CA2282357A1 - Method of determining protein-ligand interactions via computer modeling - Google Patents

Abstract

Disclosed is a method of determining receptor-ligand affinities by constructing a receptor protein model, placing a ligand into the binding pocket portion of the receptor protein model, calculating the protein-ligand interaction energies and then predicting the ligand binding affinity for the receptor protein from a mathematical equation. This method provides for a way of determining receptor binding affinities of potential ligand molecules without the need of actually preparing these molecules in a laboratory and testing them by in vitro receptor binding assays. Such determinations are useful for identifying potential ligands of receptors for use in studying receptor binding, in studying receptor activities, as potential modulators of receptor activity, and as actual or lead compunds useful as therapeutics which modulate receptor activity.

Description

WO 98/3808 PCTlUS98103951 METHOD OF DETERMINING PROTEIN-LIGAND
INTERACTIONS VIA COMPUTER MODELING
- - BACKGROUND OF THE INVENTION
The present invention generally relates to the field of protein topographical models and specifically to the use of receptor protein topographical models to determine the affinity of ligands for the modelled receptor protein.
Current knowledge of protein secondary structures and the factors governing the stability of such structures indicates that large complex proteins are composed of separate and essentially independent domains, which fold according to factors inherent in the amino acid sequence of the separate domains. Thus domains of proteins that are evolutionarily, but not functionally related, can fold into shapes that are topographically similar (Sonnhammer and Kahn, Protein Sci. 3:482-492 (1994)).
The folding patterns of the protein backbone of bacterial periplasmic binding proteins reveal a surprising similarity in the topography of the protein structures. They all exhibit a bilobic architecture. Generally the topography of the individual lobes follows the same design wherein the protein sequence forms alternatively /3-strand and a-helical arrays which are arranged in opposing directions. Each lobe is formed by a central parallel stranded (3-sheet at its core and a series of a-helical sequences surrounding the central core. The ligand binding site within these proteins is formed by the upper surface of lobe I and the lower surface of lobe II. This architecture can be seen in leucine/alanine/ornithine-binding protein (LAOBP; Oh et al., J. Biol.
Chem. 268:11384-11355 (1993)), arabinose-binding protein (ABP;
Quiocho and Vyas, Nature 310:381 (1984)), galactose-binding protein (GBP; Vyas et al., Science 242:1290-1295 (1988); Mowbray et al., Receptor 1:41-54 ( I990)), maltose-binding protein (MBP; 5purlino et al. , J. Biol. Chem. 266:5202-5219 (1991)), and sulfate-binding protein (SBP;
Pflugrath and Quiocho, J. Mol. Biol. 200:163-180 (1988)). The location SUBSTITUTE SHEET (RULE 26) of the ligand binding site places the ligand in contact with the loop regions of the proteins which connect the highly conserved ~i-strands_and a-helices. Analogous loop regions are seen to interact with the bound ligand in afl-the structures of these bacterial periplasmic binding proteins.
Two theories may be proposed to rationalize such topographical similarities inherent in this family of proteins. If all such bacterial periplasmic binding proteins were evolutionarily derived from common ancestral proteins it would be expected that the functional binding pockets were conserved throughout the process of evolution. Consequently it should not be surprising that the ligand binding site for ligands as diverse as sugars, amino acids and polyanionic oxyanions would share the same topographical features and only differ in the protein side chains presented to the iigands. Alternatively, it may be argued that these proteins are not derived from a common ancestor, but instead have evolved to a common topography which is unusually efficient in the binding of individual ligands.
Irrespective of the evolutionary driving force, the topographical features which form the ligand binding pocket in periplasmic binding proteins are very highly conserved. Furthermore, these same features can be identified in a range of ligand binding sites from other families of proteins. The mononucleotide binding pocket, which is common to a large family of kinases and phosphatases, has been often recognized in an uncharacterized protein by the presence of two amino acid sequences known as the Walker A and B motifs (Walker et al., EMBO J. 1:945-951 (1982); Hasemann et al., Structure 4:1017-1029 (1996)). These motifs are highly conserved amino acid sequences which are directly involved in the binding of the mononucleotide ligand. The location of these motifs within such proteins is consistent with the topography of the bacterial periplasmic binding protein ligand binding site, suggestive of a topographical similarity within these families of proteins.
Additionally, recent work by Quiocho has shown that the family of DNA repressor proteins exemplified in the Lac repressor and the Gal SUBSTITUTE SHEET (RULE 26) r , , repressor have essentially topographically identical repressor ligand binding sites to the sugar binding variants of the bacterial periplasmic binding proteins. This comparison has recently been verified by . crystallographic analysis of these proteins both with and without bound repressor ligands. Indeed, not only are the binding sites in these proteins highly comparable, but the mechanism of action of the individual proteins is essentially the same (ligand binding may either induce or inhibit a closing of the bilobic structure in a manner that has been compared to a "Venus Fly-trap"; Quiocho, Phil. Traps. R. Soc. Lond. B 326:341-351 (1990)).
It has been suggested that the ligand binding domain of the metabotropic glutamate receptors (mGluRl-9), a family of G-protein coupled membrane bound receptors, is comparable to the topography of the bacterial periplasmic binding protein leucine/isoleucine/valine binding protein (LIVBP); O'Hara et al., Neuron 11:41-52 (1993). A detailed model of the ligand binding domain of mGluR1 has recently been proposed in O'Hara et al. based upon the known structural coordinates of LIVBP.
These correlations are strong evidence for evolutionary derivation of these families of proteins from a common parent, (Figure 1).
Employing a similar comparative approach to that outlined above, Nakanishi (Nakanishi et al. , Neuron 5:569 ( 1990)) was the first to suggest that the ionotropic glutamate receptor proteins, even though much larger and more complex, may share the same topography of the ligand binding site as the bacterial periplasmic binding proteins. He suggested that the ionotropic glutamate receptor proteins are part of a much larger family of ligand-gated ion channel proteins comprising the nicotinic acetylcholine, 'y-aminobutyric acid, glycine, and serotonin receptor proteins. Additional invertebrate derived ligand-gated ion channels, such as the invertebrate glutamate receptors, probably share a common topography with the vertebrate analogs.
Extensive analysis of the crystal structures of the bacterial periplasmic binding proteins allowed through comparison of these SUBSTITUTE SHEET (RULE 26) i~VO 98/38208 PCT/US98/03951 structures to be made by Quiocho (Quiocho, Curr. Opin. Struct. Biol.
1:922 (1992); Phil. Traps R. Soc. Lond. B 326:341-351 (1990)).
Although the sequence identity of this family -of proteins is not necessarily high (often-less than 30 % ) and the endogenous ligands are highly varied (sugars, cationic amino acids, neutral amino acids and polyanionic oxyanions such as sulfate), the proteins exhibit a common topographic frame work around which the binding domain structure is built. The ligand binding site in all members of this family of proteins is formed from the analogous "loop" regions of the protein between common /3-strands and a-helices. Remarkably, the preferred ligand varies considerably but the location of the binding site does not.
Excitatory neuronal transmission within the central nervous system (CNS) is mediated predominantly by ion flux through a family of canon selective ion channel complexes gated by the neurotransmitter L-glutamate.
Subclassification of these protein complexes, based upon the pharmacological properties of a series of natural and unnatural agonists (Figure 2), has shown the family to be divided into two major subtypes:
the N-methyl-(D)-aspartate (NMDA) receptors (NRl and NR2) and the non-NMDA receptors. The latter group may be further divided into those specifically activated by 2(S)-amino-3-(5'-methyl-3'-hydroxyisoxazoline)-propionic acid (AMPA) (AMPA receptors, GluR1-4) and those preferentially activated by kainic acid (KA receptors, GluRS-7, KA1 and KA2; Sommer and Seeburg, Trends in Pharmacol. Sci. 13:291-296 ( 1992)) .
Compounds which inhibit NMDA and AMPA receptors have been shown to be effective neuroprotectants under conditions of ischemic insult and additionally have potential in the treatment of conditions such as stoke, head trauma and epilepsy . Compounds which modulate the tcalnate receptor may be useful for the treatment of neuropathic pain. Efforts to find NMDA receptor antagonists and Mockers which are neuroprotective in animal models have been very successful while efforts to find AMPA or KA antagonists, have been much less successful. A number of SUBSTITUTE SHEET (RULE 26) pharmaceutical companies have pursued clinical development of ion channel blockers or full antagonists of the NMDA, AMPA and kainate receptors to protect against both chronic and acute- neurodegenerative processes. -Although, several compounds have entered clinical trails there has been only limited progress in~developing a clinically useful NMDA or AMPA receptor antagonist because the compounds exhibit severe side effects ranging from hallucinations and loss of coordination, to neuronal damage, memory impairment, learning disability and nephrotoxicity.
There still exists a need to find new compounds which can safely inhibit the function of NMDA, AMPA, or KA receptors. Key to the search for new compounds is determining which structures bind to which receptor and their binding affinity for that receptor.
Recently Nakanishi (Nakanishi et al., Neuron 5:569 (1990)) suggested that the general topography of the agonist ligand binding site of ionotropic glutamate receptors is homologous to that of the bacterial periplasmic binding proteins. Many examples of these proteins have been analyzed by X-ray crystallography both with and without associated ligands. Actual comparison of the amino acid sequences of ionotropic glutamate receptors and the lysinelarginine/ornithine binding protein (LAOBP) shows a very low level of both sequence similarity (less than 30%) and identity (less than 15%) within the identified regions. Following Nakanishi's work, Stern-Bach et al. (Stern-Bach et al., Neuron 13:1345 (1994)) concluded from a series of experiments involving GluR3/GluR6 chimeric proteins that the ligand binding domains of these proteins are topographically similar to the periplasmic binding protein LAOBP. A
detailed study of chimeric GluR3/GluR6 receptors revealed a pattern of amino acid sequences which was shown to drive the AMPA/KA selectivity of these proteins. This pattern of sequences could be overlaid onto the known binding site of LAOBP, leading the authors to speculate that the agonist binding domain of the glutamate receptors and LAOBP display homologous tertiary structures. Construction of a simple homology model of this portion of the AMPA receptor, based upon the crystal structure of SUBSTITUTE SHEET (RULE 26) LAOBP, generated a bilobic cartoon-like model of the agonist binding domain. The significance of this effort is diminished by key inaccuracies in the glutamate receptor sequences employed in the comparison with LAOBP. Sutcliffe {Sutcliffe et al., Biophysical J. 70:1575 (1996)) has recently proposed a different alignment of the related KA receptors with LAOBP, and has constructed the analogous homology model. Sutcliffe suggested a highly novel glutamate binding mode for the NMDA receptor but did not show any details of the,binding mode for glutamate and further did not suggest a predictive model for glutamate binding.
It is therefore an object of the present invention to provide a method of building a predictive binding protein model based on topographical similarity to a binding protein of known structure.
It is also and object of the present invention to provide a method of predicting the affinity of a potential ligand molecule for a binding protein.
It is also an object of the present invention to provide a method of predicting the selectivity of a potential ligand molecule for a family of related binding proteins in order to reduce unwanted side effects.
BRIEF SUN)~VIARY OF THE INVENTION
Disclosed is a method of determining receptor-ligand affinities by constructing a receptor protein model, placing a ligand into the binding pocket portion of the receptor protein model, calculating the protein-ligand interaction energies and then predicting the ligand binding affinity for the receptor protein from a mathematical equation. This method provides a way of determining receptor binding affinities of novel molecules without the need of actually preparing these molecules in a laboratory and testing them by in vitro receptor binding assays. Such determinations are useful for identifying novel receptor ligands, and actual or lead compounds useful as therapeutics which modulate receptor activity.
Specific examples of the disclosed method are provided. In one embodiment, a method is provided that allows the prediction of Iigand SUBSTITUTE SHEET (RULE 26) r , binding affinities to receptor proteins that contain bacterial amino acid periplasmic protein topographical binding domains. In another embodiment, a method is provided that allows the prediction of ligand binding affinities to receptor proteins that contain LAOBP topographical binding domains. In another embodiment, a method is provided that allows the prediction of NMDA, AMPA and KA receptor ligand binding affinities. The disclosed method allows such predictions by describing a protein topographical model of the ligand binding pocket of each receptor, building a predictive equation of binding affinity based upon a known basis set of molecules, placing a novel ligand in the pocket, calculating the energies of the bound and unbound protein and ligand, and fitting the results to a predictive equation.
In a preferred mode, the disclosed method is a computer based method for predicting the binding affinity of actual or potential ligand molecules to receptor proteins. Preferably, this can be accomplished by:
(1) building a model of a protein-ligand binding domain (also referred herein to as a ligand binding pocket) based upon the similarity of the receptor protein structural topography to bacterial amino acid periplasmic binding proteins, (2) refinement of the protein-ligand binding domain model by energy minimization of the protein with a high affinity ligand in the binding pocket (the resulting protein-ligand binding domain model is also referred to herein as the receptor protein model), (3) calculating a series of interaction energies (E;~~r~~ by calculating the energies of the receptor protein model (E~ror) and basis set molecules (Emomle) individually, and the total energies of the individual bound complexes formed from the protein and basis set molecules (Erecepror+molecule) ~ as shown in equation 1, Einuract - Ereceptor+molecule - (Ereeepror + Emolecule) (Eq ~ 1 ) SUBSTITUTE SHEET (RULE 26) (4) generating a predictive equation, such as equation 2, by doing a regression analysis on the basis set, _ Ligand Affinity = -xE;"~~« + yMol.Charc.,;~;,d - - zMol.Charc.,;g~,d + N (Eq. 2) where Mol.Charc.,;ga"d is a molecular characteristic and x, y, z, and N are the regression parameters, (5) calculating the interaction energy (E;~,~«~*) for a potential ligand molecule by calculating energies of the receptor protein model (E~,~~) and potential ligand molecule (Emo;a";e*) individually and the energy of the individual bound complex formed from the protein and the potential ligand molecule (E~~~o~+mo,a~a*), as shown in equation 3, and E;~~~ = Er~~o~+mom~e - (E~~~o~ + Emam~e ) (Eq. 3) (6) fitting the data for the difference in the energies (E;~~e~~*) and other molecular characteristics such as, molecular volume and number of rotatable bonds to the predictive equation, equation 2.
It is specifically contemplated that where a model of a protein-ligand binding domain already exists, or where such a model has been built in a different manner or from different information than in the first step above, the method can be practiced by performing remaining steps {for example, steps 2 through 6 above) using such a model. It is also specifically contemplated that once a predictive equation has been generated for a given protein-iigand binding domain model (using, for example, steps 1 through 4, or 2 through 4, above), the method can be practiced by performing the remaining steps (for example, steps 5 and 6 above) using the predictive equation and the model. It is also specifically contemplated that the various steps of any of the modes in the disclosed method need not be performed in any specific time frame to constitute practice of the disclosed method. Thus, for example, the various steps can be performed at different times and in different locations while still collectively constituting practice of the method.
Without being limited to any particular theory, the disclosed method is based in part on the realization that, while the overall SUBSTITUTE SHEET (RULE 26) r , , ..

topography of complete ligand-gated ion channel proteins is known to vary with the number of transmembrane regions inherent in these proteins (leading to the C-terminal domain of these proteins being either intra- or extracelluIar), sequence similarities in the regions shown to influence iigand binding suggest a common topography for the ligand binding domains of these proteins. Thus, it was realized that all ionotropic glutamate receptors, such as those discussed in Examples 1 through 4, are likely members of a much larger class of ligand-gated ion channel associated receptor proteins.
BRIEF DESCRIPTION OF THE DRAWINGS
Figure 1 is a diagram showing the possible evolutionary relationship of the bacterial periplasmic binding protein related proteins to sugar and oxyanion binding proteins. In this diagram, AMPA refers to 2(S)-amino-3-(5'-methyl-3'-hydroxyisoxazoline)-propionic acid, GABA
refers to y-aminobutyric acid, nACh refers to nicotinic acetylcholine, 5-HT3 refers to class 3 5-hydroxytrptamine (serotonin) receptor, LAOBP
refers to lysine! arginine/ornithine binding protein, LIVBP refers to the bacterial peripiasmic binding protein LIVBP, mGluRs refers to metabotropic glutamate receptors, GaIBP refers to galactose binding protein, and MaIBP refers to maltose binding protein.
Figure 2 is a diagram showing the structures of ligands which activate ionotropic excitatory amino acid receptors. Specifically, the structures of L-glutamate, N-methyl-(D)-aspartate (NMDA), 2(S)-amino-3-(5'-methyl-3'-hydroxyisoxazoline)-propionic acid (S-AMPA), and kainic acid are depicted.
Figure 3 is a diagram showing the structures of fifteen molecules which make up the GluR3 model basis set of molecules, and a sixteenth molecule used to test the GluR3 model and predictive equation.
Figure 4 is a diagram showing the structures of molecules which make up the of KA receptor model basis set of molecules and a molecule used as a potential ligand molecule. These are designated, in order, L

SUBSTITUTE SHEET (RULE 26) Glu, SYM 2081, 5YM 2048, SYM 2077, SYM 2047, SYM 2084, SYM
2072, SYM 2194, SYM 2139 and SYM 2114. The potential ligand molecule is designated SYM 2083.
Figures SA, SB, SC, and SD are a table showing the alignment of amino acids in LAOBP (SEQ ID NO:1), NRl-Z (SEQ ID NOs:2 and 3), NR2-C (SEQ ID NOs:4 and 5), NR2-B (SEQ ID NOs:6 and 7), NR2-A
(SEQ ID NOs:8 and 9), GluR3 (amino acids 4 to 123 of SEQ ID NO:10 and amino acids 2 to 150 of SEQ ID NO:11), and GIuR6 (amino acids 4 to 123 of SEQ ID N0:12 and amino acids 2 to 146 of SEQ ID N0:13).
Consensus segments are also shown (SEQ ID NOs:l4 through 25).
Figures 6A and 6B are a table showing the alignment of amino acids in LAOBP (SEQ ID NO:1), GIuR3 (amino acids 1 to 120 of SEQ ID
NO:10 and amino acids 1 to 149 of SEQ ID NO:11), and GluR6 (amino acids 1 to 120 of SEQ ID N0:12 and amino acids 1 to 145 of SEQ ID
N0:13).
DETAILED DESCRIPTION OF THE INVENTION
A. DeRnitions The disclosed method can be understood by reference to the following definitions.
Basis Set: A set of three or more molecules that binds to the receptor protein of interest for which experimentally determined binding affinities spanning a range of at least 2 log units are known.
Potential Ligand Molecule: A molecule of interest for which the binding characteristics to a binding protein are to be calculated using the disclosed method.
Topographical: Relating to the spatial relationship of physical features of a place or region of a protein.
Topographical simiiarity: Similarity of the spatial relationships of physical features of a place or region of one protein with those of another protein.
SUBSTITUTE SHEET (RULE 26) r Ionotropic Receptors: A protein which either individually or by oligomerization with other proteins forms an ion channel. .
AMPA: 2(S)-amino-3-(5'-methyl-3'-hydroxyisoxazoline)-propionic acid. --S AMPA receptor: A postsynaptic or pre-synaptic receptor which is stimulated, at a minimum, by the excitatory amino acid glutamic acid as well as by AMPA. It is a ligand-gated ionotropic receptor.
Stimulation of a receptor: Activation of a receptor protein so as to induce a functional change in the protein resulting in a change in a measurable physiological property of the protein associated with the native function of that protein.
Kainate Receptor: A postsynaptic or presynaptic receptor which is stimulated, at a minimum, by the excitatory amino acids glutamic acid as well as by kainic acid, but is not stimulated by NMDA or AMPA. It is a ligand-gated ionotropic receptor.
Ligand Affinity: A measure of how tightly a molecule binds to a protein relative to another molecule. Higher (or greater) affinity indicates tighter binding.
NMDA: N-methyl-(D)-aspartate.
NMDA Receptor: A postsynaptic or pre-synaptic receptor which is stimulated, at a minimum, by the excitatory amino acid glutamic acid as well as by NMDA, but is not stimulated by AMPA or kainic acid. It is a ligand-gated ionotropic receptor.
NMDA receptor glutamate site: A ligand binding site present on NMDA receptor proteins which binds L-glutamic acid and NMDA.
NMDA receptor glycine site: A ligand binding site present on NMDA receptor proteins which binds glycine and not glutamate or NMDA.
E~~,Q~: The energy of a receptor protein model calculated from an ensemble of atoms representing the receptor protein model using a Force Field such as CHARMM (Brooks et al. , J. Comp. Chem. 4:1$7-2I7 SUBSTITUTE SHEET (RULE 26) (1983), MM1, or MM2 (Kao and Allinger, .l. Am. Chem. Soc. 99:975 ( 1972)) .
Force field: A series of parameters representative of the various attractive and repulsive components of the interaction between two atoms (See, for example, Kao and Allinger).
Emom"~e: The energy of a molecule calculated from an ensemble of atoms representing the molecule using a Force Field such as CHARMM, MM1, or MM2.
Er~~r+mo~«me~ The total energy of a bound complex formed from a protein and molecule calculated from an ensemble of atoms representing the bound complex using a Force Field such as CHARMM, MM1, MM2.
Emom"~e*: The energy of a potential ligand molecule calculated from an ensemble of atoms representing the potential ligand molecule using a Force Field such as CHARMM, MM 1, or MM2.
E~~~+mom"a* ~ The total energy of a bound complex formed from a protein and potential ligand molecule calculated from an ensemble of atoms representing the bound complex using a Force Field such as CHARMM , MM 1, MM2 .
Mol. Charc.: A molecular characteristic such as, but not limited to, molecular volume, number of rotatable bonds, molar refractivity, and dipole moment.
Computer based: In reference to a method, a method in which at least some of the steps are carried out with, or facilitated by a computer.
In reference to a model, a model in which a representation of the structure of the modelled object is contained in a computer. Such a model is also referred to herein as a computer model.
B. Method A general form of the disclosed method involves a series of specific steps which result in the generation of a model of a protein-ligand binding domain, generation of a predictive equation for the energy of protein-ligand complexes, and fitting the calculated energy of a complex of the protein and a potential ligand molecule to the predictive equation.

SUBSTITUTE SHEET (RULE 26) r ~ i In a preferred mode, the disclosed method is a computer based method for predicting the binding affinity of actual or potential ligand molecules to receptor proteins. Preferably, this can be accomplished by:
(1)_ building a model of a protein-ligand binding domain (also referred herein to as a ligand binding pocket) based upon the similarity of the receptor protein structural topography to bacterial amino acid periplasmic binding proteins, (2) refinement of the protein-ligand binding domain model by energy minimization of the protein with a high affinity ligand in the binding pocket (the resulting protein-ligand binding domain model is also referred to herein as the receptor protein model), (3) calculating a series of interaction energies (E;nu~~ by calculating the energies of the receptor protein model (E~~r) and basis set molecules (Emo;a";e) individually, and the total energies of the individual bound complexes formed from the protein and basis set molecules (Er~~r+mom~a), as shown in equation 1, Einteract - Eroceptor+mo~au~e ' (Ereceptor + Emo~ecul~ (Eq~ 1) (4) generating a predictive equation, such as equation 2, by doing a regression analysis on the basis set, Ligand Affinity = -xE;nu,.~~ + yMol.Charc.,;g~
zMol.Charc.,;g~,d + N (Eq. 2) where Mol.Charc.,;g~,d is a molecular characteristic and x, y, z, and N are the regression parameters, (5) calculating the interaction energy (E;~,~~~*) for a potential ligand molecule by calculating energies of the receptor protein model (Er~,~r) and potential ligand molecule (Emem";e*) individually, and the energy of the individual bound complex formed from the protein and the potential ligand molecule (Er~,~r+momua*)~ as shown in equation 3, and * * E . 3 Eimoract = Erxeptar+mo~ecu~o - (Eraeptor + Emolecule*) ( q ) (6) calculating the affinity of the potential ligand molecule by fitting the data for the difference in the energies (E;n«~~*) and other SUBSTITUTE SHEET (RULE 26) molecular characteristics such as molecular volume and number of rotatable bonds to the predictive equation, equation 2.
The method can also be practiced using an existing model, or a model built in a different manner or from different information than in the first step above. The method can also be practiced using a predictive equation which has been previously generated for a given protein-ligand binding domain model. That is, practice of the disclosed method does not require that a model be built or a predictive equation generated each time the binding characteristics of a potential ligand are to be determined using the method. In fact, it is preferred that a model be built and a predictive equation generated only once, while the model, the predictive equation, or both, are used numerous times for numerous potential ligand molecules.
Such multiple and subsequent use of the results of the early steps of the disclosed method is considered to be an extension or continuation of the earlier steps and, in ultimate combination with the earlier steps, to constitute an individual instance of the full method.
1. Building A Model.
It is preferred that an initial model of a protein-ligand binding domain of a receptor of interest be built by reference to a related bacterial amino acid periplasmic binding protein. This is preferably accomplished by first aligning the receptor to a bacterial amino acid periplasmic binding protein. An example of such an alignment, specifically alignment of glutamate receptor ligand binding sites with LAOBP, is discussed by Stern-Bach et al. (Neuron 13:1345 (1994)) and is shown in Figure 5. The alignment can be adjusted if there is a high variance in regression analysis used for generating the predictive equation.
An alignment such as is shown in Figure 5 indicates the possible presence of an evolutionarily conserved ligand binding domain. A
topographical model of a protein can then be constructed based upon the crystal structure of the bacterial amino acid periplasmic binding protein and the above alignment. Preferred bacterial binding proteins are leucine/alanine/ornithine-binding protein (LAOBP; Oh et al., J. Biol.

SUBSTITUTE SHEET (RULE 26) i Chem. 268:11384-11355 (1993)), arabinose-binding protein (ABP;
Quiocho and Vyas, Nature 310:381 (1984)), galactose-binding protein (GBP; Vyas et al., Science 242:1290-1295 (1988)-; Mowbray et al., Receptor 1:41-54 (1990)), maltose-binding protein (MBP; Spurlino et al., J. Biol. Chem. 266:5202-5219 (1-991)), and sulfate-binding protein (SBP;
Ptlugrath and Quiocho, J. Mol. Biol. 200:163-180 (1988)), ribose receptor-binding protein (RBP; Mowbray and Cole, J. Mol. Biol. 225:155-175 (1992)), leucine/isoleucinelvaline-binding protein (LIVBP; Sack et al., J. Mol. Biol. 206:171-191 (1989), leucine-binding protein (LBP; Sack et al., J. Mol. Biol. 206:193-207 (1989), and PotD (Sugiyama et al., J. Biol.
Chem. 271:9519 (1996). The model can be constructed using any suitable medium or structural convention. It is preferred that the model be constructed employing a commercially available computer protein modeling package such as "Quanta v4.0" (Molecular Simulations Incorporated), or "Discover" (Tripos Incorporation). Such modeling programs and their general use are known to those of skill in the art. It is specifically contemplated that any computer based protein modeling system which can be used to calculate molecular energies is suitable for use in, and is a preferred medium for practicing, the disclosed method. Those regions of the protein hypothesized to adopt a secondary structure topographically similar to the bacterial amino acid periplasmic binding protein are modelled by duplicating those regions of the template protein.
In the disclosed method, it is preferred that this is done primarily through alignment of the protein to a bacterial periplasmic binding protein (although any additional information regarding either the structure of the protein or the similarity of the structure to the bacterial protein can also be used). Conversely, those sequences o~ ~cm ~1~«lll u.a~ a.,, u,.,..~.".....
..., or different from, the basic template structure (of the bacterial protein) can be analyzed according to the standard algorithms for predicting protein secondary structure (Holley and Karplus, Proc. Natl. Acad. Sci. USA
86:152-156; LaRosa et al., Science 249:932-935 (1990); Gamier et al., J.
Mol. Biol. 120:97-120 (1978)). With such tendencies in mind, these SUBSTITUTE SHEET (RULE 26) sequences can be modeled by comparison to a protein structural library, such as the Brookhaven Protein Database, and annealed onto the existing framework. Such a comparison is preferabl-y accomplished by utilizing the ends of the'template protein backbone, into which a loop or insert is to be added, as a pair of reference points in a search of a subset of the protein database. This search identifies known secondary stnlctural units, of the same length as the unknown insert, which start and finish in a manner spatially similar and complementary to the reference points.
Z. Refinement Of The Model.
The complete model is refined by fully minimizing the energy of the model of the protein with a high affinity ligand in the binding pocket.
Minimization of the complete model is preferably accomplished using an algorithm such as adopted-basis set Newton-Raphson, with a dielectric constant of 1 to 20, initially holding the peptide backbone rigid (until the root mean square difference is less than 0.01), and then without any constraints. Semi-systematic refinement of the individual side chain conformations is preferably performed by manual pairing of complimentary charged residues to a known receptor ligand, followed by repeated minimization until a consistent low energy solution is attained.
Pairs are preferably selected by the surface distribution of the respective complementary charged residue side chains.
3. Calculating The Interaction Energy.
The interaction energy (E;n~~~ for the individual molecules, such as basis set molecules, can be calculated as in equation 1.
(E~~~~~ = E~~~of,.mome - (E~~~W' Emoixu~e) (Eq~ 1).
The energy of the protein (E~~~o~) and the individual molecules (Emo,~"~e) can be calculated using standard techniques. These energies can be calculated using known techniques, based on, for example, the principles and techniques described in Kao and Allinger, J. Am. Chem. Soc. 99:975 (1972), and Brooks et al., J. Comp. Chem. 4:187-217 (1983). Preferably, the energies are calculated with the aid of a molecular modeling computer program such as those described elsewhere herein. The basis set lb SUBSTITUTE SHEET (RULE 26) molecules are preferably modeled in a fully ionized state. To determine the energy of a receptorlmolecule complex (Er~,~r+mo,e~"n, individual molecules should be placed within close proximity (2 to 3 A) of the expected binding pocket model, followed by minimization of the receptor/molecule complex. For- each molecule the starting conformation and orientation of the molecule within the binding pocket should be systematically adjusted and the complex re-minimized. Only the lowest energy structure (that is, the structure having the lowest Error+mo,ec~,e) should be retained after each iteration.
4. Generating A Predictive Equation.
The characteristics of the molecules, such as, but not limited to, volume, can be computed by, for example, employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the individual molecules. Rotatable bonds for a particular molecule can be identified as those bonds whose position in the bound complex are necessarily fixed by interactions with the protein surface. Regression analysis, such as linear regression analysis, of these characteristics with the observed affinity of these ligands results in a predictive equation such as equation 2.
Protein Affinity = -xE;"rera~r + yMol.Charc.,;g~,d - zMol.Charc.,;g~,d + N (Eq. 2) The predictive equation can use as many molecular characteristics as desired. The use of two, three, or four molecular characteristics is preferred. The use of two molecular characteristics (in addition to E;~rerac~
is most preferred.
5. Calculating The Interaction Energy Of A Potential Ligand.
The interaction energy (E;nre~*) for a potential ligand molecule can be calculated as in Equation 3.
* * * Ir . 3 Einteracr - Erccepror+mokcu~e - (Error + Emo~xu~e ) ~ q ) The energy of the protein (Er~~r) and the potential ligand molecule (Emom,e*) can be calculated using standard techniques. The potential Iigand molecule is preferably modeled in a fully ionized state. To SUBSTITUTE SHEET (RULE 26) WO 98/38208 PCT/US98l03951 calculate Er~~r+mo~«"a*, the potential ligand molecule should be placed within close proximity (2 to 3 A) of the expected binding pocket model, and the receptorlmolecule complex re-minimized. - The conformation and orientation-of the molecule within the binding pocket should then be systematically adjusted and the complex re-minimized. Only the lowest energy structure should be retained after each iteration, E *).
receptor+molxule 6. Calculating The Affinity Of A Potential Ligand.
The characteristics of a potential ligand molecule (the same characteristics determined and used for the basis set molecules) can be computed employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the potential ligand molecule. Rotatable bonds for the potential ligand molecule can be identified as those bonds whose position in the bound complex are necessarily fixed by interactions with the protein surface. The results can then be inserted into the predictive equation (Equation 2) and the resulting affinity for the potential ligand molecule for the protein can be calculated.
7. Predicting the Selectivity of Potential Ligands.
Many binding proteins belong to families of binding proteins which can, to a greater or lesser extent, interact with similar ligands.
Families of neurotransmitter receptors are well known examples of this.
For various reasons, it is desirable to alter the activity of one or a subset of binding proteins in such a family. For this purpose, specific ligands have been discovered which have a higher affinity for one binding protein in a family than for other members. The disclosed method can be used to identify potential ligands which are selective for one or a subset of members of a binding protein family. Preferably, this is accomplished by building and refining models of the binding pockets for relevant members of a binding protein family, and generating predictive equations for each model. The affinity of a potential ligand molecule can then be calculated for each binding protein and the affinities compared. Selective ligand molecules can be identified as those having a desired pattern of affinities for the binding protein family members. For example, a ligand might be SUBSTITUTE SHEET (RULE 26) r r i sought having a high affinity for one of the binding proteins but not for any of the others. Such ligands could then be.used for the study of the activity of the binding protein of interest, or for selectively altering the activity of the binding protein of interest.
Examples Example 1: AMPA Receptor Model The following example illustrates application of the disclosed method to the AMPA receptor GluR3.
(1) Alignment of LAOBP and GluR3 was determined in a manner similar to that suggested by Stern-Bach et al. with a correction for the missing lysine at position b83 of GluR3. The resulting alignment is shown in Figure 5. A topographical model of GluR3 based upon the known crystal structure of LAOBP was then constructed. The model was constructed employing the protein modeling package of "Quanta v4.0"
(Molecular Simulations Incorporated). Those regions hypothesized to adopt a secondary~structure topographically similar to LAOBP were modeled by duplicating those regions of the template protein (LAOBP).
Conversely, those sequences of GluR3 that were additional to the basic template structure were analyzed according to the standard algorithms for predicting protein secondary structure. These sequences were subsequently modelled by comparison to a protein structural library and annealed onto the existing framework.
(2) The complete model was fully minimized using the adopted-basis set Newton-Raphson algorithm with a dielectric constant of 1, initially holding the peptide backbone rigid (until the root mean square (r.m.s.) difference was less than 0.10 A), and then without any atomic constraints. AMPA was chosen as a representative high affinity ligand. It was manually placed in the binding pocket of the GluR3 model and minimized until the r.m.s. difference was less than 0.001 A. Semi-systematic adjustment of the AMPA residues contacting the lining of the pocket and the individual side chain conformations was performed by SUBSTITUTE SHEET (RULE 26) manual pairing of complementary charged residues, followed by repeated minimization until a consistent low energy solution was attained. The coordinates of the atoms in the resulting structure are listed in Table 3.
(3)- The interaction energies (E;",~~ for the molecules in a basis S set for the AMPA receptor were calculated as in equation 1.
Eintcract - Eraxpwr+ligand - (Eraeptor + Ellgand/ (Eq. 1) The energies of the protein (E~~~t) and the individual molecules (Emo,~",~) were calculated using the protein modeling package "Quanta v4.0" . The AMPA basis set molecules 1 to 15 (Figure 3) were modeled in a fully ionized state. Individual molecules were placed within close proximity (2 to 3 A) of the expected binding pocket, and the receptorlmolecule complex was re-minimized. For each of these antagonists, the conformation and the orientation of the molecule within the binding pocket was systematically adjusted and the complex re-minimized. Adjustments were made to both the torsional angles and the position of the molecule in the binding pocket. Only the lowest energy structure was retained after each iteration. The resulting minimum energy was used for E~~~o~+,;g~,d in equation 1. The calculated E;~,~«, for each molecule in the basis set is shown in Table 1.
SUBSTITUTE SHEET (RULE 26) r ~ i WO 98!38208 PCT/US98/03951 ' O ~ .-Mr.-N-vM ~h M ~ N ~ t'~~O V M ~ ~' b O O O O O O O

C~ - O O - + O G ~
f- V-.d yn _ _ o v ~ ~ M r v,.o ~n o~ ~no0 0 y M 'd'C1O\ r N ~ N M V1C ~ N h N 01 "' r. vo vovo vc ~ ~or ~c v~v~ m n e w nn a.

H
y N N N .~N N N ~tN N

V ~ Q
Oa N

O

H

W O m ~ O M O O r O o0 0oa~ N

O ~ 4 M _ ~SV1 h h V'1C Wl1O V'1!Y M
N N N N

N N N N N N N N

N

Q

O, Q

4.
t~~ N ~O -"M ~O V1 O v'fV) v1Y M O V W

M ~O r ~O -- O N t~ v1 ~ Ov oo Ov N N O

y = N N N N N N N ~ ~ ~ ; , N W ~ ~ , cd A
oo O ooN r O O N ~n ~ N ~ ~ ~

,.~p O
N ~ h 00 V r h 00 ~" ~' , ~

r t~ ~OV7 ~D vo ~ivo v0 vivC ~O W ~tW o a.

d a' N O ~DM
n M O ~ O O 00 U Q ~ ~ ~ ~ ' V1 ~D M ~ ~:
~ '~

O O O O N O O h O O ~'N O

.. O O

x 'O

O N ~ etU1 ~O

N M tf ~!1~O r 00 Ov .a SUBSTITUTE SHEET (RULE 26) (4} The volume of the ligands was computed employing a 0.5 A
grid overlaying the van der Waals surface of the final bound conformation of the individual ligands. Rotatable bonds for a particular ligand were assessed as those bonds whose position in the bound complex were necessarily fixed by interactions with the protein surface. Regression analysis of this data with the observed affinity of these ligands gave the relationship in equation 4, which is the predictive equation for the GluR3 model.
GluR3 Affinity = -0.016E;"~~~ + 0.014Vol,;ea"d - l.2Rotbo"~ + 1.723 (Eq. 4) The predictive equation was used to calculate a predicted affinity for each of the basis set molecules. Measures of affinity (both actual and as calculated), volume, and the number of interacting rotatable bonds for each of the molecules in the basis set are shown in Table 1. ICSO refers to the concentration of the indicated ligand at which half of bound AMPA is released (a measure of the relative affinities the receptor has for AMPA
and the ligand). The experimentally determined measurements are reported in Bigge et al., J. Med. Chem. 38:3720-3740 (1995), for ligands 1-4, 6, 14, and 15, in Johansen et al., Eur. J. Pharmacol.-Mol.
Pharmacol. Sect. 246:195 (1993), for ligands 5 and 10, in Ohmuri et al., J. Med. Chem. 37:467-475 (1994), for ligand 7, in Watjen and Drwjer, PCT Application WO 94/26747, for ligand 8, in Watjen et al., Bioorg. ~
Med. Chem. Lett. 4:371-376 (1994), for ligand 9, and in Arnold et al., European Patent No. 93306745.6, for ligands 11-13. p(ICso) refers to the log of ICSO. The residual represents the difference between p(ICSO) and predicted p(ICSO) for each basis set molecule.
(5) The interaction energy (E;~~~~*) for a potential ligand molecule, compound 16 in Figure 3, was calculated using equation 5.
Compound 16 is described (as compound 7b) in Lubisch et al., Bioog. &
Med. Chem. Lett. 6:2887 (1996). The energies of the protein (E~~~~) and the potential ligand molecule (E,6) were calculated using the protein modeling package to be about -17154 and -14, respectively. The potential SUBSTITUTE SHEET (RULE 26) r i t ligand molecule was modeled in a fully ionized state. The molecule was placed within close proximity {2 _to 3 A) of the expected binding pocket, and the receptor/molecule complex was re-minimized. The conformation and orientat'ron of the potential ligand molecule within the binding pocket was systematically adjusted and the complex re-minimized. Adjustments were made to both the torsional angles and the position of the molecule in the binding pocket. Only the lowest energy structure was retained after each iteration.
E~rns~* = E~a~r+ie* - (E~~~ -f' Eie*) {Eq~ 5) - -17,377 - (-17,154 - 14) (6) The volume of the potential ligand molecule was computed employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the individual species. Interacting rotatable bonds for the potential ligand molecule were assessed as those bonds whose position in the bound complex were necessarily fixed by interactions with the protein surface. The rotatable bonds in compound 16 are indicated with the label R in Figure 3. The results were applied to equation 4 and the resulting affinity for protein binding was calculated. The predicted affinity (predicted p(ICS~)) of 5.9 was calculated by substituting the appropriate molecular characteristics into the predictive equation (Equation 4).
GluR3 Affinity = -0.016E;",~~ + 0.014Vo1,;g~,d - l.2Rotbo"ds + 1.723 (Eq. 4) = (-0.016 X -209) + (0.014 X 242) - (1.2 X 2) + 1.723 = 5.9 The calculated affinity (ICSo) was thus 1.25 ~.M. The experimentally determined affinity for compound 16 is 0.85 ~M.
Example Z: Kainate Receptor Model The following example illustrates application of the disclosed method to the kainate receptor GluR6.

SUBSTITUTE SHEET (RULE 26) (1) Alignment of LAOBP and GluR6 was determined in a manner similar to that suggested by Stern-Bach -et al. . The resulting alignment is shown in Figure 5. A topographical model of GluR6 based upon the known crystal structure of LAOBP was then constructed. The model was constructed employing the proteilz modeling package of "Quanta v4.0"
{Molecular Simulations Incorporated). Those regions hypothesized to adopt a secondary structure topographically similar to LAOBP were modelled by duplicating those regions of the template protein (LAOBP).
Conversely, those sequences of GluR6 that were additional to the basic template structure were analyzed according to the standard algorithms for predicting protein secondary structure. These sequences were subsequently modelled by comparison to a protein structural library and annealed onto the existing framework.
(2) The complete model was fully minimized using the adopted-basis set Newton-Raphson algorithm with a dielectric constant of 1, initially holding the peptide backbone rigid (until the r.m.s. difference was less than 0.01 A), and then without any atomic constraints. Kainic acid was chosen as a representative high affinity ligand. It was manually placed in the binding pocket of the GluR6 model and minimized until the r.m.s. difference was less than 0.001 A. Semi-systematic adjustment of the KA residues contacting the lining of the pocket and the individual side chain conformations was performed by manual pairing of complimentary charged residues, followed by repeated minimization until a consistent low energy solution was attained. The coordinates of the atoms in the resulting structure are listed in Table 4.
(3) The interaction energies (E;n,~~ for the molecules in a basis set for the KA receptor were calculated as in equation 1.
Eintcracc = Ereceptor+ngana - {Eroeepto~ + Engana) (E~l~ 1) The energies of the protein (Er~~~) and the individual molecules (Emom~e) were calculated using the protein modeling package "Quanta v4.0" .
Members of the KA receptor basis set were chosen to reflect the natural ligands of these receptors and the most potent of synthetic ligands. The SUBSTITUTE SHEET (RULE 26) t , , individual members of the basis set, compounds 1-10 in Figure 4. The basis set molecules were modeled in a fully ionized state. Individual molecules were placed within close proximity (2- to 3 A) of the expected binding pocket and the receptor/molecule complex was re-minimized. For each of these antagonists, the conformation and orientation of the molecule - within the binding pocket was systematically adjusted and the complex re-minimized. Only the lowest energy structure was retained after each iteration. Each ligand was also fully minimized in the absence of the receptor model. Additionally, a conformational analysis of each of the ligands was performed in order to estimate the conformational flexibiiity of each species. Earlier work had suggested that while the threo-4-alkyl glutamates were conformationally mobile in aqueous solution at room temperature, the backbone 1H-'H coupling constants suggested that rotation around the C3-C4 bond was considerably retarded. Thus, each of the erythro ligands was assigned one less rotatable bond than its threo counterpart. Kainic acid was assigned two rotatable bonds on the basis of free rotation around the pseudo C3-C4 bond and free rotation of the isopropenyl side chain. The resulting minimum energy was used for E~,,~r+ng~a in equation 1. The E;~~~~ for each molecule in the basis set is shown in Table 2.
SUBSTITUTE SHEET (RULE 26) N ~ ~ ~ M O ~D

b d ~ c' ~' p N
,' n O O O O O ~ O
O O O O O +

.d N
o ~ ~ ~ ~

~U ~ N o r ~ o n o n o O ~O l~ ~D V7 ~O V'1V1 ~ ~ ~' M ct ~O

~
v cC

'b v~

J

' C

O
N N ~ N - N N M N N N N M

O

.a .

b O

N .-.w O we O oo O~ O M ~

~ O " N

N
c M ~ M M M M M N N ~ .--~.--r , -~ ~

.--m.,~ . i ~ i ~ i N i ~ i i i i i i N

o0 O ~D N ~ N ~ O O O O -~ N

U M ~ ~ ~n oo v, ~n c~ ~n o ~n v, 00 E"'~~ ~G l~ (~ V7 V'1V'1V~ ~ ~ !t M U1 G1.

