 .034 7 .173 1 .526 1, .00 0 .00
ATOM 215 CZ PHE 135 4 .864 5 .443 1 .973 1, .00 0 .00
ATOM 216 HZ PHE 135 4 .072 6 .006 2 .450 1, .00 0, .00
ATOM 217 CE2 PHE 135 4 .778 4 .069 1 .883 1. .00 0 .00
ATOM 218 2HE PHE 135 3 .918 3 .555 2 .290 1, .00 0 .00
ATOM 219 CD2 PHE 135 5 .789 3 .351 1 .277 1. .00 0, .00
ATOM 220 2HD PHE 135 5 .716 2 .275 1 .209 1. .00 0, .00
ATOM 221 C PHE 135 6 .752 2 .197 -1 .808 1, .00 0, .00
ATOM 222 O PHE 135 7 .189 2, .908 -2 .715 1. .00 0, .00
ATOM 223 N LEU 136 5 .554 1, .637 -1, .835 1. .00 0, .00
ATOM 224 H LEU 136 5 .264 1, .083 -1 .075 1. .00 0, .00
ATOM 225 CA LEU 136 4 .649 1 .822 -2 .951 1, .00 0 .00
ATOM 226 HA LEU 136 5 .197 2 .303 -3 .747 1, .00 0 .00
ATOM 227 CB LEU 136 4 .100 0 .479 -3 .454 1, .00 0 .00
ATOM 228 1HB LEU 136 3 .381 0 .685 -4 .234 1. .00 0 .00
ATOM 229 2HB LEU 136 3 .580 0 .004 -2 .635 1, .00 0 .00
ATOM 230 QB LEU 136 3 .481 0 .344 -3 .435 1, .00 0 .00
ATOM 231 CG LEU 136 5 .131 -0 .519 -4 .009 1, .00 0 .00
ATOM 232 HG LEU 136 4 .649 -1 .146 -4 .745 1, .00 0, .00
ATOM 233 QD1 LEU 136 6 .564 0 .353 -4 .849 1. .00 0 .00
ATOM 234 QD2 LEU 136 5 .770 -1 .631 -2 .640 1, .00 0, .00
ATOM 235 CD1 LEU 136 6 .289 0 .188 -4 .690 1. .00 0 .00
ATOM 236 1HD1 LEU 136 6 .431 1 .160 -4 .242 1, .00 0, .00
ATOM 237 2HD1 LEU 136 6 .075 0 .300 -5 .741 1. .00 0, .00
ATOM 238 3HD1 LEU 136 7 .186 -0 .401 -4, .563 1. .00 0, .00
ATOM 239 CD2 LEU 136 5 .648 -1 .418 -2 .903 1, .00 0, .00
ATOM 240 1HD2 LEU 136 4 .816 -1 .776 -2 .314 1, .00 0 .00
ATOM 241 2HD2 LEU 136 6 .322 -0 .859 -2 .271 1, .00 0 .00
ATOM 242 3HD2 LEU 136 6 .171 -2 .257 -3 .335 1, .00 0 .00
ATOM 243 QQD LEU 136 6 .167 -0 .639 -3 .745 1, .00 0 .00
ATOM 244 C LEU 136 3 .503 2 .722 -2 .528 1, .00 0, .00
ATOM 245 O LEU 136 2 .429 2 .250 -2 .169 1, .00 0 .00
ATOM 246 N HIS+ 137 3 .746 4 .019 -2 .572 1, .00 0 .00
ATOM 247 H HlS-r 137 4 .627 4 .330 -2 .866 1, .00 0 .00
ATOM 248 CA HIS+ 137 2 .739 4 .999 -2 .201 1, .00 0 .00
ATOM 249 HA HIS+ 137 2 .044 4 .534 -1 .509 1. .00 0 .00
ATOM 250 CB HIS+ 137 3 .405 6 .212 -1 .534 1, .00 0 .00
ATOM 251 1HB HIS+ 137 4 .032 6 .704 -2 .260 1, .00 0 .00
ATOM 252 2HB HIS+ 137 4 .019 5 .868 -0 .714 1. .00 0, .00
ATOM 253 QB HIS+ 137 4 .026 6 .286 -1 .487 1. .00 0, .00
ATOM 254 CG HIS+ 137 2 .446 7 .230 -0 .987 1. .00 0, .00
ATOM 255 ND1 HIS+ 137 1 .577 7 .962 -1 .771 1, .00 0 .00
ATOM 256 CD2 HIS+ 137 2 .217 7 .623 0 .284 1, .00 0 .00
ATOM 257 1HD HIS+ 137 1 .499 7 .913 -2 .754 1, .00 0 .00