O ~ 0 O ~ p p ~ V1 '~,~ '~ O O O M O 0 C N
. 0 -, . ~ M
0 O O "'~M N N M M
M

U

.-.00 ~ I~ ~t N ~ M ~ ~ 00 O O

O O O O
'b N N N N N N N N N

by ~ ~ N N ..

..
r-7 ~ N M d w1 ~ t~ oo Ov O '-'N M

SUBSTITUTE SHEET (RULE 26) (4) The volume of the ligands was computed employing a 0.5 A
grid overlaying the van der Waals surface of the final bound conformation of the individual species. Regression analysis of this data with the observed affinity of these ligands gives the relationship in equation 6, which is the predictive equation for the GluR6 model.
GluR6 Affinity = -0.125E;"~,.~ - 0.963Rotbo~~ - 9.063 (Eq. 6) The predictive equation was used to calculate a predicted affinity for each of the basis set molecules. Measures of affinity (both actual and as calculated), volume, and the number of interacting rotatable bonds for each of the molecules in the basis set are shown in Table 2.
(5) The interaction energy (E;n,~~t ISYM 20831) for SYM 2083, shown as compound 3 in Figure 4, was calculated as in Equation 7. The energies of the protein (Er~,~r) and SYM 2083 (ESYM zos3) were calculated using the protein modeling package. The novel molecule SYM 2083 was modeled in a fully ionized state. SYM 2083 was placed within close proximity (2 to 3 A) of the expected binding pocket, and the receptor/SYM 2083 complex was re-minimized. The conformation and orientation of SYM
2083 within the binding pocket was systematically adjusted and the complex re-minimized. Only the lowest energy structure was retained after each iteration.
Einteract (SYM 2083) - Ereceptor+ SYM 2083 - (Erxeptor + ESYM 2083) (Eq~ 7) (6) The volume of SYM 2083 was computed employing a 0.5 A
grid overlaying the van deer Waals surface of the final bound conformation of the individual species. Rotatable bonds for SYM 2083 were assessed as those bonds whose position in the bound complex were necessarily fixed by interactions with the protein surface. The results were inserted into equation 6 and the resulting affinity for protein binding calculated. The calculated affinity (p(ICSO)) was 6.10 and the experimentally determined affinity (p(ICSO)) was 5.82.
Example 3: NMDA Receptor Glutamate Site The following example illustrates application of the disclosed method to a glutamate site on an NMDA receptor.

SUBSTITUTE SHEET (RULE 26) (1) Alignment of LAOBP and the NMDA receptor NR2-B was determined in a manner similar to that suggested by Stern-Bach et al. The resulting alignment is shown in Figure 5. A topographical model based upon the known crystal structure of LAOBP was then constructed. The model was constructed employing the protein modeling package of "Quanta v4.0" (Molecular Simulations Incorporated). Those regions hypothesized to adopt a secondary structure homologous to LAOBP were modeled by duplicating those regions of the template protein. Conversely, those sequences of NR2-B that were additional to the basic template structure were analyzed according to the standard algorithms for predicting protein secondary structure. These sequences were subsequently modeled by comparison to a protein structural library and annealed onto the existing framework.
(2) The complete model was fully minimized using the adopted-IS basis set Newton-Raphson algorithm at a dielectric constant of 1, initially holding the peptide backbone rigid (until r.m.s. difference was less than 0.01 A), and then without any atomic constraints. L-glutamate was chosen as a representative high affinity ligand. It was manually placed in the binding pocket of the NR2-B model and minimized until the r.m.s. was less than 0.001 A. Semi-systematic adjustment of the L-glutamate residues contacting the lining of the pocket and the individual side chain conformations was performed by manual pairing of the charged residues, followed by repeated minimization until a consistent low energy solution was attained. The coordinates of the atoms in the resulting structure are listed in Table 5.
(3) The interaction energies (E;~,~~~ for the individual molecules can be calculated as in equation 1. The energies of the protein (Er~~o~) and the individual molecules (Emom"~e) can be calculated using the protein modeling package "Quanta v4.0" . Members of the NR2 receptor basis set are chosen to reflect the natural ligands of these receptors and the most potent of our initial synthetic ligands. The individual members of the basis set can be primarily chosen in order to expand the range of ligands SUBSTITUTE SHEET (RULE 26) r i covered by this approach and to aid in the design of novel ligands. The basis set of molecules can be modeled in a fully ionized state. Individual molecules can be placed within close proximity (2 to 3 t~) of the expected binding pocket, and the receptor/molecule complex re-minimized. For each basis set molecule the conformation and orientation of the molecule within the binding pocket can be systematically adjusted and the complex re-minimized. Only the lowest energy structure is retained. The resulting minimum energy can be used for E~~~~+~;g~,a in equation 1.
E~~~~~ = Er~~~,.mom~n - (E~,,~r + Emom,O (Eq. 1}
(4) The volume of the ligands can be computed employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the individual species. Regression of this data with the observed affinity of these ligands will give a predictive equation for the NRZ model (Equation 8}.
NR2 Affinity = -xE;~,~T~ + yVOl~;g~,d - zRotbo"~ + N (Eq. 8) (5) The interaction energy (E;",~,~*) for a potential ligand molecule can calculated as in Equation 3.
Eintecact* - Eroceptor+mo~au~e - (Erxeptor + Emolaule*) (Eq~ 3) The energies of the protein (E~~~~) and the potential ligand molecule (Ema,a",e*) can be calculated using the protein modeling package. The potential ligand molecule can be modeled in a fully ionized state, placed within close proximity (2 to 3 A) of the expected binding pocket, and the receptor/molecule complex re-minimized. The conformation and orientation within the binding pocket can be systematically adjusted and the complex re-minimized. Only the lowest energy structure is retained after each iteration.
(6) The volume of the potential ligand molecule is computed employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the individual species. Rotatable bonds for the potential ligand molecule are assessed as those bonds whose position in the bound complex were necessarily fixed by interactions with the protein SUBSTITUTE SHEET (RULE 26) surface. The results are inserted into the predictive equation (Equation 8) and the resulting affinity for protein binding calculated.
Example 4: NMDA Receptor Glycine Site Tlie following example illustrates application of the disclosed method to a glycine site on an N-MDA receptor.
(1) Alignment of LAOBP and the NMDA receptor NRl was determined in a manner similar to that suggested by Stern-Bach et at. The resulting alignment is shown in Figure 5. A topographical model based upon the known crystal structure of LAOBP was then constructed. The model was constructed employing the protein modeling package of "Quanta v4.0" (Molecular Simulations Incorporated). Those regions hypothesized to adopt a secondary structure homologous to LAOBP were modeled by duplicating those regions of the template protein. Conversely, those sequences of NR1 that were additional to the basic template structure were analyzed according to the standard algorithms for predicting protein secondary structure. These sequences were subsequently modeled by comparison to a protein structural library and annealed onto the existing framework.
(2) The complete model was fully minimized using the adopted-basis set Newton-Raphson algorithm at a dielectric constant of 1, initially holding the peptide backbone rigid (until r.m.s. difference was less than 0.01 A), and then without any atomic constraints. L-glycine was chosen as a representative high affinity ligand. It was manually placed in the binding pocket of the NR1 model and minimized until the r.m.s. was less than 0.001 A. Semi-systematic adjustment of the glycine residues contacting the lining of the pocket and the individual side chain conformations was performed by manual pairing of the charged residues, followed by repeated minimization until a consistent low energy solution was attained. The coordinates of the atoms in the resulting structure are listed in Table 6.
(3) The interaction energies (E;~~~~ for the individual molecules can be calculated as in equation 1. The energies of the protein (E1~~~) SUBSTITUTE SHEET (RULE 26) r i and the individual molecules (Emoieme) can be calculated using the protein modeling package "Quanta v4.0" . Members of the NRl receptor basis set can be chosen to reflect the natural ligands of these receptors and the most potent of our initial synthetic ligands. The individual memders of the basis set can be primarily chosen- in order to expand the range of ligands covered by this approach and to aid in the design of novel ligands. The basis set of molecules are modeled in a fully ionized state. Individual molecules can be placed within close proximity (2 to 3 A) of the expected binding pocket, and the receptorlmolecule complex re-minimized. For each ligand the conformation and orientation of the molecule within the binding pocket can be systematically adjusted and the complex re-minimized. Only the lowest energy structure is retained. The resulting minimum energy is used for Er~~r+ligand in equation 1.
Einterac~ - Erecep~or+molxule ' (Erecepwr + Emo~xule) (Eq~ 1) (4) The volume of the ligands can be computed employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the individual species. Regression of this data with the observed affinity of these ligands will give a predictive equation for the NRl model (Equation 9).
NR1 Affinity = -xE;n~,~r + yVol,;g~,d - zRot~o~~ + N (Eq. 9) (5) The interaction energy (E;",~~~*) for the potential ligand molecule can be calculated as in Equation 3.
Einteract* - Ereceptor+molecule ' (Eraeptor + Emolecule*) (E~l~ 3) The energies of the protein (Er~~r) and the potential ligand molecule (Emolau~e*) can be calculated using the protein modeling package. The potential ligand molecule can be modeled in a fully ionized state, placed within close proximity (2 to 3 t~) of the expected binding pocket, and the receptor/molecule complex re-minimized. The conformation and orientation within the binding pocket can be systematically adjusted and the complex re-minimized. Only the lowest energy structure is retained after each iteration.

SUBSTITUTE SHEET (RULE 26) (6) The volume of the potential ligand molecule can be computed employing a 0.5 A grid overlaying the van der Waals surface of the final bound conformation of the individual species, Ratatable bonds for the potential ligand molecule are assessed as those bonds whose position in the bound complex were necessarily fixed by interactions with the protein surface. The results can be inserted into the predictive equation (Equation 9) and the resulting affinity for protein binding calculated.
Binding Protein Model Coordinates Coordinates of atoms in the computer models of the AMPA
receptor GluR3, the NMDA receptor NR2-B, the kainate receptor GluR6, and the NMDA receptor NR1 built and revised using the disclosed method are shown in Tables 3 through 6. Table 3 shows the coordinates of 2706 atoms in the model of the AMPA receptor GluR3. Table 4 shows the coordinates of 2700 atoms in the model of the kainate receptor GluR6.
Table 5 shows the coordinates of 2653 atoms in the model of the NMDA
receptor NR2-B. Table 6 shows the coordinates of 2975 atoms in the model of the NMDA receptor NR1.

SUBSTITUTE SHEET (RULE 26) TASLa s REMARK1 (GluR3)Model Glutamate Site AMPA of Binding Receptor the ATOM 1 N GLY 2 260 27.989 84:331 28.873 1.00 0.00 ATOM 2 CA GLY 2 260 29.091 83.371 28.965 1.00 0.00 ATOM 3 C GLY 2 260 28.491 82.067 29.445 1.00 0.00 ATOM 4 O - GLY 2 260 27.382 81.718 29.054 1.00 0.00 ATOM 5 1HT GLY 2 260 28.083 85.110 29.561 1.00 0.00 ATOM 6 2HT GLY 2 260 27.094 83.844 29.099 1.00 0.00 -ATOM 7 3HT GLY 2 260 27.938 84.794 27.947 1.00 0.00 ATOM 8 N VAL 2 261 29.222 81.400 30.348 1.00 0.00 ATOM 9 CA VAL 2 261 28.576 80.292 31.059 1.00 0.00 ATOM 10 C VAL 2 261 28.143 80.710 32.466 1.00 0.00 ATOM 11 O VAL 2 261 28.347 80.077 33.497 1.00 0.00 ATOM 12 CB VAL 2 261 29.469 79.034 31.008 1.00 0.00 ATOM 13 CG1 VAL 2 261 30.809 79.223 31.728 1.00 0.00 ATOM 14 CG2 VAL 2 261 28.707 77.771 31.425 1.00 0.00 ATOM 15 H VAL 2 261 30.126 81.727 30.628 1.00 0.00 ATOM 16 N GLU 2 262 27.530 81.889 32.465 1.00 0.00 ATOM 17 CA GLU 2 262 27.238 82.527 33.745 1.00 0.00 ATOM 18 C GLU 2 262 25.883 82.158 34.305 1.00 0.00 ATOM 19 O GLU 2 262 25.753 81.831 35.482 1.00 0.00 ATOM 20 CB GLU 2 262 27.426 84.053 33.689 1.00 0.00 ATOM 21 CG GLU 2 262 27.442 84.702 32.297 1.00 0.00 ATOM 22 CD GLU 2 262 26.143 84.434 31.564 1.00 0.00 ATOM 23 OE1 GLU 2 262 26.123 83.642 30.637 1.00 0.00 ATOM 24 OE2 GLU 2 262 25.132 85.008 31.910 1.00 0.00 ATOM 25 H GLU 2 262 27.074 82.138 31.612 1.00 0.00 ATOM 26 N ARG 2 263 24.894 82.182 33.391 1.00 0.00 ATOM 27 CA ARG 2 263 23.498 81.858 33.695 1.00 0.00 ATOM 28 C ARG 2 263 23.277 80.850 34.820 1.00 0.00 ATOM 29 O ARG 2 263 23.477 79.643 34.709 1.00 0.00 ATOM 30 CB ARG 2 263 22.740 81.521 32.395 1.00 0.00 ATOM 31 CG ARG 2 263 22.960 80.159 31.712 1.00 0.00 ATOM 32 CD ARG 2 263 24.354 79.834 31.157 1.00 0.00 ATOM 33 NE ARG 2 263 24.355 78.468 30.622 1.00 0.00 ATOM 34 CZ ARG 2 263 24.867 78.167 29.408 1.00 0.00 ATOM 35 NH1 ARG 2 263 25.548 79.078 28.724 1.00 0.00 ATOM 36 NH2 ARG 2 263 24.675 76.964 28.886 1.00 0.00 ATOM 37 H ARG 2 263 25.139 82.516 32.482 1.00 0.00 ATOM 38 HE ARG 2 263 23.895 77.751 31.159 1.00 0.00 ATOM 39 1HH1 ARG 2 263 25.934 78.837 27.832 1.00 0.00 ATOM 40 2HH1 ARG 2 263 25.713 80.009 29.066 1.00 0.00 ATOM 41 1HH2 ARG 2 263 24.923 76.804 27.930 1.00 0.00 ATOM 42 2HH2 ARG 2 263 24.273 76.220 29.420 1.00 0.00 ATOM 43 N MET 2 264 22.927 81.435 35.975 1.00 0.00 ATOM 44 CA MET 2 264 23.177 80.656 37.187 1.00 0.00 ATOM 45 C MET 2 264 22.253 79.480 37.450 1.00 0.00 ATOM 46 O MET 2 264 21.036 79.608 37.534 1.00 0.00 ATOM 47 CB MET 2 264 23.255 81.562 38.422 1.00 0.00 ATOM 48 CG MET 2 264 21.985 82.370 38.709 1.00 0.00 ATOM 49 SD MET 2 264 21.993 83.112 40.347 1.00 0.00 ATOM 50 CE MET 2 264 21.960 81.587 41.306 1.00 0.00 ATOM 51 H MET 2 264 22.725 82.417 35.964 1.00 0.00 ATOM 52 N GLU 2 265 22.901 78.329 37.619 1.00 0.00 ATOM 53 CA GLU 2 265 22.245 77.239 38.335 1.00 0.00 ATOM 54 C GLU 2 265 22.798 77.230 39.745 1.00 0.00 ATOM 55 O GLU 2 265 23.853 77.833 39.953 1.00 0.00 ATOM 56 CB GLU 2 265 22.527 75.955 37.573 1.00 0.00 ATOM 57 CG GLU 2 265 21.334 75.540 36.713 1.00 0.00 ATOM 58 CD GLU 2 265 20.328 74.721 37.509 1.00 0.00 ATOM 59 OE1 GLU 2 265 19.614 73.922 36.929 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 60 OE2 GLU 2 265 20.259 74.816 38.727 1.00 0.00 ATOM 61 H GLU 2 265 23.866 78.309 37.360 1.00 0.00 ATOM 62 N SER 2 266 22.808 76..595 40.690 1.00 0.00 ATOM 63 CA SER 2 266 22.270 76.930 42.105 1.00 0.00 ATOM 64 C SER 2 266 23.527 76-.384 42.855 1.00 0.00 ATOM 65 O _ SER 2 266 24.537 77.069 42.732 1.00 0.00 ATOM 66 CB ' SER 2 266 20.862 76.873 42.725 1.00 0.00 ATOM 67 OG SER 2 266 20.151 75.774 42.128 1.00 0.00 ATOM 6B H SER 2 266 21.292 76.055 40.376 1.00 0.00 ATOM 69 HG SER 2 266 19.462 76.058 41.576 1.00 0.00 ATOM 70 N PRO 2 267 23.544 75.217 43.578 1.00 0.00 ATOM 71 CA PRO 2 267 24.854 74.718 44.064 1.00 0.00 ATOM 72 C PRO 2 267 25.897 74.459 42.972 1.00 0.00 ATOM 73 O PRO 2 267 25.652 74.714 41.795 1.00 0.00 ATOM 74 CH PRO 2 267 24.489 73.418 44.784 1.00 0.00 ATOM 75 CG PRO 2 267 23.030 73.561 45.189 1.00 0.00 ATOM 76 CD PRO 2 267 22.459 74.347 44.025 1.00 0.00 ATOM 77 N ILE 2 268 27.061 73.905 43.376 1.00 0.00 ATOM 78 CA ILE 2 268 28.146 73.483 42.471 1.00 0.00 ATOM 79 C ILE 2 268 28.877 72.309 43.140 1.00 0.00 ATOM 80 O ILE 2 268 28.428 71.879 44.204 1.00 0.00 ATOM B1 CB ILE 2 268 29.041 74.711 42.174 1.00 0.00 ATOM 82 CG1 ILE 2 268 30.059 74.523 41.040 1.00 0.00 ATOM 83 CG2 ILE 2 268 29.712 75.225 43.454 1.00 0.00 ATOM 84 CD1 ILE 2 268 30.824 75.800 40.690 1.00 0.00 ATOM 85 H ILE 2 268 27.202 73.726 44.354 1.00 0.00 ATOM 86 N GLU 2 269 29.975 71.782 42.565 1.00 0.00 ATOM 87 CA GLU 2 269 30.814 70.919 43.391 1.00 0.00 ATOM 88 C GLU 2 269 32.294 71.268 43.306 1.00 0.00 ATOM 89 O GLU 2 269 33.058 70.684 42.539 1.00 0.00 ATOM 90 CB GLU 2 269 30.577 69.433 43.083 1.00 0.00 ATOM 91 CG GLU .2 269 31.019 68.539 44.250 1.00 0.00 ATOM 92 CD GLU 2 269 30.916 67.061 43.913 1.00 0.00 ATOM 93 OE1 GLU 2 269 29.896 66;604 43.423 1.00 0.00 ATOM 94 OE2 GLU 2 269 31.866 66.333 44.150 1.00 0.00 ATOM 95 H GLU 2 269 30.258 72.005 41.634 1.00 0.00 ATOM 96 N SER 2 270 32.690 72.248 44.138 1.00 0.00 ATOM 97 CA SER 2 270 34.124 72.348 44.436 1.00 0.00 ATOM 98 C SER 2 270 34.498 71.263 45.447 1.00 0.00 ATOM 99 O SER 2 270 33.771 70.281 45.590 1.00 0.00 ATOM 100 CB SER 2 270 34.480 73.772 44.896 1.00 0.00 ATOM 101 OG SER 2 270 35.875 74.054 44.661 1.00 0.00 ATOM 102 H SER 2 270 31.985 72.651 44.728 1.00 0.00 ATOM 103 HG SER 2 270 35.942 74.210 43.722 1.00 0.00 ATOM 104 N ALA 2 271 35.619 71.442 46.162 1.00 0.00 ATOM 105 CA ALA 2 271 35.890 70.381 47.135 1.00 0.00 ATOM 106 C ALA 2 271 34.803 70.275 48.204 1.00 0.00 ATOM I07 O ALA 2 271 34.192 69.238 48.444 1.00 0.00 ATOM 108 CB ALA 2 271 37.250 70.596 47.803 1.00 0.00 ATOM 109 H ALA 2 271 36.176 72.271 46.077 1.00 0.00 ATOM 110 N GLU 2 272 34.610 71.439 48.827 1.00 0.00 ATOM 111 CA GLU 2 272 33.845 71.483 50.066 1.00 0.00 ATOM 112 C GLU 2 272 32.335 71.544 49.939 1.00 0.00 ATOM 113 O GLU 2 272 31.620 71.268 50.891 1.00 0.00 ATOM 114 CB GLU 2 272 34.390 72.588 80.985 1.00 0.00 ATOM 115 CG GLU 2 272 34.956 73.839 50.288 1.00 0.00 ATOM 116 CD GLU 2 272 33.873 74.606 49.557 1.00 0.00 ATOM 117 OEl GLU 2 272 33.401 75.602 50.087 1.00 0.00 ATOM 118 OE2 GLU 2 272 33.466 74.225 48.460 1.00 0.00 ATOM 119 H GLU 2 272 34.916 72.287 48.392 1.00 0.00 ATOM 120 N ASP 2 273 31.849 71.872 48.733 1.00 0.00 ATOM 121 CA ASP 2 273 30.392 71.945 48.549 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 122 C ASP 2 273 29.550 70.796 49.096 1.00 0.00 ATOM 123 O ASP 2 273 28.420 70.959 49.553 1.00 0.00 ATOM 124 CB ASP 2 273 30.041 72.189 47.078 1.00 0.00 ATOM 125 CG ASP 2 273 30.263 73.646 46.719 1.00 0.00 ATOM 126 ODl ASP 2 273 31.299 73.987 46.162 1.00 0.00 ATOM 127 OD2 ASP 2 273 29.415 74.479 47.011 1.00 0.00 ATOM 128 H ASP 2 273 32.482 72.373 48.144 1.00 0.00 ' ATOM 129 N LEU 2 274 30.126 69.581 49.OI3 1.00 0.00 ATOM 130 CA LEU 2 274 29.339 68.439 49.499 1.00 0.00 ATOM 131 C LEU 2 274 29.259 68.314 51.010 1.00 0.00 ATOM 132 O LEU 2 274 28.386 67.661 51.586 1.00 0.00 ATOM 133 CB LEU 2 274 29.806 67.116 48.904 1.00 0.00 ATOM 134 CG LEU 2 274 29.570 66.957 47.405 1.00 0.00 ATOM 135 CD1 LEU 2 274 30.022 65.576 46.940 1.00 0.00 ATOM 136 CD2 LEU 2 274 28.122 67.223 46.999 1.00 0.00 ATOM 137 H LEU 2 274 31.110 59.509 48.840 1.00 0.00 ATOM 138 N ALA 2 275 30.193 69.024 51.652 1.00 0.00 ATOM 139 CA ALA 2 275 29.824 69.388 53.032 1.00 0.00 ATOM 140 C ALA 2 275 28.951 70.554 53.158 1.00 0.00 ATOM 141 O ALA 2 275 27.887 70.431 53.776 1.00 0.00 ATOM 142 CB ALA 2 275 31.227 69.699 53.774 1.00 0.00 ATOM 143 H ALA 2 275 30.957 69.441 51.153 1.00 0.00 ATOM 144 N LYS 2 276 29.388 71.682 52.567 1.00 0.00 ATOM 145 CA LYS 2 276 28.917 73.011 52.965 1.00 0.00 ATOM 146 C LYS 2 276 27.572 73.501 52.470 1.00 0.00 ATOM 147 O LYS 2 276 26.882 74.266 53.143 1.00 0.00 ATOM 148 CB LYS 2 276 30.016 74.083 52.767 1.00 0.00 ATOM 149 CG LYS 2 276 30.565 74.479 51.375 1.00 0.00 ATOM 150 CD LYS 2 276 29.653 75.293 50.438 1.00 0.00 ATOM 151 CE LYS 2 276 30.361 76.324 49.529 1.00 0.00 ATOM 152 NZ LYS 2 276 31.329 75.732 48.594 1.00 0.00 ATOM 153 H LYS 2 276 30.169 71.575 51.953 1.00 0.00 ATOM 154 1HZ LYS 2 276 31.965 75.061 49.077 1.00 0.00 ATOM 155 2HZ LYS 2 276 30.902 75.230 47.792 1.00 0.00 ATOM 156 3HZ LYS 2 276 31.995 76.440 48.234 1.00 0.00 ATOM 157 N GLN 2 277 27.207 73.065 51.255 1.00 0.00 ATOM 158 CA GLN 2 277 25.881 73.478 50.796 1.00 0.00 ATOM 159 C GLN 2 277 24.785 72.689 51.490 1.00 0.00 ATOM 160 O GLN 2 277 24.409 71.601 51.067 1.00 0.00 ATOM 161 CB GLN 2 277 25.780 73.382 49.270 1.00 0.00 ATOM 162 CG GLN 2 277 24.403 73.689 48.657 1.00 0.00 ATOM 163 CD GLN 2 277 24.124 75.176 48.554 1.00 0.00 ATOM 164 OE1 GLN 2 277 23.176 75.717 49.124 1.00 0.00 ATOM 165 NE2 GLN 2 277 24.965 75.821 47.738 1.00 0.00 ATOM 166 H GLN 2 277 27.745 72.361 50.781 1.00 0.00 ATOM 167 1HE2 GLN 2 277 24.935 76.811 47.611 1.00 0.00 ATOM 168 2HE2 GLN 2 277 25.644 75.302 47.218 1.00 0.00 ATOM 169 N THR 2 278 24.295 73.316 525.5691.00 0.00 ATOM 170 CA THR 2 278 23.206 72.798 53.406 1.00 0.00 ATOM 171 C THR 2 278 22.141 71.927 52.704 1.00 D.00 ATOM 172 O THR 2 278 21.101 72.343 52.185 1.00 0.00 ATOM 173 CB THR 2 278 22.674 74.004 54.219 1.00 0.00 ATOM 174 OG1 THR 2 278 21.861 73.627 55.344 1.00 0.00 ATOM 175 CG2 THR 2 278 21.993 75.073 53.358 1.00 0.00 ATOM 176 H THR 2 278 24.785 74.138 52.856 1.00 0.00 ATOM 177 HG1 THR 2 278 22.073 74.231 56.053 1.00 0.00 ATOM 178 N GLU 2 279 22.488 70.623 53.704 1.00 0.00 ATOM 179 CA GLU 2 279 21.927 69.631 51.778 1. 0.00 OD

ATOM 180 C GLU 2 279 21.921 70.050 50.316 1.00 0.00 ATOM 181 O GLU 2 279 21.165 70.913 49.854 1.00 0.00 ATOM 182 CB GLU 2 279 20.592 69.032 52.246 1.00 0.00 ATOM 183 CG GLU 2 279 20.020 67.960 51.297 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM184 CD GLU 2 279 19.094 68.609 50.283 1.00 0.00 ATOM185 OEl GLU 2 279 17.986 68.942 50.650 1.00 0.00 ATOM186 OE2 GLU 2 279 19.453 68..82649.136 1.00 0.00 ATOM187 H GLU 2 279 23.386 70:431 53.090 1.00 0.00 ATOM188 N ILE 2 280 22.841 69.363 49.644 1.00 0.00 ATOM189 CA ILE 2 280 23.110 69.499 48.222 1.00 0.00 ATOM190 C ILE 2 280 22.881 68.131 47.609 1.00 0.00 ~-ATOMi91 O ILE 2 280 23.606 67.168 47.852 1.00 0.00 ATOM192 CB ILE 2 280 24.552 70.013 48.043 1.00 0.00 ~

ATOM193 CG1 ILE 2 280 25.030 70.009 46.592 1.00 0.00 ATOM194 CG2 ILE 2 280 25.547 69.269 48.951 1.00 0.00 ATOM195 CD1 ILE 2 280 26.420 70.634 46.463 1.00 0.00 ATOM196 H ILE 2 280 23.311 68.638 50.148 1.00 0.00 ATOM197 N ALA 2 281 21.785 68.037 46.859 1.00 0.00 ATOM198 CA ALA 2 281 21.440 66.669 46.493 1.00 0.00 ATOM199 C AI~A2 281 22.028 66.231 45.172 1.00 0.00 ATOM200 O ALA 2 281 21.326 66.073 44.167 1.00 0.00 ATOM201 CB ALA 2 281 19.928 66.465 46.493 1.00 0.00 ATOM202 H ALA 2 281 21.266 68.813 46.512 1.00 0.00 ATOM203 N TYR 2 282 23.364 66.058 45.210 1.00 0.00 ATOM204 CA TYR 2 282 23.982 65.503 44.012 1.00 0.00 ATOM205 C TYR 2 282 23.504 64.093 43.724 1.00 0.00 ATOM206 O TYR 2 282 22.951 63.394 44.575 1.00 0.00 ATOM207 CB TYR 2 282 25.515 65.707 44.029 1.00 0.00 ATOM208 CG TYR 2 282 26.364 64.515 44.435 1.00 0.00 ATOM209 CD1 TYR 2 282 26.981 63.765 43.414 1.00 0.00 ATOM210 CD2 TYR 2 282 26.562 64.209 45.798 1.00 0.00 ATOM211 CE1 TYR 2 282 27.851 62.717 43.759 1.00 0.00 ATOM212 CE2 TYR 2 282 27.441 63.165 46.144 1.00 0.00 ATOM213 CZ TYR 2 282 28.084 62.436 45.120 1.00 0.00 ATOM214 OH TYR 2 282 28.959 61.406 45.442 1.00 0.00 ATOM215 H TYR 2 282 23.773 66.009 46.120 1.00 0.00 ATOM216 HH TYR 2 282 29.388 61.649 46.270 1.00 0.00 ATOM217 N GLY 2 283 23.667 63.706 42.474 1.00 0.00 ATOM218 CA GLY 2 283 22.968 62.498 42.089 1.00 0.00 ATOM219 C GLY 2 283 23.562 62.006 40.818 1.00 0.00 ATOM220 O GLY 2 283 24.474 62.628 40.270 1.00 0.00 ATOM221 H GLY 2 283 24.147 64.280 41.815 1.00 0.00 ATOM222 N THR 2 284 23.015 60.879 40.380 1.00 0.00 ATOM223 CA THR 2 284 23.772 60.075 39.428 1.00 0.00 ATOM224 C THR 2 284 22.893 59.153 38.616 1.00 0.00 ATOM225 O THR 2 284 21.764 58.788 38.984 1.00 0.00 ATOM226 CB THR 2 284 24.852 59.288 40.200 1.00 0.00 ATOM227 OGl THR 2 284 25.764 58.575 39.343 1.00 0.00 ATOM228 CG2 THR 2 284 24.250 58.343 41.251 1.00 0.00 ATOM229 H THR 2 284 22.167 60.561 50.802 1.00 0.00 ATOM230 HG1 THR 2 284 25.479 57.664 39.436 1.00 0.00 ATOM231 N LEU 2 285 23.500 58.725 37.486 1.00 0.00 ATOM232 CA LEU 2 285 22.981 57.583 36.732 1.00 0.00 ATOM233 C LEU 2 285 22.958 56.318 37.570 1.00 0.00 ATOM234 O LEU 2 285 23.981 55.684 37.816 1.00 0.00 ATOM235 CB LEU 2 285 23.753 57.355 35.416 1.00 0.00 ATOM236 CG LEU 2 285 25.273 57.109 35.479 1.00 0.00 ATOM237 CD1 LEU 2 285 25.726 56.206 34.332 1.00 0.00 ATOM238 CD2 LEU 2 285 26.110 58.390 35.534 1.00 0.00 ATOM239 H LEU 2 285 24.324 59.245 37.263 1.00 0.00 ATOM240 N ASP 2 286 21.747 56.017 38.047 1.00 0.00 ATOM241 CA ASP 2 286 21.498 54.892 39.940 1.00 0.00 ATOM242 C ASP 2 286 22.270 53.604 38.675 1.00 0.00 ATOM243 O ASP 2 286 22.712 52.962 39.626 1.00 0.00 ATOM244 CB ASP 2 286 19.987 54.611 39.002 1.00 0.00 ATOM245 CG ASP 2 286 19.212 55.566 39.912 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 246 OD1 ASP 2 286 19.369 56.781 39.852 1.00 0.00 ATOM 247 OD2 ASP 2 286 18.404 55.090 40.695 1.00 0.00 ATOM 248 H ASP 2 286 20.999 56.664 37.947 I.00_0.00 ATOM 249 N SER 2 287 22.380 53.245 37.377 1.00 0.00 ATOM 250 CA SER 2 287 23.007 51.964 37.030 1.00 0.00 ATOM 251 C SER 2 287 24.504 51.867 37.330 1.00 0.00 -ATOM 252 O SER 2 287 25.076 50.802 37.554 1.00 0.00 ATOM 253 CB SER 2 287 _22.80251.615 35.536 1.00 0.00 ATOM 254 OG SER 2 287 21.462 51.866 35.069 1.00 0.00 ATOM 255 H SER 2 287 22.187 53.919 36.661 1.00 0.00 ATOM 256 HG SER 2 287 2D.999 52.147 35.855 1.00 0.00 ATOM 257 N GLY 2 288 25.167 53.031 37.230 1.00 0.00 ATOM 258 CA GLY 2 288 26.626 52.984 37.096 1.00 0.00 ATOM 259 C GLY 2 288 27.377 52.478 38.312 1.00 0.00 ATOM 260 O GLY 2 288 27.650 53.230 39.243 1.00 0.00 ATOM 261 H GLY 2 288 24.628 53.877 37.232 1.00 0.00 ATOM 262 N SER 2 289 27.719 51.171 38.290 1.00 0.00 ATOM 263 CA SER 2 289 28.385 50.590 39.470 1.00 0.00 ATOM 264 C SER 2 289 29.704 51.269 39.806 1.00 0.00 ATOM 265 O SER 2 289 29.976 51.724 40.915 1.00 0.00 ATOM 266 CB SER 2 289 28.590 49.078 39.285 1.00 0.00 ATOM 267 OG SER 2 289 29.316 48.500 40.387 1.00 0.00 ATOM 268 H SER 2 289 27.456 50.611 37.499 1.00 O.OO

ATOM 269 HG SER 2 289 28.731 48.548 41.142 1.00 0.00 ATOM 270 N THR 2 290 30.526 51.368 38.759 1.00 0.00 ATOM 271 CA THR 2 290 31.748 52.134 38.962 1.00 0.00 ATOM 272 C THR 2 290 31.539 53.581 39.389 1.00 0.00 ATOM 273 O THR 2 290 32.361 54.179 40.073 1.00 0.00 ATOM 274 CB THR 2 290 32.627 52.021 37.719 1.00 0.00 ATOM 275 OG1 THR 2 290 31.837 51.651 36.571 1.00 0.00 ATOM 276 CG2 THR 2 290 33.738 50.994 37.944 1.00 0.00 ATOM 277 H THR 2 290 30.222 51.165 37.830 1.00 0.00 ATOM 278 HG1 THR 2 290 32.377 51.096 35.999 1.00 0.00 ATOM 279 N LYS 2 2901 30.392 54.153 38.992 1.00 0.00 ATOM 280 CA LYS 2 2901 30.094 55.503 39.487 1.00 0.00 ATOM 281 C LYS 2 2901 29.635 55.560 40.940 1.00 0.00 ATOM 282 O LYS 2 2901 29.947 56.483 41.678 1.00 0.00 ATOM 283 CB LYS 2 2901 29.128 56.262 38.566 1.00 0.00 ATOM 284 CG LYS 2 2901 29.702 56.615 37.185 1.00 0.00 ATOM 285 CD LYS 2 2901 29.647 55.485 36.151 1.00 0.00 ATOM 286 CE LYS 2 2901 30.302 55.839 34.814 1.00 0.00 ATOM 287 NZ LYS 2 2901 31.765 55.879 34.951 1.00 0.00 ATOM 288 H LYS 2 2901 29.714 53.581 38.523 1.00 0.00 ATOM 289 1HZ LYS 2 2901 32.233 56.069 34.047 1.00 0.00 ATOM 290 2HZ LYS 2 2901 32.081 56.627 35.591 1.00 0.00 ATOM 291 3HZ LYS 2 2901 32.185 55.008 35.303 1.00 0.00 ATOM 292 N GLU 2 291 28.945 54.474 41.341 1.00 0.00 ATOM 293 CA GLU 2 291 28.532 54.306 42.737 1.00 0.00 ATOM 294 C GLU 2 291 29.727 54.367 43.675 1.00 0.00 ATOM 295 O GLU 2 291 29.695 54.985 44.732 1.00 0.00 ATOM 296 CB GLU 2 291 27.761 52.982 42.873 1.00 0.00 ATOM 297 CG GLU 2 291 26.958 52.724 44.160 1.00 0.00 ATOM 298 CD GLU 2 291 27.841 52.600 45.391 1.00 0.00 ATOM 299 OE1 GLU 2 291 27.557 53.263 46.380 1.00 0.00 ATOM 300 OE2 GLU 2 291 28.820 51.862 45.380 1.00 0.00 ATOM 301 H GLU 2 291 28.838 53.748 40.663 1.00 0.00 ATOM 302 N PHE 2 292 30.799 53.720 43.178 1.00 0.00 ATOM 303 CA PHE 2 292 32.086 53.928 43.833 1.00 0.00 ATOM 304 C PHE 2 292 32.600 55.351 43.688 1.00 0.00 ATOM 305 O PHE 2 292 32.199 56.151 44.619 1.00 0.00 ATOM 306 CB PHE 2 292 33.131 52.899 43.368 1.00 0.00 ATOM 307 CG PHE 2 292 32.589 51.486 43.412 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 308 CDl PHE 2 292 32.575 50.730 42.221 1.00 0.00 ATOM 309 CD2 PHE 2 292 32.109 50.943 44.625 1.00 0.00 ATOM 310 CE1 PHE 2 292 32.055 49.422 42.233 1.00 0.00 ATOM 311 CE2 PHE 2 292 31.587 49.635 44.641 1.00 0.00 ATOM 312 CZ PHE 2 292 31.558 48.891 43.442 1.00 0.00 ATOM 313 H PHE 2 292 60.681 53.226 42.313 1.00 0.00 ATOM 314 N PHE 2 293 33.113 55.616 42.468 1.00 0.00 -ATOM 315 CA PHE 2 293 33.979 56.765 42.193 1.00 0.00 ATOM 316 C PHE 2 293 33.633 58.054 42.925 1.00 0.00 -ATOM 317 O PHE 2 293 34.204 58.388 43.958 1.00 0.00 ATOM 318 CB PHE 2 293 34.072 56.947 40.667 1.00 0.00 ATOM 319 CG PHE 2 293 35.180 57.893 40.263 1.00 0.00 ATOM 320 CD1 PHE 2 293 34.846 59.172 39.767 1.00 0.00 ATOM 321 CD2 PHE 2 293 36.527 47.482 40.372 1.00 0.00 ATOM 322 CE1 PHE 2 293 35.870 60.052 39.368 1.00 0.00 ATOM 323 CE2 PHE 2 293 37.553 58.361 39.974 1.00 0.00 ATOM 324 CZ PHE 2 293 37.214 59.636 39.472 1.00 0.00 ATOM 325 H PHE 2 293 32.949 54.926 41.766 1.00 0.00 ATOM 326 N ARG 2 294 32.632 58.759 42.373 1.00 0.00 ATOM 327 CA ARG 2 294 32.265 60.046 42.969 1.00 0.00 ATOM 328 C ARG 2 294 31.877 59.981 44.442 1.00 0.00 ATOM 329 O ARG 2 294 32.233 60.840 45.248 1.00 0.00 ATOM 330 CB ARG 2 294 31.185 60.741 42.129 1.00 0.00 ATOM 331 CG ARG 2 294 31.156 62.270 42.283 1.00 0.00 ATOM 332 CD ARG 2 294 32.400 62.957 41.708 1.00 0.00 ATOM 333 NE ARG 2 294 32.390 64.400 41.952 1.00 0.00 ATOM 334 CZ ARG 2 294 33.419 65.174 41.524 1.00 0.00 ATOM 335 NHl ARG 2 294 33.445 66.439 41.891 1.00 0.00 ATOM 336 NH2 ARG 2 294 34.400 64.693 40.757 1.00 0.00 ATOM 337 H ARG 2 294 32.123 58.395 41.600 1.00 0.00 ATOM 338 HE ARG 2 294 31.655 64.819 42.507 1.00 0.00 ATOM 339 1HH1 ARG 2 294 34.186 67.045 41.616 1.00 0.00 ATOM 340 2HH1 ARG 2 294 32.712 66.787 42.483 1.00 0.00 ATOM 341 1HH2 ARG 2 294 34.323 63.790 40.345 1.00 0.00 ATOM 342 2HH2 ARG 2 294 35.215 65.268 40.614 1.00 0.00 ATOM 343 N ARG 2 295 31.175 58.888 44.788 1.00 0.00 ATOM 344 CA ARG 2 295 30.829 58.695 46.200 1.00 0.00 ATOM 345 C ARG 2 295 31.999 58.531 47.171 1.00 0.00 ATOM 346 O ARG 2 295 31.906 58.823 48.365 1.00 0.00 ATOM 347 CB ARG 2 295 29.797 57.566 46.302 1.00 0.00 ATOM 348 CG ARG 2 295 29.245 57.202 47.687 1.00 0.00 ATOM 349 CD ARG 2 295 30.019 56.113 48.436 1.00 0.00 ATOM 350 NE ARG 2 295 29.886 54.810 47.786 1.00 0.00 ATOM 351 CZ ARG 2 295 30.945 54.128 47.324 1.00 0.00 ATOM 352 NH1 ARG 2 295 30.742 52.903 46.878 1.00 0.00 ATOM 353 NH2 ARG 2 295 32.161 54.668 47.312 1.00 0.00 ATOM 354 H ARG 2 295 30.931 58.229 44.077 1.00 0.00 ATOM 355 HE ARG 2 295 29.003 54.347 47.661 1.00 0.00 ATOM 356 1HH1 ARG 2 295 31.467 52.248 46.680 1.00 0.00 ATOM 357 2HH1 ARG 2 295 29.786 52.606 46.720 1.00 0.00 ATOM 358 1HH2 ARG 2 295 32.948 54.187 46.928 1.00 0.00 ATOM 359 2HH2 ARG 2 295 32.310 55.591 47.668 1.00 0.00 ATOM 360 N SER 2 296 33.131 58.065 46.626 1.00 0.00 ATOM 361 CA SER 2 296 34.260 57.764 47.512 1.00 0.00 ATOM 362 C SER 2 296 34.869 58.924 48.300 1.00 0.00 ATOM 363 O SER 2 296 35.612 58.735 49.261 1.00 0.00 ATOM 364 CB SER 2 296 35.296 56.934 46.754 1.00 0.00 ATOM 365 OG SER 2 296 34.608 55.845 46.096 1.00 0.00 ATOM 366 H SER 2 296 33.146 57.881 45.643 1.00 0.00 ATOM 367 HG SER 2 296 34.395 56.177 45.217 1.00 0.00 ATOM 368 N LYS 2 297 34.438 60.139 47.916 1.00 0.00 ATOM 369 CA LYS 2 297 34.660 61.363 48.681 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 370 C LYS 2 297 34.436 61.225 50.186 1.00 0.00 ATOM 371 O LYS 2 297 35.230 61.701 50.983 1.00 0.00 ATOM 372 CB LYS 2 297 33.829 52:471 48.020 1.00 0.00 ATOM 373 CG LYS 2 297 34.223 63.921 48.318 1.00 0.00 ATOM 374 CD LYS 2 297 33.804 64.829 47.153 1.00 0.00 ATOM 375 CE- LYS 2 297 34.072 66.324 47.361 1.00 0.00 ATOM 376 _ LYS 2 297 33.055 66.888 48.250 1.00 0.00 NZ

ATOM 377 H LYS 2 297 33.888 60.186 47.087 1.00 0.00 ATOM 378 1HZ LYS 2 297 32.862 66.272 49.065 1.00 0.00 ATOM 379 2HZ LYS 2 297 33.404 67.770 48.686 1.00 0.00 ATOM 380 3HZ LYS 2 297 32.157 67.089 47.767 1.00 0.00 ATOM 381 N ILE 2 298 33.384 60.468 50.539 1.00 0.00 ATOM 382 CA ILE 2 298 33.172 60.218 41.981 1.00 0.00 ATOM 383 C ILE 2 298 34.255 59.388 52.672 1.00 0.00 ATOM 384 O ILE 2 298 34.600 59.592 53.830 1.00 0.00 ATOM 385 CB ILE 2 298 31.750 59.669 52.209 1.00 0.00 ATOM 386 CG1 ILE 2 298 31.360 59.681 53.689 1.00 0.00 ATOM 387 CG2 ILE 2 298 31.568 58.269 51.603 1.00 0.00 ATOM 388 CD1 ILE 2 298 29.886 59.336 53.917 1.00 0.00 ATOM 389 H ILE 2 298 32.831 60.019 49.838 1.00 0.00 ATOM 390 N ALA 2 299 34.810 58.432 51.907 1.00 0.00 ATOM 391 CA ALA 2 299 35.835 57.551 52.474 1.00 0.00 ATOM 392 C ALA 2 299 37.203 58.198 52.590 1.00 0.00 ATOM 393 O ALA 2 299 37.986 57.932 53.496 1.00 0.00 ATOM 394 CB ALA 2 299 35.957 56.272 51.644 1.00 0.00 ATOM 395 H ALA 2 299 34.555 58.334 50.947 1.00 0.00 ATOM 396 N VAL 2 300 37.449 59.113 51.643 1.00 0.00 ATOM 397 CA VAL 2 300 38.522 60.069 51.905 1.00 0.00 ATOM 398 C VAL 2 300 37.920 61.305 52.554 1.00 0.00 ATOM 399 O VAL 2 300 37.738 52.337 51.918 1.00 0.00 ATOM 400 CB VAL 2 300 39.273 60.411 50.608 1.00 0.00 ATOM 401 CG1 VAL 2 300 40.550 61.211 50.893 1.00 0.00 ATOM 402 CG2 VAL 2 300 39.583 59.151 49.794 1.00 0.00 ATOM 403 H VAL 2 300 36.828 59.223 50.868 1.00 0.00 ATOM 404 N TYR 2 301 37.542 61.087 53.825 1.00 0.00 ATOM 405 CA TYR 2 301 36.597 61.901 54.603 1.00 0.00 ATOM 406 C TYR 2 301 36.372 63.395 54.374 1.00 0.00 ATOM 407 O TYR 2 301 36.581 64.209 55.275 1.00 0.00 ATOM 408 CB TYR 2 301 36.816 61.647 56.101 1.00 0.00 ATOM 409 CG TYR 2 301 36.279 60.295 56.519 1.00 0.00 ATOM 410 CD1 TYR 2 301 37.163 59.202 56.629 1.00 0.00 ATOM 411 CD2 TYR 2 301 34.903 60.170 56.804 1.00 0.00 ATOM 412 CEl TYR 2 301 36.663 57.959 57.056 1.00 0.00 ATOM 413 CE2 TYR 2 301 34.402 58.926 57.222 1.00 0.00 ATOM 414 CZ TYR 2 301 35.290 57.840 57.356 1.00 0.00 ATOM 415 OH TYR 2 301 34.795 56.627 57.804 1.00 0.00 ATOM 416 H TYR 2 301 37.815 60.200 54.197 1.00 0.00 ATOM 417 HH TYR 2 301 35.421 56.250 58.417 1.00 0.00 ATOM 418 N GLU 2 302 35.833 63.716 53.190 1.00 0.00 ATOM 419 CA GLU 2 302 34.943 64.873 53.164 1.00 0.00 ATOM 420 C GLU 2 302 33.539 64.323 53.615 1.00 0.00 ATOM 421 O GLU 2 302 33.289 63.170 52.963 1.00 0.00 ATOM 422 CB GLU 2 302 35.149 65.690 51.879 1.00 0.00 ATOM 423 CG GLU 2 302 39.482 67.078 51.885 1.00 0.00 ATOM 424 CD GLU 2 302 33.216 67.115 51.041 1.00 0.00 ATOM 425 OE1 GLU 2 302 32.860 68.171 50.540 1.00 0.00 ATOM 426 OE2 GLU 2 302 32.581 66.097 50.813 1.00 0.00 ATOM 427 H GLU 2 302 35.880 63.072 52.426 1.00 0.00 ATOM 428 N LYS 2 303 32.647 65.135 53.908 1.00 0.00 ATOM 429 CA LYS 2 303 31.351 64.595 54.322 1.00 0.00 ATOM 430 C LYS 2 303 30.584 63.858 53.232 1.00 0.00 ATOM 431 O LYS 2 303 30.059 62.767 53.437 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 432 CB LYS 2 303 30.512 65.703 54.978 1.00 0.00 ATOM 433 CG LYS 2 303 29.155 65.246 55.533 1.00 0.00 ATOM 434 CD LYS 2 303 27.983 65..80154.720 1.OQ 0.00 ATOM 435 CE LYS 2 303 27.837 67.309 54.903 1.00 0.00 ATOM 436 NZ LYS 2 303 27.006 67.885 53.840 1.00 0.00 ATOM 437 H LYS 2 303 32.971 66.061 54.092 1.00 0.00 _ ATOM 438 1HZ LYS 2 303 27.406 67.678 52.903 1.00 0.00 ATOM 439 2HZ LYS 2 303 26.054 67.481 53.894 1.00 0.00 ATOM 440 3HZ LYS 2 303 26.993 68.921 53.937 1.00 0.00 ATOM 441 N MET 2 304 30.558 64.512 52.063 1.00 0.00 ATOM 442 CA MET 2 304 29.870 64.040 50.859 1.00 0.00 ATOM 443 C MET 2 304 28.349 64.030 50.863 1.00 0.00 ATOM 444 O MET 2 304 27.735 64.443 49.879 1.00 0.00 ATOM 445 CB MET 2 304 30.398 62.694 50.358 1.00 0.00 ATOM 446 CG MET 2 304 29.915 62.406 48.938 1.00 0.00 ATOM 447 SD MET 2 304 29.810 60.658 48.586 1.00 0.00 ATOM 448 CE MET 2 304 28.597 60.203 49.831 1.00 0.00 ATOM 449 H MET 2 304 31.067 65.371 51.993 1.00 0.00 ATOM 450 N TRP 2 305 27.790 63.526 51.982 1.00 0.00 ATOM 451 CA TRP 2 305 26.370 63.230 52.140 1.00 0.00 ATOM 452 C TRP 2 305 25.942 62.087 51.242 1.00 0.00 ATOM 453 O TRP 2 305 26.016 62.164 50.017 1.00 0.00 ATOM 454 CB TRP 2 305 25.508 64.496 51.966 1.00 0.00 ATOM 455 CG TRP 2 305 24.065 64.246 52.338 1.00 0.00 ATOM 456 CD1 TRP 2 305 23.567 63.888 53.601 1.00 0.00 ATOM 457 CD2 TRP 2 305 22.909 64.320 51.477 1.00 0.00 ATOM 458 NE1 TRP 2 305 22.215 63.740 53.575 1.00 0.00 ATOM 459 CE2 TRP 2 305 21.764 63.996 52.281 1.00 0.00 ATOM 460 CE3 TRP 2 305 22.749 64.627 50.109 1.00 0.00 ATOM 461 CZ2 TRP 2 305 20.480 63.984 51.695 1.00 0.00 ATOM 462 CZ3 TRP 2 305 21.460 64.611 49.538 1.00 0.00 ATOM 463 CH2 TRP 2 305 20.332 64.291 50.325 1.00 0.00 ATOM 464 H TRP 2 305 28.425 63.168 52.656 1.00 0.00 ATOM 465 HE1 TRP 2 305 21.643 63.522 54.345 1.00 0.00 ATOM 466 N SER 2 306 25.472 61.008 51.890 1.00 0.00 ATOM 467 CA SER 2 306 24.819 60.017 51.040 1.00 0.00 ATOM 468 C SER 2 306 23.575 60.587 50.418 1.00 0.00 ATOM 469 O SER 2 306 22.826 61.335 51.038 1.00 0.00 ATOM 470 CH SER 2 306 24.564 58.715 51.778 1.00 0.00 ATOM 471 OG SER 2 306 25.848 58.179 52.135 1.00 0.00 ATOM 472 H SER 2 306 25.352 61.048 52.876 1.00 0.00 ATOM 473 HG SER 2 306 26.425 58.942 52.074 1.00 0.00 ATOM 474 N TYR 2 307 53.542 60.305 49.131 1.00 0.00 ATOM 475 CA TYR 2 307 22.789 61.041 48.132 1.00 0.00 ATOM 476 C TYR 2 307 22.098 59.957 47.345 1.00 0.00 ATOM 477 O TYR 2 307 22.122 58.802 47.777 1.00 0.00 ATOM 478 CB TYR 2 307 23.788 61.856 47.276 1.00 0.00 ATOM 479 CG TYR 2 307 24.746 60.990 46.461 1.00 0.00 ATOM 480 CD1 TYR 2 307 24.655 61.027 45.054 1.00 0.00 ATOM 481 CD2 TYR 2 307 25.696 60.168 47.106 1.00 0.00 ATOM 482 CE1 TYR 2 307 25.494 60.209 44.279 1.00 0.00 ATOM 483 CE2 TYR 2 307 26.524 59.336 46.337 1.00 0.00 ATOM 484 CZ TYR 2 307 26.409 59.361 44.934 1.00 0.00 ATOM 485 OH TYR 2 307 27.227 58.533 44.186 1.00 0.00 ATOM 486 H TYR 2 307 24.058 59.508 48.821 1.00 0.00 ATOM 487 HH TYR 2 307 27.719 59.115 43.610 1.00 0.00 ATOM 488 N MET 2 308 21.585 60.316 46.157 1.00 0.00 ATOM 489 CA MET 2 308 21.196 59.236 45.255 1.00 0.00 ATOM 490 C MET 2 308 22.196 58.087 45.149 1.00 0.00 ATOM 491 O MET 2 308 23.422 58.226 45.165 1.00 0.00 ATOM 492 CB MET 2 308 20.866 59.783 43.865 1.00 0.00 ATOM 493 CG MET 2 308 19.888 60.959 43.910 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM 494 SD MET 2 308 19.528 61.631 42.281 1.00 0.00 ATOM 495 CE MET 2 308 19.121 63.307 42.802 1.00 0.00 ATOM 496 H MET 2 308 21.555 61.275 45.891 1.00 0.00 ATOM 497 N LYS 2 309 21.585 56.898 45.081 1.00 0.00 ATOM 498 CA LYS 2 309 22.342 55.679 44.798 1.00 0.00 ATOM 499 C LYS 2 309 21.698 55.052 43.580 1.00 0.00 ~

ATOM 500 O LY5 2 309 21.109 55.783 42.791 1.00 0.00 ' ATOM 501 CB LYS 2 309 22.337 54.753 46.021 1.00 0.00 ATOM 502 CG LYS 2 309 23.731 54.603 46.638 1.00 0.00 ATOM 503 CD LYS 2 309 24.264 55.907 47.236 1.00 0.00 ATOM 504 CE LYS 2 309 25.748 55.854 47.593 1.00 0.00 ATOM 505 NZ LYS 2 309 26.535 55.603 46.378 1.00 0.00 ATOM 506 H LYS 2 309 20.584 56.895 45.110 1.00 0.00 ATOM 507 1HZ LYS 2 309 26.413 54.614 46.083 1.00 0.00 ATOM 508 2HZ LYS 2 309 26.265 56.222 45.592 1.00 0.00 ATOM 509 3HZ LYS 2 309 27.549 55.688 46.574 1.00 0.00 ATOM 510 N SER 2 310 21.755 53.718 43.462 1.00 0.00 ATOM 511 CA SER 2 310 20.764 53.046 42.617 1.00 0.00 ATOM 512 C SER 2 310 19.398 52.988 43.305 1.00 0.00 ATOM 513 O SER 2 310 18.987 51.965 43.839 1.00 0.00 ATOM 514 CB SER 2 310 21.264 51.633 42.285 1.00 0.00 ATOM 515 OG SER 2 310 22.661 51.655 41.940 1.00 0.00 ATOM 516 H SER 2 310 22.365 53.129 43.995 1.00 0.00 ATOM 517 HG SER 2 310 22.690 51.707 40.984 1.00 0.00 ATOM 518 N ALA 2 311 18.737 54.155 43.323 1.00 0.00 ATOM 519 CA ALA 2 311 17.644 54.346 44.279 1.00 0.00 ATOM 520 C ALA 2 311 16.231 53.945 43.857 1.00 0.00 ATOM 521 O ALA 2 311 15.469 53.382 44.641 1.00 0.00 ATOM 522 CB ALA 2 311 17.649 55.790 44.785 1.00 0.00 ATOM 523 H ALA 2 311 19.004 54.840 42.643 1.00 0.00 ATOM 524 N GLU 2 312 15.884 54.240 42.597 1.00 0.00 ATOM 525 CA GLU 2 312 14.538 53.848 42.191 1.00 0.00 ATOM 526 C GLU 2 312 14.656 52.729 41.172 1.00 0.00 ATOM 527 O GLU 2 312 15.185 52.945 40.087 1.00 0.00 ATOM 528 CB GLU 2 312 13.749 55.044 41.617 1.00 0.00 ATOM 529 CG GLU 2 312 12.956 55.912 42.620 1.00 0.00 ATOM 530 CD GLU 2 312 13.716 57.137 43.124 1.00 0.00 ATOM 531 OE1 GLU 2 312 14.834 56.999 43.604 1.00 0.00 ATOM 532 OE2 GLU 2 312 13.190 58.250 43.048 1.00 0.00 ATOM 533 H GLU 2 312 16.556 54.565 41.932 1.00 0.00 ATOM 534 N PRO 2 313 14.190 51.520 41.549 1.00 0.00 ATOM 535 CA PRO 2 313 14.325 50.369 40.646 1.00 0.00 ATOM 536 C PRO 2 313 13.242 50.430 39.568 1.00 0.00 ATOM 537 O PRO 2 313 12.575 49.318 39.349 1.00 0.00 ATOM 538 CB PRO 2 313 14.243 49.207 41.640 1.00 0.00 ATOM 539 CG PRO 2 313 13.275 49.692 42.721 1.00 0.00 ATOM 540 CD PRO 2 313 13.613 51.173 42.844 1.00 0.00 ATOM 541 N SER 2 314 13.061 51.461 38.909 1.00 0.00 ATOM 542 CA SER 2 314 11.891 51.632 38.056 1.00 0.00 ATOM 543 C SER 2 314 12.052 51.203 36.606 1.00 0.00 ATOM 544 O SER 2 314 11.918 52.010 35.687 1.00 0.00 ATOM 545 CB SER 2 314 11.434 53.084 38.174 1.00 0.00 ATOM 546 OG SER 2 314 12.532 53.858 38.679 1.00 0.00 ATOM 547 H SER 2 314 13.682 52.232 39.045 1.00 0.00 ATOM 548 HG SER 2 314 12.494 54.717 38.259 1.00 0.00 ATOM 549 N VAL 2 315 12.290 49.887 36.485 1.00 0.00 ATOM 550 CA VAL 2 315 12.253 49.121 35.237 1.00 0.00 ATOM 551 C VAL 2 315 13.345 49.363 34.197 1.00 0.00 ATOM 552 O VAL 2 315 13.970 48.426 33.709 1.00 0.00 ATOM 553 CB VAL 2 315 10.843 49.138 34.602 1.00 0.00 ATOM 554 CGl VAL 2 315 10.717 48.145 33.442 1.00 0.00 ATOM 555 CG2 VAL 2 315 9.757 48.853 35.645 1.00 0.00 SUBSTITUTE SHEET (RULE 2G) ATOM556 H VAL 2 315 12.470 49.399 37.341 1.00 0.00 ATOM557 N PHE 2 316 13.502 50.623 33.799 1.00 0.00 ATOM558 CA PHE 2 316 14.526 50..90932.800 1.00 0.00 ATOM559 C PHE 2 316 15.444 51.993 33.297 1.00 0.00 ATOM560 O PHE 2 316 15.137 52.718 34.246 1.00 0.00 ATOM561 CB_ PHE 2 316 13.907 53..36731.473 1.00 0.00 ATOM562 CG PHE 2 316 13.084 50.279 30.822 1.00 0.00 ' ATOM563 CD1 PHE 2 316 11.706 50.500 30.611 1.00 0.00 ATOM564 CD2 PHE 2 316 13.699 49.071 30.423 1.00 0.00 ATOM565 CE1 PHE 2 316 10.931 49.503 29.987 1.00 0.00 ATOM566 CE2 PHE 2 316 12.926 48.072 29.802 1.00 0.00 ATOM567 CZ PHE 2 316 11.549 48.299 29.589 1.00 0.00 ATOM568 H PHE 2 316 13.059 51.354 34.314 1.00 0.00 ATOM569 N THR 2 317 16.572 52.155 32.580 1.00 0.00 ATOM570 CA THR 2 317 17.449 53.238 33.035 1.00 0.00 ATOM572 C THR 2 317 16.789 54.623 33.035 1.00 0.00 ATOM572 O THR 2 317 16.737 55.301 34.061 1.00 0.00 ATOM573 CB THR 2 317 18.840 53.169 32.367 1.00 0.00 ATOM574 OG1 THR 2 317 19.778 54.041 33.020 1.00 0.00 ATOM575 CG2 THR 2 317 18.827 53.399 30.852 1.00 0.00 ATOM576 H THR 2 317 16.855 51.477 31.903 1.00 0.00 ATOM577 HGl THR 2 317 19.699 53.845 33.959 1.00 0.00 ATOM578 N LYS 2 318 16.149 54.962 31.888 1.00 0.00 ATOM579 CA LYS 2 318 15.389 56.221 31.815 1.00 0.00 ATOM580 C LYS 2 318 14.522 56.613 33.016 1.00 0.00 ATOM581 O LYS 2 318 14.302 57.799 33.283 1.00 0.00 ATOM582 CB LYS 2 318 14.572 56.276 30.506 1.00 0.00 ATOM583 CG LYS 2 318 13.743 57.557 30.288 1.00 0.00 ATOM584 CD LYS 2 318 12.238 57.373 30.548 1.00 0.00 ATOM585 CE LYS 2 318 11.545 58.533 31.285 1.00 0.00 ATOM586 NZ LYS 2 318 11.767 58.443 32.736 1.00 0.00 ATOM587 H LYS 2 318 16.316 54.413 31.072 1.00 0.00 ATOM588 1HZ LYS 2 318 11.321 59.224 33.269 1.00 0.00 ATOM589 2HZ LYS 2 318 11.392 57.530 33.064 1.00 0.00 ATOM590 3HZ LYS 2 318 12.771 58.472 32.989 1.00 0.00 ATOM591 N THR 2 319 14.008 55.589 33.710 1.00 0.00 ATOM592 CA THR 2 319 13.153 55.945 34.836 1.00 0.00 ATOM593 C THR 2 319 13.722 55.629 36.219 1.00 0.00 ATOM594 O THR 2 319 13.255 56.154 37.233 1.00 0.00 ATOM595 CB THR 2 319 11.744 55.403 34.554 1.00 0.00 ATOM596 OGl THR 2 319 11.347 55.860 33.243 1.00 0.00 ATOM597 CG2 THR 2 319 10.680 55.835 35.569 1.00 0.00 ATOM598 H THR 2 319 14.268 54.637 33.532 1.00 0.00 ATOM599 HG1 THR 2 319 10.728 55.197 32.926 1.00 0.00 ATOM600 N THR 2 320 14.796 54.819 36.209 1.00 0.00 ATOM601 CA THR 2 320 15.556 54.692 37.454 1.00 0.00 ATOM602 C THR 2 320 16.167 56.006 37.932 1.00 0.00 ATOM603 O THR 2 320 16.116 56.391 39.095 1.00 0.00 ATOM604 CB THR 2 320 16.623 53.593 37.324 1.00 0.00 ATOM605 OG1 THR 2 320 17.427 53.771 36.147 1.00 0.00 ATOM606 CG2 THR 2 320 16.008 52.193 37.270 1.00 0.00 ATOM607 H THR 2 320 15.165 54.463 35.355 1.00 0.00 ATOM608 HG1 THR 2 320 17.030 53.203 35.486 1.00 0.00 ATOM609 N ALA 2 321 16.728 56.732 36.955 1.00 0.00 ATOM610 CA ALA 2 321 17.345 58.013 37.281 1.00 0.00 ATOM611 C ALA 2 321 16.616 59.203 36.681 1.00 0.00 ATOM612 O ALA 2 321 17.194 60.090 36.043 1.00 0.00 ATOM613 CB ALA 2 321 18.798 58.030 , 36.7971.00 0.00 ATOM614 H ALA 2 321 16.790 56.351 36.034 1.00 0.00 ATOM615 N ASP 2 322 15.285 59.214 36.875 1.00 0.00 ATOM616 CA ASP 2 322 14.547 60.147 36.021 1.00 0.00 ATOM617 C ASP 2 322 14.819 61.646 36.170 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM618 O ASP 2 322 14.493 62.314 37.155 1.00 0.00 ATOM619 CB ASP 2 322 13.044 59.848 36.016 1.00 0.00 ATOM620 CG ASP 2 322 12.373 60.438 34.778 1.00 0.00 ATOM621 OD1 ASP 2 322 11.158 60.374 34.676 1.00 0.00 ATOM622 OD2 ASP 2 322 13.048 60:950 33.889 1.00 0.00 ATOM623 H ASP 2 322 14.851 58.572 37.512 1.00 0.00 ATOM624 _ GLY 2 323 15.418 62.163 35.092 1.00 0.00 N
-ATOM625 CA GLY 2 323 15.722 63.593 35.089 1.00 0.00 ATOM626 C GLY 2 323 14.497 64.494 35.025 1.00 0.00 ATOM627 O GLY 2 323 14.512 65.655 35.437 1.00 0.00 ATOM628 H GLY 2 323 15.572 61.604 34.276 1.00 0.00 ATOM629 N VAL 2 324 13.407 63.895 34.527 1.00 0.00 ATOM630 CA VAL 2 324 12.107 64.571 34.547 1.00 0.00 ATOM631 C VAL 2 324 11.493 64.657 35.941 1.00 0.00 ATOM632 O VAL 2 324 10.646 65.505 36.240 1.00 0.00 ATOM633 CB VAL 2 324 11.111 63.874 33.598 1.00 0.00 ATOM634 CG1 VAL 2 324 9.86$ 64.729 33.325 1.00 0.00 ATOM635 CG2 VAL 2 324 11.761 63.444 32.286 1.00 0.00 ATOM636 H VAL 2 324 13.493 62.957 34.206 1.00 0.00 ATOM637 N ALA 2 325 11.923 63.697 36.776 1.00 0.00 ATOM638 CA ALA 2 325 11.170 63.458 37.999 1.00 0.00 ATOM639 C ALA 2 325 11.828 63.911 39.280 1.00 0.00 ATOM640 O ALA 2 325 11.234 64.669 40.034 1.00 0.00 ATOM641 CB ALA 2 325 10.794 61.981 38.130 1.00 0.00 ATOM642 H ALA 2 325 12.653 63.091 36.467 1.00 0.00 ATOM643 N ARG 2 326 13.069 63.419 39.528 1.00 0.00 ATOM644 CA ARG 2 326 13.628 63.717 40.860 1.00 0.00 ATOM645 C ARG 2 326 13.802 65.203 41.168 1.00 0.00 ATOM646 O ARG 2 326 13.385 65.721 42.197 1.00 0.00 ATOM647 CB ARG 2 326 14.915 62.934 41.164 1.00 0.00 ATOM648 CG ARG 2 326 14.752 61.413 41.324 1.00 0.00 ATOM649 CD ARG 2 326 16.026 60.739 41.865 1.00 0.00 ATOM650 NE ARG 2 326 15.909 59.280 41.926 1.00 0.00 ATOM651 CZ ARG 2 326 16.934 58.452 41.611 1.00 0.00 ATOM652 NHl ARG 2 326 16.740 57.145 41.593 1.00 0.00 ATOM653 NH2 ARG 2 326 18.129 58.926 41.279 1.00 0.00 ATOM654 H ARG 2 326 13.600 62.961 38.812 1.00 0.00 ATOM655 HE ARG 2 326 15.063 58.850 42.268 1.00 0.00 ATOM656 1HH1 ARG 2 326 17.455 56.515 41.252 1.00 0.00 ATOM657 2HH1 ARG ~ 326 15.860 56.766 41.895 1.00 0.00 ATOM558 1HH2 ARG 2 326 18.838 58.286 40.944 1.00 0.00 ATOM659 2HH2 ARG 2 326 18.345 59.898 41.371 1.00 0.00 ATOM660 N VAL 2 327 14.348 65.905 40.176 1.00 0.00 ATOM661 CA VAL 2 327 14.456 67.354 40.341 1.00 0.00 ATOM662 C VAL 2 327 13.112 68.081 40.447 1.00 0.00 ATOM663 O VAL 2 327 12.989 69.177 40.993 1.00 0.00 ATOM664 CB VAL 2 327 15.329 67.926 39.218 1.00 0.00 ATOM665 CGl VAL 2 327 15.635 69.402 39.452 1.00 0.00 ATOM666 CG2 VAL 2 327 16.624 67.125 39.067 1.00 0.00 ATOM667 H VAL 2 327 14.696 65.420 39.377 1.00 0.00 ATOM668 N ARG 2 328 12.101 67.422 39.878 1.00 0.00 ATOM669 CA ARG 2 328 10.750 67.952 40.004 1.00 0.00 ATOM670 C ARG 2 328 10.004 67.434 41.228 1.00 0.00 ATOM671 O ARG 2 328 8.860 67.802 41.500 1.00 0.00 ATOM672 CB ARG 2 328 9.986 67.679 38.711 1.00 0.00 ATOM673 CG ARG 2 328 8.828 68.650 38.518 1.00 0.00 ATOM674 CD ARG 2 328 7.971 68.337 37.301 1.00 0.00 ATOM675 NE ARG 2 328 6.869 69.292 37.251 1.00 0.00 ATOM676 CZ ARG 2 328 5.584 68.889 37.148 1.00 0.00 ATOM677 NH1 ARG 2 328 4.610 69.793 37.117 1.00 0.00 ATOM678 NH2 ARG 2 328 5.293 67.593 37.060 1.00 0.00 ATOM679 H ARG 2 328 12.230 66.487 39.553 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM680 HE ARG 2 328 7.127 70.260 37.344 1.00 0.00 ATOM681 1HH1 ARG 2 328 3.658 69.531 36.952 1.00 0.00 ATOM682 2HH1 ARG 2 328 4.818 70.760 37.255 1.00 0.00 ATOM683 1HH2 ARG 2 328 4.355 67.290 3.6.8901.00 0.00 ATOM684 2HH2 ARG 2 328 6.015 66.903 37.159 1.00 0.00 ATOM685 N LYS 2 329 10.712 66.552 41.965 1.00 0.00 ATOM686 _ LYS 2 329 10.343 66.306 43.355 1.00 0.00 CA
' ATOM687 C LYS 2 329 10.767 37.505 44.185 1.00 0.00 ATOM688 O LYS 2 329 9.981 68.069 44.938 1.00 0.00 ATOM689 CB LYS 2 329 11.017 65.065 43.985 1.00 0.00 ATOM690 CG LYS 2 329 10.812 63.643 43.435 1.00 0.00 ATOM691 CD LYS 2 329 11.696 62.629 44.199 1.00 0.00 ATOM692 CE LYS 2 329 11.544 61.156 43.774 1.00 0.00 ATOM693 NZ LYS 2 329 12.435 60.265 44.536 1.00 0.00 ATOM694 H LYS 2 329 11.569 66.208 41.592 1.00 0.00 ATOM695 1HZ LYS 2 329 12.209 59.272 44.318 1.00 0.00 ATOM696 2HZ LYS 2 329 13.429 60.336 44.257 1.00 0.00 ATOM697 3HZ LYS 2 329 12.334 60.419 45.557 1.00 0.00 ATOM698 N SER 2 330 12.051 67.878 44.067 1.00 0.00 ATOM699 CA SER 2 330 12.451 68.765 45.158 1.00 0.00 ATOM700 C SER 2 330 13.141 70.058 44.802 1.00 0.00 ATOM701 O SER 2 330 14.362 70.108 44.769 1.00 0.00 ATOM702 CB SER 2 330 13.271 67.991 46.194 1.00 0.00 ATOM703 OG SER 2 330 13.142 66.579 45.934 1.00 0.00 ATOM704 H SER 2 330 12.684 67.428 43.436 1.00 0.00 ATOM705 HG SER 2 330 13.928 66.282 45.459 1.00 0.00 ATOM706 N LYS 2 331 12.312 71.100 44.585 1.00 0.00 ATOM707 CA LYS 2 331 12.703 72.510 44.794 1.00 0.00 ATOM708 C LYS 2 331 14.192 72.881 44.929 1.00 0.00 ATOM709 O LYS 2 331 14.751 72.833 46.024 1.00 0.00 ATOM710 CB LYS 2 331 11.923 72.991 46025 1.00 0.00 ATOM711 CG LYS 2 331 12.034 74.464 46.428 1.00 0.00 ATOM712 CD LYS 2 331 11.485 74.648 47.844 1.00 0.00 ATOM713 CE LYS 2 331 11.626 76.066 48.398 1.00 0.00 ATOM714 NZ LYS 2 331 11.188 76.064 49.796 1.00 0.00 ATOM715 H LYS 2 331 11.353 70.845 44.465 1.00 0.00 ATOM716 1HZ LYS 2 331 11.139 77.040 50.148 1.00 0.00 ATOM717 2HZ LYS 2 331 10.253 75.620 49.844 1.00 0.00 ATOM718 3H2 LYS 2 331 11.842 75.508 50.381 1.00 0.00 ATOM719 N GLY 2 332 14.772 73.300 43.789 1.00 0.00 ATOM720 CA GLY 2 332 16.201 73.616 43.818 1.00 0.00 ATOM721 C GLY 2 332 16.985 72.335 43.981 1.00 0.00 ATOM722 O GLY 2 332 16.695 71.359 43.298 1.00 0.00 ATOM723 H GLY 2 332 14.255 73.297 42.941 1.00 0.00 ATOM724 N LYS 2 333 17.895 72.394 44.958 1.00 0.00 ATOM725 CA LYS 2 333 18.462 71.249 45.682 1.00 0.00 ATOM726 C LYS 2 333 18.814 69.945 44.980 1.00 0.00 ATOM727 O LYS 2 333 19.990 69.587 44.893 1.00 0.00 ATOM728 CB LYS 2 333 17.621 70.975 46.927 1.00 0.00 ATOM729 CG LYS 2 333 17.973 71.948 48.048 1.00 0.00 ATOM730 CD LYS 2 333 17.065 71.797 49.266 1.00 0.00 ATOM731 CE LYS 2 333 17.724 72.333 50.538 1.00 0.00 ATOM732 NZ LYS 2 333 18.867 71.482 50.880 1.00 0.00 ATOM733 H LYS 2 333 18.084 73.325 45.252 1.00 0.00 ATOM734 1HZ LYS 2 333 18.540 70.547 51.202 1.00 0.00 ATOM735 2HZ LYS 2 333 19.458 71.265 50.054 1.00 0.00 ATOM736 3HZ LYS 2 333 19.481 71.920 51.597 1.00 0.00 ATOM737 N PHE 2 334 17.750 69.248 44.552 1.00 0.00 ATOM738 CA PHE 2 334 17.900 67.995 43.812 1.00 0.00 ATOM739 C PHE 2 334 18.564 68.234 42.483 1.00 0.00 ATOM740 O PHE 2 334 18.353 69.292 41.866 1.00 0.00 ATOM741 CB PHE 2 334 16.535 67.332 43.611 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM 742 CG PHE 2 334 16.312 66.216 44.607 1.00 0.00 ATOM 743 CDl PHE 2 334 15.964 64.939 44.117 1,00 0.00 ATOM 744 CD2 PHE 2 334 16.437 66..45245.995 1.00 0.00 ATOM 745 CEl PHE 2 334 15.735 63.884 45.021 1.00 0.00 ATOM 746 CE2 PHE 2 334 16.210 65.399 46.902 1.00 0.00 ATOM 747 CZ PHE 2 334 15.860 64.126 46.405 1.00 0.00 _ ATOM 748 H PHE 2 334 16.899 69.767 44.511 1.00 0.00 -ATOM 749 N ALA 2 335 19.402 67.242 42.152 1.00 0.00 ATOM 750 CA ALA 2 335 20.390 67.332 41.093 1.00 0.00 ATOM 751 C ALA 2 335 21.011 65.997 40.738 1.00 0.00 ATOM 752 O ALA 2 335 21.601 65.329 41.591 1.00 0.00 ATOM 753 CB ALA 2 335 21.527 68.271 41.499 1.00 0.00 ATOM 754 H ALA 2 335 19.355 66.401 42.678 1.00 0.00 ATOM 755 N PHE 2 336 20.927 65.679 39.434 1.00 0.00 ATOM 756 CA PHE 2 336 21.722 64.597 38.836 1.00 0.00 ATOM 757 C PHE 2 336 23.025 65.064 38.209 1.00 0.00 ATOM 758 O PHE 2 336 23.268 66.259 38.030 1.00 0.00 ATOM 759 CB PHE 2 336 20.982 63.866 37.717 1.00 0.00 ATOM 760 CG PHE 2 336 19.753 63.135 38.180 1.00 0.00 ATOM 761 CDl PHE 2 336 19.877 61.800 38.617 1.00 0.00 ATOM 762 CD2 PHE 2 336 18.503 63.786 38.127 1.00 0.00 ATOM 763 CEl PHE 2 336 18.718 61.086 38.966 1.00 0.00 ATOM 764 CE2 PHE 2 336 17.344 63.071 38.477 1.00 0.00 ATOM 765 CZ PHE 2 336 17.464 61.723 38.871 1.00 0.00 ATOM 766 H PHE 2 336 20.301 66.263 38.925 1.00 0.00 ATOM 767 N LEU 2 337 23.842 64.040 37.890 1.00 0.00 ATOM 768 CA LEU 2 337 25.119 64.104 37.169 1.00 0.00 ATOM 769 C LEU 2 337 25.181 62.931 36.186 1.00 0.00 ATOM 770 O LEU 2 337 25.301 61.768 36.555 1.00 0.00 ATOM ?71 CB LEU 2 337 26.312 63.953 38.128 1.00 0.00 ATOM 772 CG LEU 2 337 26.806 65.117 39.004 1.00 0.00 ATOM 773 CD1 LEU 2 337 25.811 65.638 40.042 1.00 0.00 .