ATOM 258 CE1 HIS+ 137 0 .856 8 .756 -1 .000 1, .00 0 .00
ATOM 259 NE2 HIS+ 137 1 .221 8 .568 0 .257 1, .00 0 .00
ATOM 260 2HD HIS+ 137 2 .720 7 .254 1 .168 1, .00 0 .00
ATOM 261- IHE HIS+ 137 0 .092 9 .442 -1 .342 1, .00 0 .00
ATOM 262 2HE HIS+ 137 0 .664 8 .803 1 .035 1, .00 0 .00
ATOM 263 C HIS+ 137 2 .000 5 .439 -3 .453 1, .00 0, .00
ATOM 264 O HIS+ 137 2 .548 6 .182 -4 .270 1, .00 0, .00
ATOM 265 N GLN 138 0 .774 4 .971 -3 .620 1, .00 0 .00
ATOM 266 H GLN 138 0 .387 4 .369 -2 .944 1, .00 0 .00
ATOM 267 CA GLN 138 -0 .007 5 .325 -4 .796 1, .00 0 .00
ATOM 268 HA GLN 138 0 .414 6 .234 -5 .203 1, .00 0 .00
H H H H β. H H H3 H H ^ ^ H ri ^ H f-3 ^ ι-3 ^ ^ ^ H H t-3 H H H O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O
ω ω ω o ω w w w w ω w oj ω ω ω ω ω u oj w w ω ω ω ω ω ω oj ω oj w w w ω ω ω ω ω ω w w to to to rf* ω oJ W W w w ω o j ω to to ω t to ω to to ω to ri ri ri μ μ μ μ μ μ μ o o o o o o o o o o vD VD Vo vo vo vo vo vo vo vD co oD ω ∞ o vo m i [Λ Ui ^ w w μ o ω o sJ iΛ W ^ W W H θ tø co vi Λ W ^ W M μ o \o co s] m uι ^ u M H o ^ co [Λ iιπ ^
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ATOM 557 3HG1 VAL 153 -5, .234 -4 .803 -5 .295 1 .00 0 .00
ATOM 558 CG VAIi 153 -6 .311 -5 .141 -3 .116 1 .00 0 .00
ATOM 559 1HG2 VAL 153 -6 .662 -5 .018 -2 .101 1 .00 0 .00
ATOM 560 2HG2 VAL 153 -6 .438 -6 .172 -3 .416 1 .00 0 .00
ATOM 561 3HG2 VAL 153 -6 .881 -4 .503 -3 .773 1 .00 0 .00
ATOM 562 QQG VAL 153 -5 .500 -4 .832 -4 .037 1 .00 0 .00
ATOM 563 C VAL 153 -2 .512 -5 .434 -2 .532 1 .00 0 .00
ATOM 564 0 VAL 153 -1 .686 -5 .860 -3 .338 1 .00 0 .00
ATOM 565 N ABA 154 -2 .210 -4 .588 -1 .563 1 .00 0 .00
ATOM 566 H ALA 154 -2 .922 -4 .301 -0 .941 1 .00 0 .00
ATOM 567 CA ALA 154 -0 .858 -4 .087 -1 .371 1 .00 0 .00
ATOM 568 HA ALA 154 -0 .546 -3 .575 -2 .269 1 .00 0 .00
ATOM 569 QB ALA 154 -0 .835 -2 .871 0 .055 1 .00 0 .00
ATOM 570 CB ALA 154 -0 .840 -3 .104 -0 .218 1 .00 0 .00
ATOM 571 1HB ALA 154 -0 .261 -2 .235 -0 .497 1 .00 0 .00
ATOM 572 2HB ALA 154 -0, .393 -3 .572 0 .647 1, .00 0, .00
ATOM 573 3HB ALA 154 -1, .851 -2 .804 0 .016 1, .00 0, .00
ATOM 574 C ALA 154 0, .102 -5 .231 -1 .085 1, .00 0, .00
ATOM 575 O ALA 154 1, .136 -5, .375 -1 .741 1, .00 0, .00
ATOM 576 N LYS+ 155 -0, .255 -6, .043 -0 .097 1, .00 0, .00
ATOM 577 H LYS+ 155 -1, .097 -5 .867 0 .380 1, .00 0 .00
ATOM 578 CA LYS+ 155 0, .555 -7, .185 0 .297 1, .00 0, .00
ATOM 579 HA LYS+ 155 1, .523 -6 .817 0 .619 1, .00 0, .00