ATOM 774 CD2 LEU 2 337 28.105 64.714 39.704 1.00 0.00 ATOM 775 H LEU 2 337 23.545 63,.17038.276 1.00 0.00 ATOM 776 N LEU 2 338 25.027 63.224 34.899 1.00 0.00 ATOM 777 CA LEU 2 338 25.401 62.152 33.963 1.00 0.00 ATOM 778 C LEU 2 338 26.498 62.704 33.099 1.00 0.00 ATOM 779 O LEU 2 338 26.552 63.923 32.925 1.00 0.00 ATOM 780 CB LEU 2 338 24.239 61.707 33.070 1.00 0.00 ATOM 781 CG LEU 2 338 23.366 60.571 33.615 1.00 0.00 ATOM 782 CD1 LEU 2 338 22.558 60.950 34.858 1.00 0.00 ATOM 783 CD2 LEU 2 338 22.472 59.996 32.516 1.00 0.00 ATOM 784 H LEU 2 338 24.935 64.182 34.618 1.00 0.00 ATOM 785 N GLU 2 339 27.366 61.830 32.569 1.00 0.00 ATOM 786 CA GLU 2 339 28.278 62.294 31.518 1.00 0.00 ATOM 787 C GLU 2 339 27.458 62.657 30.276 1.00 0.00 ATOM 788 O GLU 2 339 26.311 62.219 30.166 1.00 0.00 ATOM 789 CB GLU 2 339 29.402 61.258 31.257 1.00 0.00 ATOM 790 CG GLU 2 339 30.178 60.783 32.513 1.00 0.00 ATOM 791 CD GLU 2 339 31.545 60.163 32.185 1.00 0.00 ATOM 792 OE1 GLU 2 339 32.289 60.724 31.416 1.00 0.00 ATOM 793 OE2 GLU 2 339 31.930 59.125 32.701 1.00 0.00 ATOM 794 H GLU 2 339 27.151 60.892 32.812 1.00 0.00 ATOM 795 N SER 2 340 28.030 63.522 29.420 1.00 0.00 ATOM 796 CA SER 2 340 27.339 63.926 28.189 1.00 0.00 ATOM 797 C SER 2 340 25.852 64.282 28.219 1.00 0.00 ATOM 798 O SER 2 340 25.486 65.455 28.329 1.00 0.00 ATOM 799 CB SER 2 340 27.659 62.967 27.042 1.00 0.00 ATOM 800 OG SER 2 340 28.962 63.233 26.501 1.00 0.00 ATOM 801 H SER 2 340 29.007 63.684 29.505 1.00 0.00 ATOM 802 HG SER 2 340 28.843 63.160 25.556 1.00 0.00 ATOM 803 N THR 2 341 24.978 63.278 28.100 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM804 CA THR 2 341 23.580 63.565 27.771 1.00 0.00 ATOM805 C THR 2 341 22.650 64.065 28.864 1.00 0.00 ATOM806 O THR 2 341 21.419 64-.07928.756 1.00 0.00 ATOM807 CB THR 2 341 22.953 62.395 27.031 1.00 0.00 ATOM808 OG1 THR 2 341 23.884 61.306 26.887 1.00 0.00 ATOM809 CG2 THR 2 341 22.509 62.846 25.646 1.00 0.00 ATOM810 H THR 2 341 25.336 62.364 28.282 1.00 0.00 ATOM811 HG1 THR 2 341 24.036 60.974 27.775 1.00 0.00 ATOM812 N MET 2 342 23.274 64.520 29.960 1.00 0.00 ATOM813 CA MET 2 342 22.406 65.251 30.875 1.00 0.00 ATOM814 C MET 2 342 21.980 66.642 30.420 1.00 0.00 ATOM83.5 O MET 2 342 21.124 67.284 31.026 1.00 0.00 ATOM816 CB MET 2 342 22.933 65.196 32.306 1.00 0.00 ATOM817 CG MET 2 342 21.811 64.790 33.265 1.00 0.00 ATOM818 SD MET 2 342 20.958 63.292 32.731 1.00 0.00 ATOM819 CE MET 2 342 19.742 63.174 34.055 1.00 0.00 ATOM820 H MET 2 342 24.261 64.430 30.080 1.00 0.00 ATOM821 N ASN 2 343 22.569 67.039 29.282 1.00 0.00 ATOM822 CA ASN 2 343 21.862 68.029 28.480 1.00 0.00 ATOM823 C ASN 2 343 20.884 67.327 27.541 1.00 0.00 ATOM824 O ASN 2 343 20.080 66.546 28.036 1.00 0.00 ATOM825 CB ASN 2 343 22.825 69.03D 27.827 1.00 0.00 ATOM826 CG ASN 2 343 22.153 70.390 27.873 1.00 0.00 ATOM827 OD1 ASN 2 343 21.564 70.775 28.884 1.00 0.00 ATOM828 ND2 ASN 2 343 22.203 71.084 26.737 1.00 0.00 ATOM829 H ASN 2 343 23.290 66.490 28.864 1.00 0.00 ATOM830 1HD2 ASN 2 343 21.683 71.942 26.664 1.00 0.00 ATOM831 2HD2 ASN 2 343 22.700 70.797 25.919 1.00 0.00 ATOM832 N GLU 2 344 20.941 67.568 26.217 1.00 0.00 ATOM833 CA GLU 2 344 19.975 67.015 25.246 1.00 0.00 ATOM834 C GLU 2 344 19.042 65.847 25.587 1.00 0.00 ATOM835 O GLU 2 344 17.832 65.975 25.446 1.00 0.00 ATOM836 CB GLU 2 344 20.617 66.803 23.865 1.00 0.00 ATOM837 CG GLU 2 344 21.841 65.879 23.801 1.00 0.00 ATOM838 CD GLU 2 344 23.004 66.527 24.520 1.00 0.00 ATOM839 OE1 GLU 2 344 23.478 67.545 24.056 1.00 0.00 ATOM840 OE2 GLU 2 344 23.418 66.052 25.566 1.00 0.00 ATOM841 H GLU 2 344 21.628 68.212 25.889 1.00 0.00 ATOM842 N TYR 2 345 19.571 64.706 26.069 1.00 0.00 ATOM843 CA TYR 2 345 18.632 63.630 26.446 1.00 0.00 ATOM844 C TYR 2 345 17.593 64.068 27.467 1.00 0.00 ATOM845 O TYR 2 345 16.387 63.823 27.367 1.00 0.00 ATOM846 CB TYR 2 345 19.384 62.416 26.999 1.00 0.00 ATOM847 CG TYR 2 345 18.598 61.124 27.010 1.00 0.00 ATOM848 CD1 TYR 2 345 18.522 60.362 25.827 1.00 0.00 ATOM849 CD2 TYR 2 345 18.005 60.691 28.213 1.00 0.00 ATOM850 CE1 TYR 2 345 17.880 59.113 25.858 1.00 0.00 ATOM851 CE2 TYR 2 345 17.363 59.441 28.245 1..00 0.00 ATOM852 CZ TYR 2 345 17.321 58.661 27.070 1.00 0.00 ATOM853 OH TYR 2 345 16.707 57.420 27.102 1.00 0.00 ATOM854 H TYR 2 345 20.567 64.640 26.158 1.00 0.00 ATOM855 HH TYR 2 345 16.373 57.294 27.989 1.00 0.00 ATOM856 N ILE 2 346 18.121 64.744 28.490 1.00 0.00 ATOM857 CA ILE 2 346 17.211 65.223 29.511 1.00 0.00 ATOM858 C ILE 2 346 16.862 66.706 29.461 1.00 0.00 ATOM859 O ILE 2 346 15.992 67.162 30.192 1.00 0.00 ATOM860 CB ILE 2 346 17.673 64.734 30.894 1.00 0.00 ATOM861 CG1 ILE 2 346 16.479 64.184 31.666 1.00 0.00 ATOM862 CG2 ILE 2 346 18.400 65.815 31.705 1.00 0.00 ATOM863 CD1 ILE 2 346 15.935 62.881 31.075 1.00 0.00 ATOM864 H ILE 2 346 19.079 65.030 28.433 1.00 0.00 ATOM865 N GLU 2 347 17.533 67.453 28.569 1.00 0.00 SUBSTITUTE SHEET (RULE 25) ATOM 866 CA GLU 2 347 17.327 68.904 28.569 1.00 0.00 ATOM 867 C GLU 2 347 15.880 69.283 28.342 1.00 0.00 ATOM 868 O GLU 2 347 15.197 69..82329.214 1.00 0.00 ATOM 869 CB GLU 2 347 18.234 69.594 27.548 1.00 0.00 ATOM 870 CG GLU 2 347 18.669 71.023 27.899 1.00 0.00 ATOM 871 CD GLU 2 347 17.505 71.971 28.073 1.00 0.00 ATOM 872 OE1' GLU 2 347 17.453 72.655 29.092 1.00 0.00 ATOM 873 OE2 GLU 2 347 16.649 72.023 27.199 1.00 0.00 ATOM 874 H GLU 2 347 18.200 67.041 27.947 1.00 0.00 ATOM 875 N GLN 2 348 15.418 68.873 27.158 1.00 0.00 ATOM 876 CA GLN 2 348 14.009 69.098 26.860 1.00 0.00 ATOM 877 C GLN 2 348 13.065 68.164 27.610 1.00 0.00 ATOM 878 0 GLN 2 348 11.843 68.218 27.502 1.00 0.00 ATOM 879 CB GLN 2 348 13.722 69.089 25.352 1.00 0.00 ATOM 880 CG GLN 2 348 14.756 69.780 24.449 1.00 0.00 ATOM 881 CD GLN 2 348 15.961 68.878 24.259 1.00 0.00 ATOM 882 OEl GLN 2 348 15.855 67.653 24.171 1.00 0.00 ATOM 883 NE2 GLN 2 348 17.138 69.516 24.252 1.00 0.00 ATOM 884 H GLN 2 348 16.055 68.388 26.562 1.00 0.00 ATOM 885 1HE2 GLN 2 348 18.030 69.059 24.214 1.00 0.00 ATOM 886 2HE2 GLN 2 348 17.173 70.516 24.306 1.00 0.00 ATOM 887 N ARG 2 349 13.662 67.247 28.420 1.00 0.00 ATOM 888 CA ARG 2 349 12.831 66.560 29.378 1.00 0.00 ATOM 889 C ARG 2 349 12.741 67.247 30.742 1.00 0.00 ATOM 890 O ARG 2 349 12.228 66.711 31.724 1.00 0.00 ATOM 891 CB ARG 2 349 13.275 65.100 29.447 1.00 0.00 ATOM 892 CG ARG 2 349 12.424 64.145 28.592 1.00 0.00 ATOM 893 CD ARG 2 349 12.406 64.423 27.084 1.00 0.00 ATOM 894 NE ARG 2 349 13.753 64.342 26.525 1.00 0.00 ATOM 895 CZ ARG 2 349 14.129 65.091 25.463 1.00 0.00 ATOM 896 NH1 ARG 2 349 15.391 65.051 25.084 1.00 0.00 ATOM 897 NH2 ARG 2 349 13.271 65.872 24.813 1.00 0.00 ATOM 898 H ARG 2 349 14.655 67.328 28.536 1.00 0.00 ATOM 899 HE ARG 2 349 14.424 63.690 26.892 1.00 0.00 ATOM 900 1HH1 ARG 2 349 16.004 64.384 25.521 1.00 0.00 ATOM 901 2F~FI1ARG 2 349 15.784 65.683 24.409 1.00 0.00 ATOM 902 1HH2 ARG 2 349 13.552 66.405 24.008 1.00 0.00 ATOM 903 2HH2 ARG 2 349 12.322 65.925 25.119 1.00 0.00 ATOM 904 N LYS 2 35D 13.188 68.512 30.699 1.00 0.00 ATOM 905 CA LYS 2 350 12.946 69.560 31.694 1.00 0.00 ATOM 906 C LYS 2 350 13.360 70.929 31.136 1.00 0.00 ATOM 907 O LYS 2 350 14.234 71.590 31.693 1.00 0.00 ATOM 908 CB LYS 2 350 13.715 69.239 32.997 1.00 0.00 ATOM 909 CG LYS 2 350 15.182 68.796 32.818 1.00 0.00 ATOM 910 CD LYS 2 350 16.245 69.824 33.229 1.00 0.00 ATOM 911 CE LY5 2 350 17.263 70.169 32.131 1.00 0.00 ATOM 912 NZ LYS 2 350 16.661 71.009 31.083 1.00 0.00 ATOM 913 H LYS 2 350 13.742 68.777 29.912 1.00 0.00 ATOM 914 1HZ LYS 2 350 17.343 71.465 30.438 1.00 0.00 ATOM 915 2HZ LYS 2 350 16.027 70.467 30.473 1.00 0.00 ATOM 916 3HZ LYS 2 350 16.076 71.758 31.504 1.00 0.00 ATOM 917 N PRO 2 351 12.765 71.335 29.980 1.00 0.00 ATOM 918 CA PRO 2 351 13.463 72.323 29.132 1.00 0.00 ATOM 919 C PRO 2 351 13.709 73.643 29.835 1.00 0.00 ATOM 920 O PRO 2 351 12.762 74.309 30.235 1.00 0.00 ATOM 921 CB PRO 2 351 12.546 72.421 27.907 1.00 0.00 ATOM 922 CG PRO 2 351 11.164 71.968 28.381 1.00 0.00 ATOM 923 CD PRO 2 351 11.487 70.905 29.422 1.00 0.00 ATOM 924 N CYS 2 352 15.010 73.934 30.032 1.00 0.00 ATOM 925 CA CYS 2 352 15.599 74.983 30.886 1.00 0.00 ATOM 926 C CYS 2 352 16.913 74.475 31.430 1.00 0.00 ATOM 927 O CYS 2 352 16.948 73.438 32.106 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 928 CB CYS 2 352 14.744 75.453 32.082 1.00 0.00 ATOM 929 SG CYS 2 352 14.221 74.137 33.230 1.00 0.00 ATOM 930 H CYS 2 352 15.619 73.353 29.477 1.00 0.00 ATOM 931 N ASP 2 353 17.949 75.224 31.058 1.00 0.00 ATOM 932 CA ASP 2 353 19.333 74.834 31.282 1.00 0.00 ATOM 933 C ASP 2 353 19.736 74.659 32.730 1.00 0.00 ATOM 934 O ASP 2 353 19.058 75.057 33.684 1.00 0.00 .-ATOM 935 CB ASP 2 353 20.292 75.778 30.537 1.00 0.00 ATOM 936 CG ASP 2 353 20.220 77.195 31.080 1.00 0.00 ATOM 937 OD1 ASP 2 353 20.906 77.501 32.049 1.00 0.00 ATOM 938 OD2 ASP 2 353 19.480 78.003 30.534 1.00 0.00 ATOM 939 H ASP 2 353 17.811 76.119 30.637 1.00 0.00 ATOM 940 N THR 2 354 20.800 73.967 32.817 1.00 0.00 ATOM 941 CA THR 2 354 21.189 73.282 34.069 1.00 0.00 ATOM 942 C THR 2 354 22.645 72.859 34.236 1.00 0.00 ATOM 943 O THR 2 354 23.006 71.851 34.855 1.00 0.00 ATOM 944 CB THR 2 354 20.230 72.103 34.180 1.00 0.00 ATOM 945 OGl THR 2 354 20.207 71.591 35.510 1.00 0.00 ATOM 946 CG2 THR 2 354 20.523 71.010 33.144 1.00 0.00 ATOM 947 H THR 2 354 21.284 73.685 31.944 1.00 0.00 ATOM 948 HG1 THR 2 354 20.418 72.354 36.052 1.00 0.00 ATOM 949 N MET 2 355 23.491 73.675 33.592 1.00 0.00 ATOM 950 CA MET 2 355 24.881 73.303 33.819 1.00 0.00 ATOM 951 C MET 2 355 25.407 74.086 34.998 1.00 0.00 ATOM 952 O MET 2 355 24.958 75.204 35.264 1.00 0.00 ATOM 953 CB MET 2 355 25.714 73.520 32.553 1.00 0.00 ATOM 954 CG MET 2 355 26.975 72.651 32.519 1.00 0.00 ATOM 955 SD MET 2 355 27.945 72.883 31.023 1.00 0.00 ATOM 956 CE MET 2 355 29.154 71.577 31.307 1.00 0.00 ATOM 957 H MET 2 355 23.207 74.584 33.288 1.00 0.00 ATOM 958 N LYS 2 356 26.374 73.491 35.688 1.00 0.00 ATOM 959 CA LYS ,2 356 27.020 74.312 36.693 1.00 0.00 ATOM 960 C LYS 2 356 28.517 74.153 36.649 1.00 0.00 ATOM 961 O LYS 2 356 29.118 73;483 37.492 1.00 0.00 ATOM 962 CB LYS 2 356 26.408 74.019 38.058 1.00 0.00 ATOM 963 CG LYS 2 356 26.879 75.024 39.094 1.00 0.00 ATOM 964 CD LYS 2 356 26.664 76.484 38.707 1.00 0.00 ATOM 965 CE LYS 2 356 27.129 77.395 39.837 1.00 0.00 ATOM 966 NZ LYS 2 356 26.237 77.232 40.980 1.00 0.00 ATOM 967 H LYS 2 356 26.659 72.578 35.404 1.00 0.00 ATOM 968 1HZ LYS 2 356 25.306 77.669 40.853 1.00 0.00 ATOM 969 2HZ LYS 2 356 26.029 76.234 41.150 1.00 0.00 ATOM 970 3HZ LYS 2 356 26.627 77.631 41.845 1.00 0.00 ATOM 971 N VAL 2 357 29.079 74.753 35.579 1.00 0.00 ATOM 972 CA VAL 2 357 30.483 74.591 35.174 1.00 0.00 ATOM 973 C VAL 2 357 30.833.73.208 34.631 1.00 0.00 ATOM 974 O VAL 2 357 31.347 73.049 33.521 1.00 0.00 ATOM 975 CB VAL 2 357 31.465 75.058 36.271 1.00 0.00 ATOM 976 CG1 VAL 2 357 32.932 74.942 35.841 1.00 0.00 ATOM 977 CG2 VAL 2 357 31.139 76.489 36.712 1.00 0.00 ATOM 978 H VAL 2 357 28.513 75.428 35.114 1.00 0.00 ATOM 979 N GLY 2 358 30.501 72.187 35.435 1.00 0.00 ATOM 980 CA GLY 2 358 30.882 70.821 35.090 1.00 0.00 ATOM 981 C GLY 2 358 31.940 70.290 36.040 1.00 0.00 ATOM 982 O GLY 2 358 32.103 70.804 37.150 1.06 0.00 ATOM 983 H GLY 2 358 30.076 72.384 36.317 1.00 0.00 ATOM 984 N GLY 2 359 32.632 69.250 35.523 1.00 0.00 ATOM 985 CA GLY 2 359 33.779 68.606 36.170 1.00 0.00 ATOM 986 C GLY 2 359 34.259 67.462 35.280 1.00 0.00 ATOM 987 O GLY 2 359 33.790 67.312 34.152 1.00 0.00 ATOM 988 H GLY 2 359 32.497 68.953 34.576 1.00 0.00 ATOM 989 N ASN 2 360 35.186 66.635 35.793 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM990 CA ASN 2 360 35.576 65.428 35.043 1.00 0.00 ATOM991 C ASN 2 360 35.039 64.158 35.689 1.00 0.00 ATOM992 0 ASN 2 360 34.506 64.230 36.810 1.00 0.00 ATOM993 CB ASN 2 360 37.103 65.347 3.4.8591.00 0.00 ATOM994 CG ASN 2 360 37.802 64.88-936.131 1.00 0.00 ATOM995 ODD.ASN 2 360 37.407 65.197 37.257 1.00 0.00 ATOM996 ND2-ASN 2 360 38.859 64.105 35.925 1.00 0.00 ATOM997 H ASN 2 360 35.481 66.767 36.738 1.00 0.00 ATOM998 1HD2ASN 2 360 39.386 63.691 36.664 1.00 0.00 ATOM999 2HD2ASN 2 360 39.142 63.902 34.987 1.00 0.00 ATOM1000 N LEU 2 361 35.237 63.018 34.967 1.00 0.00 ATOM1001 CA LEU 2 361 34.876 61.684 35.470 1.00 0.00 ATOM1002 C LEU 2 361 35.619 60.507 34.808 1.00 0.00 ATOM1003 O LEU 2 361 36.085 60.551 33.667 1.00 0.00 ATOM1004 CB LEU 2 361 33.361 61.455 35.376 1.00 0.00 ATOM1005 CG LEU 2 361 32.781 60.670 36.558 1.00 0.00 ATOM1006 CD1 LEU 2 361 32.729 61.510 37.835 1.00 0.00 ATOM1007 CD2 LEU 2 361 31.426 60.047 36.231 1.00 0.00 ATOM1008 H LEU 2 361 35.529 63.093 34.018 1.00 0.00 ATOM1009 N ASP 2 362 35.672 59.417 35.601 1.00 0.00 ATOM1010 CA ASP 2 362 36.262 58.113 35.261 1.00 0.00 ATOM1011 C ASP 2 362 36.069 57.507 33.875 1.00 0.00 ATOM1012 O ASP 2 362 36.978 56.859 33.336 1.00 0.00 ATOM1013 CB ASP 2 362 35.891 57.076 36.345 1.00 0.00 ATOM1014 CG ASP 2 362 34.418 56.659 36.328 1.00 0.00 ATOM1015 ODl ASP 2 362 33.562 57.453 35.953 1.00 0.00 ATOM1016 OD2 ASP 2 362 34.118 55.522 36.691 1.00 0.00 ATOM1017 H ASP 2 362 35.335 59.533 36.532 1.00 0.00 ATOM1018 N SER 2 363 34.856 57.716 33.320 1.00 0.00 ATOM1019 CA SER 2 363 34.778 57.097 32.003 1.00 0.00 ATOM1020 C SER 2 363 35.187 57.936 30.813 1.00 0.00 ATOM1021 O SER 2 363 36.340 57.849 30.390 1.00 0.00 ATOM1022 CB SER 2 363 33.498 56.273 31.794 1.00 0.00 ATOM1023 OG SER 2 363 33.321 55.404 32.927 1.00 0.00 ATOM1024 H SER 2 363 34.133 58.210 33.808 1.00 0.00 ATOM1025 HG SER 2 363 34.237 55.254 33.212 1.00 0.00 ATOM1026 N LYS 2 364 34.221 58.658 30.234 1.00 0.00 ATOM1027 CA LYS 2 364 34.404 58.693 28.792 1.00 0.00 ATOM1028 C LYS 2 364 35.164 59.874 28.230 1.00 0.00 ATOM1029 O LYS 2 364 34.775 61.043 28.377 1.00 0.00 ATOM1030 CB LYS 2 364 33.070 58.355 28.113 1.00 0.00 ATOM1031 CG LYS 2 364 31.900 59.315 28.330 1.00 0.00 ATOM1032 CD LYS 2 364 31.869 60.453 27.312 1.00 0.00 ATOM1033 CE LYS 2 364 31.363 61.747 27.933 1.00 0.00 ATOM1034 NZ LYS 2 364 32.281 62.149 28.999 1.00 0.00 ATOM1035 H LYS 2 364 33.369 58.912 30.688 1.00 0.00 ATOM1036 1HZ LYS 2 364 33.270 62.072 28.707 1.00 0.00 ATOM1037 2HZ LYS 2 364 32.091 63.124 29.268 1.00 0.00 ATOM1038 3HZ LYS 2 364 32.164 61.551 29.833 1.00 0.00 ATOM1039 N GLY 2 365 36.255 59.474 27.580 1.00 0.00 ATOM1040 CA GLY 2 365 37.192 60.395 26.954 1.00 0.00 ATOM1041 C GLY 2 365 38.170 59.630 26.080 1.00 0.00 ATOM1042 O GLY 2 365 38.644 60.086 25.038 1.00 0.00 ATOM1043 H GLY 2 365 36.349 58.486 27.486 1.00 0.00 ATOM1044 N TYR 2 366 38.468 58.411 26.552 1.00 0.00 ATOM1045 CA TYR 2 366 38.976 57.459 25.568 1.00 0.00 ATOM1046 C TYR 2 366 37.746 56.966 24.795 1.00 0.00 ATOM1047 O TYR 2 366 36.614 57.179 25.246 1.00 0.00 ATOM1048 CB TYR 2 366 39.816 56.369 26.273 1.00 0.00 ATOM1049 CG TYR 2 366 41.059 56.889 27.010 1.00 0.00 ATOM1050 CD1 TYR 2 366 41.573 58.189 26.,7931.00 0.00 ATOM1051 CD2 TYR 2 366 41.706 56.015 27.913 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1052 CEl TYR 2 366 42.754 58.596 27.445 1.00 0.00 ATOM 1053 CE2 TYR 2 366 42.890 56.415 28.565 1.00 0.00 ATOM 1054 CZ TYR 2 366 43.418 57.700 28.312 1.00 0.00 1055 OH TYR 2 366 44.608 58.103 28.907 1.00 0.00 ATOM TYR 2 366 38.101 58.130 27.436 1.00 0.00 ATOM 1056 H 2 366 136 300 29.048 1.00 0.00 ATOM 1057 HH TYR . .
.

ATOM 1058 ' GLY 2 367 37.953 56.420 23.601 1.00 0.00 N

ATOM 1059 CA GLY 2 367 36.799 56.335 22.699 1.00 0.00 ATOM 1060 C GLY 2 367 36.986 55.338 21.585 1.00 0.00 1061 O GLY 2 367 36.066 54.684 21.071 1.00 0.00 ATOM GLY 2 367 871 56.134 23.345 1.00 0.00 ATOM 1062 H 2 368 . 233 21.223 1.00 0.00 ATOM 1063 N VAL . .

ATOM 1064 CA VAL 2 368 38.628 53.981 20.573 1.00 0.00 ATOM 1065 C VAL 2 368 39.403 53.086 21.533 1.00 0.00 ATOM 1066 O VAL 2 368 40.067 53.580 22.453 1.00 0.00 ATOM 1067 CB VAL 2 368 39.370 54.252 19.257 1.00 0.00 ATOM 1068 CG1 VAL 2 368 39.422 53.013 18.359 1.00 0.00 1069 CG2 VAL 2 368 38.720 55.418 18.506 1.00 0.00 ATOM VAL 2 368 954 55.879 21.570 1.00 0.00 ATOM 1070 H .

ATOM 1071 N ALA 2 369 38.292 51.757 21.301 1.00 0.00 ATOM 1072 CA ALA 2 369 40.103 50.755 21.991 1.00 0.00 ATOM 1073 C ALA 2 369 40.986 50.017 21.008 1.00 0.00 ATOM 1074 O ALA 2 369 40.746 50.087 19.796 1.00 0.00 ATOM 1075 CB ALA 2 369 39.210 49.721 22.673 1.00 0.00 ATOM 1076 H ALA 2 369 38.622 51.435 20.636 1.00 0.00 ATOM 1077 N THR 2 370 41.995 49.356 21.580 1.00 0.00 ATOM 1078 CA THR 2 370 42.946 48.522 20.851 1.00 0.00 ATOM 1079 C THR 2 370 43.819 47.618 21.751 1.00 0.00 ATOM 1080 O THR 2 370 45.033 47.567 21.570 1.00 0.00 ATOM 1081 CB THR 2 370 43.793 49.468 19.964 1.00 0.00 ATOM 1082 OG1 THR 2 370 44.807 48.770 19.218 1.00 0.00 ATOM 1083 CG2 THR 2 370 44.407 50.614 20.777 1.00 0.00 ATOM 1084 H THR 2 370 42.019 49.382 22.576 1.00 0.00 ATOM 1085 HG1 THR 2 370 45.365 483461 19.944 1.00 0.00 ATOM 1086 N PRO 2 371 43.216 46.903 22.745 1.00 0.00 ATOM 1087 CA PRO 2 371 44.010 46.190 23.735 1.00 0.00 ATOM 1088 C PRO 2 371 45.129 45.274 23.215 1.00 0.00 ATOM 1089 O PRO 2 371 44.890 44.314 22.467 1.00 0.00 ATOM 1090 CB PRO 2 371 43.024 45.448 24.597 1.00 0.00 ATOM 1091 CG PRO 2 371 41.759 46.283 24.474 1.00 0.00 ATOM 1092 CD PRO 2 371 41.?96 46.769 23.048 1.00 0.00 ATOM 1093 N LYS 2 372 46.346 45.646 23.662 1.00 0.00 M 1094 CA LYS 2 372 47.537 44.799 23.677 1.00 0.00 ATO LYS 2 372 47 44.047 22.394 1.00 0.00 ATOM 1095 C 2 372 . 435 21.560 1.00 0.00 ATOM 1096 O LYS . .

ATOM 1097 CB LYS 2 372 47.491 43.853 24.891 1.00 0.00 ATOM 1098 CG LYS 2 372 48.353 44.204 26.117 1.00 0.00 ATOM 1099 CD LYS 2 372 48.053 45.548 26.786 1.00 0.00 ATOM 1100 CE LYS 2 372 49.931 46.685 26.260 1.00 0.00 ATOM 1101 NZ LYS 2 372 48.513 47.943 26.871 1.00 0.00 ATOM 1102 H LYS 2 372 46.404 46.554 24.085 1.00 0.00 ATOM 1103 1HZ LYS 2 372 48.205 47.775 27.841 1.00 0.00 ATOM 1104 2HZ LYS 2 372 49.328 48.571 26.986 1.00 0.00 ATOM 1105 3HZ LYS 2 372 47.743 48.402 26.341 1.00 0.00 ATOM 1106 N GLY 2 373 47.090 42.934 22.246 1.00 0.00 ATOM 1107 CA GLY 2 373 47.313 42.011 21.135 1.00 0.00 1108 C GLY 2 373 47.226 42.547 19.706 1.00 0.00 ATOM GLY 2 373 436 41.796 18.753 1.00 0.00 ATOM 1109 O 373 . 795 22.924 1.00 0.00 ATOM 1110 H GLY 2 . . 545 1.00 0.00 ATOM 1111 N SER 2 374 46.926 . .

ATOM 1112 CA SER 2 374 47.157 44.442 18.232 1.00 0.00 ATOM 1113 C SER 2 374 47.540 45.903 18.279 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1114 O SER 2 374 47.007 46.713 19.033 1.00 0.00 ATOM 1115 CB SER 2 374 45.944 44.288 17.329 1.00 0.00 ATOM 1116 OG SER 2 374 45.792 42.917 16.941 1.00 0.00 ATOM 1117 H SER 2 374 46.725 44.454 20.316 1.00 0.00 ATOM 1118 HG SER 2 374 45.932 42.38-5 17.724 1.00 0.00 ATOM 1119 N ALA 2 375 48.486 46.238 17.388 1.00 0.00 _ ATOM 1120 CA ALA 2 375 48.902 47.636 17.257 1.00 0.00 ' ATOM 1121 C ALA 2 375 47.990 48.502 16.389 1.00 0.00 ATOM 1122 0 ALA 2 375 48.424 49.315 15.570 1.00 0.00 ATOM 1123 CB ALA 2 375 50.332 47.689 16.715 1.00 0.00 ATOM 1124 H ALA 2 375 48.890 45.518 16.830 1.00 0.00 ATOM 1125 N LEU 2 376 46.673 48.276 16.592 1.00 0.00 ATOM 1126 CA LEU 2 376 45.682 49.143 15.954 1.00 0.00 ATOM 1127 C LEU 2 376 45.771 50.567 16.469 1.00 0.00 ATOM 1128 O LEU 2 376 45.368 51.515 15.805 1.00 0.00 ATOM 1129 CB LEU 2 376 44.249 48.658 16.193 1.00 0.00 ATOM 1130 CG LEU 2 376 44.024 47.148 16.150 1.00 0.00 ATOM 1131 CD1 LEU 2 376 42.767 46.753 16.923 1.00 0.00 ATOM 1132 CD2 LEU 2 376 44.030 46.595 14.728 1.00 0.00 ATOM 1133 H LEU 2 376 46.456 47.762 17.420 1.00 0.00 ATOM 1134 N GLY 2 377 46.336 50.662 17.682 1.00 0.00 ATOM 1135 CA GLY 2 377 46.646 51.939 18.325 1.00 0.00 ATOM 1136 C GLY 2 377 47.290 52.942 17.401 1.00 0.00 ATOM 1137 O GLY 2 377 46.819 54.061 17.224 1.00 0.00 ATOM 1138 H GLY 2 3?7 46.515 49.796 18.148 1.00 0.00 ATOM 1139 N ASN 2 378 48.350 52.466 16.726 1.00 0.00 ATOM 1140 CA ASN 2 378 49.029 53.320 15.727 1.00 0.00 ATOM 1141 C ASN 2 378 48.098 53.943 14.694 1.00 0.00 ATOM 1142 O ASN 2 378 48.196 55.125 14.343 1.00 0.00 ATOM 1143 CB ASN 2 378 50.136 52.546 14.979 1.00 0.00 ATOM 1144 CG ASN 2 378 51.052 51.799 15.931 1.00 0.00 ATOM 1145 OD1 ASN 2 378 50.643 50.880 16.626 1.00 0.00 ATOM 1146 ND2 ASN 2 378 52.321 52.210 15.947 1.40 0.00 ATOM 1147 H ASN 2 378 48.712 51.579 17.033 1.00 0.00 ATOM 1148 1HD2 ASN 2 378 52.968 51.789 16.588 1.00 0.00 ATOM 1149 2HD2 ASN 2 378 52.683 52.906 15.325 1.00 0.00 ATOM 1150 N ALA 2 379 47.174 53.076 14.232 1.00 0.00 ATOM 1151 CA ALA 2 379 46.218 53.594 13.261 1.00 0.00 ATOM 1152 C ALA 2 379 45.327 54.674 13.840 1.00 0.00 ATOM 1153 O ALA 2 379 45.123 55.734 13.249 1.00 0.00 ATOM 1154 CB ALA 2 379 45.350 52.470 12.687 1.00 0.00 ATOM 1155 H ALA 2 379 46.992 52.239 14.750 1.00 0.00 ATOM 1156 N VAL 2 380 44.814 54.409 15.053 1.00 0.00 ATOM 1157 CA VAL 2 380 43.858 55.372 15.617 1.00 0.00 ATOM 1158 C VAL 2 380 44.423 56.777 15.821 1.00 0.00 ATOM 1159 O VAL 2 380 43.834 57.806 15.484 1.00 0.00 ATOM 1160 CB VAL 2 380 43.245 54.945 16.914 1.00 0.00 ATOM 1161 CG1 VAL 2 380 42.087 55.751 17.322 1.00 0.00 ATOM 1162 CG2 VAL 2 380 42.796 53.387 16.792 1.00 0.00 ATOM 1163 H VAL 2 380 45.044 53.551 15.513 1.00 0.00 ATOM 1164 N ASN 2 381 45.676 56.765 16.316 1.00 0.00 ATOM 1165 CA ASN 2 381 46.383 58.044 16.391 1.00 0.00 ATOM 1166 C ASN 2 381 46.407 58.796 15.071 1.00 0.00 ATOM 1167 O ASN 2 381 45.797 59.847 14.955 1.00 0.00 ATOM 1168 CB ASN 2 381 47.794 57.895 16.968 1.00 0.00 ATOM 1169 CG ASN 2 381 48.367 59.281 17.221 1.00 0.00 ATOM 1170 OD1 ASN 2 381 49.196 59.799 16.483 1.00 0.00 ATOM 1171 ND2 ASN 2 381 47.867 59.879, 18.308 1.00 0.00 ATOM 1172 H ASN 2 381 46.070 55.952 16.751 1.00 0.00 ATOM 1173 1HD2 ASN 2 381 48.250 60.754 18.599 1.00 0.00 ATOM 1174 2HD2 ASN 2 381 47.118 59.465 18.834 1.00 0.00 ATOM 1175 N LEU 2 382 47.065 58.185 14.069 1.00 0.00 $1 SUBSTITUTE SHEET (RULE 26) ATOM 1176 CA LEU 2 382 47.081 58.801 12.735 1.00 0.00 ATOM 1177 C LEU 2 382 45.740 59.364 12.260 1.00 0.00 ATOM 1178 O LEU 2 382 45.618 60..47011.750 1.00 0.00 ATOM 1179 CB LEU 2 382 47.643 57.799 11.721 1.00 0.00 ATOM 1180 CG LEU 2 382 47.891 58.375 10.322 1.00 0.00 ATOM 1181 CD1 LEU 2 382 48.913 59.515 10.335 1.00 0.00 ATOM 1182 CD2-LEU 2 382 48.263 57.280 9.322 1.00 0.00 ATOM 1183 H LEU 2 382 47.617 57.375 14.265 1.00 0.00 ATOM 1184 N ALA 2 383 44.710 58.539 12.502 1.00 0.00 ATOM 1185 CA ALA 2 383 43.355 58.962 12.152 1.00 0.00 ATOM 1186 C ALA 2 383 42.842 60.215 12.849 1.00 0.00 ATOM 1187 O ALA 2 383 42.851 61.300 12.276 1.00 0.00 ATOM 1188 CB ALA 2 383 42.367 57.806 12.338 1.00 0.00 ATOM 1189 H ALA 2 383 44.899 57.714 13.034 1.00 0.00 ATOM 1190 N VAL 2 384 42.360 60.058 14.093 1.00 0.00 ATOM 1191 CA VAL 2 384 41.676 61.197 14.723 1.00 0.00 ATOM 1192 C VAL 2 384 43.608 62.303 15.228 1.00 0.00 ATOM 1193 O VAL 2 384 42.231 63.359 15.729 1.00 0.00 ATOM 1194 CB VAL 2 384 40.708 60.719 15.821 1.00 0.00 ATOM 1195 CG1 VAL 2 384 39.622 61.762 16.105 1.00 0.00 ATOM 1196 CG2 VAL 2 384 40.064 59.374 15.475 1.00 0.00 ATOM 1197 H VAL 2 384 42.584 59.215 14.579 1.00 0.00 ATOM 1198 N LEU 2 385 43.907 62.030 15.064 1.00 0.00 ATOM 1199 CA LEU 2 385 44.806 63.172 14.999 1.00 0.00 ATOM 1200 C LEU 2 385 44.788 63.857 13.642 1.00 0.00 ATOM 1201 O LEU 2 385 44.546 65.051 13.561 1.00 0.00 ATOM 1202 CB LEU 2 385 46.223 62.814 15.452 1.00 0.00 ATOM 1203 CG LEU 2 385 47.048 64.019 15.911 1.00 0.00 ATOM 1204 CD1 LEU 2 385 46.386 54.758 17.079 1.00 0.00 ATOM 1205 CD2 LEU 2 385 48.485 63.614 16.238 1.00 0.00 ATOM 1206 H LEU 2 385 44.195 61.124 14.760 1.00 0.00 ATOM 1207 N LYS 2 386 45.012 63.106 12.553 1.00 0.00 ATOM 1208 CA LYS 2 386 44.980 63.837 11.281 1.00 0.00 ATOM 1209 C LYS 2 386 43.587 64.054 10.677 1.00 0.00 ATOM 1210 O LYS 2 386 43.404 64.438 9.518 1.00 0.00 ATOM 1211 CB LYS 2 386 46.001 63.255 10.292 1.00 0.00 ATOM 1212 CG LYS 2 386 46.597 64.307 9.347 1.00 0.00 ATOM 1213 CD LYS 2 386 46.042 64.252 7.920 1.00 0.00 ATOM 1214 CE LYS 2 386 45.833 65.645 7.319 1.00 0.00 ATOM 1215 NZ LYS 2 386 44.704 66.302 7.985 1.00 0.00 ATOM 1216 H LYS 2 386 44.969 62.109 12.598 1.00 0.00 ATOM 1217 1HZ LYS 2 386 44.941 67.275 8.254 1.00 0.00 ATOM 1218 2HZ LYS 2 386 43.823 66.318 7.445 1.00 0.00 ATOM 1219 3HZ LYS 2 386 44.435 65.865 8.903 1.00 0.00 ATOM 1220 N LEU 2 387 42.589 63.798 11.533 1.00 0.00 ATOM 1221 CA LEU 2 387 41.236 64.308 11.306 1.00 0.00 ATOM 1222 C LEU 2 387 40.900 65.419 12.295 1.00 0.00 ATOM 1223 O LEU 2 387 39.761 65.862 12.468 1.00 0.00 ATOM 1224 CB LEU 2 387 40.196 63.187 11.420 1.00 0.00 ATOM 1225 CG LEU 2 387 40.418 61.981 10.497 1.00 0.00 ATOM 1226 CD1 LEU 2 387 39.437 60.850 10.811 1.00 0.00 ATOM 1227 CD2 LEU 2 387 40.419 62.349 9.013 1.00 0.00 ATOM 1228 H LEU 2 387 42.815 63.323 12.383 1.00 0.00 ATOM 1229 N ASN 2 388 41.959 65.831 13.005 1.00 0.00 ATOM 1230 CA ASN 2 388 41.752 66.780 14.087 1.00 0.00 ATOM 1231 C ASN 2 388 42.241 68.159 13.771 1.00 0.00 ATOM 1232 O ASN 2 388 41.510 69.116 14.001 1.00 0.00 ATOM 1233 CB ASN 2 388 42.358 66.337 15.415 1.00 0.00 ATOM 1234 CG ASN 2 388 41.231 66.181 16.407 1.00 0.00 ATOM 1235 OD1 ASN 2 388 40.123 65.775 16.055 1.00 0.00 ATOM 1236 ND2 ASN 2 388 41.525 66.605 17.638 1.00 0.00 ATOM 1237 H ASN 2 388 42.894 65.593 12.742 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1238 1HD2ASN 2 388 40.777 66.689 18.300 1.00 0.00 ATOM 1239 2HD2ASN 2 388 42.475 66.811 17.886 1.00 0.00 ATOM 1240 N GLU 2 389 43.458 68.208 13.225 1.00 0.00 ATOM 1241 CA GLU 2 389 43.967 69.493 12.734 1.00 0.00 ATOM 1242 C GLU 2 389 43.166 70.080 11.580 1.00 0.00 ATOM 1243 O GLU 2 389 43.157 71.273 11.305 1.00 0.00 ATOM 1244 _ GLU 2 389 45.459 69.405 12.368 1.00 0.00 CH
-ATOM 1245 CG GLU 2 389 45.935 68.154 11.607 1.00 0.00 ATOM 1246 CD GLU 2 389 -45.07667.881 10.387 1.00 0.00 ATOM 1247 OE1 GLU 2 389 44.279 66.959 10.414 1.00 0.00 ATOM 1248 OE2 GLU 2 389 45.165 68.579 9.389 1.00 0.00 ATOM 1249 H GLU 2 389 43.945 67.352 13.033 1.00 0.00 ATOM 1250 N GIN 2 390 42.447 69.183 10.886 1.00 0.00 ATOM 1251 CA GLN 2 390 41.512 69.667 9.866 1.00 0.00 ATOM 1252 C GLN 2 390 40.128 70.010 10.406 1.00 0.00 ATOM 1253 O GLN 2 390 39.182 70.368 9.701 1.00 0.00 ATOM 1254 CB GLN 2 390 41.440 68.655 8.722 1.00 0.00 ATOM 1255 CG GLN 2 390 41.015 67.260 9.182 1.00 0.00 ATOM 1256 CD GLN 2 390 41.130 66.296 8.026 1.00 0.00 ATOM 1257 OE1 GLN 2 390 42.123 66.225 7.308 1.00 0.00 ATOM 1258 NE2 GLN 2 390 40.034 65.569 7.804 1.00 0.00 ATOM 1259 H GLN 2 390 42.650 68.217 11.056 1.00 0.00 ATOM 1260 1HE2GLN 2 390 39.946 65.009 6.985 1.00 0.00 ATOM 1261 2HE2GLN 2 390 39.304 65.608 8.485 1.00 0.00 ATOM 1262 N GLY 2 391 40.030 69.839 11.740 1.00 0.00 ATOM 1263 CA GLY 2 391 38.755 70.051 12.418 1.00 0.00 ATOM 1264 C GLY 2 391 37.623 69.133 11.997 1.00 0.00 ATOM 1265 O GLY 2 391 36.449 69.488 12.157 1.00 0.00 ATOM 1266 H GLY 2 391 40.074 69.699 12.260 1.00 0.00 ATOM 1267 N LEU 2 392 38.006 67.950 11.479 1.00 0.00 ATOM 1268 CA LEU 2 392 36.907 67.054 11.140 1.00 0.00 ATOM 1269 C LEU 2 392 36.081 66.698 12.359 1.00 0.00 ATOM 1270 O LEU 2 392 34.859 66.699 12.314 1.00 0.00 ATOM 1271 CB LEU 2 392 37.392 65.801 10.407 1.00 0.00 ATOM 1272 CG LEU 2 392 36.268 65.013 9.728 1.00 0.00 ATOM 1273 CDl LEU 2 392 35.659 65.789 8.559 1.00 0.00 ATOM 1274 CD2 LEU 2 392 36.715 63.614 9.305 1.00 0.00 ATOM 1275 H LEU 2 392 38.952 67.656 11.581 1.00 0.00 ATOM 1276 N LEU 2 393 36.805 66.473 13.474 1.00 0.00 ATOM 1277 CA LEU 2 393 36.123 66.183 14.742 1.00 0.00 ATOM 1278 C LEU 2 393 35.016 67.149 15.135 1.00 0.00 ATOM 1279 O LEU 2 393 33.870 66.755 15.288 1.00 0.00 ATOM 1280 CB LEU 2 393 37.126 66.041 15.881 1.00 0.00 ATOM 1281 CG LEU 2 393 36.631 65.166 17.034 1.00 0.00 ATOM 1282 CD1 LEU 2 393 36.308 63.750 16.559 1.00 0.00 ATOM 1283 CD2 LEU 2 393 37.619.65.150 18.200 1.00 0.00 ATOM 1284 H LEU 2 393 37.801 66.445 13.352 1.00 0.00 ATOM 12$5 N ASP 2 394 35.362 68.460 15.207 1.00 0.00 ATOM 1286 CA ASP 2 394 34.270 69.421 15.492 1.00 0.00 ATOM 1287 C ASP 2 394 33.103 69.311 14.518 1.00 0.00 ATOM 1288 O ASP 2 394 31.941 69.076 14.853 1.00 0.00 ATOM 1289 CB ASP 2 394 34.747 70.886 15.613 1.00 0.00 ATOM 1290 CG ASP 2 394 33.606 71.825 16.035 1.00 0.00 ATOM 1291 OD1 ASP 2 394 33.183 72.653 15.232 1.00 0.00 ATOM 1292 OD2 ASP 2 394 33.122 71.733 17.163 1.00 0.00 ATOM 1293 H ASP 2 394 36.319 68.744 15.153 1.00 0.00 ATOM 1294 N LYS 2 395 33.485 69.360 13.242 1.00 0.00 ATOM 1295 CA LYS 2 395 32.507 69.101 12.184 1.00 0.00 ATOM 1296 C LYS 2 395 31.657 67.837 12.377 1.00 0.00 ATOM 1297 O LYS 2 395 30.491 67.728 12.008 1.00 0.00 ATOM 1298 CB LYS 2 395 33.292 69.073 10.889 1.00 0.00 ATOM 1299 CG LYS 2 395 32.504 69.158 ' 9.5981.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1300 CD LYS 2 395 33.543 69.028 8.502 1.00 0.00 ATOM 1301 CE LYS 2 395 32.998 69.174 7.097 1.00 0.00 ATOM 1302 NZ LYS 2 395 34.120 68.873 6.205 1.00 0.00 ATOM 1303 H LYS 2 395 34.432 69.624 13.072 1.00 0.00 ATOM 1304 IHZ LYS 2 395 34.357 67.864 6.266 1.00 0.00 ATOM 1305 2HZ LYS 2 395 33.856 69.126 5.236 1.00 0.00 ATOM 1306 3HZ LYS 2 395 34.948 69.427 6.503 1.00 0.00 ATOM 1307 N LEU 2 396 32.272 66.867 13.052 1.00 0.00 ATOM 1308 CA LEU 2 396 31.581 65.615 13.333 1.00 0.00 ~

ATOM 1309 C LEU 2 396 30.696 65.582 14.573 1.00 0.00 ATOM 1310 O LEU 2 396 29.575 65.093 14.489 1.00 0.00 ATOM 1311 CB LEU 2 396 32.567 64.444 13.294 1.00 0.00 ATOM 1312 CG LEU 2 396 32.429 63.574 12.039 1.00 0.00 ATOM 1313 CD1 LEU 2 396 32.507 64.374 10.737 1.00 0.00 ATOM 1314 CD2 LEU 2 396 33.425 62.417 12.048 1.00 0.00 ATOM 1315 H LEU 2 396 33.219 66.979 13.353 1.00 0.00 ATOM 1316 N LYS 2 397 31.202 66.115 15.705 1.00 0.00 ATOM 1317 CA LYS 2 397 30.365 66.234 16.914 1.00 0.00 ATOM 1318 C LYS 2 397 29.303 67.315 16.888 1.00 0.00 ATOM 1319 O LYS 2 397 28.351 67.326 17.675 1.00 0.00 ATOM 1320 CB LYS 2 397 31.180 66.356 18.229 1.00 0.00 ATOM 1321 CG LYS 2 397 32.331 67.372 18.328 1.00 0.00 ATOM 1322 CD LYS 2 397 32.004 68.849 18.073 1.00 0.00 ATOM 1323 CE LYS 2 397 31.159 69.624 19.086 1.00 0.00 ATOM 1324 NZ LYS 2 397 30.794 70.914 18.489 1.00 0.00 ATOM 1325 H LYS 2 397 32.116 66.523 15.710 1.00 0.00 ATOM 1326 1HZ LYS 2 397 30.704 71.662 19.201 1.00 0.00 ATOM 1327 2HZ LYS 2 397 31.516 71.194 17.795 1.00 0.00 ATOM 1328 3HZ LYS 2 397 29.865 70.849 18.027 1.00 0.00 ATOM 1329 N ASN 2 398 29.498 68.230 15.929 1.00 0.00 ATOM 1330 CA ASN 2 398 28.538 69.323 15.743 1.00 0.00 ATOM 1331 C ASN 2 398 27.245 68.913 15.068 1.00 0.00 ATOM 1332 O ASN 2 398 26.587 69.677 14.373 1.00 0.00 ATOM 1333 CB ASN 2 398 29.153 70.485 14.962 1.00 0.00 ATOM 1334 CG ASN 2 398 29.129 71.747 15.798 1.00 0.00 ATOM 1335 OD1 ASH 2 398 28.125 72.177 16.357 1.00 0.00 ATOM 1336 ND2 ASN 2 398 30.328 72.327 15.899 1.00 0.00 ATOM 1337 H ASN 2 398 30.328 68.159 15.378 1.00 0.00 ATOM 1338 1HD2 ASN 2 398 30.447 73.128 16.481 1.00 0.00 ATOM 1339 2HD2 ASN 2 398 31.153 72.060 15.393 1.00 0.00 ATOM 1340 N LYS 2 399 26.880 67.633 15.271 1.00 0.00 ATOM 1341 CA LYS 2 399 25.511 67.187 15.009 1.00 0.00 ATOM 1342 C LYS 2 399 24.765 66.868 16.314 1.00 0.00 ATOM 1343 O LYS 2 399 23.687 66.280 16.346 1.00 0.00 ATOM 1344 CB LYS 2 399 25.507 65.964 14.071 1.00 0.00 ATOM 1345 CG LYS 2 399 26.746 65.778 13.173 1.00 0.00 ATOM 1346 CD LYS 2 399 26.716 64.474 12.357 1.00 0.00 ATOM 1347 CE LYS 2 399 28.006 64.151 11.581 1.00 0.00 ATOM 1348 NZ LYS 2 399 29.028 63.512 12.413 1.00 0.00 ATOM 1349 H LYS 2 399 27.521 67.007 15.710 1.00 0.00 ATOM 1350 1HZ LYS 2 399 28.967 63.773 13.417 1.00 0.00 ATOM 1351 2HZ LYS 2 399 29.021 62.476 12.283 1.00 0.00 ATOM 1352 3HZ LYS 2 399 29.939 63.838 12.060 1.00 0.00 ATOM 1353 N TRP 2 400 25.438 67.233 17.425 1.00 0.00 ATOM 1354 CA TRP 2 400 24.909 67.004 18.770 1.00 0.00 ATOM 1355 C TRP 2 400 25.209 68.198 19.656 1.00 0.00 ATOM 1356 O TRP 2 400 24.317 68.862 20.185 1.00 0.00 ATOM 1357 CB TRP 2 400 25.486 65.728 19.410 1.00 0.00 ATOM 1358 CG TRP 2 400 24.968 64.487 18.718 1.00 0.00 ATOM 1359 CD1 TRP 2 400 23.811 63.760 19.044 1.00 0.00 ATOM 1360 CD2 TRP 2 400 25.529 63.812 17.573 1.00 0.00 ATOM 1361 NE1 TRP 2 400 23.627 62.711 18.194 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1362 CE2 TRP 2 400 24.663 62.708 17.265 1.00 0.00 ATOM 1363 CE3 TRP 2 400 26.678 64.047 16.789 1.00 0.00 ATOM 1364 CZ2 TRP 2 400 24.959 61.873 16.166 1.00 0.00 ATOM 1365 CZ3 TRP 2 400 26.959 63.200 15.697 l.Ob 0.00 ATOM 1366 CH2 TRP 2 400 26.104 62.123 15.382 1.00 0.00 ATOM 1367 H TRP 2 400 26.268 67.784 17.338 1.00 0.00 ATOM 1368 HE1- TRP 2 400 22.898 62.049 18.223 1.00 0.00 ATOM 1369 N TRP 2 401 26.522 68.460 19.766 1.00 0.00 ATOM 1370 CA TRP 2 401 26.954 69.487 20.704 1.00 0.00 ATOM 1371 C TRP 2 401 27.384 70.024 20.024 1.00 0.00 ATOM 1372 O TRP 2 401 28.144 70.757 19.054 1.00 0.00 ATOM 1373 CB TRP 2 401 28.112 68.970 21.570 1.00 0.00 ATOM 1374 CG TRP 2 401 27.769 67.657 22.239 1.00 0.00 ATOM 1375 CD1 TRP 2 401 26.668 67.394 23.067 1.00 0.00 ATOM 1376 CD2 TRP 2 401 28.500 66.412 22.180 1.00 0.00 ATOM 1377 NE1 TRP 2 401 26.673 66.109 23.508 1.00 0.00 ATOM 1378 CE2 TRP 2 401 27.788 65.460 22.987 1.00 0.00 ATOM 1379 CE3 TRP 2 401 29.688 66.026 21.524 1.00 0.00 ATOM 1380 CZ2 TRP 2 401 28.281 64.145 23.120 1.00 0.00 ATOM 1381 CZ3 TRP 2 401 30.170 64.707 21.665 1.00 0.00 ATOM 1382 CH2 TRP 2 401 29.471 63.771 22.459 1.00 0.00 ATOM 1383 H TRP 2 401 27.185 68.007 19.175 1.00 0.00 ATOM 1384 HE1 TRP 2 401 25.987 65.758 24.126 1.00 0.00 ATOM 1385 N TYR 2 402 26.915 71.879 20.627 1.00 0.00 ATOM 1386 CA TYR 2 402 27.400 73.191 20.209 1.00 0.00 ATOM 1387 C TYR 2 402 28.878 73.399 20.581 1.00 0.00 ATOM 1388 O TYR 2 402 29.753 72.935 19.847 1.00 0.00 ATOM 1389 CH TYR 2 402 26.475 74.310 20.746 1.00 0.00 ATOM 1390 CG TYR 2 402 25.011 74.189 20.336 1.00 0.00 ATOM 1391 CD1 TYR 2 402 24.638 74.314 18.980 1.00 0.00 ATOM 1392 CD2 TYR 2 402 24.036 74.000 21.341 1.00 0.00 ATOM 1393 CE1 TYR 2 402 23.272 74.287 18.632 1.00 0.00 ATOM 1394 CE2 TYR 2 402 22.669 73.976 20.993 1.00 0.00 ATOM 1395 CZ TYR 2 402 22.294 74.128 19.641 1.00 0.00 ATOM 1396 OH TYR 2 402 20.943 74.106 19.288 1.00 0.00 ATOM 1397 H TYR 2 402 26.344 71.829 21.447 1.00 0.00 ATOM 1398 HH TYR 2 402 20.974 74.065 18.336 1.00 0.00 ATOM 1399 N ASP 2 403 29.106 74.092 21.719 1.00 0.00 ATOM 1400 CA ASP 2 403 30.498 74.420 22.060 1.00 0.00 ATOM 1401 C ASP 2 403 31.161 73.316 22.869 1.00 0.00 ATOM 1402 O ASP 2 403 30.495 72.678 23.690 1.00 O.OD

ATOM 1403 CB ASP 2 403 30.534 75.752 22.836 1.00 0.00 ATOM 1404 CG ASP 2 403 31.956 76.263 23.031 1.00 0.00 ATOM 1405 ODl ASP 2 403 32.691 76.322 22.051 1.00 0.00 ATOM 1406 OD2 ASP 2 403 32.331 76.599 24.154 1.00 0.00 ATOM 1407 H ASP 2 403 28.387 74.269 22.386 1.00 0.00 ATOM 1408 N LYS 2 404 32.469 73.098 22.639 1.00 0.00 ATOM 1409 CA LYS 2 404 33.061 72.033 23.457 1.00 0.00 ATOM 1410 C LYS 2 404 34.342 72.353 24.218 1.00 0.00 ATOM 1411 O LYS 2 404 34.394 72.207 25.441 1.00 0.00 ATOM 1412 CB LYS 2 404 33.216 70.687 22.723 1.00 0.00 ATOM 1413 CG LYS 2 404 33.094 69.547 23.750 1.00 0.00 ATOM 1414 CD LYS 2 404 33.852 68.245 23.463 1.00 0.00 ATOM 1415 CE LYS 2 404 33.352 67.394 22.295 1.00 0.00 ATOM 1416 NZ LYS 2 404 34.259 66.255 22.103 1.00 0.00 ATOM 1417 H LYS 2 404 32.986 73.734 22.056 1.00 0.00 ATOM 1418 1HZ LYS 2 404 33.959 65.405 22.612 1.00 0.00 ATOM 1419 2HZ LYS 2 404 34.398 66.018 21.104 1.00 0.00 ATOM 1420 3HZ LYS 2 404 35.190 66.533 22.454 1.00 0.00 ATOM 1421 N GLY 2 405 35.361 72.756 23.444 1.00 0.00 ATOM 1422 CA GLY 2 405 36.660 73.027 24.065 1.00 0.00 ATOM 1423 C GLY 2 405 37.572 71.815 24.165 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1424 0 GLY 2 405 38.013 71.397 25.240 1.00 0.00 ATOM 1425 H GLY 2 405 35.233 72.824 22.455 1.00 0.00 ATOM 1426 N GLU 2 406 37.858 71.239 22.988 1.00 0.00 ATOM 1427 CA GLU 2 406 38.841 70.155 23.034 1.00 0.00 ATOM 1428 C GLU 2 406 40.226 70.662 23.448 1.00 0.00 ATOM 1429 O GLU 2 406 40.824 71.525 22.810 1.00 0.00 ATOM 1430 _ GLU 2 406 38.882 69.401 21.696 1.00 0.00 CB
' ATOM 1431 CG GLU 2 406 37.505 69.104 21.074 1.00 0.00 ATOM 1432 CD GLU 2 406 36.885 67.763 21.460 1.00 0.00 ATOM 1433 OE1 GLU 2 406 36.274 67.140 20.612 1.00 0.00 ATOM 1434 OE2 GLU 2 406 36.944 67.309 22.592 1.00 0.00 ATOM 1435 H GLU 2 406 37.604 71.743 22.168 1.00 0.00 ATOM 1436 N CYS 2 407 40.671 70.094 24.576 1.00 0.00 ATOM 1437 CA CYS 2 407 41.855 70.695 25.174 1.00 0.00 ATOM 1438 C CYS 2 407 43.163 69.990 24.898 1.00 0.00 ATOM 1439 O CYS 2 407 43.321 68.773 25.009 1.00 0.00 ATOM 1440 CB CYS 2 407 41.654 70.853 26.678 1.00 0.00 ATOM 1441 SG CYS 2 407 43.020 71.687 27.536 1.00 0.00 ATOM 1442 H CYS 2 407 40.134 69.408 25.059 1.00 0.00 ATOM 1443 N GLY 2 408 44.141 70.862 24.585 1.00 0.00 ATOM 1444 CA GLY 2 408 45.548 70.490 24.757 1.00 0.00 ATOM 1445 C GLY 2 408 45.878 70.421 26.233 1.00 0.00 ATOM 1446 O GLY 2 408 46.262 71.391 26.880 1.00 0.00 ATOM 1447 H GLY 2 408 43.879 71.819 24.457 1.00 0.00 ATOM 1448 N SER 2 409 45.569 69.225 26.751 1.00 0.00 ATOM 1449 CA SER 2 409 45.345 69.08D 28.185 1.00 0.00 ATOM 1450 C SER 2 409 46.609 68.994 29.024 1.00 0.00 ATOM 1451 O SER 2 409 46.953 67.948 29.551 1.00 0.00 ATOM 1452 CB SER 2 409 44.419 67.879 28.430 1.00 0.00 ATOM 1453 OG SER 2 409 43.214 67.996 27.641 1.00 0.00 ATOM 1454 H SER 2 409 45.468 68.466 26.107 1.00 0.00 ATOM 1455 HG SER 2 409 43.506 68.029 26.726 1.00 0.00 ATOM 1456 N GLY 2 410 47.282 70.150 29.146 1.00 0.00 ATOM 1457 CA GLY 2 410 48.557 70.142 29.860 1.00 0.00 ATOM 1458 C GLY 2 410 49.702 69.883 28.904 1.00 0.00 ATOM 1459 O GLY 2 410 50.326 68.828 28.875 1.00 0.00 ATOM 1460 H GLY 2 410 46.979 70.927 28.591 1.00 0.00 ATOM 1461 N GLY 2 411 49.922 70.906 28.072 1.00 0.00 ATOM 1462 CA GLY 2 411 50.778 70.643 26.922 1.00 0.00 ATOM 1463 C GLY 2 411 49.984 69.827 25.928 1.00 0.00 ATOM 1464 O GLY 2 411 48.825 70.128 25.666 1.00 0.00 ATOM 1465 H GLY 2 411 49.363 71.729 28.131 1. 0.00 ATOM 1466 N GLY 2 412 50.636 68.774 25.425 1.00 '0.00 ATOM 1467 CA GLY 2 412 49.882 67.855 24.580 1.00 0.00 ATOM 1468 C GLY 2 412 49.566 68.412 23.208 1.00 0.00 ATOM 1469 O GLY 2 412 50.432.68.550 22.346 1.00 0.00 ATOM 1470 H GLY 2 412 51.603 68.629 25.623 1.00 0.00 ATOM 1471 N ASP 2 413 48.272 68.689 23.035 1.00 0.00 ATOM 1472 CA ASP 2 413 47.825 69.187 21.736 1.00 0.00 ATOM 1473 C ASP 2 413 48.251 70.636 21.536 1.00 0.00 ATOM 1474 O ASP 2 413 48.822 71.269 22.425 1.00 0.00 ATOM 1475 CB ASP 2 413 46.310 68.969 21.551 1.00 0.00 ATOM 1476 CG ASP 2 413 45.970 67.482 21.524 1.00 0.00 ATOM 1477 OD1 ASP 2 413 45.683 66.934 20.460 1.00 0.00 ATOM 1478 OD2 ASP 2 413 46.017 66.816 22.557 1.00 0.00 ATOM 1479 H ASP 2 413 47.673 68.730 23.835 1.00 0.00 ATOM 1480 N SER 2 414 48.012 71.112 20.310 1.00 0.00 ATOM 1481 CA SER 2 414 48.670 72.575 19.990 1.00 0.00 ATOM 1482 C SER 2 414 47.878 73.146 18.965 1.00 0.00 ATOM 1483 O SER 2 414 48.142 73.109 17.764 1.00 0.00 ATOM 1484 CB SER 2 414 50.117 72.112 19.545 1.00 0.00 ATOM 1485 OG SER 2 414 50.870 73.331 '19.4911.00 0.00 SUBSTITUTE SHEET (RULE 26) T

ATOM 1486 H SER 2 414 47.454 70.606 19.653 1.00 0.00 ATOM 1487 HG SER 2 414 50.656 73.720 18.648 1.00 0.00 ATOM 1488 N LYS 2 415 46.856 73.813 19.498 1.00 0.00 ATOM 1489 CA LYS 2 415 45.914 74.499 18.636 1.00 0.00 ATOM 1490 C LYS 2 415 45.625 75.893 19.182 1.00 0.00 ATOM 1491 0 LYS 2 415 45.427 76.064 20.378 1.00 0.00 ATOM 1492 _ LYS 2 415 44.647 73.639 18.527 1.00 0.00 CB
' ATOM 1493 CG LYS 2 415 43.624 74.050 17.461 1.00 0.00 ATOM 1494 CD LYS 2 415 ~ 42.22474.241 3.8.0621.00 0.00 ATOM 1495 CE LYS 2 415 41.854 75.694 18.399 1.00 0.00 ATOM 1496 NZ LYS 2 415 42.985 76.385 19.026 1.00 0.00 ATOM 1497 OXT LYS 2 415 45.530 76.839 18.419 1.00 0.00 ATOM 1498 H LYS 2 415 46.709 73.853 20.485 1.00 0.00 ATOM 1499 1HZ LYS 2 415 42.762 77.304 19.442 1.00 0.00 ATOM 1500 2HZ LYS 2 415 43.511 75.800 19.714 1.00 0.00 ATOM 1501 3HZ LYS 2 415 43.696 76.542 18.280 1.00 0.00 ATOM 1502 N SER 1 1 47.032 42.057 20.492 1.00 0.00 ATOM 1503 CA SER 1 1 47.303 43.393 11.035 1.00 0.00 ATOM 1504 C SER 1 1 45.995 43.897 11.603 1.00 0.00 ATOM 1505 O SER 1 1 45.273 43.066 12.151 1.00 0.00 ATOM 1506 CB SER 1 1 47.891 44.212 9.881 1.00 0.00 ATOM 1507 OG SER 1 1 48.673 43.317 9.061 1.00 0.00 ATOM 1508 1H SER 1 1 46.308 42.167 9.754 1.00 0.00 ATOM 1509 2H SER 1 1 47.899 41.688 10.059 1.00 0.00 ATOM 1510 3H SER 1 1 46.666 41.421 11.224 1.00 0.00 ATOM 1511 HG SER 1 i 49.404 43.807 8.675 1.00 0.00 ATOM 1512 N SER 1 2 45.652 45.188 11.346 1.00 0.00 ATOM 1513 CA SER 1 2 44.220 45.473 11.210 1.00 0.00 ATOM 1514 C SER 1 2 43.609 44.454 10.253 1.00 0.00 ATOM 1515 O SER 1 2 44.146 44.2D5 9.173 1.00 0.00 ATOM 1516 CB SER 1 2 44.005 46.923 10.745 1.00 0.00 ATOM 1517 OG SER.1 2 44.631 47.851 11.662 1.00 0.00 ATOM 1518 H SER 1 2 46.315 45.897 11.131 1.00 0.00 ATOM 1519 HG SER 1 2 44.355 48.734 11.408 1.00 0.00 ATOM 1520 N GLU 1 3 42.591 43.791 10.797 1.00 0.00 ATOM 1521 CA GLU 1 3 42.407 42.382 10.459 1.00 0.00 ATOM 1522 C GLU 1 3 41.603 42.196 9.171 1.00 0.00 ATOM 1523 O GLU 1 3 41.620 43.062 8.294 1.00 0.00 ATOM 1524 CB GLU 1 3 41.817 41.743 11.723 1.00 0.00 ATOM 1525 CG GLU 1 3 42.113 40.280 12.056 1.00 0.00 ATOM 1526 CD GLU 1 3 41.142 39.801 13.129 1.00 0.00 ATOM 1527 OE1 GLU 1 3 40.555 38.740 12.957 1.00 0.00 ATOM 1528 OE2 GLU 1 3 40.960 40.463 14.150 1.00 0.00 ATOM 1529 H GLU 1 3 42.096 44.187 11.566 1.00 0.00 ATOM 1530 N ASN 1 4 40.887 41.056 9.065 1.00 0.00 ATOM 1531 CA ASN 1 4 39.950 41.050 7.941 1.00 0.00 ATOM 1532 C ASN 1 4 38.711 41.864 8.303 1.00 0.00 ATOM 1533 O ASN 1 4 38.269 42.742 7.566 1.00 0.00 ATOM 1534 CB ASN 1 4 39.643 39.620 7.453 1.00 0.00 ATOM 1535 CG ASN 1 4 39.405 39.557 5.939 1.00 0.00 ATOM 1536 OD1 ASN 1 4 39.976 38.757 5.203 1.00 0.00 ATOM 1537 ND2 ASN 1 4 38.475 40.408 5.484 1.00 0.00 ATOM 1538 H ASN 1 4 40.809 40.427 9.834 1.00 0.00 ATOM 1539 1HD2 ASN 1 4 38.246 40.274 4.521 1.00 0.00 ATOM 1540 2HD2 ASN 1 4 38.028 41.112 6.038 1.00 0.00 ATOM 1541 N ARG 1 5 38.209 41.597 9.521 1.00 0.00 ATOM 1542 CA ARG 1 5 37.366 42.620 10.140 1.00 0.00 ATOM 1543 C ARG 1 5 38.061 43.092 11.403 1.00 0.00 ATOM 1544 O ARG 1 S 38.982 42.450 11.979 1.00 0.00 ATOM 1545 CB ARG 1 5 35.963 42.101 10.485 1.00 0.00 ATOM 1546 CG ARG 1 5 35.150 41.522 9.320 1.00 0.00 ATOM 1547 CD ARG 1 5 34.826 42.488 8.168 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1548 NE ARG 1 5 33.966 43.612 8.557 1.00 0.00 ATOM 1549 CZ ARG 1 5 32.613 43.507 8.590 1.00 0.00 ATOM 1550 NH1 ARG 1 5 31.306 44.603 8.845 1.00 0.00 ATOM 1551 NH2 ARG 1 5 31.978 42.355 8.395 1.00 0.00 ATOM 1552 H ARG 1 5 38.562 40.873 10.117 1.00 0.00 ATOM 1553 HE ARG 1 5 34.360 44.527 8.685 1.00 0.00 ATOM 1554 1HH1 ARG 1 5 30.903 44.563 8.878 1.00 0.00 ATOM 1555 2HH1 ARG 1 5 32.339 45.497 9.006 1.00 0.00 ATOM 1556 1HH2 ARG 1 5 ~ 30.975 42.325 8.443 1.00 0.00 ATOM 1557 2HH2 ARG 1 5 32.464 41.509 8.198 1.00 0.00 ATOM 1558 N THR 1 6 37.630 44.240 11.923 1.00 0.00 ATOM 1559 CA THR 1 6 38.078 44.601 13.272 1. 0.00 OD

ATOM 1560 C THR 1 6 36.953 45.404 13.890 1.00 O.OD

ATOM 1561 O THR 1 6 36.277 46.127 13.150 1.00 0.00 ATOM 1562 CB THR 1 6 39.404 45.370 13.322 1.00 0.00 ATOM 1563 OG1 THR 1 6 40.179 44.957 12.078 1.00 0.00 ATOM 1564 CG2 THR 1 6 40.215 45.127 14.494 1. 0.00 OD

ATOM 1565 H THR 1 6 36.926 44.787 11.480 1.00 0.00 ATOM 1566 HG1 THR 1 6 40.113 43.999 12.080 1.00 0.00 ATOM 1567 N ILE 1 7 36.664 45.177 15.173 1.00 0.00 ATOM 1568 CA ILE 1 7 35.285 45.481 15.574 1.00 0.00 ATOM 1569 C ILE 1 7 35.103 46.750 16.418 1.00 0.00 ATOM 1570 O ILE 1 7 35.844 47.042 17.360 1.00 0.00 ATOM 1571 CB ILE 1 7 34.716 44.203 16.225 1.00 0.00 ATOM 1572 CGl ILE 1 7 34.863 42.999 15.286 1.00 0.00 ATOM 1573 CG2 ILE 1 7 33.258 44.332 16.677 1.00 0.00 ATOM 1574 CD1 ILE 1 7 34.493 41.659 15.928 1.00 0.00 ATOM 1575 H ILE 1 7 37.296 44.708 15.797 1.00 0.00 ATOM 1576 N VAL 1 8 34.076 47.518 16.032 1.00 0.00 ATOM 1577 CA VAL 1 8 33.654 48.559 16.961 1.00 0.00 ATOM 1578 C VAL 1 8 32.665 47.952 17.917 1.00 0.00 ATOM 1579 O VAL 1 8 31.543 47.672 17.520 1.00 0.00 ATOM 1580 CB VAL 1 8 33.015 49.706 16.170 1.00 0.00 ATOM 1581 CGl VAL 1 8 32.197 50.704 16.994 1.00 0.00 ATOM 1582 CG2 VAL 1 8 34.117 50.416 15.411 1.00 0.00 ATOM 1583 H VAL 1 8 33.477 47.180 15.313 1.00 0.00 ATOM 1584 N VAL 1 9 33.095 47.729 19.159 1.00 0.00 ATOM 1585 CA VAL 1 9 31.987 47.430 20.053 1.00 0.00 ATOM 1586 C VAL 1 9 31.515 48.668 20.762 1.00 0.00 ATOM 1587 O VAL 1 9 32.161 49.710 20.749 1.00 0.00 ATOM 1588 CB VAL 1 9 32.249 46.273 21.025 1.00 0.00 ATOM 1589 CG1 VAL 1 9 32.126 44.957 20.264 1.00 0.00 ATOM 1590 CG2 VAL 1 9 33.547 46.405 21.823 1.00 0.00 ATOM 1591 H VAL 1 9 34.023 47.889 19.488 1.00 0.00 ATOM 1592 N THR 1 10 30.351 48.510 21.380 1.00 0.00 ATOM 1593 CA THR 1 10 29.656 49.641 21.970 1.00 0.00 ATOM 1594 C THR 1 10 28.529 49.125 22.832 1.00 0.00 ATOM 1595 O THR 1 10 28.137 47.956 22.782 1.00 0.00 ATOM 1596 CB THR 1 10 29.133 50.582 20.864 1.00 0.00 ATOM 1597 OG1 THR 1 10 28.571 51.785 21.420 1.00 0.00 ATOM 1598 CG2 THR 1 10 28.131 49.918 19.912 1.00 0.00 ATOM 1599 H THR 1 10 29.880 47.636 21.310 1.00 0.00 ATOM 1600 HG1 THR 1 10 28.750 52.452 20.747 1.00 0.00 ATOM 1601 N THR 1 11 27.992 50.044 23.634 1.00 0.00 ATOM 1602 CA THR 1 11 26.693 49.704 24.190 1.00 0.00 ATOM 1603 C THR 1 11 25.599 50.734 23.937 1.00 0.00 ATOM 1604 O THR 1 11 25.038 51.364 24.829 1.00 0.00 ATOM 1605 CB THR 1 11 26.793 49.340 25.665 1.00 0.00 ATOM 1606 OG1 THR 1 11 28.031 48.651 25.977 1.00 0.00 ATOM 1607 CG2 THR 1 11 25.566 48.494 26.025 1.00 0.00 ATOM 1608 H THR 1 11 28.360 50.968 23.714 1.00 0.00 ATOM 1609 HG1 THR 1 11 28.083 47.958 25.314 1.00 0.00 5g SUBSTITUTE SHEET (RULE 26) ATOM 1610 N ILE 1 12 25.241 50.640 22.645 1.00 0.00 ATOM 1611 CA ILE 1 12 34.187 51.750 11.164 1.00 0.00 ATOM 1612 C ILE 1 12 22.235 51,998 23.044 1.00 0.00 ATOM 1613 O ILE 1 12 22.279 53.039 2.3.0111.00 0.00 ATOM 1614 CB ILE 1 12 23.924 51.28-320.748 i.00 0.00 ATOM 1615 CG1 ILE 1 12 22.875 52.249 20.042 1.00 0.00 ATOM 1616 CG2-ILE 1 12 23.270 49.851 20.802 1.00 0.00 ATOM 1617 CD1 ILE 1 12 22.271 51.637 18.787 1.00 0.00 ATOM 1618 H ILE 1 12 25.862 50.401 22.001 1.00 0.00 ATOM 1619 N LEU 1 13 22.644 50.991 23.889 1.00 0.00 ATOM 1620 CA LEU 1 13 21.737 51.155 25.035 1.00 0.00 ATOM 1621 C LEU 1 13 21.885 52.423 25.898 1.00 0.00 ATOM 1622 O LEU 1 13 20.979 52.830 26.631 1.00 0.00 ATOM 1623 CB LEU 1 13 21.860 49.895 25.900 1.00 0.00 ATOM 1624 CG LEU 1 13 20.779 49.677 26.963 1.00 0.00 ATOM 1625 CD1 LEU 1 13 19.418 49.351 26.347 1.00 0.00 ATOM 1626 CD2 LEU 1 13 21.205 48/620 27.982 1.00 0.00 ATOM 1627 H LEU 1 13 23.163 50.143 23.796 1.00 0.00 ATOM 1628 N GLU 1 14 23,071 53.038 25.818 1.00 0.00 ATOM 1629 CA GLU 1 14 23.379 54.247 26.581 1.00 0.00 ATOM 1630 C GLU 1 14 22.920 55.529 25.891 1.00 0.00 ATOM 1631 0 GLU 1 14 22.182 55.537 24.907 1.00 0.00 ATOM 1632 CB GLU 1 14 24.893 54.295 26.818 1.00 0.00 ATOM 1633 CG GLU 1 14 25.478 53.048 27.490 1.00 0.00 ATOM 1634 CD GLU 1 14 26.826 52.694 26.873 1.00 0.00 ATOM 1635 OE1 GLU 1 14 27.621 52.029 27.532 1.00 0.00 ATOM 1636 OE2 GLU 1 14 27.084 53.050 25.723 1.00 0.00 ATOM 1637 H GLU 1 14 23.745 52.673 25.183 1.00 0.00 ATOM 1638 N SER 1 15 23.429 56/635 26.429 1.00 0.00 ATOM 1639 CA SER 1 15 23.322 57.982 25.688 1.00 0.00 ATOM 1640 C SER 1 15 24.619 58.623 25.922 1.00 0.00 ATOM 1641 O SER 1 15 25.236 58.447 26.974 1.00 0.00 ATOM 1642 CB SER 1 15 23.106 58.664 26.175 1.00 0.00 ATOM 1643 OG SER 1 15 20.982 57.777 26.322 1.00 0.00 ATOM 1644 H SER 1 15 24.032 56.624 27.230 1.00 0.00 ATOM 1645 HG SER 1 15 21.014 57.190 25.566 1.00 0.00 ATOM 1646 N PRO 1 16 25.077 59.453 24.950 1.00 0.00 ATOM 1647 CA PRO 1 16 24.267 59.970 23.837 1.00 0.00 ATOM 1648 C PRO 1 16 24.185 59.219 22.518 1.00 0.00 ATOM 1649 O PRO 1 16 23.929 59.885 21.515 1.00 0.00 ATOM 1650 CB PRO 1 16 24.904 61.344 23.610 1.00 0.00 ATOM 1651 CG PRO 1 16 26.383 61.125 23.849 1.00 0.00 ATOM 1652 CD PRO 1 16 26.365 60.134 25.051 1.00 0.00 ATOM 1653 N TYR 1 17 24.397 57.898 22.466 1.00 0.00 ATOM 1654 CA TYR 1 17 24.621 57.373 21.108 1.00 0.00 ATOM 1655 C TYR 1 17 23.441 56.977 20.212 1.00 0.00 ATOM 1656 O TYR 1 17 23.176 55.836 19.816 1.00 0.00 ATOM 1657 CB TYR 1 17 25.821 56.419 21.125 1.00 0.00 ATOM 1658 CG TYR 1 17 27.001 57.257 21.573 1.00 0.00 ATOM 1659 CD1 TYR 1 17 27.470 58.286 20.727 1.00 0.00 ATOM 1660 CD2 TYR 1 17 27.557 57.041 22.850 1.00 0.00 ATOM 1661 CE1 TYR 1 17 28.413 59.203 21.216 1.00 0.00 ATOM 1662 CE2 TYR 1 17 28.494 57.964 23.343 1.00 0.00 ATOM 1663 CZ TYR 1 17 28.859 59.070 22.545 1.00 0.00 ATOM 1664 OH TYR 1 17 29.631 60.075 23.106 1.00 0.00 ATOM 1665 H TYR 1 17 24.543 57.337 23.280 1.00 0.00 ATOM 1666 HH TYR 1 17 30.011 60.589 22.388 1.00 0.00 ATOM 1667 N VAL 1 18 22.736 58.066 19.862 1.00 0.00 ATOM 1668 CA VAL 1 18 21.481 58.122 19.118 1.00 0.00 ATOM 1669 C VAL 1 18 20.510 56.982 19.373 1.00 0.00 ATOM 1670 O VAL 1 18 19.870 56.455 18.466 1.00 0.00 ATOM 1671 CB VAL 1 18 21.722 58.395 17.618 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1672 CGl VAL 1 18 20.470 58.900 16.886 1.00 0.00 ATOM 1673 CG2 VAL 1 18 22.818 59.442 17.448 1.00 0.00 ATOM 1674 H VAL 1 18 23.172 58.919 20.124 1.00 0.00 ATOM 1675 N MET 1 19 20.416 56.646 20.672 1.00 0.00 ATOM 1676 CA MET 1 19 19.411 55.729 21.218 1.00 0.00 ATOM 1677 C MET 1 19 19.359 54.357 20.571 1.00 0.00 ATOM 1678 O - MET 1 19 19.385 54.196 19.355 1.00 0.00 ATOM 1679 CB MET 1 19 18.003 56.342 21.267 1.00 0.00 ATOM 1680 CG MET 1 19 -19.919 57.710 21.953 1.00 0.00 ATOM 1681 SD MET 1 19 18.451 59.057 20.883 1.00 0.00 ATOM 1682 CE MET 1 19 18.605 60.345 22.130 1.00 0.00 ATOM 1683 H MET 1 19 21.226 56.864 21.212 1.00 0.00 ATOM 1684 N TYR 1 20 19.296 53.346 21.445 1.00 0.00 ATOM 1685 CA TYR 1 20 19.315 51.963 20.950 1.00 0.00 ATOM 1686 C TYR 1 20 18.288 51.589 19.886 1.00 0.00 ATOM 1687 O TYR 1 20 17.138 51.230 20.150 1.00 0.00 ATOM 1688 CB TYR 1 20 19.332 50.953 22.115 1.00 0.00 ATOM 1689 CG TYR 1 20 18.214 51.159 23.121 1.00 0.00 ATOM 1690 CD1 TYR 1 20 18.376 52.114 24.147 1.00 0.00 ATOM 1691 CD2 TYR 1 20 17.046 50.374 23.021 1.00 0.00 ATOM 1692 CE1 TYR 1 20 17.354 52.284 25.094 1.00 0.00 ATOM 1693 CE2 TYR 1 20 16.021 50.546 23.966 1.00 0.00 ATOM 1694 CZ TYR 1 20 16.191 51.495 24.993 1.00 0.00 ATOM 1695 OH TYR 1 20 15.188 51.659 25.933 1.00 0.00 ATOM 2696 H TYR 1 20 19.220 53.552 22.422 1.00 0.00 ATOM 1697 HH TYR 1 20 15.558 52.069 26.713 1.00 0.00 ATOM 1698 N LYS 1 21 18.727 51.670 18.624 1.00 0.00 ATOM 1699 CA LYS 1 21 17.745 51.259 17.625 1.00 0.00 ATOM 1700 C LYS 1 21 17.992 49.942 16.934 1.00 0.00 ATOM 1701 O LYS 1 21 18.054 49.887 15.704 1.00 0.00 ATOM 1702 CB LYS 1 21 17.437 52.349 16.592 1.00 0.00 ATOM 1703 CG LYS 1 21 15.937 52.679 16.506 1.00 0.00 ATOM 1704 CD LYS ~ 1 21 14.952 51.545 16.153 1.00 0.00 ATOM 1705 CE LY5 1 21 14.897 51.094 14.683 1.00 0.00 ATOM 1706 NZ LYS 1 21 15.716 49.900 14.443 1.00 0.00 ATOM 1707 H LYS 1 21 19.656 52.013 18.458 1.00 0.00 ATOM 1708 1HZ LYS 1 21 15.348 49.074 14.964 1.00 0.00 ATOM 1709 2HZ LYS 1 21 15.676 49.651 13.434 1.00 0.00 ATOM 1710 3HZ LYS 1 21 16.712 50.016 14.713 1.00 0.00 ATOM 1711 N LYS 1 22 18.041 48.882 17.756 1.00 0.00 ATOM 1712 CA LYS 1 22 18.132 47.532 17.195 1.00 0.00 ATOM 1713 C LYS 1 22 17.219 47.259 16.006 1.00 0.00 ATOM 1714 O LYS 1 22 16.132 47.823 15.857 1.00 0.00 ATOM 1715 CB LYS 1 22 17.979 46.475 18.295 1.00 0.00 ATOM 1716 CG LYS 1 22 19.071 46.479 19.381 1.00 0.00 ATOM 1717 CD LYS 1 22 20.492. 46.228 18.857 1.00 0.00 ATOM 1718 CE LYS 1 22 21.309 47.508 18.649 1.00 0.00 ATOM 1719 NZ LYS 1 22 22.256 47.317 17.552 1.00 0.00 ATOM 1720 H LYS 1 22 18.006 49.036 18.743 1.00 0.00 ATOM 1721 1HZ LYS 1 22 21.759 46.903 16.740 1.00 0.00 ATOM 1722 2HZ LYS 1 22 22.627 48.226 17.222 1.00 0.00 ATOM 1723 3HZ LYS 1 22 23.007 46.635 17.766 1.00 0.00 ATOM 1724 N ASN 1 23 17.786 46.448 15.112 1.00 0.00 ATOM 1725 CA ASH 1 23 17.265 46.271 13.758 1.00 0.00 ATOM 1726 C ASN 1 23 17.549 44.849 13.326 1.00 0.00 ATOM 1727 O ASN 1 23 18.050 44.078 14.139 1.00 0.00 ATOM 1728 CB ASN 1 23 17.952 47.248 12.807 1.00 0.00 ATOM 1729 CG ASN 1 23 16.941 47.818 11.851 1.00 0.00 ATOM 1730 OD1 ASN 1 23 16.014 48.506 12.281 1.00 0.00 ATOM 1731 ND2 ASN 1 23 17.150 47.542 10.563 1.00 0.00 ATOM 1732 H ASN 1 23 18.639 46.946 15.301 1.00 0.00 ATOM 1733 1HD2 ASN 1 23 16.536 47.864 9.846 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM1734 2HD2ASN 1 23 17.943 47.012 10.235 1.00 0.00 ATOM1735 N ASN 1 24 17.235 44.535 12.058 1.00 0.00 ATOM1736 CA ASN 1 24 17.395 43.143 11.634 1.00_ 0.00 ATOM2737 C ASN 1 24 17.212 42.912 10.147 1.00 0.00 ATOM1738 0 ASN 1 24 16.276 42.251 9.709 1.00 0.00 ATOM1739 CB ASN 1 24 16.454 42.213 12.405 1.00 0.00 -ATOM1740 CG ASN 1 24 17.134 40.878 12.591 1.00 0.00 ATOM1741 OD1 ASN 1 24 16.721 39.864 12.041 1.00 0.00 ATOM1742 ND2 ASH 1 24 18.176 40.914 13.430 1.00 0.00 ATOM1743 H ASN 1 24 16.913 45.204 11.392 1.00 0.00 ATOM1744 1HD2ASN 1 24 18.661 40.058 13.588 1.00 0.00 ATOM1745 2HD2ASN 1 24 18.410 41.784 13.866 1.00 0.00 ATOM1746 N GLU 1 25 18.139 43.499 9.374 1.00 0.00 ATOM1747 CA GLU 1 25 18.167 43.086 7.976 1.00 0.00 ATOM1748 C GLU 1 25 19.137 41.926 7.840 1.00 0.00 ATOM1749 0 GLU 1 25 20.062 41.814 8.643 1.00 0.00 ATOM1750 CB GLU 1 25 18.498 44.286 7.071 1.00 0.00 ATOM1751 CG GLU 1 25 19.914 44.890 7.119 1.00 0.00 ATOM1752 CD GLU 1 25 20.307 45.419 8.491 1.00 0.00 ATOM1753 OEl GLU 1 25 19.564 46.177 9.109 1.00 0.00 ATOM1754 OE2 GLU 1 25 21.384 45.076 8.951 1.00 0.00 ATOM1755 H GLU 1 25 18.875 44.054 9.732 1.00 0.00 ATOM1756 N GLN 1 26 18.889 41.056 6.847 1.00 0.00 ATOM1757 CA GLN 1 26 19.531 39.732 6.876 1.00 0.00 ATOM1758 C GLN 1 26 20.990 39.626 6.429 1.00 0.00 ATOM1759 O GLN 1 26 21.390 36.658 5.778 1.00 0.00 ATOM1760 CB GLN 1 26 18.678 38.708 6.110 1.00 0.00 ATOM1761 CG GLN 1 26 17.339 38.316 6.753 1.00 0.00 ATOM1762 CD GLN 1 26 16.354 39.469 6.735 1.00 0.00 ATOM1763 OE1 GLN 1 26 15.833 39.880 5.703 1.00 0.00 ATOM1764 NE2 GIN 1 26 16.130 39.992 7.938 1.00 0.00 ATOM1765 H GLN 1 26 18.174 41.239 6.166 1.00 0.00 ATOM1766 1HE2GLN 1 26 15.545 40.858 8.058 1.00 0.00 ATOM1767 2HE2GLN 1 26 16.516 39.503 8.773 1.00 0.00 ATOM1768 N LEU 1 27 21.758 40.668 6.807 1.00 0.00 ATOM1769 CA LEU 1 27 23.168 40.720 6.433 1.00 0.00 ATOM1770 C LEU 1 27 23.968 41.690 7.297 1.00 0.00 ATOM1771 O LEU 1 27 24.972 42.250 6.873 1.00 0.00 ATOM1772 CB LEU 1 27 23.305 41.074 4.943 1.00 0.00 ATOM1773 CG LEU 1 27 24.609 40.598 4.290 1.00 0.00 ATOM1774 CD1 LEU 1 27 24.776 39.079 4.375 1.00 0.00 ATOM1775 CD2 LEU 1 27 24.736 41.109 2.854 1.00 0.00 ATOM1776 H LEU 1 27 21.320 41.404 7.315 1.00 0.00 ATOM1777 N GLU 1 28 23.459 41.914 8.527 1.00 0.00 ATOM1778 CA GLU 1 28 24.060 42.782 9.563 1.00 0.00 ATOM1779 C GLU 1 28 24.309'44.273 9.326 1.00 0.00 ATOM1780 O GLU 1 28 24.505 45.044 10.264 1.00 0.00 ATOM1781 CB GLU 1 28 25.308 42.151 10.214 1.00 0.00 ATOM1782 CG GLU 1 28 26.698 42.480 9.617 1.00 0.00 ATOM1783 CD GLU 1 28 27.790 41.758 10.395 1.00 0.00 ATOM1784 OE1 GLU 1 28 27.508 40.723 10.973 1.00 0.00 ATOM1785 OE2 GLU 1 28 28.935 42.207 10.450 1.00 0.00 ATOM1786 H GLU 1 28 22.645 41.390 8.783 1.00 0.00 ATOM1787 N GLY 1 29 24.348 44.650 8.038 1.00 0.00 ATOM1788 CA GLY 1 29 24.998 45.904 7.666 1.00 0.00 ATOM1789 C GLY 1 29 24.547 47.150 8.405 1.00 0.00 M 1790 O GLY 1 29 25.358 47.972 8.842 1.00 0.00 ATO GLY 1 29 153 43.954 7.355 1.00 0.00 ATOM1791 H 30 . 263 8.472 1.00 0.00 ATOM1792 N ASN 1 . .

ATOM1793 CA ASN 1 30 22.612 48.501 8.965 1.00 0.00 1794 C ASN 1 30 22.217 48.513 10.413 1.00 0.00 ATOM 30 389 532 11.082 1.00 0.00 ATOM1795 O ASN 1 . .