ATOM 580 CB LYS+ 155 -0, .120 -7 .932 1 .455 1, .00 0, .00
ATOM 581 1HB LYS+ 155 -1, .140 -8 .152 1 .171 1, .00 0, .00
ATOM 582 2HB LYS+ 155 -0, .134 -7 .289 2 .321 1, .00 0, .00
ATOM 583 QB LYS+ 155 -0, .637 -7 .721 1 .746 1. .00 0, .00
ATOM 584 CG LYS+ 155 0, .556 -9 .239 1 .843 1, .00 0, .00
ATOM 585 1HG LYS+ 155 1, .117 -9 .085 2 .754 1, .00 0, .00
ATOM 586 2HG LYS+ 155 1, .226 -9 .538 1 .051 1, .00 0, .00
ATOM 587 QG LYS+ 155 1, .172 -9 .312 1 .902 1, .00 0, .00
ATOM 588 CD LYS+ 155 -0, .468 -10 .343 2 .073 1, .00 0, .00
ATOM 589 1HD LYS+ 155 -1, .447 -9 .896 2 .187 1, .00 0, .00
ATOM 590 2HD LYS+ 155 -0, .210 -10 .878 2 .975 1, .00 0, .00
ATOM 591 QD LYS+ 155 -0, .828 -10 .387 2 .581 1, .00 0, .00
ATOM 592 CE LYS+ 155 -0, .509 -11 .327 0 .913 1, .00 0, .00
ATOM 593 IHE LYS+ 155 -0, .628 -10 .773 -0 .009 1, .00 0, .00
ATOM 594 2HE LYS+ 155 -1, .355 -11 .987 1 .045 1. .00 0. .00
ATOM 595 QE LYS+ 155 -0, .991 -11 .380 0 .518 1, .00 0, .00
ATOM 596 NZ LYS+ 155 0, .736 -12 .142 0 .836 1, .00 0, .00
ATOM 597 1HZ LYS+ 155 0, .593 -12 .952 0 .200 1. .00 0, .00
ATOM 598 2HZ LYS+ 155 0, .996 -12 .496 1 .778 1, .00 0, .00
ATOM 599 3HZ LYS+ 155 1, .527 -11 .561 0 .465 1, .00 0, .00
ATOM 600 QZ LYS+ 155 1, .039 -12 .337 0 .814 1. .00 0. .00
ATOM 601 C LYS+ 155 0, .758 -8 .120 -0 .880 1, .00 0. .00
ATOM 602 O LYS+ 155 1, .883 -8 .510 -1 .163 1. .00 0, .00
ATOM 603 N GLU 156 -0, .331 -8 .474 -1 .553 1. .00 0. .00
ATOM 604 H GLU 156 -1, .209 -8 .124 -1 .268 1, .00 0, .00
ATOM 605 CA GLU 156 -0, .270 -9, .367 -2 .701 1, .00 0. .00
ATOM 606 HA GLU 156 0, .109 -10 .316 -2 .354 1. .00 0, .00
ATOM 607 CB GLU 156 -1, .661 -9 .582 -3 .287 1, .00 0. .00
ATOM 608 1HB GLU 156 -1, .566 -9 .906 -4 .313 1. .00 0, .00
ATOM 609 2HB GLU 156 -2, .202 -8 .647 -3 .261 1. .00 0, .00
ATOM 610 QB GLU 156 -1, .884 -9 .277 -3 .787 1. .00 0. .00
ATOM 611 CG GLU 156 -2, .471 -10 .622 -2 .530 1. .00 0. .00
ATOM 612 1HG GLU 156 -2, .270 -10, .522 -1 .475 1. .00 0. .00
ATOM 613 2HG GLU 156 -2, .173 -11 .604 -2 .862 1. .00 0. .00
ATOM 614 QG GLU 156 -2, .221 -11 .063 -2 .169 1. .00 0, .00
ATOM 615 CD GLU 156 -3, .959 -10 .472 -2 .753 1. .00 0. .00
ATOM 616 OE1 GLU 156 -4, .694 -11 .441 -2 .482 1. .00 0. .00
ATOM 617 OE2 GLU 156 -4, .387 -9 .385 -3 .190 1. .00 0. .00
ATOM 618 C GLU 156 0, .681 -8 .834 -3 .762 1. .00 0. .00
ATOM 619 O GLU 156 1, .528 -9 .573 -4 .240 1. ,00 0. .00
ATOM 620 N THR 157 0, .555 -7, .555 -4 .107 1. ,00 0. .00