~1 SUBSTITUTE SHEET (RULE 26) ATOM1796 CB ASN 1 30 21.422 48.940 8.120 1.00 0.00 ATOM1797 CG ASN 1 30 21.971 49.646 6.912 1.00 0.00 ATOM1798 ODl ASN 1 30 22.845 50:501 7.008 1.00 0.00 ATOM1799 ND2 ASN 1 30 21.484 49.202 5-.763 1.00 0.00 ATOM1800 H ASN 1 30 22.675 46.431 8.312 1.00 0.00 ATOM1801 1HD2ASN 1 30 21.820 49.588 4.905 1.00 0.00 ATOM1802 2I-m~ASN 1 30 20.779 48.494 5.712 1.00 0.00 ATOM1803 N GLU 1 31 21.711 47.348 10.868 1.00 0.00 ATOM1804 CA GLU 1 31 _ 47.068 12.262 1.00 0.00 21.351 ATOM1805 C GLU 1 31 21.898 48.089 13.237 1.00 0.00 ATOM1806 O GLU 1 31 23.100 48.202 13.412 1.00 0.00 ATOM1807 CB GLU 1 31 21.817 45.651 12.620 1.00 0.00 ATOM1808 CG GLU 1 31 21.110 44.977 13.804 1.00 0.00 ATOM1809 CD GLU 1 31 21.335 45.730 15.099 1.00 0.00 ATOM1810 OE1 GLU 1 31 22.269 45.422 15.820 1.00 0.00 ATOM1811 OE2 GLU 1 31 20.593 46.652 15.418 1.00 0.00 ATOM1812 H GLU 1 31 21.520 46.627 10.201 1.00 0.00 ATOM1813 N ARG 1 32 21.017 48.924 13.805 1.00 0.00 ATOM1814 CA ARG 1 32 21.534 50.184 14.222 1.00 0.00 ATOM1815 C ARG 1 32 22.729 50.149 15.274 1.00 0.00 ATOM1816 O ARG 1 32 22.607 49.779 16.436 1.00 0.00 ATOM1817 CB ARG 1 32 20.634 51.305 14.473 1.00 0.00 ATOM1818 CG ARG 1 32 20.856 52.397 13.422 1.00 0.00 ATOM1819 CD ARG 1 32 20.843 53.815 13.995 1.00 0.00 ATOM1820 NE ARG 1 32 21.877 53.966 15.017 1.00 0.00 ATOM1821 CZ ARG 1 32 21.557 54.361 16.270 1.00 0.00 ATOM1822 NHl ARG 1 32 22.511 54.352 17.188 1.00 0.00 ATOM1823 NH2 ARG 1 32 20.314 54.719 16.578 1.00 0.00 ATOM1824 H ARG 1 32 20.112 48.610 14.084 1.00 0.00 ATOM1825 HE ARG 1 32 22.829 53.699 14.846 1.00 0.00 ATOM1826 1HF1ARG 1 32 23.435 54.026 16.968 1.00 0.00 ATOM1827 2HH1ARG 1 32 22.330 54.6'1518.133 1.00 0.00 ATOM1828 1HH2ARG 1 32 20.085 54.891 17.541 1.00 0.00 ATOM1829 2HH2ARG 1 32 19.607 54.849 15.989 1.00 0.00 ATOM1830 N TYR 1 33 23.699 50.538 14.784 1.00 0.00 ATOM1831 CA TYR 1 33 25.025 50.585 15.715 1.00 0.00 ATOM1832 C TYR 1 33 25.194 52.007 16.204 1.00 0.00 ATOM1833 O TYR 1 33 24.355 52.825 15.804 1.00 0.00 ATOM1834 CB TYR 1 33 26.228 49.919 15.047 1.00 0.00 ATOM1835 CG TYR 1 33 25.888 48.462 14.763 1.00 0.00 ATOM1836 CD1 TYR 1 33 25.902 47.980 13.434 1.00 0.00 ATOM1837 CD2 TYR 1 33 25.568 47.615 15.845 1.00 0.00 ATOM1838 CE1 TYR 1 33 25.641 46.613 13.192 1.00 0.00 ATOM1839 CE2 TYR 1 33 25.314 46.255 15.504 1.00 0.00 ATOM1840 CZ TYR 1 33 25.387 45.757 14.287 1.00 0.00 ATOM1841 OH TYR 1 33 25.239' 44.392 14.090 1.00 0.00 ATOM1842 H TYR 1 33 23.974 50.778 13.814 1.00 0.00 ATOM1843 HH TYR 1 33 25.245 44.015 14.970 1.00 0.00 ATOM1844 N GLU 1 34 26.194 52.266 17.080 1.00 0.00 ATOM1845 CA GLU 1 34 26.183 53.569 17.764 1.00 0.00 ATOM1846 C GLU 1 34 26.105 54.817 16.890 1.00 0.00 ATOM1847 O GLU 1 34 26.239 54.806 15.665 1.00 0.00 ATOM1848 CB GLU 1 34 27.215 53.643 18.919 1.00 0.00 ATOM1849 CG GLU 1 34 28.684 54.047 18.684 1.00 0.00 ATOM1850 CD GLU 1 34 28.956 55.514 19.011 1.00 0.00 ATOM1851 OE1 GLU 1 34 28.301 56.386 18.474 1.00 0.00 ATOM1852 OE2 GLU 1 34 29.849 55.831 19.790 1.00 0.00 ATOM1853 H GLU 1 34 26.823 51.551 17.373 1.00 0.00 ATOM1854 N GLY 1 35 25.729 55.900 17.584 1.00 0.00 ATOM1855 CA GLY 1 35 25.444 57.105 16.825 1.00 0.00 ATOM1856 C GLY 1 35 26.703 57.810 16.386 1.00 0.00 ATOM1857 O GLY 1 35 27.285 57.509 15.343 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1858 H GLY 1 35 26.095 55.942 18.517 1.00 0.00 ATOM 1859 N TYR 1 36 27.090 58.770 17.226 1.00 0.00 ATOM 1860 CA TYR 1 36 28.194 59:639 16.834 1.00 0.00 ATOM 1861 C TYR 1 36 29.509 58.939 16.496 1.00 0.00 ATOM 1862 O TYR 1 36 30.058 59.071 15.413 1.00 0.00 ATOM 1863 CB-_ TYR 1 36 28.366 60.742 17.891 1.00 0.00 ATOM 1864 CG TYR 1 36 29.555 61.623 17.582 1.00 0.00 ATOM 1865 CD1 TYR 1 36 _30.35362.051 18.658 1.00 0.00 ATOM 1866 CD2 TYR 1 36 29.858 61.955 16.243 1.00 0.00 ATOM 1867 CE1 TYR 1 36 31.525 62.764 18.378 1.00 0.00 ATOM 1868 CE2 TYR 1 36 31.046 62.630 15.963 1.00 0.00 ATOM 1869 CZ TYR 1 36 31.866 63.014 17.035 1.00 0.00 ATOM 1870 OH TYR 1 36 33.045 63.668 16.753 1.00 0.00 ATOM 1871 H TYR 1 36 26.758 58.690 18.164 1.00 0.00 ATOM 1872 HH TYR 1 36 33.412 63.310 15.941 1.00 0.00 ATOM 1873 N CYS 1 37 30.018 58.198 17.474 1.00 0.00 ATOM 1874 CA CYS 1 37 31.238 57.457 17.157 1.00 0.00 ATOM 1875 C CYS 1 37 31.062 56.100 16.484 1.00 0.00 ATOM 1876 O CYS 1 37 31.981 55.294 16.349 1.00 0.00 ATOM 1877 CB CYS 1 37 32.156 57.390 18.373 1.00 0.00 ATOM 1878 SG CYS 1 37 32.395 59.035 19.101 1.00 0.00 ATOM 1879 H CYS 1 37 29.514 58.042 18.328 1.00 0.00 ATOM 1880 N VAL 1 38 29.846 55.866 15.969 1.00 0.00 ATOM 1881 CA VAL 1 38 29.923 54.999 14.798 1.00 0.00 ATOM 1882 C VAL 1 38 30.145 55.768 13.514 1.00 0.00 ATOM 1883 O VAL 1 38 30.839 55.302 12.620 1.00 0.00 ATOM 1884 CB VAL 1 38 28.803 53.949 14.723 1.00 0.00 ATOM 1885 CG1 VAL 1 38 28.244 53.637 13.328 1.00 0.00 ATOM 1886 CG2 VAL 1 38 29.294 52.682 15.417 1.00 0.00 ATOM 1887 H VAL 1 38 29.033 56.367 16.253 1.00 0.00 ATOM 1888 N ASP 1 39 29.622 57.002 13.458 1.00 0.00 ATOM 1889 CA ASP 1 39 29.863 57.865 12.288 1.00 0.00 ATOM 1890 C ASP 1 39 31.322 58.314 12.168 1.00 0.00 ATOM 1891 O ASP 1 39 31.989 58.296 11.129 1.00 0.00 ATOM 1892 CB ASP 1 39 28.802 58.936 12.308 1.00 0.00 ATOM 1893 CG ASP 1 39 29.307 60.403 12.000 1.00 0.00 ATOM 1894 OD1 ASP 1 39 28.990 60.956 10.958 1.00 0.00 ATOM 1895 OD2 ASP 1 39 29.999 60.989 12.818 1.00 0.00 ATOM 1896 H ASP 1 39 29.100 57.372 14.226 1.00 0.00 ATOM 1897 N LEU 1 40 31.857 58.672 13.353 1.00 0.00 ATOM 1898 CA LEU 1 40 33.304 58.811 13.510 1.00 0.00 ATOM 1899 C LEU 1 40 34.024 57.573 13.012 1.00 0.00 ATOM 1900 0 LEU 1 40 34.779 57.643 12.044 1.00 0.00 ATOM 1901 CB LEU 1 40 33.673 59.157 14.958 1.00 0.00 ATOM 1902 CG LEU 1 40 35.175 59.350 15.204 1.00 0.00 ATOM 1903 CD1 LEU 1 40 35.773 60.492 14.381 1.00 0.00 ATOM 1904 CD2 LEU 1 40 35.490 59.492 16.692 1.00 0.00 ATOM 1905 H LEU 1 40 31.190 58.816 14.080 1.00 0.00 ATOM 1906 N ALA 1 41 33.673 56.444 13.648 1.00 0.00 ATOM 1907 CA ALA 1 41 34.130 55.160 13.129 1.00 0.00 ATOM 1908 C ALA 1 41 33.970 54.920 11.638 1.00 0.00 ATOM 1909 O ALA 1 41 34.778 54.197 11.075 1.00 0.00 ATOM 1910 CB ALA 1 41 33.475 53.993 13.860 1.00 0.00 ATOM 1911 H ALA 1 41 33.128 56.510 14.487 1.00 0.00 ATOM 1912 N VAL 1 42 32.964 55.541 11.000 1.00 0.00 ATOM 1913 CA VAL 1 42 32.879 55.340 9.550 1.00 0.00 ATOM 1914 C VAL 1 42 34.136 55.808 8.832 1.00 0.00 ATOM 1915 O VAL 1 42 34.684 55.126 7.966 1.00 0.00 ATOM 1916 CB VAL 1 42 31.605 55.965 8.947 1.00 0.00 ATOM 1917 CG1 VAL 1 42 31.567 55.904 7.415 1.00 0.00 ATOM 1918 CG2 VAL 1 42 30.361 55.286 9.520 1.00 0.00 ATOM 1919 H VAL 1 42 32.370 56.179 11.493 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1920 N GLU 1 43 34.629 56.974 9.260 1.00 0.00 ATOM 1921 CA GLU 1 43 35.939 57.298 8.714 1.00 0.00 ATOM 1922 C GLU 1 43 37.165 56.694 9.389 1.00 0.00 -ATOM 1923 O GLU 1 43 38.229 56.677 8.792 1.00 0.00 ATOM 1924 CB GLU 1 43 36.102 58.796 8.412 1.00 0.00 ATOM 1925 CG- GLU 1 43 35.403 59.272 7.115 1.00 0.00 ATOM 1926 CD GLU 1 43 36.041 58.739 5.824 1.00 0.00 ATOM 1927 OE1 GLU 1 43 36.893 57.861 5.864 1.00 0.00 ATOM 1928 OE2 GLU 1 43 35.692 59.180 4.729 1.00 0.00 ATOM 1929 H GLU 1 43 34.088 57.569 9.856 1.00 0.00 ATOM 1930 N ILE 1 44 37.042 56.147 10.603 1.00 0.00 ATOM 1931 CA ILE 1 44 38.247 55.435 11.069 1.00 0.00 ATOM 1932 C ILE 1 44 38.433 54.102 10.332 1.00 0.00 ATOM 1933 O ILE 1 44 39.487 53.733 9.799 1.00 0.00 ATOM 1934 CB ILE 1 44 38.284 55.291 12.598 1.00 0.00 ATOM 1935 CG1 ILE 1 44 37.781 56.572 13.270 1.00 0.00 ATOM 1936 CG2 ILE 1 44 39.721 55.007 13.049 1.00 0.00 ATOM 1937 CD1 ILE 1 44 37.685 56.440 14.789 1.00 0.00 ATOM 1938 H ILE 1 44 36.177 56.236 11.100 1.00 0.00 ATOM 1939 N ALA 1 45 37.264 53.481 10.164 1.00 0.00 ATOM 1940 CA ALA 1 45 37.118 52.429 9.168 1.00 0.00 ATOM 1941 C ALA 1 45 37.696 52.838 7.826 1.00 0.00 ATOM 1942 O ALA 1 45 38.604 52.198 7.304 1.00 0.00 ATOM 1943 CB ALA 1 45 35.649 52.038 8.993 1.00 0.00 ATOM 1944 H ALA 1 45 36.568 53.672 10.352 1.00 0.00 ATOM 1945 N LYS 1 46 37.179 53.954 7.307 1.00 0.00 ATOM 1946 CA LYS 1 46 37.516 54.307 5.928 1.00 0.00 ATOM 1947 C LYS 1 46 38.627 55.335 5.672 1.00 0.00 ATOM 1948 O LYS 1 46 38.754 55.906 4.579 1.00 0.00 ATOM 1949 CB LYS 1 46 36.227 54.658 5.184 1.00 0.00 ATOM 1950 CG LYS 1 46 36.207 54.291 3.696 1.00 0.00 ATOM 1951 CD LYS 1 46 36.261 55.197 2.901 1.00 0.00 ATOM 1952 CE LYS 1 46 35.899 56.499 2.384 1.00 0.00 ATOM 1953 NZ LYS 1 46 36.640 57.192 3.437 1.00 0.00 ATOM 1954 H LYS 1 46 36.474 54.440 7.826 1.00 0.00 ATOM 1955 1HZ LYS 1 46 36.744 58.213 3.291 1.00 0.00 ATOM 1956 2HZ LYS 1 46 36.128 57.187 4.346 1.00 0.00 ATOM 1957 3HZ LYS 1 46 37.561 56.753 3.635 1.00 0.00 ATOM 1958 N MET 1 47 39.475 55.534 6.698 1.00 0.00 ATOM 1959 CA MET 1 47 40.732 56.229 6.410 1.00 0.00 ATOM 1960 C MET 1 47 41.779 55.208 6.009 1.00 0.00 ATOM 1961 O MET 1 47 42.510 55.330 5.027 1.00 0.00 ATOM 1962 CB MET 1 47 41.193 57.061 7.611 1.00 0.00 ATOM 1963 CG MET 1 47 42.325 58.040 7.284 1.00 0.00 ATOM 1964 SD MET 1 47 42.856 58.984 8.721 1.00 0.00 ATOM 1965 CE MET 1 47 43.993 60.110 7.898 1.00 0.00 ATOM 1966 H MET 1 47 39.207 55.338 7.642 1.00 0.00 ATOM 1967 N VAL 1 48 41.724 54.125 6.808 1.00 0.00 ATOM 1968 CA VAL 1 48 42.380 52.861 6.469 1.00 0.00 ATOM 1969 C VAL 1 48 41.741 52.170 5.264 1.00 0.00 ATOM 1970 O VAL 1 48 42.405 51.585 4.417 1.00 0.00 ATOM 1971 CB VAL 1 48 42.368 51.937 7.702 1.00 0.00 ATOM 1972 CG1 VAL 1 48 43.102 50.614 7.458 1.00 0.00 ATOM 1973 CG2 VAL 1 48 42.920 52.657 8.936 1.00 0.00 ATOM 1974 H VAL 1 48 41.192 54.228 7.652 1.00 0.00 ATOM 1975 N ARG 1 49 40.401 52.285 5.226 1.00 0.00 ATOM 1976 CA ARG 1 49 39.515 51.624 4.250 1.00 0.00 ATOM 1977 C ARG 1 49 39.246 50.155 4.532 1.00 0.00 ATOM 1978 O ARG 1 49 39.057 49.314 3.658 1.00 0.00 ATOM 1979 CB ARG 1 49 39.860 51.820 2.762 1.00 0.00 ATOM 1980 CG ARG 1 49 39.836 53.257 2.229 1.00 0.00 ATOM 1981 CD ARG 1 49 41.190 53.961 2.324 1.00 0.00 SUBSTITUTE SHEET (RULE 2G) ATOM 1982 NE ARG 1 49 42.210 53.192 1.610 1.00 0.00 ATOM 1983 CZ ARG 1 49 43.511 53.272 1.955 1.00 0.00 ATOM 1984 NH1 ARG 1 49 44.408 52..5901.248 1.00 0.00 ATOM 1985 NH2 ARG 1 49 43.897 54.033 2.978 1.00 0.00 ATOM 1986 H ARG 1 49 40.006 52.729 6.031 1.00 0.00 ATOM 1987 HE_ ARG 1 49 41.909 52.589 0.870 1.00 0.00 ATOM 1988 1881ARG 1 49 45.385 52.656 1.440 1.00 0.00 ATOM 1989 2881ARG 1 49 44.104 51.984 0.513 1.00 0.00 ATOM 1990 1882ARG 1 49 44.856 54.196 3.201 1.00 0.00 ATOM 1991 2882ARG 1 49 43.205 54.453 3.578 1.00 0.00 ATOM 1992 N ILE 1 50 39.206 49.881 5.835 1.00 0.00 ATOM 1993 CA ILE 1 50 38.465 48.676 6.201 1.00 0.00 ATOM 1994 C ILE 1 50 37.031 49.128 6.464 1.00 0.00 ATOM 1995 O ILE 1 50 36.792 50.325 6.603 1.00 0.00 ATOM 1996 CB ILE 1 50 39.156 48.013 7.414 1.00 0.00 ATOM 1997 CG1 ILE 1 50 38.600 46.529 7.775 1.00 0.00 ATOM 1998 CG2 ILE 1 50 39.154 48.952 8.629 1.00 0.00 ATOM 1999 CD1 ILE 1 50 39.392 45.929 8.882 1.00 0.00 ATOM 2000 H ILE 1 50 39.353 50.605 6.508 1.00 0.00 ATOM 2001 N LYS 1 51 36.079 48.194 6.530 1.00 0.00 ATOM 2002 CA LYS 1 51 34.892 48.605 7.265 1.00 0.00 ATOM 2003 C LYS 1 51 34.707 47.725 8.477 1.00 0.00 ATOM 2004 O LYS 1 51 34.801 46.495 8.429 1.00 0.00 ATOM 2005 CB LYS 1 Sl 33.639 48.722 6.381 1.00 0.00 ATOM 2006 CG LYS 1 51 32.586 49.643 7.022 1.00 0.00 ATOM 2007 CD LYS 1 51 31.441 50.067 6.093 1.00 0.00 ATOM 2008 CE LY5 1 51 30.449 51.017 6.782 1.00 0.00 ATOM 2009 NZ LYS 1 51 29.443 51.501 5.821 1.00 0.00 ATOM 2010 H LYS 1 51 36.198 47.246 6.242 1.00 0.00 ATOM 2011 1HZ LYS 1 51 29.894 52.123 5.122 1.00 0.00 ATOM 2012 2HZ LYS 1 51 28.989 50.724 5.307 1.00 0.00 ATOM 2013 3HZ LYS 1 51 28.687 52.022 6.308 1.00 0.00 ATOM 2014 N TYR 1 52 34.526 48.431 9.597 1.00 0.00 ATOM 2015 CA TYR 1 52 34.487 47.731 10.875 1.00 0.00 ATOM 2016 C TYR 1 52 33.276 46.843 10.982 1.00 0.00 ATOM 2017 O TYR 1 52 32.355 46.909 10.166 1.00 0.00 ATOM 2018 CB TYR 1 52 34.473 48.721 12.040 1.00 0.00 ATOM 2019 CG TYR 1 52 35.713 49.584 12.113 1.00 0.00 ATOM 2020 CD1 TYR 1 52 35.554 50.920 12.529 1.00 0.00 ATOM 2021 CD2 TYR 1 52 36.981 49.047 11.807 1.00 0.00 ATOM 2022 CE1 TYR 1 52 36.686 51.728 12.701 1.00 0.00 ATOM 2023 CE2 TYR 1 52 38.112 49.866 11.940 1.00 0.00 ATOM 2024 CZ TYR 1 52 37.946 51.190 12.389 1.00 0.00 ATOM 2025 OH TYR 1 52 39.072 51.978 12.502 1.00 0.00 ATOM 2026 H TYR 1 52 34.414 49.426 9.592 1.00 0.00 ATOM 2027 HH TYR 1 52 38.902 62.637 13.179 1.00 0.00 ATOM 2028 N LYS 1 53 33.292 45.988 12.103 1.00 0.00 ATOM 2029 CA LYS 1 53 32.001 45.475 12.449 1.00 0.00 ATOM 2030 C LYS 1 53 31.554 46.385 13.569 1.00 0.00 ATOM 2031 O LYS 1 53 31.864 46.178 14.736 1.00 0.00 ATOM 2032 CB LYS 1 53 32.095 44.015 12.907 1.00 0.00 ATOM 2033 CG LYS 1 53 30.736 43.331 13.115 1.00 0.00 ATOM 2034 CD LYS 1 53 30.842 42.007 13.884 1.00 0.00 ATOM 2035 CE LYS 1 53 29.518 41.239 14.029 1.00 0.00 ATOM 2036 NZ LYS 1 53 29.193 40.557 12.770 1.00 0.00 ATOM 2037 H LYS 1 53 34.047 45.978 12.670 1.00 0.00 ATOM 2038 1HZ LYS 1 53 29.093 41.231 11.977 1.00 0.00 ATOM 2039 2HZ LYS 1 53 29.871 39.827 12.494 1.00 0.00 ATOM 2040 3HZ LYS 1 53 28.245 40.125 12.772 1.00 0.00 ATOM 2041 N LEU 1 54 30.878 47.455 13.134 1.00 0.00 ATOM 2042 CA LEU 1 54 30.228 48.286 14.140 1.00 0.00 ~

ATOM 2043 C LEU 1 54 29.186 47.391 14.779 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2044 O LEU 1 54 28.393 46.816 14.033 1.00 0.00 ATOM 2045 CB LEU 1 54 29.548 49.456 13.424 1.00 0.00 ATOM 2046 CG LEU 1 54 30.342 50.057 12.255 1.00_0.00 ATOM 2047 CD1 LEU 1 54 29.424 50.707 11.219 1.00 0.00 ATOM 2048 CD2 LEU 1 54 31.451 51:002 12.709 1.00 0.00 ATOM 2049 H LEU 1 54 30.575 47.461 12.186 1.00 0.00 ATOM 2050 _ SER 1 55 29.251 47.248 16.102 1.00 0.00 N
-ATOM 2051 CA SER 1 55 28.540 46.131 16.711 1.00 0.00 ATOM 2052 C SER 1 55 28.364 46.313 18.196 1.00 0.00 ATOM 2053 O SER 1 55 29.096 47.015 18.895 1.00 0.00 ATOM 2054 CB SER 1 55 29.233 44.784 16.435 1.00 0.00 ATOM 2055 OG SER 1 55 28.325 43.633 16.602 1.00 0.00 ATOM 2056 H SER 1 55 29.960 47.724 16.622 1.00 0.00 ATOM 2057 HG SER 1 55 28.560 43.291 17.457 1.00 0.00 ATOM 2058 N ILE 1 56 27.342 45.610 18.663 1.00 0.00 ATOM 2059 CA ILE 1 56 27.296 45.299 20.073 1.00 0.00 ATOM 2060 C ILE 1 56 27.607 43.811 20.153 1.00 0.00 ATOM 2061 O ILE 1 56 27.284 43.050 19.236 1.00 0.00 ATOM 2062 CB ILE 1 56 25.905 45.708 20.609 1.00 0.00 ATOM 2063 CG1 ILE 1 56 25.756 45.571 22.122 1.00 0.00 ATOM 2064 CG2 ILE 1 56 24.772 44.974 19.874 1.00 0.00 ATOM 2065 CD1 ILE 1 56 24.492 46.238 22.668 1.00 0.00 ATOM 2066 H ILE 1 56 26.750 45.100 18.038 1.00 0.00 ATOM 2067 N VAL 1 57 28.296 43.397 21.216 1.00 0.00 ATOM 2068 CA VAL 1 57 28.397 41.947 21.398 1.00 0.00 ATOM 2069 C VAL 1 57 27.314 41.502 22.274 1.00 0.00 ATOM 2070 O VAL 1 57 26.175 41.226 21.995 1.00 0.00 ATOM 2071 CH VAL 1 57 29.836 41.509 21.756 1.00 0.00 ATOM 2072 CG1 VAL 1 57 30.623 41.264 20.467 1.00 0.00 ATOM 2073 CG2 VAL 1 57 30.588 42.485 22.676 1.00 0.00 ATOM 2074 H VAL 1 57 28.537 44.072 21.920 1.00 0.00 ATOM 2075 N GLY 1 58 27.672 41.580 23.667 1.00 0.00 ATOM 2076 CA GLY 1 58 26.771 42.256 24.596 1.00 0.00 ATOM 2077 C GLY 1 58 27.313 42.651 24.867 1.00 0.00 ATOM 2078 O GLY 1 58 27.892 44.257 23.974 1.00 0.00 ATOM 2079 H GLY 1 58 28,633 41.462 23.908 1.00 0.00 ATOM 2080 N ASP 1 59 27.118 44.099 26.117 1.00 0.00 ATOM 2081 CA ASP 1 59 27.586 45.411 26.595 1.00 0.00 ATOM 2082 C ASP 1 59 29.115 45.537 26.531 1.00 0.00 ATOM 2083 O ASP 1 59 29.777 44.557 26.222 1.00 0.00 ATOM 2084 CB ASP 1 59 26.967 45.581 28.001 1.00 0.00 ATOM 2085 CG ASP 1 59 27.505 46.766 28.779 1.00 0.00 ATOM 2086 OD1 ASP 1 59 26.994 47.872 28.690 1.00 0.00 ATOM 2087 OD2 ASP 1 59 28.492 46.600 29.480 1.00 0.00 ATOM 2088 H ASP 1 59 26.735 43.438 26.752 1.00 0.00 ATOM 2089 N GLY 1 60 29.692 46.718 26.838 1.00 0.00 ATOM 2090 CA GLY 1 60 31.143 46.911 26.704 1.00 0.00 ATOM 2091 C GLY 1 60 31.910 46.976 28.022 1.00 0.00 ATOM 2092 O GLY 1 60 33.034 47.460 28.135 1.00 0.00 ATOM 2093 H GLY 1 60 29.076 47.437 27.153 1.00 0.00 ATOM 2094 N LYS 1 61 31.238 46.456 29.052 1.00 0.00 ATOM 2095 CA LYS 1 61 31.826 46.305 30.392 1.00 0.00 ATOM 2096 C LYS 1 61 31.514 44.929 30.954 1.00 0.00 ATOM 2097 O LYS 1 61 32.333 44.249 31.562 1.00 0.00 ATOM 2098 CB LYS 1 61 31.344 47.405 31.343 1.00 0.00 ATOM 2099 CG LYS 1 61 31.823 48.793 30.905 1.00 0.00 ATOM 2100 CD LYS 1 61 30.849 49.923 31.249 1.00 0.00 ATOM 2101 CE LYS 1 61 29.407 49.631 , 30.8131.00 0.00 ATOM 2102 NZ LYS 1 61 29.337 49.205 29.416 1.00 0.00 ATOM 2103 H LYS 1 61 30.272 46.270 28.900 1.00 0.00 ATOM 2104 1HZ LYS 1 61 30.233 48.774 29.139 1.00 0.00 ATOM 2105 2HZ LYS 1 61 28.590 48.483 29.335 1.00 0.00 SUBSTITUTE SHEET (RULE 26~

ATOM 2106 3HZ LYS 1 61 29.119 49.993 28.783 1.00 0.00 ATOM 2107 N TYR 1 62 30.286 44.482 30.615 1.00 0.00 ATOM 2108 CA TYR 1 62 30.141 43.031 30.501 1.00_0.00 ATOM 2109 C TYR 1 62 31.020 42.477 29.378 1.00 0.00 ATOM 2110 O TYR 1 62 31.826 41-.57029.556 1.00 0.00 ATOM 2111 CB TYR 1 62 28.643 42.644 30.381 1.00 0.00 _ ATOM 2112 CG TYR 1 62 28.438 41.432 39.492 1.00 0.00 ' ATOM 2113 CD1 TYR 1 62 27,965 41.655 28.186 1.00 0.00 ATOM 2114 CD2 TYR 1 62 28.788 40.141 29.946 1.00 0.00 ATOM 2115 CEl TYR 1 62 27.990 40.600 27.265 1.00 0.00 ATOM 2116 CE2 TYR 1 62 28.806 39.081 29.022 1.00 0.00 ATOM 2117 CZ TYR 1 62 28.463 39.343 27.679 1.00 0.00 ATOM 2118 OH TYR 1 62 28.625 38.359 26.722 1.00 0.00 ATOM 2119 H TYR 1 62 29.552 45.085 30.301 1.00 0.00 ATOM 2120 HH TYR 1 62 28.154 37.570 27.009 1.00 0.00 ATOM 2121 N GLY 1 63 30.851 43.057 28.188 1.00 0.00 ATOM 2122 CA GLY 1 63 31.674 42.548 27.089 1.00 0.00 ATOM 2123 C GLY 1 63 32.965 43.312 26.911 1.00 0.00 ATOM 2124 O GLY 1 63 33.559 43.350 25.836 1.00 0.00 ATOM 2125 H GLY 1 63 20.177 43.782 28.051 1.00 0.00 ATOM 2126 N ALA 1 64 33.409 43.868 28.062 1.00 0.00 ATOM 2127 CA ALA 1 64 34.805 44.289 28.103 1.00 0.00 ATOM 2128 C ALA 1 64 35.716 43.095 27.917 1.00 0.00 ATOM 2129 O ALA i 64 36.748 43.174 27.272 1.00 0.00 ATOM 2130 CB ALA 1 64 35.142 44.959 29.434 1.00 0.00 ATOM 2131 H ALA 1 64 32.920 43.717 28.916 1.00 0.00 ATOM 2132 N ARG 1 65 35.218 41.933 28.420 1.00 0.00 ATOM 2133 CA ARG 1 65 35.967 40.675 28.267 1.00 0.00 ATOM 2134 C ARG 1 65 36.173 40.123 26.845 1.00 0.00 ATOM 2135 O ARG 1 65 36.498 38.956 26.625 1.00 0.00 ATOM 2136 CH ARG 1 65 35.450 39.618 29.278 1.00 0.00 ATOM 2137 CG ARG 1 65 34.476 38.519 28.807 1.00 0.00 ATOM 2138 CD ARG 1 65 33.220 39.070 28.134 1.00 0.00 ATOM 2139 NE ARG 1 65 32.486 38.097 27.327 1.00 0.00 ATOM 2140 CZ ARG 1 65 32.827 37.913 26.025 1.00 0.00 ATOM 2141 NH1 ARG 1 65 31.908 37.560 25.143 1.00 0.00 ATOM 2142 NH2 ARG 1 65 34.057 38.120 25.572 1.00 0.00 ATOM 2143 H ARG 1 65 34.359 42.009 28.928 1.00 0.00 ATOM 2144 HE ARG 1 65 31.613 37.735 27.656 1.00 0.00 ATOM 2145 1HH1 ARG 1 65 32.170 37.531 24.178 1.00 0.00 ATOM 2146 2HH1 ARG 1 65 30.970 37.352 25.419 1.00 0.00 ATOM 2147 1HH2 ARG 1 65 34.207 38.219 24.578 1.00 0.00 ATOM 2148 2HH2 ARG 1 65 34.850 38.202 26.178 1.00 0.00 ATOM 2149 N ASP 1 66 35.896 40.978 25.853 1.00 0.00 ATOM 2150 CA ASP 1 66 36.121 40.556 24.472 1.00 0.00 ATOM 2151 C ASP 1 66 37.546_ 40.632 23.899 1.00 0.00 ATOM 2152 O ASP 1 66 38.069 39.600 23.474 1.00 0.00 ATOM 2153 CB ASP 1 66 35.018 41.132 23.566 1.00 0.00 ATOM 2154 CG ASP 1 66 34.022 40.038 23.253 1.00 0.00 ATOM 2155 OD1 ASP 1 66 32.994 40.080 23.719 1.00 0.00 ATOM 2156 OD2 ASP 1 66 34.397 39.109 22.558 1.00 0.00 ATOM 2157 H ASP 1 66 35.708 41.943 26.032 1.00 0.00 ATOM 2158 N PRO 1 67 38.197 41.829 23.900 1.00 0.00 ATOM 2159 CA PRO 1 67 39.592 41.943 23.431 1.00 0.00 ATOM 2160 C PRO 1 67 40.542 40.772 23.697 1.00 0.00 ATOM 2161 O PRO 1 67 41.195 40.190 22.821 1.00 0.00 ATOM 2162 CB PRO 1 67 40.039 43.191 24.185 1.00 0.00 ATOM 2163 CG PRO 1 67 38.815 44.096 24.270 1.00 0.00 ATOM 2164 CD PRO 1 67 37.663 43.116 24.342 1.00 0.00 ATOM 2165 N GLU 1 68 40.582 40.505 25.014 1.00 0.00 ATOM 2166 CA GLU 1 6B 41.552 39.535 25.674 1.00 0.00 ATOM 2167 C GLU 1 68 41.507 38.206 25.177 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2168 O GLU 1 68 42.484 37.464 25.113 1.00 0.00 ATOM 2169 CB GLU 1 68 41.334 39.636 27.200 1.00 0.00 ATOM 2170 CG GLU 1 68 40.996 40.976 27.886 1.0-00.00 ATOM 2171 CD GLU 1 68 39.489 41.159 28.050 1.00 0.00 ATOM 2172 OE1 GLU 1 68 38.980 41.005 29.158 1.00 0.00 ATOM 2173 OE2 GLU 1 68 38.802 41.457 27.078 1.00 0.00 ATOM 2174 _ GLU 1 68 39.884 40.900 25.604 1.00 0.00 H

ATOM 2175 N THR 1 69 40.284 37.824 24.803 1.00 0.00 ATOM 2176 CA THR 1 69 40.084 36.472 24.295 1.00 0.00 ATOM 2177 C THR 1 69 40.920 36.110 23.056 1.00 0.00 ATOM 2178 O THR 1 69 41.215 34.952 22.749 1.00 0.00 ATOM 2179 CB THR 1 69 38.564 36.229 24.163 1.00 0.00 ATOM 218D OG1 THR 1 69 38.197 34.952 24.692 1.00 0.00 ATOM 2181 CG2 THR 1 69 37.988 36.443 22.761 1.00 0.00 ATOM 2182 H THR 1 69 39.531 38.466 24.924 1.00 0.00 ATOM 2183 HG1 THR 1 69 37.248 34.948 24.706 1.00 0.00 ATOM 2184 N LYS 1 70 41.354 37.171 22.347 1.00 0.00 ATOM 2185 CA LYS 1 70 42.185 36.868 21.187 1.00 0.00 ATOM 2186 C LYS 1 70 43.665 36.656 21.455 1.00 0.00 ATOM 2187 O LYS 1 70 44.531 37.349 20.916 1.00 0.00 ATOM 2188 CB LYS 1 70 41.956 37.879 20.061 1.00 0.00 ATOM 2189 CG LYS 1 70 42.149 37.240 18.681 1.00 0.00 ATOM 2190 CD LYS 1 70 41.757 38.167 17.539 1.00 0.00 ATOM 2191 CE LYS 1 70 41.412 37.473 16.222 1.00 0.00 ATOM 2192 NZ LYS 1 70 40.366 38.264 15.549 1.00 0.00 ATOM 2193 H LYS 1 70 41.220 38.100 22.702 1.00 0.00 ATOM 2194 1HZ LYS 1 70 39.454 38.204 16.058 1.00 0.00 ATOM 2195 2HZ LYS 1 70 40.641 39.264 15.469 1.00 0.00 ATOM 2196 3HZ LYS 1 70 40.234 37.973 14.557 1.00 0.00 ATOM 2197 N ILE 1 71 43.929 35.626 22.269 1.00 0.00 ATOM 2198 CA ILE 1 71 45.257 35.047 22.119 1.00 0.00 ATOM 2199 C ILE 1 71 45.258 34.062 20.953 1.00 0.00 ATOM 2200 O ILE 1 71 46.208 33.939 20.181 1.00 0.00 ATOM 2201 CB ILE 1 71 45.762 34.455 23.451 1.00 0.00 ATOM 2202 CG1 ILE I 71 47.203 33.946 23.338 1.00 0.00 ATOM 2203 CG2 ILE 1 71 44.831 33.361 23.991 1.00 0.00 ATOM 2204 CDl ILE 1 71 47.789 33.493 24.677 1.00 0.00 ATOM 2205 H ILE 1 71 43.182 35.175 22.755 1.00 0.00 ATOM 2206 N TRP 1 72 44.108 33.384 20.829 1.00 0.00 ATOM 2207 CA TRP 1 72 43.848 32.812 19.516 1.00 0.00 ATOM 2208 C TRP 1 72 42.642 33.491 18.896 1.00 0.00 ATOM 2209 O TRP 1 72 42.777 34.298 17.976 1.00 0.00 ATOM 2210 CB TRP 1 72 43.833 31.267 19.530 1.00 0.00 ATOM 2211 CG TRP 1 72 42.984 30.636 20.619 1.00 0.00 ATOM 2212 CD1 TRP 1 72 43.310 30.473 21.973 1.00 0.00 ATOM 2213 CD2 TRP 1 72 41.685 30.027 20.471 1.00 0.00 ATOM 2214 NE1 TRP 1 72 42.322 29.222 22.653 1.00 0.00 ATOM 2215 CE2 TRP 1 72 41.300 29.527 21.759 1.00 0.00 ATOM 2216 CE3 TRP 1 72 40.826 39.859 19.364 1.00 0.00 ATOM 2217 CZ2 TRP 1 72 40.064 28.866 21.914 1.00 0.00 ATOM 2218 CZ3 TRP 1 72 39.593 29.196 19.533 1.00 0.00 ATOM 2219 CH2 TRP 1 72 39.216 28.701 20.800 1.00 0.00 ATOM 2220 H TRP 1 72 43.394 33.444 21.537 1.00 0.00 ATOM 2221 HE1 TRP 1 72 42.321 29.552 23.607 1.00 0.00 ATOM 2222 N ASN 1 73 41.499 33.209 19.528 1.00 0.00 ATOM 2223 CA ASN 1 73 40.222 33.910 19.366 1.00 0.00 ATOM 2224 C ASN 1 73 39.186 33.137 20.130 1.00 0.00 ATOM 2225 O ASN 1 73 38.426 32.343 19.588 1.00 0.00 ATOM 2226 CB ASN 1 73 39.741 34.167 17.923 1.00 0.00 ATOM 2227 CG ASN 1 73 40.039 33.060 16.927 1.00 0.00 ATOM 2228 OD1 ASN 1 73 40.930 33.198 ,16.0921.00 0.00 ATOM 2229 ND2 ASN 1 73 39.245 31.992 16.985 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2230 H ASN 1 73 41.534 32.510 20.237 1.00 0.00 ATOM 2231 1HD2ASN 1 73 39.388 31,186 16.408 1.00 0.00 ATOM 2232 2HD2ASN 1 73 38.497 31:978 17.653 1.00 0.00 ATOM 2233 N GLY 1 74 39.273 33.332 21.444 1.00 0.00 ATOM 2234 CA GLY 1 74 38.442 32.542 22.335 1.00 0.00 ATOM 2235 C GLY 1 74 39.062 32.366 23.705 1.00 0.00 -_ ATOM 2236 O GLY 1 74 39.390 32.343 24.727 1.00 0.00 ATOM 2237 H GLY 1 74 38.825 34.087 21.794 1.00 0.00 ATOM 2238 N MET 1 75 40.403 32.242 23.684 1.00 0.00 ATOM 2239 CA MET 1 75 41.184 32.010 24.902 1.00 0.00 ATOM 2240 C MET 1 75 40.800 30.739 25.649 1.00 0.00 ATOM 2241 0 MET 1 75 41.346 29.679 25.372 1.00 0.00 ATOM 2242 CB MET 1 75 41.227 33.277 25.775 1.00 0.00 ATOM 2243 CG MET 1 75 42.241 33.264 26.923 1.00 0.00 ATOM 2244 SD MET 1 75 42.287 34.841 27.793 1.00 0.00 ATOM 2245 CE MET 1 75 40.546 34.918 28.260 1.00 0.00 ATOM 2246 H MET 1 75 40.859 32.359 22.805 1.00 0.00 ATOM 2247 N VAL 1 76 39.855 30.896 26.580 1.00 0.00 ATOM 2248 CA VAL 1 76 39.390 29.729 27.311 1.00 0.00 ATOM 2249 C VAL 1 76 38.045 29.219 26.825 1.00 0.00 ATOM 2250 O VAL 1 76 37.466 28.322 27.428 1.00 0.00 ATOM 2251 CB VAL 1 76 39.357 30.020 28.818 1.00 0.00 ATOM 2252 CGl VAL 1 76 40.774 30.221 29.360 1.00 0.00 ATOM 2253 CG2 VAL 1 76 38.439 31.200 29.161 1.00 0.00 ATOM 2254 H VAL 1 76 39.329 31.746 26.631 1.00 0.00 ATOM 2255 N GLY 1 77 37.580 29.824 25.734 1.00 0.00 ATOM 2256 CA GLY 1 77 36.281 29.491 25.175 1.00 0.00 ATOM 2257 C GLY 1 77 36.395 29.339 23.675 1.00 0.00 ATOM 2258 O GLY 1 77 37.394 29.800 23.027 1.00 0.00 ATOM 2259 H GLY 1 77 38.093 30.550 25.288 1.00 0.00 ATOM 2260 N GLU 1 78 35.406 28.624 23.141 1.00 0.00 ATOM 2261 CA GLU 1 78 35.566 28.205 21.756 1.00 0.00 ~

ATOM 2262 C GLU 1 78 35.307 29.293 20.747 1.00 0.00 ATOM 2263 O GLU 1 78 34.448 30'.15920.896 1.00 0.00 ATOM 2264 CB GLU 1 78 34.716 26.982 21.378 1.00 0.00 ATOM 2265 CG GLU 1 78 34.756 25.791 22.342 1.00 0.00 ATOM 2266 CD GLU 1 78 33.970 26.144 23.585 1.00 0.00 ATOM 2267 OEl GLU 1 78 34.561 26.219 24.657 1.00 0.00 ATOM 2268 OE2 GLU 1 78 32.?77 26.396 23.472 1. 0.00 OD

ATOM 2269 H GLU 1 78 34.668 28.228 23.698 1.00 0.00 ATOM 2270 N LEU 1 79 36.118 29.150 19.686 1.00 O.DO

ATOM 2271 CA LEU 1 79 35.981 29.844 18.401 1.00 0.00 ATOM 2272 C LEU 1 79 35.178 31.129 18.369 1.00 0.00 ATOM 2273 O LEU 1 79 34.211 31.299 17.632 1.00 O.DO

ATOM 2274 CB LEU 1 79 35.475 28.869 17.334 1.00 0.00 ATOM 2275 CG LEU 1 79 36.444 27.717 17.057 1. 0.00 OD

ATOM 2276 CD1 LEU 1 79 35.802 20.639 16.184 1.00 0.00 ATOM 2277 CD2 LEU 1 79 37.769 28.211 16.47D 1.00 0.00 ATOM 2278 H LEU 1 79 36.350 28.484 19.804 1.00 0.00 ATOM 2279 N VAL 1 80 35.630 32.072 19.204 1.00 0.00 ATOM 2280 CA VAL 1 80 35.032 33.404 19.121 1.00 0.00 ATOM 2281 C VAL 1 80 35.583 34.087 17.922 1. 0.00 OD

ATOM 2282 O VAL 1 80 36.643 33.504 17.357 1.00 0.00 ATOM 2283 CB VAL 1 80 35.259 34.151 20.460 1.00 0.00 ATOM 2284 CG1 VAL 1 80 34.492 35.471 20.594 1.00 0.00 ATOM 2285 CG2 VAL 1 80 34.882 33.259 21.644 1.00 0.00 ATOM 2286 H VAL 1 80 36.450 31.889 19.750 1.00 0.00 ATOM 2287 N TYR 1 81 35.180 35.266 17.529 1.00 0.00 ATOM 2288 CA TYR 1 81 36.018 35.987 16.563 1. 0.00 ATOM 2289 C TYR 1 81 37.255 36.637 17.186 1.00 0.00 ATOM 2290 O TYR 1 81 38.301 36.815 15.563 1.00 0.00 ATOM 2291 CB TYR 1 81 35.197 37.016 15.768 1.00 0.00 SUBSTITUTE SHEET (RULE 26) WO 98/3$208 PCT/US98I03951 ATOM 2292 CG TYR 1 81 35.546 37.002 14.289 1.00 0.00 ATOM 2293 CD1 TYR 1 81 36.572 37.837 13.792 1.00 0.00 ATOM 2294 CD2 TYR 1 81 34.813 36:155 13.432 1.00 0.00 ATOM 2295 CEl TYR 1 81 36.856 37.834 12.412 1.00 0.00 ATOM 2296 CE2 TYR 1 81 35.096 36.153 12.054 1.00 0.00 ATOM 2297 CZ-_ TYR 1 81 36.113 36.993 11.553 1.00 0.00 ATOM 2298 OH TYR 1 81 36.389 36.981 10.191 1.00 0.00 ATOM 2299 H TYR 1 Bl .34.409 35.628 18.053 1.00 0.00 ATOM 2300 HH TYR 1 81 35.739 36.425 9.769 1.00 0.00 ATOM 2301 N GLY 1 82 37.077 37.034 18.467 1.00 0.00 ATOM 2302 CA GLY 1 82 38.061 37.767 19.272 1.00 0.00 ATOM 2303 C GLY 1 82 38.578 39.052 18.644 1.00 0.00 ATOM 2304 O GLY 1 82 38.626 39.162 17.425 1.00 0.00 ATOM 2305 H GLY 1 82 36.267 36.675 18.928 1.00 0.00 ATOM 2306 N ARG 1 83 39.015 39.989 19.504 1.00 0.00 ATOM 2307 CA ARG 1 83 39.344 41.334 18.995 1.00 0.00 ATOM 2308 C ARG 1 83 38.075 42.004 18.513 1.00 0.00 ATOM 2309 O ARG 1 83 37.854 42.288 17.333 1.00 0.00 ATOM 2310 CB ARG 1 83 40.424 41.330 17.888 1.00 0.00 ATOM 2311 CG ARG 1 83 41.021 42.634 17.362 1.00 0.00 ATOM 2312 CD ARG 1 83 42.250 43.053 18.153 1.00 0.00 ATOM 2313 NE ARG 1 83 41.876 43.367 19.522 1.00 0.00 ATOM 2314 CZ ARG 1 83 42.748 43.324 20.524 1.00 0.00 ATOM 2315 NH1 ARG 1 83 42.380 43.815 21.689 1.00 0.00 ATOM 2316 NH2 ARG 1 83 43.954 42.813 20.356 1.00 0.00 ATOM 2317 H ARG 1 83 38.898 39.842 20.492 1.00 0.00 ATOM 2318 HE ARG 1 83 40.980 43.792 19.690 1.00 0.00 ATOM 2319 lHFi1 ARG 1 83 42.993 43.898 22.480 1.00 0.00 ATOM 2320 2HH1 ARG 1 83 41.438 44.163 21.786 1.00 0.00 ATOM 2321 1HH2 ARG 1 83 44.612 42.903 21.107 1.00 0.00 ATOM 2322 2HIi2 ARG 1 83 44.209 42.358 19.502 1.00 0.00 ATOM 2323 N ALA 1 84 37.229 42.210 19.526 1.00 0.00 ATOM 2324 CA ALA 1 84 35.009 42.931 19.198 1.00 0.00 ATOM 2325 C ALA 1 84 36.211 44.436 19.209 1.00 0.00 ATOM 2326 O ALA 1 84 35.283 45.239 19.140 1.00 0.00 ATOM 2327 CB ALA 1 84 34.895 42.546 20.166 1.00 0.00 ATOM 2328 H ALA 1 84 37.555 42.163 20.470 1.00 0.00 ATOM 2329 N ASP 1 85 37.474 44.801 19.350 1.00 0.00 ATOM 2330 CA ASP 1 85 37.826 46.195 19.452 1.00 0.00 ATOM 2331 C ASP 1 85 38.557 46.627 18.191 1.00 0.00 ATOM 2332 O ASP 1 85 38.290 46.079 17.122 1.00 0.00 ATOM 2333 CB ASP 1 85 38.573 46.417 20.762 1.00 0.00 ATOM 2334 CG ASP 1 85 39.734 45.475 20.737 1.00 0.00 ATOM 2335 OD1 ASP 1 85 39.606 44.374 21.238 1.00 0.00 ATOM 2336 OD2 ASP 1 85 40.747 45.814 20.159 1.00 0.00 ATOM 2337 H ASP 1 85 38.224 44.146 19.311 1.00 0.00 ATOM 2338 N ILE 1 86 39.384 47.685 18.347 1.00 0.00 ATOM 2339 CA ILE 1 86 39.157 48.916 17.575 1.00 0.00 ATOM 2340 C ILE 1 86 37.773 49.537 17.774 1.00 0.00 ATOM 2341 O ILE 1 86 37.162 50.185 16.906 1.00 0.00 ATOM 2342 CB ILE 1 86 39.668 48.843 16.115 1.00 0.00 ATOM 2343 CG1 ILE 1 86 40.258 50.192 15.699 1.00 0.00 ATOM 2344 CG2 ILE 1 86 38.618 48.386 15.093 1.00 0.00 ATOM 2345 CD1 ILE 1 86 41.075 50.113 14.408 1.00 0.00 ATOM 2346 H ILE 1 86 39.852 47.802 19.223 1.00 0.00 ATOM 2347 N ALA 1 87 37.333 49.268 19.016 1.00 0.00 ATOM 2348 CA ALA 1 87 36.039 49.687 19.501 1.00 0.00 ATOM 2349 C ALA 1 87 36.043 51.170 19.531 1.00 0.00 ATOM 2350 O ALA 1 87 36.694 51.799 20.360 1.00 0.00 ATOM 2351 CB ALA 1 87 35.800 49.169 20.924 1.00 0.00 ATOM 2352 H ALA 1 87 38.072 48.996 19.622 1.00 0.00 ATOM 2353 N VAL 1 88 35.332 51.716 18.549 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM2354 CA VAL 1 88 34.934 53.110 18.7431.00 0.00 ATOM2355 C VAL 1 88 33.694 53.094 19.5511.00 0.00 ATOM2356 0 VAL 1 88 33.071 52..037 19.6531.00 0.00 ATOM2357 CB VAL 1 88 34.906 53.837 17.3911.00 0.00 ATOM2358 CG1 VAL 1 88 35.001 55.354 17.5481.00 0.00 ATOM2359 CG-2_VAL 1 88 36.041 53.381 16.4681.00 0.00 ATOM2360 H VAL 1 88 34.894 51.169 17.8381.00 0.00 ATOM2361 N ALA 1 89 33.396 54.262 20.1521.00 0.00 ATOM2362 CA ALA 1 89 32.414 54.462 21.2291.00 0.00 ATOM2363 C ALA 1 89 33.088 54.623 22.5661.00 0.00 ATOM2364 O ALA 1 89 33.818 53.770 23.0651.00 0.00 ATOM2365 CB ALA 1 89 31.333 53.388 21.4171.00 0.00 ATOM2366 H ALA 1 89 34.071 54.986 20.0151.00 0.00 ATOM2367 N PRO 1 90 32.789 54.799 23.1651.00 0.00 ATOM2368 CA PRO 1 90 33.416 56.268 24.4071.00 0.00 ATOM2369 C PRO 1 90 33.771 55.286 25.5171.00 0.00 ATOM2370 O PRO 1 90 33.118 55.203 26.5611.00 0.00 ATOM2371 CB PRO 1 90 32.476 57.392 24.8241.00 0.00 ATOM2372 CG PRO 1 90 32.057 58.008 23.5031.00 0.00 ATOM2373 CD PRO 1 90 31.856 56.785 22.6261.00 0.00 ATOM2374 I3 LEU 1 91 34.931 54.648 25.2351.00 0.00 ATOM2375 CA LEU 1 91 35.832 53.949 26.1551.00 0.00 ATOM2376 C LEU 1 91 36.278 54.857 27.2921.00 0.00 ATOM2377 O LEU 1 91 35.641 55.877 27.5331.00 0.00 ATOM2378 CB LEU 1 91 37.017 53.451 25.3411.00 0.00 ATOM2379 CG LEU 1 91 37.509 52.090 25.7931.00 0.00 ATOM2380 CD1 LEU 1 91 36.708 50.958 25.1481.00 0.00 ATOM2381 CD2 LEU 1 91 39.017 51.976 25.6181.00 0.00 ATOM2382 H LEU 1 91 35.213 54.609 24.2761.00 0.00 ATOM2383 N THR 1 92 37.313 54.529 28.0411.00 0.00 ATOM2384 CA THR 1 92 37.352 55.082 29.4021.00 0.00 ATOM2385 C THR 1 92 38.730 55.454 29.9211.00 0.00 ATOM2386 O THR 1 92 39.680 54.730 29.6711.00 0.00 ATOM2387 CB THR 1 92 36.650 54.028 30.2601.00 0.00 ATOM2388 OG1 THR 1 92 35.272 53.988 29.8601.00 0.00 ATOM2389 CG2 THR 1 92 36.791 54.149 31.7781.00 0.00 ATOM2390 H THR 1 92 37.999 53.026 27.7591.00 0.00 ATOM2391 HG1 THR 1 92 39.293 53.444 29.0671.00 0.00 ATOM2392 N ILE 1 93 38.844 56.591 30.6141.00 0.00 ATOM2393 CA ILE 1 93 40.191 56.965 31.0581.00 0.00 ATOM2394 C ILE 1 93 40.562 56.426 32.4381.00 0.00 ATOM2395 O ILE 1 93 39.905 56.718 33.4431.00 0.00 ATOM2396 CB ILE 1 93 40.371 58.493 30.9271.00 0.00 ATOM2397 CG1 ILE 1 93 41.779 58.953 31.3221.00 0.00 ATOM2398 CG2 ILE 1 93 39.296 59.264 31.7101.00 0.00 ATOM2399 CD1 ILE 1 93 42.043 60.422 30.9831.00 0.00 ATOM2400 H ILE 1 93 38.046 57.149 30.8251.00 0.00 ATOM2401 N THR 1 94 41.616 55.597 32.4401.00 0.00 ATOM2402 CA THR 1 94 42.106 54.953 33.6631.00 0.00 ATOM2403 C THR 1 94 43.500 54.432 33.3301.00 0.00 ATOM2404 0 THR 1 94 43.699 54.111 32.1731.00 0.00 ATOM2405 CB THR 1 94 41.166 53.787 34.0371.00 0.00 ATOM2406 OG1 THR 1 94 39.796 54.039 33.6281.00 0.00 ATOM2407 CG2 THR 1 94 41.227 53.511 35.5401.00 0.00 ATOM2408 H THR 1 94 42.105 55.397 31.5841.00 0.00 ATOM2409 HG1 THR 1 94 39.608 54.908 33.9851.00 0.00 ATOM2410 N LEU 1 95 44.445 54.327 34.2921.00 0.00 ATOM2411 CA LEU 1 95 45.751 53.798 33.8581.00 0.00 ATOM2412 C LEU 1 95 45.631 52.347 33.3871.00 0.00 ATOM2413 O LEU 1 95 46.201 51.923 32.3581.00 0.00 ATOM2414 CB LEU 1 95 46.795 53.976 34.9641.00 0.00 ATOM2415 CG LEU 1 95 48.229 53.674 34.5121.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2416 CDl LEU 1 95 48.669 54.558 33.342 1.00 0.00 ATOM 2417 CD2 LEU 1 95 49.213 53.736 35.680 1.00 0.00 ATOM 2418 H LEU 1 95 44.312 54..664 35.217 1. 0.00 OD

ATOM 2419 N VAL 1 96 44.879 51.607 34.170 1.00 0.00 ATOM 2420 CA VAL 1 96 44.444 50.292 33.679 1.00 0.00 ATOM 2421 C VAL 1 96 43.497 50.291 32.471 1.00 0.00 -ATOM 2422 O VAL 1 96 42.812 49.325 32.139 1.00 0.00 ATOM 2423 CB VAL 1 96 43.881 49.451 34.835 1.00 0.00 ATOM 2424 CGl VAL 1 96 44.958 49.226 35.899 1.00 0.00 2425 CG2 VAL 1 96 42.597 50.036 35.426 1.00 0.00 ATOM 1 96 568 51.975 35.042 1.00 0.00 ATOM 2426 H VAL .

ATOM 2427 N ARG 1 97 43.470 51.438 31.787 1.00 0.00 ATOM 2428 CA ARG 1 97 42.784 51.396 30.512 1.00 0.00 ATOM 2429 C ARG 1 97 43.678 51.257 29.324 1.00 0.00 ATOM 2430 O ARG 1 97 43.400 50.425 28.473 1.00 0.00 2431 CB ARG 1 97 41.808 52.538 30.335 1.00 0.00 ATOM CG ARG 1 97 40.455 52.056 30.825 1.00 0.00 ATOM 2432 97 958 912 29.954 1.00 0.00 ATOM 2433 CD ARG 1 . .

2434 NE ARG 1 97 38.651 50.485 30.421 1.00 0.00 ATOM CZ ARG 1 97 37.694 50.168 29.535 1.00 0.00 ATOM 2435 97 459 024 29.991 1.00 0.00 ATOM 2436 NH1 ARG 1 . .

ATOM 2437 NH2 ARG 1 97 37.962 50.048 28.242 1.00 0.00 ATOM 2438 H ARG 1 97 44.066 52.223 31.934 1.00 0.00 ATOM 2439 HE ARG 1 97 38.525 50.498 31.415 1.00 0.00 ATOM 2440 1HH1ARG 1 97 35.707 49.766 29.382 1.00 0.00 ATOM 2441 2HH1ARG 1 97 36.283 50.158 30.968 1.00 0.00 ATOM 2442 1HH2ARG 1 97 37.251 49.995 27.535 1.00 0.00 ATOM 2443 2HH2ARG 1 97 38.908 50.019 27.913 1.00 0.00 ATOM 2444 N GLU 1 98 44.767 52.020 29.273 1.00 0.00 ATOM 2445 CA GLU 1 98 45.745 51.584 28.282 1.00 0.00 ATOM 2446 C GLU 1 98 46.451 50.311 28.713 1.00 0.00 ATOM 2447 O GLU~ 1 98 46.514 49.295 28.025 1.00 0.00 2448 CB GLU 1 98 46.717 52.699 27.844 1.00 0.00 ATOM GLU 1 98 244 53.642 28.883 1.00 0.00 ATOM 2449 CG 1 98 . 690 29.353 1.00 0.00 ATOM 2450 CD GLU . .

ATOM 2451 OE1 GLU 1 98 46.201 55.728 28.717 1.00 0.00 ATOM 2452 OE2 GLU 1 98 45.717 54.475 30.373 1.00 0.00 2453 H GLU 1 98 44.913 52.735 29.955 1.00 0.00 ATOM GLU 1 99 966 50.359 29.943 1.00 0.00 ATOM 2454 N 99 . 136 30.361 1.00 0.00 ATOM 2455 CA GLU 1 . .

ATOM 2456 C GLU 1 99 46.782 48.071 31.020 1.00 0.00 ATOM 2457 O GLU 1 99 47.232 47.192 31.744 1.00 0.00 M 2458 CB GLU 1 99 48.958 49.451 31.083 1.00 0.00 ATO GLU 1 99 078 48.456 30.744 1.00 0.00 ATOM 2459 CG 1 99 . 313 29.238 1.00 0.00 ATOM 2460 CD GLU . .

ATOM 2461 OE1 GLU 1 99 50.096 49.254 28.483 1.00 0.00 ATOM 2462 OE2 GLU 1 99 50.689 47.237 28.790 1.00 0.00 ATOM 2463 H GLU 1 99 46.825 51.157 30.526 1.00 0.00 ATOM 2464 N VAL 1 100 45.488 48.154 30.680 1.00 0.00 ATOM 2465 CA VAL 1 100 44.782 46.895 30.458 1.00 0.00 ATOM 2466 C VAL 1 100 44.096 46.924 29.098 1.00 0.00 ATOM 2467 O VAL 1 100 44.514 46.268 28.149 1.00 0.00 ATOM 2468 CB VAL 1 100 43.794 46.486 31.578 1.00 0.00 ATOM 2469 CG1 VAL 1 100 43.117 45.144 31.274 1.00 0.00 ATOM 2470 CG2 VAL 1 100 44.458 46.398 32.952 1. 0.00 ATOM 2471 H VAL 1 100 45.139 48.985 30.256 1.00 0.00 ATOM 2472 N ILE 1 101 42.988 47.671 28.995 1.00 0.00 ATOM 2473 CA ILE 1 101 42.246 47.533 27.731 1.00 0.00 ATOM 2474 C ILE 1 101 42.178 48.764 26.820 1.00 0.00 ATOM 2475 O ILE 1 101 41.223 49.557 26.863 1.00 0.00 ATOM 2476 CB ILE 1 101 40.870 46.870 27.957 1.00 0.00 ATOM 2477 CGl ILE 1 101 40.173 47.361 29.227 1.00 0.00 SUBSTITUTE SHEET (RULE 26) t ATOM 2478 CG2 ILE 1 101 41.039 45.347 28.007 1.00 0.00 ATOM 2479 CDl ILE 1 101 38.814 46.694 29.457 1.00 0.00 ATOM 2480 H ILE 1 101 42.741 48:277 29.753 1.00 0.00 ATOM 2481 N ASP 1 102 43.277 48.854 26.039 1.00 0.00 ATOM 2482 CA ASP 1 102 43.843 50.034 25.377 1.00 0.00 ATOM 2483 C ASP 1 102 42.955 51.086 24.775 1.00 0.00 -ATOM 2484 O ASP 1 102 41.750 50.949 24.580 1.00 0.00 ATOM 2485 CB ASP 1 102 44.900 49.660 24.335 1.00 0.00 ATOM 2486 CG ASP 1 102 46.164 49.173 24.991 1.00 0.00 ATOM 2487 OD1 ASP 1 102 47.123 49.928 25.101 1.00 0.00 ATOM 2488 OD2 ASP 1 102 46.203 48.023 25.393 1.00 0.00 ATOM 2489 H ASP 1 102 43.948 48.129 26.173 1.00 0.00 ATOM 2490 N PHE 1 103 43.635 52.203 24.510 1.00 0.00 ATOM 2491 CA PHE 1 103 42.962 53.493 24.440 1.00 0.00 ATOM 2492 C PHE 1 103 43.031 54.203 23.091 1.00 0.00 ATOM 2493 O PHE 1 103 43.430 53.644 22.066 1.00 0.00 ATOM 2494 CB PHE 1 103 43.525 54.345 25.596 1.00 0.00 ATOM 2495 CG PHE 1 103 44.894 54.956 25.328 1.00 0.00 ATOM 2496 CD1 PHE 1 203 45.087 56.312 25.668 1.00 0.00 ATOM 2497 CD2 PHE 1 103 45.946 54.201 24.759 1.00 0.00 ATOM 2498 CE1 PHE 1 103 46.332 56.925 25.433 1.00 0.00 ATOM 2499 CE2 PHE 1 103 47.194 54.808 24.522 1.00 0.00 ATOM 2500 CZ PHE 1 103 47.373 56.166 24.860 1.00 0.00 ATOM 2501 H PHE 1 103 44.628 52.124 24.432 1.00 0.00 ATOM 2502 N SER 1 104 42.693 55.502 23.179 1.00 0.00 ATOM 2503 CA SER 1 104 43.287 56.497 22.295 1.00 0.00 ATOM 2504 C SER 1 104 43.365 57.842 23.008 1.00 0.00 ATOM 2505 O SER 1 104 42.884 57.980 24.137 1.00 0.00 ATOM 2506 CB SER 1 I04 42.547 56.594 20.965 1.00 0.00 ATOM 2507 OG SER 1 104 43.418 57.227 20.009 1.00 0.00 ATOM 2508 H SER 1 104 42.169 55.815 23.969 1.00 0.00 ATOM 2509 HG SER 1 104 42.856 57.416 19.261 1.00 0.00 ATOM 2510 N LYS 1 105 43.994 58.822 22.328 1.00 0.00 ATOM 2511 CA LYS 1 105 44.148 60.159 22.922 1.00 0.00 ATOM 2512 C LYS 1 105 42.768 60.754 23.191 1.00 0.00 ATOM 2513 O LYS 1 105 41.861 60.440 22.423 1.00 0.00 ATOM 2514 CB LYS 1 105 44.924 61.023 21.919 1.00 0.00 ATOM 2515 CG LYS 1 105 45.936 62.004 22.515 1.00 0.00 ATOM 2516 CD LYS 1 105 46.411 63.037 21.491 1.00 0.00 ATOM 2517 CE LYS 1 105 47.473 63.983 22.056 1.00 0.00 ATOM 2518 NZ LYS 1 105 47.542 65.179 21.212 1.00 0.00 ATOM 2519 H LYS 1 105 44.243 58.605 21.381 1.00 0.00 ATOM 2520 1HZ LYS 1 105 46.589 65.594 21.139 1.00 0.00 ATOM 2521 2HZ LYS 1 105 48.070 65.944 21.667 1.00 0.00 ATOM 2522 3HZ LYS 1 105 47.889 65.946 20.248 1.00 0.00 ATOM 2523 N PRO 1 106 42.606' 61.571 24.269 1.00 0.00 ATOM 2524 CA PRO 1 106 41.329 62.259 24.543 1.00 0.00 ATOM 2525 C PRO 1 106 40.570 62.908 23.380 1.00 0.00 ATOM 2526 O PRO 1 106 40.587 64.118 23.125 1.00 0.00 ATOM 2527 CB PRO 1 106 41.713 63.234 25.659 1.00 0.00 ATOM 2528 CG PRO 1 106 42.821 62.511 26.421 1.00 0.00 ATOM 2529 CD PRO 1 106 43.600 61.817 25.309 1.00 0.00 ATOM 2530 N PHE 1 107 39.825 62.029 22.692 1.00 0.00 ATOM 2531 CA PHE 1 107 39.071 62.548 21.560 1.00 0.00 ATOM 2532 C PHE 1 107 37.603 62.778 21.831 1.00 0.00 ATOM 2533 O PHE 1 107 36.963 63.606 21.188 1.00 0.00 ATOM 2534 CB PHE 1 107 39.225 61.657 20.317 1.00 0.00 ATOM 2535 CG PHE 1 107 40.638 61.658 19.771 1.00 0.00 ATOM 2536 CDl PHE 1 107 41.312 62.879 19.533 1.00 0.00 ATOM 2537 CD2 PHE 1 107 41.258 60.421 19.485 1.00 0.00 ATOM 2538 CE1 PHE 1 107 42.617 62.861 19.004 1.00 0.00 ATOM 2539 CE2 PHE 1 107 42.563 60.400 18.956 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2540 CZ PHE 1 107 43.228 61.622 18.718 1.00 0.00 ATOM 2541 H PHE 1 107 39.946 61.055 22.910 1.00 0.00 ATOM 2542 N MET 1 108 37.060 61.980 22.765 1.00. 0.00 ATOM 2543 CA MET 1 108 35.601 62.083 22.856 1.00 0.00 ATOM 2544 C MET 1 108 34.980 63.079 23.816 1.00 0.00 ATOM 2545 O -_ MET 1 108 34.000 63.764 23.506 1.00 0.00 ATOM 2546 CB MET 1 108 34.945 60.714 22.942 1.00 0.00 ATOM 2547 CG MET 1 108 34.020 60.522 21.737 1.00 0.00 ATOM 2548 SD MET 1 108 34.885 60.418 20.156 1.00 0.00 ATOM 2549 CE MET 1 108 34.587 62.089 19.552 1.00 0.00 ATOM 2550 H MET 1 108 37.613 61.351 23.313 1.00 0.00 ATOM 2551 N SER 1 109 35.622 63.173 24.991 1.00 0.00 ATOM 2552 CA SER 1 109 35.476 64.400 25.779 1.00 0.00 ATOM 2553 C SER 1 109 34.039 64.723 26.216 1.00 0.00 ATOM 2554 O SER 1 109 33.155 63.872 26.105 1.00 0.00 ATOM 2555 CB SER 1 109 36.200 65.531 25.027 1.00 0.00 ATOM 2556 OG SER 1 109 37.214 64.984 24.141 1.00 0.00 ATOM 2557 H SER 1 109 36.293 62.475 25.227 1.00 0.00 ATOM 2558 HG SER 1 109 37.580 65.723 23.638 1.00 0.00 ATOM 2559 N LEU 1 110 33.848 65.963 26.761 1.00 0.00 ATOM 2560 CA LEU 1 110 32.599 66.482 27.373 1.00 0.00 ATOM 2561 C LEU 1 110 32.394 65.945 28.789 1.00 0.00 ATOM 2562 O LEU 1 110 32.668 64.769 29.047 1.00 0.00 ATOM 2563 CB LEU 1 110 31.372 66.294 26.452 1.00 0.00 ATOM 2564 CG LEU 1 110 30.204 67.286 26.600 1.00 0.00 ATOM 2565 CD1 LEU 1 110 29.270 66.978 27.772 1.00 0.00 ATOM 2566 CD2 LEU 1 110 30.679 68.740 26.609 1.00 0.00 ATOM 2567 H LEU 1 110 34.667 66.532 26.874 1.00 0.00 ATOM 2568 N GLY 1 111 32.002 66.827 29.726 1.00 0.00 ATOM 2569 CA GLY 1 111 32.226 66.455 31.133 1.00 0.00 ATOM 2570 C GLY 1 111 30.992 66.172 31.976 1.00 0.00 ATOM 2571 O GLY 1 111 29.881 66.610 31.642 1.00 0.00 ATOM 2572 H GLY 1 111 31.732 67.749 29.447 1.00 0.00 ATOM 2573 N ILE 1 112 31.236 65.419 33.071 1.00 0.00 ATOM 2574 CA ILE 1 112 30.184 65.069 34.029 1.00 0.00 ATOM 2575 C ILE 1 112 29.338 66.275 34.398 1.00 0.00 ATOM 2576 O ILE 1 112 29.773 67.281 34.962 1.00 0.00 ATOM 2577 CB ILE 1 112 30.756 64.341 35.262 1.00 0.00 ATOM 2578 CG1 ILE 1 112 29.071 63.816 36.202 1.00 0.00 ATOM 2579 CG2 ILE 1 112 31.706 65.229 36.057 1.00 0.00 ATOM 2580 CD1 ILE 1 112 28.862 62.664 35.619 1.00 0.00 ATOM 2581 H ILE 1 112 32.204 65.258 33.247 1.00 0.00 ATOM 2582 N SER 1 113 28.105 66.162 33.901 1.00 0.00 ATOM 2583 CA SER 1 113 27.215 67.317 33.849 1.00 0.00 ATOM 2584 C SER 1 113 26.551 67.591 35.194 1.00 0.00 ATOM 2585 O SER 1 113 25.470 67.108 35.552 1.00 0.00 ATOM 2586 CB SER 1 113 26.254 67.138 32.663 1.00 0.00 ATOM 2587 OG SER 1 113 26.985 66.790 31.454 1.00 0.00 ATOM 2588 H SER 1 113 27.810 65.269 33.565 1.00 0.00 ATOM 2589 HG SER 1 113 26.644 67.436 30.833 1.00 0.00 ATOM 2590 N ILE 1 114 27.351 68.334 35.973 1.00 0.00 ATOM 2591 CA ILE 1 114 27.115 68.453 37.404 1.00 0.00 ATOM 2592 C ILE 1 114 25.996 69.422 37.707 1.00 0.00 ATOM 2593 O ILE 1 114 26.044 70.593 37.326 1.00 0.00 ATOM 2594 CB ILE 1 114 28.425 68.844 38.134 1.00 0.00 ATOM 2595 CG1 ILE 1 114 29.492 67.765 37.953 1.00 0.00 ATOM 2596 CG2 ILE 1 114 28.229 69.048 39.688 1.00 0.00 ATOM 2597 CDl ILE 1 114 30.785 68.023 38.733 1.00 0.00 ATOM 2598 H ILE 1 114 28.170 68.718 35.545 1.00 0.00 ATOM 2599 N MET 1 115 25.041 68.859 38.470 1.00 0.00 ATOM 2600 CA MET 1 115 23.955 69.635 39.063 1.00 0.00 ATOM 2601 C MET 1 115 22.349 69.972 38.081 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2602 O MET 1 115 22.597 71.113 37.700 1.00 0.00 ATOM 2603 CB MET 1 115 24.448 70.834 39.814 1.00 0.00 ATOM 2604 CG MET 1 115 25.420 70.678 40.974 1.00_0.00 ATOM 2605 SD MET 1 115 24.768 69.687 42.319 1.00 0.00 ATOM 2606 CE MET 1 115 26.365 69.226 43.009 1.00 0.00 ATOM 2607 H MET 1 115 25.011 67.859 38.522 1.00 0.00 -ATOM 2608 _ ILE 1 116 22.144 68.885 37.687 1.00 0.00 N

ATOM 2609 CA ILE 1 116 20.943 69.162 36.883 1.00 0.00 ATOM 2610 C ILE 1 116 19.697 69.284 37.748 1.00 0.00 ATOM 2611 O ILE 1 116 19.548 68.524 38.693 1.00 0.00 ATOM 2612 CB ILE 1 116 20.782 68.225 35.672 1.00 0.00 ATOM 2613 CG1 ILE 1 116 20.144 66.865 35.951 1.00 0.00 ATOM 2614 CG2 ILE 1 116 22.148 68.077 34.994 1.00 0.00 ATOM 2615 CDl ILE 1 116 18.641 66.824 35.656 1.00 0.00 ATOM 2616 H ILE 1 116 22.388 67.980 38.046 1.00 0.00 ATOM 2617 N LYS 1 117 18.928 70.359 37.504 1.00 0.00 ATOM 2618 CA LYS 1 117 18.521 71.127 38.682 1.00 0.00 ATOM 2619 C LYS 1 117 17.533 72.242 38.336 1.00 0.00 ATOM 2620 O LYS 1 117 16.677 72.088 37,461 1.00 0.00 ATOM 2621 CB LYS 1 117 19.805 71.583 39.386 1.00 0.00 ATOM 2622 CG LYS 1 117 19.875 71.983 40.857 1.00 0.00 ATOM 2623 CD LYS 1 117 21.337 72.179 41.275 1.00 0.00 ATOM 2624 CE LYS 1 117 22.134 73.324 40.614 1.00 0.00 ATOM 2625 NZ LYS 1 117 22.274 73.193 39.160 1.00 0.00 ATOM 2626 H LYS 1 117 18.953 70.808 36.613 1.00 0.00 ATOM 2627 1HZ LYS 1 117 21.344 73.357 38.726 1.00 0.00 ATOM 2628 2HZ LYS 1 117 22.961 73.828 38.721 1.00 0.00 ATOM 2629 3HZ LYS 1 117 22.537 72.236 38.889 1.00 0.00 ATOM 2630 N LYS 1 118 17.589 73.353 39.093 1.00 0.00 ATOM 2631 CA LYS 1 118 16.634 74.456 38.972 1.00 0.00 ATOM 2632 C LYS 1 118 17.295 75.828 39.070 1.00 0.00 ATOM 2633 O LYS 1 118 17.653 76.355 40.130 1.00 0.00 ATOM 2634 CB LYS 1 118 15.495 74.326 39.992 1.00 0.00 ATOM 2635 CG LYS 1 118 14.499 73.228 39.610 1.00 0.00 ATOM 2636 CD LYS 1 118 13.760 73.556 38.307 1.00 0.00 ATOM 2637 CE LYS 1 118 13.209 72.322 37.589 1.00 0.00 ATOM 2638 NZ LYS 1 118 14.309 71.565 36.995 1.00 0.00 ATOM 2639 H LYS 1 118 18.395 73.585 39.636 1.00 0.00 ATOM 2640 1HZ LYS 1 118 15.020 71.355 37.723 1.00 0.00 ATOM 2641 2HZ LYS 1 118 13.947 70.703 36.560 1.00 0.00 ATOM 2642 3HZ LYS 1 118 14.819 72.120 36.286 1.00 0.00 ATOM 2643 N PRO 1 119 17.416 76.435 37.865 1.00 0.00 ATOM 2644 CA PRO 1 119 18.069 77.745 37.769 1.00 0.00 ATOM 2645 C PRO 1 119 17.178 78.836 38.354 1.00 0.00 ATOM 2646 O PRO 1 119 16.284 78.580 39.163 1.00 0.00 ATOM 2647 CB PRO 1 119 18.298 77.861 36.254 1.00 0.00 ATOM 2648 CG PRO 1 119 17.134 77.105 35.619 1.00 0.00 ATOM 2649 CD PRO 1 119 16.961 75.931 36.571 1.00 0.00 ATOM 2650 N GLY 1 120 17.432 80.054 37.882 1.00 0.00 ATOM 2651 CA GLY 1 120 16.488 81.150 38.077 1.00 0.00 ATOM 2652 C GLY 1 120 16.735 82.074 36.911 1.00 0.00 ATOM 2653 O GLY 1 120 17.735 81.888 36.224 1.00 0.00 ATOM 2654 H GLY 1 120 18.259 80.180 37.332 1.00 0.00 ATOM 2655 N LYS 1 121 15.845 83.051 36.675 1.00 0.00 ATOM 2656 CA LYS 1 121 16.255 84.015 35.645 1.00 0.00 ATOM 2657 C LYS 1 121 17.029 85.195 36.208 1.00 0.00 ATOM 2658 O LYS 1 121 16.769 86.365 35.935 1.00 0.00 ATOM 2659 CB LYS 1 121 15.091 84.462 34.747 1.00 0.00 ATOM 2660 CG LYS 1 121 14.642 82.367 33.771 1.00 0.00 ATOM 2661 CD LYS 1 121 13.800 83.891 32.598 1.00 0.00 ATOM 2662 CE LYS 1 121 13.424 82.780 31.608 1.00 0.00 ATOM 2663 NZ LYS 1 121 12.838 83.335 30.376 1.00 0.00 7$
SUBSTITUTE SHEET (RULE 26) ATOM2664 H LYS 1 121 15.050 83.256 37.247 1.00 0.00 ATOM2665 1HZ LYS 1 121 13.498 84.009 29.945 1.00 0.00 ATOM2666 2HZ LYS 1 121 12.672 82.574 29.690 1.00 0.00 ATOM2667 3HZ LYS 1 121 11.937 83.806 30.577 1.00 0.00 ATOM2668 N SER 1 122 18.006 84.796 37.037 1.00 0.00 ATOM2669 CA_ SER 1 122 18.929 85.779 37.576 1.00 0.00 ATOM2670 C SER 1 122 20.170 85.797 36.716 1.00 0.00 ATOM2671 O SER 1 122 20.911 84.822 36.614 1.00 0.00 ATOM2672 CB SER 1 122 19.240 85.459 39.038 1.00 0.00 ATOM2673 OG SER 1 122 18.913 84.087 39.351 1.00 0.00 ATOM2674 H SER 1 122 18.239 83.835 37.160 1.00 0.00 ATOM2675 HG SER 1 122 19.094 84.033 40.291 1.00 0.00 ATOM2676 N LYS 1 123 20.305 86.945 36.029 1.00 0.00 ATOM2677 CA LYS 1 123 21.359 87.150 35.030 1.00 0.00 ATOM2678 C LYS 1 123 21.498 86.028 33.997 1.00 0.00 ATOM2679 O LYS 1 123 22.276 85.091 34.134 1.00 0.00 ATOM2680 CB LYS 1 123 22.687 87.523 35.721 1.00 0.00 ATOM2681 CG LYS 1 123 23.643 88.378 34.873 1.00 0.00 ATOM2682 CD LYS 1 123 24.364 87.593 33.778 1.00 0.00 ATOM2683 CE LYS 1 123 24.968 88.459 32.677 1.00 0.00 ATOM2684 NZ LYS 1 123 25.421 87.588 31.593 1.00 0.00 ATOM2685 H LYS 1 123 19.616 87.646 36.209 1.00 0.00 ATOM2686 1HZ LYS 1 123 24.815 86.746 31.488 1.00 0.00 ATOM2687 2HZ LYS 1 123 25.454 88.106 30.692 1.00 D.00 ATOM2688 3HZ LYS 1 123 26.400 87.278 31.732 1.00 0.00 ATOM2689 N PRO 1 124 20.686 86.146 32.924 1.00 0.00 ATOM2690 CA PRO 1 124 20.755 85.140 31.858 1.00 0.00 ATOM2691 C PRO 1 124 22.033 85.301 31.025 1.00 0.00 ATOM2692 O PRO 1 124 22.806 86.237 31.204 1.00 0.00 ATOM2693 CB PRO 1 124 19.478 85.422 31.076 1.00 0.00 ATOM2694 CG PRO 1 124 19.244 86.925 31.236 1.00 0.00 ATOM2695 CD PRO 1 124 19.697 87.188 32.667 1.00 0.00 ATOM2696 N GLY 1 125 22.187 84.360 30.074 1.00 0.00 ATOM2697 CA GLY 1 125 23.347 84.355 29.175 1.00 0.00 ATOM2698 C GLY 1 125 23.793 85.683 28.574 1.00 0.00 ATOM2699 O GLY 1 125 23.049 86.832 27.048 1.00 0.00 ATOM2700 H GLY 1 125 21.554 83.583 30.097 1.00 0.00 ATOM2701 N GLY 1 126 25.051 86.015 28.895 1.00 0.00 ATOM2702 CA GLY 1 126 25.720 87.148 28.266 1.00 0.00 ATOM2703 C GLY 1 126 26.936 87.561 29.083 1.00 0.00 ATOM2704 lOCTGLY 1 126 26.894 88.596 29.734 1.00 0.00 ATOM2705 20CTGLY 1 126 27.923 86.836 29.109 1.00 O.DO
ATOM2706 H GLY 1 126 25.528 85.446 29.564 1.00 0.00 END

SUBSTITUTE SHEET (RULE 26) REMARK 1 Ka Receptor (GluR6) Model of the glutamate binding site ATOM 1 N SER1 427 47.092 43.380 10.5011.00 0.00 ATOM 2 CA SER1 427 47.313 44.694 -11.1081. 0.00 ATOM 3 C SER1 427 45.964 45.140 11.6041.00 0.00 ATOM 4 _ SER1 427 45.123 44.290 11.8851.00 0.00 O
-ATOM 5 CB SER1 427 47.842 45.643 1D.0371.00 0.00 ATOM 6 OG SER1 427 4&.684 44.947 9.101 1.00 0.00 ATOM 7 1HT SER1 427 46.213 43.433 9.943 1.00 0.00 ATOM 8 2HT SER1 427 47.904 43.154 9.893 1.00 0.00 ATOM 9 3HT SER1 427 46.929 42.671 11.2421.00 0.00 ATOM 10 HG SER1 427 49.148 45.651 8.645 1.00 0.00 ATOM 11 N LEU1 428 45.730 46.468 11.5671.00 0.00 ATOM 12 CA LEU1 428 44.377 46.910 11.2121.00 0.00 ATOM 13 C LEU1 428 43.950 46.209 9.927 1.00 0.00 ATOM 14 O LEU1 428 44.508 46.464 8.856 1.00 0.00 ATOM 15 CB LEU1 428 44.392 48.424 11.0001.00 0.00 ATOM 16 CG LEU1 428 43.000 49.039 10.8831.00 0.00 ATOM 17 CD1 LEU1 428 42.321 49.089 12.2461. 0.00 ATOM 18 CD2 LEU1 428 43.023 50.409 10.2081.00 0.00 ATOM 19 H LEU1 428 46.469 47.135 11.6681. 0.00 ATOM 20 N SER1 429 43.051 45.242 10.0801.00 0.00 ATOM 21 CA SER1 429 42.860 44.429 8.892 1.00 0.00 ATOM 22 C SER1 429 41.538 44.706 8.197 1.00 0.00 ATOM 23 O SER1 429 40.916 45.753 8.386 1.00 0.00 ATOM 24 CB SER1 429 43.170 42.962 9.222 1.00 0.00 ATOM 25 OG SER1 429 44.547 42.831 9.655 1.00 0.00 ATOM 26 H SER1 429 42.584 45.049 10.9431.00 0.00 ATOM 27 HG SER1 429 44.427 42.991 10.6021.00 0.00 ATOM 28 N ASN1 430 41.125 43.779 7.312 1.00 0.00 ATOM 29 CA ASN1 430 39.849 44.095 6.658 1.00 0.00 ATOM 30 C ASN1 430 38.637 44.024 7.583 1. 0.00 ATOM 31 O ASN1 430 37.638 44.732 7.414 1.00 0.00 ATOM 32 CB ASN1 430 39.640 43.257 5.395 1.00 0.00 ATOM 33 CG ASN1 430 38.943 44.073 4.312 1.00 0.00 ATOM 34 ODl ASN1 430 39.439 44.214 3.200 1.00 0.00 ATOM 35 ND2 ASN1 430 37.747 44.566 4.651 1.00 0.00 ATOM 36 H ASN1 430 41.572 42.897 7.187 1.00 0.00 ATOM 37 1HD2ASN1 430 37.265 45.082 3.942 1.00 0.00 ATOM 38 2HD2ASN1 430 37.327 44.425 5.543 1.00 0.00 ATOM 39 N ARG1 431 38.797 43.145 8.581 1.00 0.00 ATOM 40 CA ARG1 431 37.936 43.225 9.753 1.00 0.00 ATOM 41 C ARG1 431 38.722 43.986 10.7971.00 0.00 ATOM 42 O ARG1 431 39.945 43.851 10.8601. 0.00 ATOM 43 CB ARG1 431 37.594 41.811 10.2281.00 0.00 ATOM 44 CG ARG1 431 37.175 40.866 9.091 1.00 0.00 ATOM 45 CD ARG1 431 35.754 41.036 8.536 1.00 0.00 ATOM 46 NE ARG1 431 35.460 42.390 8.059 1. 0.00 ATOM 47 CZ ARG1 431 34.254 42.935 8.318 1.00 0.00 ATOM 48 NH1 ARG1 431 33.935 44.114 7.798 1.00 0.00 ATOM 49 NH2 ARG1 431 33.382 42.298 9.083 1.00 0.00 ATOM 50 H ARG1 431 39.688 42.724 8.724 1.00 0.00 ATOM 51 HE ARG1 431 36.122 42.928 7.537 1.00 0.00 ATOM 52 1HH1ARG1 431 33.070 44.551 8.075 1.00 0.00 ATOM 53 2HH1ARG1 431 34.494 44.604 7.142 1.00 0.00 ATOM 54 1HH2ARG1 431 32.490 42.730 9.233 1.00 0.00 ATOM 55 2HH2ARG1 431 33.596 41.411 9.489 1.00 0.00 ATOM 56 N SER1 432 37.995 44.833 11.5481.00 0.00 ATOM 57 CA SER1 432 38.563 45.819 12.4831.00 0.00 ATOM 58 C SER1 432 37.449 46.706 13.0091.00 0.00 ATOM 59 O SER1 432 37.086 47.7D3 12,.3861.00 0.00 ATOM 60 CB SER1 432 39.626 46.690 11.8081.00 0.00 ATOM 61 OG SER1 432 39.308 46.857 10.4111.00 0.00 ATOM 62 H SER1 432 36.999 44.754 11.4781.00 0.00 ATOM 63 HG SER1 432 39.842 46.205 9.949 1.00 0.00 ATOM 64 N LEU1 433 36.848 46.204 14.0831.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 65 CA LEU 1 433 35.475 46.479 14.507 1.00 0.00 ATOM 66 C LEU 1 433 35.300 47.726 15.388 1.00 0.00 ATOM 67 O LEU 1 433 36.128 48.636 15.437 1.00 0.00 ATOM 68 CB LEU 1 433 34.979 45.242 15.281 1.00 0.00 ATOM 69 CG LEU 1 433 34.645 43.890 14.636 1.00 0.00 ATOM 70 CD1 LEU 1 433 35.669 43.315 13.655 1.00 0.00 ATOM 71 CD2-LEU 1 433 34.369 42.885 15.756 1.00 0.00 ATOM 72 H LEU 1 433 37.387 45.506 14.551 1.00 0.00 ATOM 73 N ILE i 434 34..200 47.654 16.179 1.00 0.00 ATOM 74 CA ILE 1 434 33.966 48.378 17.434 1.00 0.00 ATOM 75 C ILE 1 434 32.965 47.592 18.279 1.00 0.00 ATOM 76 O ILE 1 434 31.998 47.052 17.751 1.00 0.00 ATOM 77 CB ILE 1 434 33.468 49.813 17.148 1.00 0.00 ATOM 78 CGl ILE 1 434 32.932 50.606 18.345 1.00 0.00 ATOM 79 CG2 ILE 1 434 32.402 49.786 16.081 1.00 0.00 ATOM 80 CD1 ILE 1 434 32.194 51.873 17.901 1.00 0.00 ATOM 81 H ILE 1 434 33.481 46.999 15.954 1.00 0.00 ATOM 82 N VAL 1 435 33.208 47.608 19.594 1.00 0.00 ATOM 83 CA VAL 1 435 32.100 47.249 20.477 1.00 0.00 ATOM 84 C VAL 1 435 31.412 48.471 21.067 1.00 0.00 ATOM 85 O VAL 1 435 32.065 49.397 21.577 1.00 0.00 ATOM 86 CB VAL 1 435 32.553 46.274 21.579 1.00 0.00 ATOM 87 CG1 VAL 1 435 32.893 44.913 20.976 1.00 0.00 ATOM 88 CG2 VAL 1 435 33.712 46.812 22.427 1.00 0.00 ATOM 89 H VAL 1 435 34.125 47.841 19.922 1.00 0.00 ATOM 90 N THR 1 436 30.076 48.467 20.979 1.00 0.00 ATOM 91 CA THR 1 436 29.280 49.491 21.657 1.00 0.00 ATOM 92 C THR 1 436 27.861 49.028 21.912 1.00 0.00 ATOM 93 O THR 1 436 27.220 48.384 21.080 1.00 0.00 ATOM 94 CB THR 1 436 29.304 50.824 20.890 1.00 0.00 ATOM 95 OG1 THR 1 436 28.953 51.933 21.749 1.00 0.00 ATOM 96 CG2 THR 1 436 28.503 50.829 19.584 1.00 0.00 ATOM 97 H THR 1 436 29.645 47.865 20.309 1.00 0.00 ATOM 98 HG1 THR 1 436 28.012 51.865 21.923 1.00 0.00 ATOM 99 N THR 1 437 27.397 49.365 23.113 1.00 0.00 ATOM 100 CA THR 1 437 26.169 48.695 23.506 1.00 0.00 ATOM 101 C THR 1 437 24.902 49.277 22.916 1.00 0.00 ATOM 102 O THR 1 437 24.569 50.445 23.116 1.00 0.00 ATOM 103 CB THR 1 437 26.061 48.651 25.022 1.00 0.00 ATOM 104 OG1 THR 1 437 27.343 48.873 25.650 1.00 0.00 ATOM 105 CG2 THR 1 437 25.354 47.371 25.472 1.00 0.00 ATOM 106 H THR 1 437 27.906 49.970 23.724 1.00 0.00 ATOM 107 HG1 THR 1 437 27.458 49.821 25.588 1.00 0.00 ATOM 108 N ILE 1 438 24.164 48.387 22.228 1.00 0.00 ATOM 109 CA ILE 1 438 22.799 48.710 21.782 1.00 0.00 ATOM 110 C ILE 1 438 21.877 49.189 22.906 1.00 0.00 ATOM 111 O ILE 1 438 21.039 50.075 22.742 1.00 0.00 ATOM 112 CH ILE 1 438 22.188 47.517 21.018 1.00 0.00 ATOM 113 CG1 ILE 1 438 20.726 47.752 20.614 1.00 0.00 ATOM 114 CG2 ILE 1 438 22.299 46.215 21.825 1.00 0.00 ATOM 115 CD1 ILE 1 438 20.528 48.811 19.532 1.00 0.00 ATOM 116 H ILE 1 438 24.544 47.463 22.204 1.00 0.00 ATOM 117 N LEU 1 439 22.123 48.579 24.080 1.00 0.00 ATOM 118 CA LEU 1 439 21.353 49.012 25.236 1.00 0.00 ATOM 119 C LEU 1 439 21.746 50.402 25.702 1.00 O.OD
ATOM 120 O LEU 1 439 20.925 51.199 26.151 1.00 0.00 ATOM 121 CB LEU 1 439 21.499 47.982 26.361 1.00 0.00 ATOM 122 CG LEU 1 439 20.608 48.222 27.585 1.00 0.00 ATOM 123 CD1 LEU 1 439 19.117 48.142 27.249 1.00 0.00 ATOM 124 CD2 LEU 1 439 20.981 47.291 28.739 1.00 0.00 ATOM 125 H LEU 1 439 22.909 47.975 24.181 1.00 0.00 ATOM 126 N GLU 1 440 23.049 50.678 25.615 1.00 0.00 ATOM 127 CA GLU 1 440 23.420 51.995 26.127 1.00 0.00 ATOM 128 C GLU 1 440 23.181 53.116 25.136 1.00 0.00 ATOM 129 O GLU 1 440 23.105 52.904 23.920 1.00 0.00 ATOM 130 CB GLU 1 440 24.872 52.018 26.609 1.00 0.00 ATOM 131 CG GLU 1 440 25.882 52.122 25.458 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM 132 CD GLU 1440 27.302 52.02625.950 1.00 0.00 ATOM 133 OE1GLU 1440 27.548 51.38326.951 1.00 0.00 ATOM 134 OE2GLU 1440 28.187 52.57625.323 1.00 D._00 ATOM 135 H GLU 1440 23.690 50.02725.21.91.00 0.00 ATOM 136 N GLU 1441 23.147 54:31125.721 1.00 0.00 ATOM 137 CA GLU i441 23.125 55.55224.951 1.00 0.00 ATOM 138 _ GLU 1441 24.540 55.90724.428 1.00 0.00 C
-ATOM 139 O GLU 1441 25.321 54.97524.200 1.00 0.00 ATOM 140 CB GLU 1441 22-.391 56.55425.864 1.00 0.00 ATOM 141 CG GLU 1441 20.977 56.09426.255 1.00 0.00 ATOM 142 CD GLU 1441 20.153 55.78025.018 1.00 0.00 ATOM 143 OE1GLU 1441 19.756 56.69424.311 1.00 0.00 ATOM 144 OE2GLU 1441 19.899 54.61324.740 1.00 0.00 ATOM 145 H GLU 1441 23.176 54.35326.718 1.00 0.00 ATOM 146 N PRO 1442 24.892 57.20924.202 1.00 0.00 ATOM 147 CA PRO 1442 24.013 58.31523.765 1.00 0.00 ATOM 148 C PRO 1442 23.258 58.13522.446 1.00 0.00 ATOM 149 O PRO 1442 22.629 59.05121.904 1.00 0.00 ATOM 150 CB PRO 1442 24.957 59.52123.748 1.00 O.OO