ATOM 621 H THR 157 -0, .141 -7 .008 -3 .676 1. .00 0. .00
ATOM 622 CA THR 157 1, .437 -6, .941 -5 .104 1. .00 0. .00
ATOM 623 HA THR 157 1, .254 -7 .431 -6 .050 1. .00 0. .00
ATOM 624 CB THR 157 1, .120 -5, .446 -5 .249 1. ,00 0. .00
ATOM 625 HB THR 157 1. .378 -4. .941 -4. .328 1. 00 0. .00
ATOM 626 QG2 THR 157 2. .051 -4. .609 -6, .646 1. 00 0. ,00
ATOM 627 OG1 THR 157 -0. .260 -5. .250 -5, .495 1. 00 0. 00
ATOM 628 1HG THR 157 -0. .770 -5. .528 -4. .722 1. 00 0. 00
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ATOM 867 2HD1 LEU 171 -3 .789 9, .265 -0, .442 1, .00 0, .00
ATOM 868 3HD1 LEU 171 -2 .167 8, .611 -0 .674 1, .00 0, .00
ATOM 869 CD2 LEU 171 -2 .083 6, .749 1 .044 1, .00 0, .00
ATOM 870 1HD2 LEU 171 -1 .267 7, .117 0 .440 1, .00 0, .00
ATOM 871 2HD2 LEU 171 -2 .324 5 .740 0 .747 1, .00 0 .00
ATOM 872 3HD2 LEU 171 -1 .791 6 .759 2 .085 1, .00 0 .00
ATOM 873 QQD LEU 171 -2 .309 7 .852 0 .480 1, .00 0 .00
ATOM 874 C LEU 171 -6 .296 7 .419 1 .761 1, .00 0 .00
ATOM 875 O LEU 171 -6 .930 6 .468 1 .305 1, .00 0 .00
ATOM 876 N LEU 172 -6 .594 8 .702 1 .517 1, .00 0 .00
ATOM 877 H LEU 172 -6 .030 9 .394 1 .921 1, .00 0 .00
ATOM 878 CA LEU 172 -7 .721 9 .122 0 .672 1, .00 0 .00
ATOM 879 HA LEU 172 -7 .894 10, .171 0 .859 1. .00 0 .00
ATOM 880 CB LEU 172 -7 .389 8 .939 -0 .815 1, .00 0 .00
ATOM 881 1HB LEU 172 -8 .236 8 .461 -1 .287 1 .00 0 .00
ATOM 882 2HB LEU 172 -6 .538 8, .279 -0, .900 1, .00 0, .00
ATOM 883 QB LEU 172 -7 .387 8, .370 -1, .094 1. .00 0, .00
ATOM 884 CG LEU 172 -7 .086 10, .230 -1, .580 1, .00 0, .00
ATOM 885 HG LEU 172 -7 .888 10, .935 -1, .417 1, .00 0, .00
ATOM 886 QD1 LEU 172 -5 .491 11, .013 -0 .966 1. .00 0, .00
ATOM 887 QD2 LEU 172 -6 .976 9, .890 -3 .426 1, .00 0, .00
ATOM 888 CD1 LEU 172 -5 .797 10, .863 -1 .083 1, .00 0, .00
ATOM 889 1HD1 LEU 172 -5 .986 11 .888 -0 .800 1, .00 0, .00
ATOM 890 2HD1 LEU 172 -5, .057 10, .838 -1, .870 1. ,00 0. .00
ATOM 891 3HD1 LEU 172 -5, .432 10. .314 -0, .228 1. .00 0. .00
ATOM 892 CD2 LEU 172 -6, .998 9, .955 -3, .072 1. ,00 0, .00
ATOM 893 1HD2 LEU 172 -6, .008 10, .204 -3. .426 1. .00 0. .00
ATOM 894 2HD2 LEU 172 -7, .727 10, .557 -3. .593 1. .00 0. .00
ATOM 895 3HD2 LEU 172 -7, .193 8, .910 -3, .259 1. .00 0, .00
ATOM 896 QQD LEU 172 -6 .233 10, .452 -2, .196 1. .00 0. .00
ATOM 897 C LEU 172 -8, .999 8, .356 0, .999 1. .00 0, .00
ATOM 898 O LEU 172 -9 .355 7, .418 0, .296 1. .00 0, .00
ATOM 899 N PRO 173 -9 .716 8, .740 2, .062 1. .00 0, .00
ATOM 900 CD PRO 173 -9 .391 9, .854 2. .969 1. .00 0, .00
ATOM 901 CA PRO 173 -10 .955 8, .059 2, .439 1. .00 0, .00
ATOM 902 HA PRO 173 -10 .774 7, .012 2, .644 1. .00 0, .00
ATOM 903 CB PRO 173 -11 .393 8, .771 3, .723 1. .00 0, .00
ATOM 904 1HB PRO 173 -11 .108 8, .180 4, .581 1. .00 0, .00
ATOM 905 2HB PRO 173 -12 .465 8, .904 3. .713 1. .00 0, .00
ATOM 906 QB PRO 173 -11 .786 8, .542 4, .147 1. .00 0. .00
ATOM 907 CG PRO 173 -10 .682 10, .084 3, .706 1. .00 0, .00
ATOM 908 1HG PRO 173 -10 .483 10, .406 4, .718 1. .00 0, .00
ATOM 909 2HG PRO 173 -11 .282 10, .819 3, .190 1, .00 0, .00
ATOM 910 QG PRO 173 -10 .882 10, .612 3 .954 1, .00 0, .00
ATOM 911 1HD PRO 173 -8 .607 9, .574 3, .657 1. .00 0, .00
ATOM 912 2HD PRO 173 -9 .112 10 .736 2 .412 1. .00 0, .00
ATOM 913 QD PRO 173 -8 .859 10, .155 3, .034 1, .00 0, .00
ATOM 914 C PRO 173 -12 .030 8, .179 1, .360 1. ,00 0. .00
ATOM 915 O PRO 173 -12 .113 9, .183 0, .652 1. ,00 0. .00
ATOM 916 N CYS 174 -12 .845 7, .145 1. .237 1. ,00 0. .00
ATOM 917 H CYS 174 -12 .725 6, .371 1, .830 1. .00 0, .00
ATOM 918 CA CYS 174 -13, .913 7, .123 0, .246 1. ,00 0. .00
ATOM 919 HA CYS 174 -13 .920 8. .079 -0. .256 1. .00 0. .00
ATOM 920 CB CYS 174 -13 .660 6. .021 -0, .779 1. .00 0, .00
ATOM 921 1HB CYS 174 -14 .025 5, .085 -0, .384 1. ,00 0, .00
ATOM 922 2HB CYS 174 -12 .598 5, .942 -0, .956 1. ,00 0. .00
ATOM 923 QB CYS 174 -13 .311 5, .513 -0. .670 1. ,00 0. .00
ATOM 924 SG CYS 174 -14 .469 6, .297 -2, .389 1. ,00 0, .00
ATOM 925 C CYS 174 -15 .262 6. .909 0, .919 1. ,00 0, .00
ATOM 926 O CYS 174 -16 .300 7, .315 0, .403 1. ,00 0, .00
ATOM 927 N GLY 175 -15 .234 6, .272 2. .078 1. ,00 0, .00
ATOM 928 H GLY 175 -14 .372 5, .976 2, .445 1. ,00 0, .00
ATOM 929 CA GLY 175 -16 .451 6, .016 2, .820 1. .00 0. .00
ATOM 930 1HA GLY 175 -16 .884 5, .088 2, .482 1. .00 0. .00
ATOM 931 2HA GLY 175 -17 .150 6, .820 2, .645 1. ,00 0, .00
ATOM 932 QA GLY 175 -17 .017 5, .954 2, .563 1. .00 0. .00
ATOM 933 C GLY 175 -16 .170 5, .920 4, .297 1. .00 0. .00
ATOM 934 O GLY 175 -15 .109 6, .345 4, .746 1. .00 0. .00
ATOM 935 N ILE 176 -17, .105 5. .352 5. .050 1. .00 0. .00
ATOM 936 H ILE 176 -17, .925 5. .024 4. .629 1. 00 0. .00
ATOM 937 CA ILE 176 -16. ,931 5. ,192 6. .489 1. 00 0. 00
ATOM 938 HA ILE 176 -16. ,791 6. .172 6. .922 1. 00 0. 00 -J σv OS Ui Ul OJ to to
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