ATOM 151 CG PRO 1442 26.375 58.98923.673 1.00 0.00 ATOM 152 CD PRO 1442 26.284 57.61924.322 1.00 0.00 ATOM 153 N TYR 1443 23.320 56.90421,920 1.00 0.00 ATOM 154 CA TYR 1443 22.768 56.66220.599 1.00 0.00 ATOM 155 C TYR 1443 21.309 56.2032D.615 1.00 0.00 ATOM 156 O TYR 1443 20.947 55.06020.353 1.00 0.00 ATOM 157 CB TYR 1443 23.784 55.79119.828 1.00 0.00 ATOM 158 CG TYR 1443 25.192 56.2892D.146 1.00 0.00 ATOM 159 CD1TYR 1443 25.596 57.57219.711 1.00 0.00 ATOM 160 CD2TYR 1443 26.050 55.48220.928 1.00 0.00 ATOM 161 CElTYR 1443 26.811 58.10720.178 1.00 0.00 ATOM 162 CE2TYR 1443 27.277 56.01021.378 1.00 0.00 ATOM 163 CZ TYR 1443 27.610 57.34421.057 1.00 0.00 ATOM 164 OH TYR 1443 28.705 57.95221.661 1.00 0.00 ATOM 165 H TYR 1443 23.912 56.24722.377 1.00 0.00 ATOM 166 HH TYR 1443 29.423 57.31221.617 1.00 0.00 ATOM 167 N VAL 1444 20.500 57.22520.940 1.00 0.00 ATOM 168 CA VAL 1444 19.027 57.19020.917 1.00 0.00 ATOM 169 C VAL 1444 18.253 55.86721.029 1.00 0.00 ATOM 170 O VAL 1444 17.637 55.35920.079 1.00 0.00 ATOM 171 CB VAL 1444 18.488 58.05019.754 1.00 0.00 ATOM 172 CG1VAL 1444 17.028 58.45719.988 1.00 0.00 ATOM 173 CG2VAL 1444 19.350 59.29419.511 1.00 0.00 ATOM 174 H VAL 1444 20.984 58.05721.205 1.00 0.00 ATOM 175 N LEU 1445 18.238 55.39222.276 1.00 0.00 ATOM 176 CA LEU 1445 17.191 54.52822.805 1.00 0.00 ATOM 177 C LEU 1445 17.003 53.17822.162 1.00 0.00 ATOM 178 O LEU 1445 16.267 52.98221.190 1.00 0.00 ATOM 179 CB LEU 1445 15.861 55.27822.942 1.00 0.00 ATOM 180 CG LEU 1445 15.926 56.36324.020 1.00 O.OD

ATOM 181 CD1LEU 1445 14.686 57.25724.009 1.00 0.00 ATOM 182 CD2LEU 1445 16.190 55.76825.405 1.00 0.00 ATOM 183 H LEU 1445 19.012 55.68222.834 1.00 0.00 ATOM 184 N PHE 1446 17.667 52.24322.863 1.00 0.00 ATOM 185 CA PHE 1446 17.499 50.79222.711 1.00 0.00 ATOM 186 C PHE 1446 16.341 50.24921.880 1.00 0.00 ATOM 187 O PHE 1446 15.163 50.17422.243 1.00 0.00 ATOM 188 CB PHE 1446 17.601 50.08624.075 1.00 0.00 ATOM 189 CG PHE 1446 16.942 50.87225.190 1.00 0.00 ATOM 190 CD1PHE 1446 17.754 51.62626.066 1.00 0.00 ATOM 191 CD2PHE 1446 15.539 50.83825.347 1.00 0.00 ATOM 192 CElPHE 1446 17.159 52.35327.115 1.00 0.00 ATOM 193 CE2PHE 1446 14.941 51.56526.395 1.00 0.00 ATOM 194 CZ PHE 1446 15.758 52.31427.269 1.00 0.00 ATOM 195 H PHE 1446 18.393 52.61523.444 1.00 0.00 ATOM 196 N LYS 1447 16.779 49.84020.674 1.00 0.00 ATOM 197 CA LYS 1447 15.885 49.28719.6'571.00 0.00 ATOM 198 C LYS 1447 16.685 48.58318.569 1.00 O.OD

SUBSTITUTE SHEET (RULE 26) ATOM 199 O LYS 1 447 17.061 49.213 17.5891.00 0.00 ATOM 200 CB LYS 1 447 15.052 50.424 19.0411.00 0.00 ATOM 201 CG LYS 1 447 13.626 50.082 18.5891.00 0._00 ATOM 202 CD LYS 1 447 13.453 49.205 17.34.11.00 0.00 ATOM 203 CE LYS 1 447 13.982 49:807 16.0311.00 0.00 ATOM 204 NZ LYS 1 447 15.345 49.332 15.7811.00 0.00 205 _ LYS 1 447 17.753 49.971 20.4741.00 0.00 H
-ATOM 206 HZ LYS 1 447 15.427 48.333 16.0521.00 0.00 ATOM 207 LYS 1 447 15-.621 49.376 14.7811.00 0.00 ATOM 208 LYS 1 447 16.055 49.850 16.3351.00 0.00 ATOM N LYS 1 448 16.922 47.273 18.7501.00 0.00 ATOM 209 LYS 1 448 628 46.529 17.6961.00 0.00 ATOM 210 CA LYS 1 448 . 46.428 16.3891.00 0.00 16.842 ATOM 211 C LYS 1 448 635 46.656 16.3391.00 0.00 ATOM 212 O LYS 1 448 . 45.121 18.1991.00 0.00 ATOM 213 CB 1 448 . 956 18.7621.00 0.00 ATOM 214 CG LYS . . 17.6631.00 0.00 ATOM 215 CD LYS 1 448 . . 082 1 00 ATOM 216 CE LYS 1 448 21.961 45.141 . . .

217 NZ LYS 1 448 22.795 45.329 16.8851.00 0.00 ATOM 218 H LYS 1 448 16.473 46.795 19.5041.00 0.00 ATOM 219 LYS 1 448 22.871 44.446 16.3421.00 0.00 ATOM 220 LYS 1 448 22.369 46.042 16.2561.00 0.00 ATOM 221 LYS 1 448 23.770 45.603 17.1211.00 0.00 ATOM 222 N SER 1 449 17.589 46.066 15.3421.00 0.00 ATOM 223 CA SER 1 449 16.982 45.670 14.0651.00 0.00 ATOM C SER 1 449 17.880 44.735 13.2611.00 0.00 ATOM 224 SER 1 449 806 44.644 12.0361.00 0.00 ATOM 225 O SER 1 449 . 46.882 13.1861.00 0.00 ATOM 226 CB SER 1 449 . 48.091 13.9701.00 0.00 ATOM 227 OG SER 1 449 . 46.234 15.3801.00 0.00 ATOM 228 H SER 1 449 . 48.259 14.1821.00 0.00 ATOM 229 HG 1 450 . 051 14.0081.00 0.00 ATOM 230 N ASP . . 13.3641.00 0.00 ATOM 231 CA ASP 1 . . 12.5181.00 0.00 ATOM 232 C ASP 1 450 . .

ATOM 233 O ASP 1 450 19.835 41.013 12.9111.00 0.00 ATOM 234 CH ASP 1 450 21.009 43.091 14.3831.00 0.00 ATOM 235 CG ASP 1 450 22.343 43.743 14.0301.00 0.00 ATOM 236 OD1ASP 1 450 23.246 43.666 14.8551.00 0.00 ATOM 237 OD2ASP 1 450 22.496 44.333 12.9611.00 0.00 ATOM 238 H ASP 1 450 18.693 44.094 14.9991.00 0.00 ATOM 239 N LYS 1 451 19.209 42.448 11.2851.00 0.00 ATOM 240 CA LYS 1 451 19.489 41.590 10.1321.00 0.00 ATOM 241 C LYS 1 451 20.968 41.225 10.0951.00 0.00 ATOM 242 O LYS 1 451 21.794 42.104 10.3381.00 0.00 ATOM 243 CB LYS 1 451 19.069 42.321 8.835 1.00 0.00 ATOM 244 CG LYS 1 451 19.845 43.600 8.444 1.00 0.00 ATOM 245 CD LYS 1 451 19.617 44.819 9.350 1.00 0.00 ATOM 246 CE LYS 1 451 20.881 45.542 9.835 1.00 0.00 ATOM 247 NZ LYS 1 451 21.822 44.664 10.5511.00 0.00 ATOM 248 H LYS 1 451 18.751 43.322 11.1551.00 0.00 ATOM 249 1HZLYS 1 451 22.220 43.888 9.980 1.00 0.00 ATOM 250 2HZLYS 1 451 22.639 45.223 10.8591.00 0.00 ATOM 251 3HZLYS 1 451 21.482 44.255 11.4431.00 0.00 ATOM 252 N PRO 1 452 21.274 39.939 9.810 1.00 0.00 ATOM 253 CA PRO 1 452 22.657 39.447 9.917 1.00 0.00 ATOM 254 C PRO 1 452 23.690 40.087 8.993 1.00 0.00 ATOM 255 O PRO 1 452 24.892 39.921 9.170 1.00 0.00 ATOM 256 CB PRO 1 452 22.496 37.936 9.708 1.00 0.00 ATOM 257 CG PRO 1 452 21.211 37.774 8.900 1.00 0.00 ATOM 258 CD PRO 1 452 20.332 38.887 9.454 1.00 0.00 ATOM 259 N LEU 1 453 23.191 40.842 8.000 1.00 0.00 ATOM 260 CA LEU 1 453 24.118 41.808 7,.4211.00 0.00 ATOM 261 C LEU 1 453 24.117 43.067 8.268 1.00 0.00 ATOM 262 O LEU 1 453 23.063 43.664 8.484 1.00 0.00 ATOM 263 CB LEU 1 453 23.724 42.119 5.974 1.00 0.00 ATOM 264 CG LEU 1 453 24.708 43.039 5.241 1.00 0.00 ATOM 265 CD 1 LEU 1 26.102 42.419 5.121 1.00 0.00 SUBSTITUTE SHEET (RULE 26) T

ATOM 266 CD2 LEU1 483 24.160 43.485 3.886 1.000.00 ATOM 267 H LEU1 453 22.211 40.846 7.808 1.000.00 ATOM 268 N TYR1 454 25.329 43.427 8.730 1.000._00 ATOM 269 CA TYR1 454 25.478 44.528 9.695 1.000.00 ATOM 270 C TYR1 454 24.631 45.786 - 9.4871.000.00 ATOM 271 O TYR1 454 23.898 46.188 10.391 1.000.00 ATOM 272 _ TYR1 454 26.962 44.829 9.991 1.000.00 CB
-ATOM 273 CG TYR1 454 27.729 45.364 8.800 1.000.00 ATOM 274 CDl TYR1 454 28.152 44.479 7.785 1.000.00 ATOM 275 CD2 TYR1 454 28.016 46.743 8.748 1.000.00 ATOM 276 CEl TYR1 454 28.868 44.985 6.688 1.000.00 ATOM 277 CE2 TYR1 454 28.735 47.250 7.654 1.000.00 ATOM 278 CZ TYR1 454 29.146 46.366 6.636 1.000.00 ATOM 279 OH TYR1 454 29.831 46.879 5.548 1.000.00 ATOM 280 H TYR1 454 26.065 42.779 8.535 1.000.00 ATOM 281 HH TYR1 454 30.640 47.262 5.894 1.000.00 ATOM 282 N GLY1 455 24.681 46.322 8.248 1.000.00 ATOM 283 CA GLY1 455 23.647 47.259 7.782 1.000.00 ATOM 284 C GLY1 455 23.288 48.432 8.689 1.000.00 ATOM 285 O GLY1 458 24.019 48.788 9.613 1.000.00 ATOM 286 H GLY1 455 25.419 46.012 7.648 1.000.00 ATOM 287 N ASN1 456 22.123 49.025 8.387 1.000.00 ATOM 288 CA ASN1 456 21.833 50.251 9.139 1.000.00 ATOM 289 C ASN1 456 21.053 50.088 10.423 1.000.00 ATOM 290 O ASN1 456 20.036 50.736 10.675 1.000.00 ATOM 291 CB ASN1 456 21.223 51.325 8.236 1.000.00 ATOM 292 CG ASN1 456 22.366 52.002 7.514 1.000.00 ATOM 293 OD1 ASN1 456 23.364 51.381 7.172 1.000.00 ATOM 294 ND2 ASN1 456 22.227 53.321 7.365 1.000.00 ATOM 295 H ASN1 456 21.593 48.740 7.592 1.000.00 ATOM 296 1HD2ASN1 456 23.042 53.793 7.015 1.000.00 ATOM 297 2HD2ASN1 456 21.416 53.865 7.573 1.000.00 ATOM 298 N ASP1 457 21.581 49.161 11.228 1.000.00 ATOM 299 CA ASP1.457 21.077 49.019 12.587 1.000.00 ATOM 300 C ASP1 457 21.906 49.828 13.563 1.000.00 ATOM 301 O ASP1 457 23.113 50.011 13.396 1.000.00 ATOM 302 CB ASP1 457 21.032 47.544 13.006 1.000.00 ATOM 303 CG ASP1 457 20.298 47.378 14.326 1.000.00 ATOM 304 OD1 ASP1 457 20.704 46.551 15.134 1.000.00 ATOM 305 OD2 ASP1 457 19.316 48.080 14.557 1.000.00 ATOM 306 H ASP1 457 22.468 48.789 10.968 1.000.00 ATOM 307 N ARG1 458 21.185 50.326 14.575 1.000.00 ATOM 308 CA ARG1 458 21.756 51.237 15.560 2.000.00 ATOM 309 C ARG1 458 22.887 50.633 16.369 1.000.00 ATOM 310 O ARG1 458 22.698 49.911 17.342 1.000.00 ATOM 311 CB ARG1 458 20.621 51.755 16.451 1.000.00 ATOM 312 CG ARG1 458 20.970 52.868 17.446 1.000.00 ATOM 313 CD ARG1 458 20.934 52.394 18.902 1.000.00 ATOM 314 NE A2G1 458 22.274 52.174 19.447 1.000.00 ATOM 315 CZ ARG1 458 22.528 52.312 20.772 1.000.00 ATOM 316 NH1 ARG1 458 23.775 52.156 21.205 1.000.00 ATOM 317 NH2 ARG1 458 21.545 52.578 21.631 1.000.00 ATOM 318 H ARG1 458 20.291 49.908 14.714 1.000.00 ATOM 319 HE ARG1 458 23.025 51.873 18.851 1.000.00 ATOM 320 1HH1ARG1 458 24,539 52.170 20.548 1.000.00 ATOM 321 2HH1ARG1 458 23.971 52.020 22.183 1.000.00 ATOM 322 1HH2ARG1 45H 21.733 52.667 22.616 1.000.00 ATOM 323 2HH2ARG1 458 20.600 52.655 21.308 1.000.00 ATOM 324 N PHE1 459 24.093 50.987 15.937 i.000.00 ATOM 325 CA PHE1 459 25.211 50.757 16.842 1.000.00 ATOM 326 C PHE1 459 25.494 52.044 17.589 1.000.00 ATOM 327 O PHE1 459 25.107 52.202 18.751 1.000.00 ATOM 328 CB PHE1 459 26.424 50.202 16.081 1.000.00 ATOM 329 CG PHE1 459 26.018 48.996 15.259 1.000.00 ATOM 330 CD1 PHE1 459 26.017 49.096 13.850 1.000.00 ATOM 331 CD2 PHE1 459 25.641 47.796 15.903 1.000.00 ATOM 332 CE1 PHE1 459 25.624 47.988 13.074 1.000.00 gl SUBSTITUTE SHEET (RULE 26) ATOM 333 CE2 PHE 25.249 46.68715.129 1.000.00 ATOM 334 CZ PHE 25.240 46.79513.723 1.000.00 ATOM 335 H PHE 24.157 51.52.215.097 1.000_.00 ATOM 336 N GLU 26.069 52.99216.816 1.000.00 ATOM 337 CA GLU 460 26.318 54:33517.332 1.000.00 ATOM 338 C GLU 460 26.015 55.45116.314 1.000.00 ATOM 339 O'- GLU 460 25.295 55.18515.352 1.000.00 ATOM 340 CB GLU 460 27.650 54.37118.109 1.000.00 ATOM 341 CG GLU 460 28.991 54.65017.432 1.000.00 ATOM 342 CD GLU 460 29.593 55.84018.158 1.000.00 ATOM 343 OE1 GLU 460 28.923 56.85018.264 1.000.00 ATOM 344 OE2 GLU 460 30.723 55.79318.622 1.000.00 ATOM 345 H GLU 460 26.290 52.81115.859 1.000.00 ATOM 346 N GLY 461 26.466 56.69516.584 1.000.00 ATOM 347 CA GLY 461 25.962 57.84415.814 1.000.00 ATOM 348 C GLY 461 27.014 58.89815.473 I.DO0.00 ATOM 349 O GLY 461 27.321 59.18914.312 1.000.00 ATOM 350 H GLY 461 27.152 56.87117.292 1.000.00 ATOM 351 N TYR 462 27.595 59.43516.570 1.000.00 ATOM 352 CA TYR 462 28.710 60.37316.414 1.000.00 ATOM 353 C TYR 462 29.918 59.72915.764 1.000.00 ATOM 354 O TYR 462 30.716 60.35415.063 1.000.00 ATOM 355 CB TYR 462 29.074 60.99717.771 1.000.00 ATOM 356 CG TYR 462 30.079 62.12317.618 1.000.00 ATOM 357 CD1 TYR 462 31.386 61.95018.122 1.000.00 ATOM 358 CD2 TYR 462 29.685 63.31616.978 1.000.00 ATOM 359 CE1 TYR 462 32.317 62.99617.985 1.000.00 ATOM 360 CE2 TYR 462 30.614 64.35816.841 1.000.00 ATOM 361 CZ TYR 462 31.918 64.18817.346 1.000.00 ATOM 362 OH TYR 462 32.832 65.22317.202 1.000.00 ATOM 363 H TYR 462 27.418 58.98017.440 1.000.00 ATOM 364 HH TYR 462 32.507 65.83716.547 1.000.00 ATOM 365 N CYS 463 29.986 58.41316.006 1.000.00 ATOM 366 CA CYS 463 30.912 57.66815.179 1.000.00 ATOM 367 C CYS 463 30.295 56.84614.073 1.000.00 ATOM 368 O CYS 463 30.993 56.27813.244 1.000.00 ATOM 369 CB CYS 463 31.914 56.88216.009 1.000.00 ATOM 370 SG CYS 463 32.876 57.99117.077 1.000.00 ATOM 371 H CYS 463 29.406 57.96016.679 1.000.00 ATOM 372 N LEU 464 28.959 56.85713.992 1.000.00 ATOM 373 CA LEU 464 28.435 56.43812.685 1.000.00 ATOM 374 C LEU 464 28.868 57.37411.562 1.000.00 ATOM 375 O LEU 464 29.049 56.99110.410 1.000.00 ATOM 376 CB LEU 464 5.913 56.27212.718 1.000.00 ATOM 377 CG LEU 464 X5.271 55.63611.480 1.000.00 ATOM 378 CD1 LEU 464 ::6.795 54.22611.200 1.000.00 ATOM 379 CD2 LEU 464 24.745 55.66011.577 1.000.00 ATOM 380 H LEU 464 26.395 57.27314.702 1.000.00 ATOM 381 N ASP 465 29 063 58.64711.954 1.000.00 ATOM 382 CA ASP 465 29.816 59.48211.028 1.000.00 ATOM 383 C ASP 465 31.322 59.50811.249 1.000.00 ATOM 384 O ASP 465 32.080 59.56610.286 1.000.00 ATOM 385 CB ASP 465 29.218 60.89110.934 1.000.00 ATOM 386 CG ASP 465 29.255 61.61512.264 1.000.00 ATOM 387 OD1 ASP 465 28.242 61.64012.958 1.000.00 ATOM 388 OD2 ASP 465 30.285 63.19212.603 1.000.00 ATOM 389 H ASP 465 28.793 59.01712.849 1.000.00 ATOM 390 N LEU 466 31.739 59.47212.531 1.000.00 ATOM 391 CA LEU 466 33.189 59.45912.730 1.000.00 ATOM 392 C LEU 466 33.908 58.22112.225 1.000.00 ATOM 393 O LEU 466 34.692 58.31711.292 1.000.00 ATOM 394 CB LEU 466 33.591 59.78714.168 1.000.00 ATOM 395 CG LEU 466 34.824 60.68114.283 1.000.00 ATOM 396 CD1 466 34.586 62.05013.643 1.000.00 LEU

ATOM 397 CD2 466 35.291 60.80515.734 1.000.00 LEU

ATOM 398 H LEU 31.061 59.69113.236 1.000.00 ATOM 399 N LEU 33.628 57.05912.836 1.000.00 SUBSTITUTE SHEET (RULE 26) ATOM 400 CA LEU1 467 34.318 55.802 12.5161.00 0.00 ATOM 401 C LEU1 467 34.431 55.466 11.0331.00 0.00 ATOM 402 O LEU1 467 35.434 54.937 10.5441.00 0.00 ATOM 403 CB LEU1 467 33.647 54.684 13.3301.00 0.00 ATOM 404 CG LEU1 467 34.067 53.242 13.0591.00 0.00 ATOM 405 CD1 LEU1 467 34.199 52.443 14.3511.00 0.00 ATOM 406 CD2-LEU1 467 33.148 52.552 12.0491.00 0.00 ATOM 407 H LEU1 467 32.874 57.017 13.4871.00 0.00 ATOM 408 N ARG1 468 33.344 55.825 10.3251.00 0.00 ATOM 409 CA ARG1 468 33.392 55.682 8.871 1.00 0.00 ATOM 410 C ARG1 468 34.526 56.471 8.234 1.00 0.00 ATOM 411 O ARG1 468 35.390 55.933 7.543 1.00 0.00 ATOM 412 CB ARG1 468 32.051 56.054 8.247 1.00 0.00 ATOM 413 CG ARG1 468 31.581 55.039 7.200 1.00 0.00 ATOM 414 CD ARG1 468 30.537 55.596 6.221 1.00 0.00 ATOM 415 NE ARG1 468 31.178 56.359 5.145 1.00 0.00 ATOM 416 CZ ARG1 468 31.359 57.696 5.241 1.00 0.00 ATOM 417 NH1 ARG1 468 32.095 58.314 4.327 1.00 0.00 ATOM 418 NH2 ARG1 468 30.836 58.394 6.250 1.00 0.00 ATOM 419 H ARG1 468 32.632 56.345 10.7971.00 0.00 ATOM 420 HE ARG1 468 31.657 55.812 4.448 1.00 0.00 ATOM 421 1881ARG1 468 32.383 59.268 4.504 1.00 0.00 ATOM 422 2881ARG1 468 32.454 57.882 3.501 1.00 0.00 ATOM 423 1882ARG1 468 30.977 59.394 6.267 1.00 0.00 ATOM 424 2882ARG1 468 30.348 57.961 7.013 1.00 0.00 ATOM 425 N GLU1 469 34.555 57.766 8.560 1.00 0.00 ATOM 426 CA GLU1 469 35.677 58.544 8.052 1.00 0.00 ATOM 427 C GLU1 469 37.029 58.208 8.690 1.00 0.00 ATOM 428 O GLU1 469 38.083 58.416 8.105 1.00 0.00 ATOM 429 CB GLU1 469 35.366 60.049 8.063 1.00 0.00 ATOM 430 CG GLU1 469 33.927 60.477 7.689 1.00 0.00 ATOM 431 CD GLU1 469 33.465 60.204 6.254 1.00 0.00 ATOM 432 OE1 GLU1 469 34.169 59.617 5.449 1.00 0.00 ATOM 433 OE2 GLU1 469 32.344 60.562 5.910 1.00 0.00 ATOM 434 H GLU1 469 33.874 58.176 9.168 1.00 0.00 ATOM 435 N LEU1 470 36.994 57.600 9.889 1.00 0.00 ATOM 436 CA LEU1 470 38.250 57.067 10.4361.00 0.00 ATOM 437 C LEU1 470 38.776 55.846 9.692 1.00 0.00 ATOM 438 O LEU1 470 39.864 55.312 9.909 1.00 0.00 ATOM 439 CB LEU1 470 38.092 56.763 11.9241.00 0.00 ATOM 440 CG LEU1 470 37.965 58.019 12.7821.00 0.00 ATOM 441 CD1 LEU1 470 37.542 57.695 14.2121.00 0.00 ATOM 442 CD2 LEU1 470 39.254 58.833 12.7621.00 0.00 ATOM 443 H LEU1 470 36.101 57.426 10.3081.00 0.00 ATOM 444 N SER1 471 37.937 55.386 8.764 1.00 0.00 ATOM 445 CA SER1 471 38.437 54.432 7.793 1.00 0.00 ATOM 446 C SER1 471 38.981 55.060 6.517 1.00 0.00 ATOM 447 O SER1 471 39.891 54.526 5.898 1.00 0.00 ATOM 448 C8 SER1 471 37.343 53.416 7.504 1.00 0.00 ATOM 449 OG SER1 471 37.138 52.609 8.665 1.00 0.00 ATOM 450 H SER1 471 37.018 55.774 8.695 1.00 0.00 ATOM 451 HG SER1 471 36.418 53.035 9.140 1.00 0.00 ATOM 452 N THR1 472 38.386 56.200 6.149 1.00 0.00 ATOM 453 CA THR1 472 38.632 56.782 4.831 1.00 0.00 ATOM 454 C THR1 472 39.949 57.549 4.615 1.00 0.00 ATOM 455 O THR1 472 40.156 58.190 3.585 1.00 0.00 ATOM 456 CB THR1 472 37.352 57.555 4.409 1.00 0.00 ATOM 457 OGl THR1 472 36.986 57.286 3.044 1.00 0.00 ATOM 458 CG2 THR1 472 37.389 59.059 4.709 1.00 0.00 ATOM 459 H THR1 472 37.741 56.694 6.735 1.00 0.00 ATOM 460 HG1 THR1 472 37.003 56.337 2.964 1.00 0.00 ATOM 461 N ILE1 473 40.862 57.437 5.592 1.00 0.00 ATOM 462 CA ILE1 473 42.235 57.795 5.232 1.00 0.00 ATOM 463 C ILE1 473 43.166 56.589 5.161 1.00 0.00 ATOM 464 O ILE1 473 43.824 56.337 4.160 1.00 0.00 ATOM 465 CB ILE1 473 42.764 58.961 6.084 1.00 0.00 ATOM 466 CG1 ILE1 473 44.192 59.367 5.699 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 467 CG2ILE 473 42.651 58.629 7.566 1.00 0.00 ATOM 468 CD1ILE 473 44.698 60.592 6.462 1.00 0.00 469 H ILE 473 40.628 57.026 6.465 1.00 0.00 ATOM LEU 474 140 55.737 6.2Q4 1.00 0.00 ATOM 470 N LEU 474 . 54.455 5.924 1.00 0.00 ATOM 471 CA 1 474 . 464 5.287 1.00 0.00 ATOM 472 C LEU . . 5.967 1.00 0.00 ' 187 678 ATOM 473 O LEU 474 . . 152 00 00 ATOM 474 CB LEU 474 44.479 53.851 . . .

475 CG LEU 474 45.446 52.726 6.752 1.00 0.00 ATOM 7 CD1LEU 474 46.601 53.248 5.895 1.00 0.00 ATOM 4 LEU 474 45 51.916 7.948 1.00 0.00 ATOM 477 CD2 474 . 012 7.065 1.00 0.00 ATOM 478 H LEU . . 3.953 1.00 0.00 ATOM 479 N GLY 475 . . 155 00 0.00 ATOM 480 CA GLY 475 41.694 52.93 . .

ATOM 481 C GLY 475 41.140 51.576 3.568 1.00 0.00 ATOM 482 O GLY 475 41.510 50.534 3.033 1.00 0.00 ATOM 483 H GLY 475 43.313 54.312 3.568 1.00 0.00 ATOM 484 N PHE 476 40.189 51.661 4.504 1.00 0.00 ATOM 485 CA PHE 476 39.508 50.467 4.977 1.00 0.00 ATOM 486 C PHE 476 38.024 50.709 5.165 1.00 0.00 ATOM 487 O PHE 476 37.479 51.792 4.977 1.00 0.00 ATOM 488 CB PHE 476 40.109 49.990 6.311 1.00 0.00 ATOM 489 CG PHE 476 41.333 49.128 6.104 1.00 0.00 ATOM 490 CD1PHE 476 42.606 49.637 6.441 1.00 0.00 ATOM 491 CD2PHE 476 41.181 47.819 5.595 1.00 0.00 ATOM 492 CE1PHE 476 43.744 48.825 6.274 1.00 0.00 ATOM 493 CE2PHE 476 42.319 47.005 5.427 1.00 0.00 ATOM 494 CZ PHE 476 43.588 47.516 5.772 1.00 0.00 ATOM 495 H PHE 476 39.998 52.542 4.943 1.00 0.00 ATOM 496 N THR 477 37.400 49.624 5.620 1.00 0.00 ATOM 497 CA THR 477 36.155 49.827 6.326 1.00 0.00 ATOM 498 C THR 477 36.179 49.050 7.628 1.00 O.OD

ATOM 499 O THR 477 36.128 47.819 7.665 1.00 0.00 ATOM 500 CB THR 477 34.936 49.532 5.429 1.00 0.00 ATOM 501 OG1THR 477 33.732 49.936 6.097 1.00 0.00 ATOM 502 CG2THR 477 34.841 48.095 4.902 1.00 0.00 ATOM 503 H THR 477 37.824 48.724 5.664 1.00 0.00 ATOM 504 HG1THR 477 33.555 49.248 6.740 1.00 0.00 ATOM 505 N TYR 478 36.264 49.860 8.701 1.00 0.00 ATOM 506 CA TYR 478 36.012 49.356 10.0481.00 0.00 ATOM 507 C TYR 478 34.617 48.753 10.1331.00 0.00 ATOM 508 O TYR 478 33.791 46.903 9.222 1.00 0.00 ATOM 509 CB TYR 36.049 50.449 11.1281.00 0.00 ATOM 510 CG TYR 478 37.307 51.275 11.3421.00 0.00 ATOM 511 CDl 38.582 50.952 10.8221.00 0.00 TYR

ATOM 512 CD2TYR 37.113 52.423 12.1301.00 0.00 ATOM 513 CE1 39.665 51.822 11.0871.00 0.00 TYR

ATOM 514 CE2 38.183 53.278 12.4041.00 0.00 TYR

ATOM 515 CZ TYR 39.448 52.979 11.873I.00 0.00 ATOM 516 OH TYR 40.479 53.871 12.1551.00 0.00 ATOM 517 H TYR 36.289 50.853 8.591 1.00 0.00 ATOM 518 HH TYR 40.091 54.550 12.7201.00 0.00 ATOM 519 N GLU 34.423 48.052 11.2541.00 0.00 ATOM 520 CA GLU 33.132 47.420 11.4341.00 0.00 ATOM 521 C GLU 32.405 47.978 12.6271.00 0.00 ATOM 522 O GLU 32.655 47.672 13.7951.00 0.00 ATOM 523 CB GLU 1 479 33.235 45.899 11.4871.00 0.00 ATOM 524 CG GLU 1 479 31.895 45.241 11.1441.00 0.00 ATOM 525 CD GLU 1 479 31.616 45.311 9.653 1.00 0.00 ATOM 526 OE1 1 479 31.570 46.394 9.076 1.00 0.00 GLU

ATOM 527 OE2 1 479 31.453 44.256 9.055 1.00 0.00 GLU

ATOM 528 H GLU 1 479 35.076 48.036 12.0121.00 0.00 ATOM 529 N ILE 1 480 31.493 48.900 12.2651.00 0.00 ATOM 530 CA ILE 1 480 30.654 49.499 13.3061.00 0.00 ATOM 531 C ILE 1 480 29.576 48.548 13.7931.00 0.00 ATOM 532 O ILE 1 480 28.825 47.963 12.9961.00 0.00 ATOM 533 CB ILE 1 480 30.115 50.881 12.8981.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 534 CGI ILE1 480 29.472 51.58214.0981.00 0.00 ATOM 535 CG2 ILE1 480 29.160 50.80911.6981.00 0.00 ATOM 536 CDl ILE1 480 29.278 53.07913.8881.00 0_.00 ATOM 537 H ILE1 480 31.368 49.10311.2941.00 0.00 ATOM 538 N ARG1 481 29.593 48:312-15.0981.00 0.00 ATOM 539 CA ARG1 481 29.201 46.99215.5541.00 0.00 ATOM 540 C ARG1 481 29.189 46.98117.0601.00 0.00 --ATOM 541 O ARG1 481 29.570 47.93617.7431.00 0.00 ATOM 542 CB ARG1 481 30.224 45.96715.0481.00 0.00 ATOM 543 CG ARG1 481 29.695 44.57514.7261.00 0.00 ATOM 544 CD ARG1 481 30.859 43.65714.3831.00 0.00 ATOM 545 NE ARG1 481 30.388 42.30614.1201.00 0.00 ATOM 546 CZ ARG1 481 31.213 41.36513.6281.00 0.00 ATOM 547 NH1 ARGI 481 30.726 40.15013.4421.00 0.00 ATOM 548 NH2 ARG1 481 32.478 41.63713.3201.00 0.00 ATOM 549 H ARG1 481 30.106 48.90915.7091.00 0.00 ATOM 550 HE ARG1 481 29.419 42.10714.2901.00 0.00 ATOM 551 1HH1ARG1 481 31.308 39.43213.0471.00 0.00 ATOM 552 2HH1ARG1 481 29.791 39.90413.6881.00 0.00 ATOM 553 1HH2ARG1 481 33.096 40.89612.9931.00 0.00 ATOM 554 2HH2ARG1 481 32.914 42.53113.4231.00 0.00 ATOM 555 N LEU1 482 28.778 45.81317.5651.00 0.00 ATOM 556 CA LEU1 482 29.324 45.28018.8091.00 0.00 ATOM 557 C LEU1 482 29.353 43.78618.6081.00 0.00 ATOM 558 O LEU1 482 28.469 43.29017.9041.00 0.00 ATOM 559 CB LEU1 482 28.450 45.62120.0321.00 0.00 ATOM 560 CG LEU1 482 26.989 45.12620.0871.00 0.00 ATOM 561 CD1 LEU1 482 26.470 45.12421.5251.00 0.00 ATOM 562 CD2 LEU1 482 26.025 45.89519.1781.00 0.00 ATOM 563 H LEU1 482 28.335 45.17116.9371.00 0.00 ATOM 564 N VAL1 483 30.285 43.08019.2601.00 0.00 ATOM 565 CA VAL1 483 29.796 41.73819.5841.00 0.00 ATOM 566 C VAL1 483 28.855 41.77120.7891.00 0.00 ATOM 567 O VAL1 483 27.666 41.44720.7111.00 0.00 ATOM 568 CB VAL1 483 30.937 40.70319.6851.00 0.00 ATOM 569 CG1 VAL1 483 31.448 40.39418.2751.00 0.00 ATOM 570 CG2 VAL1 483 32.097 41.09820.6081.00 0.00 ATOM 571 H VAL1 483 31.081 43.51519.6781.00 0.00 ATOM 572 N GLU1 484 29.420 42.32521.8731.00 0.00 ATOM 573 CA GLU1 484 28.659 42.54723.0921.00 0.00 ATOM 574 C GLU1 484 29.310 43.70523.8411.00 0.00 ATOM 575 O GLU1 484 30.430 44.09023.5061.00 0.00 ATOM 576 CB GLU1 484 28.565 41.22323.8691.00 0.00 ATOM 577 CG GLU1 484 27.221 40.97224.5751.00 0.00 ATOM 578 CD GLU1 484 27.083 39.50224.9581.00 0.00 ATOM 579 OE1 GLU1 484 26.700 38.70624.1091.00 0.00 ATOM 580 OE2 GLU1 484 27.343 39.13226.1001.00 0.00 ATOM 581 H GLU1 484 30.379 42.59821.8431.00 0.00 ATOM 582 N ASP1 485 28.527 44.25324.8011.00 0.00 ATOM 583 CA ASP1 485 28.693 45.55325.4831.00 0.00 ATOM 584 C ASP1 485 30.040 46.25225.3991.00 0.00 ATOM 585 O ASP1 485 31.109 45.66125.5351.00 0.00 ATOM 586 CB ASP1 485 28.207 45.41026.9441.00 0.00 ATOM 587 CG ASP1 485 28.305 46.68727.7741.00 0.00 ATOM 588 OD1 ASP1 485 27.339 47.42027.9031.00 0.00 ATOM 589 OD2 ASP1 485 29.356 46.97828.3181.00 0.00 ATOM 590 H ASP1 485 27.751 43.69425.0901.40 0.00 ATOM 591 N GLY1 486 29.958 47.57725.1771.00 0.00 ATOM 592 CA GLY1 486 31.196 48.35325.0371.00 0.00 ATOM 593 C GLY1 486 32.144 48.47026.2351.00 0.00 ATOM 594 O GLY1 486 33.150 49.18926.1901.00 0.00 ATOM 595 H GLY1 486 29.038 47.96925.0961.00 0.00 ATOM 596 N LYS1 487 31.804 47.76727.3231.00 0.00 ATOM 597 CA LYS1 487 32.516 47.90628.5971.00 0.00 ATOM 598 C LYS1 487 32.823 46.58129.2741.00 0.00 ATOM 599 O LYS1 487 33.950 46.36729.7181.00 0.00 ATOM 600 CB LYS1 487 31.753 48.81229.5691.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 601 CG LYS 1 487 31.429 50.195 29.000 1.00 0.00 ATOM 602 CD LYS 1 487 30.321 50.911 29.770 1.00 0.00 ATOM 603 CE LYS 1 487 29.033 50.084 29.858 1.00 0.00 ATOM 604 NZ LYS 1 487 28.576 49.683 28.528 1.00 0.00 ATOM 605 H LYS 1 487 30.993 47.193 27.248 1.00 0.00 ATOM 606 1HZ LYS 1 487 29.049 50.212 27.773 1.00 0.00 ATOM 607 2HZ - LYS 1 487 28.690 48.659 28.373 1.00 0.00 ATOM 608 3HZ LYS 1 487 27.571 49.907 28.420 1.00 0.00 ATOM 609 N TYR 1 488 31.801 45.687 29.290 1.00 0.00 ATOM 610 CA TYR 1 488 32.098 44.313 29.699 1.00 0.00 ATOM 611 C TYR 1 488 32.845 43.551 28.615 1.00 0.00 ATOM 612 O TYR 1 488 33.699 42.709 28.896 1.00 0.00 ATOM 613 CB TYR 1 488 30.827 43.563 30.208 1.00 0.00 ATOM 614 CG TYR 1 488 30.419 42.415 29.296 1.00 0.00 ATOM 615 CD1 TYR 1 488 29.657 42.709 28.153 1.00 0.00 ATOM 616 CD2 TYR 1 488 30.878 41.104 29.557 1.00 0.00 ATOM 617 CE1 TYR 1 488 29.528 41.738 27.152 1.00 0.00 ATOM 618 CE2 TYR 1 488 30.730 40.121 28.558 1.00 0.00 ATOM 619 CZ TYR 1 488 30.136 40.481 27.329 1.00 0.00 ATOM 620 OH TYR 1 488 30.170 39.619 26.243 1.00 0.00 ATOM 621 H TYR 1 488 30.930 45.872 28.828 1.00 0.00 ATOM 622 HH TYR 1 488 29.339 39.128 26.277 1.00 0.00 ATOM 623 N GLY 1 489 32.461 43.883 27.363 1.00 0.00 ATOM 624 CA GLY 1 489 33.021 43.175 26.218 1.00 0.00 ATOM 625 C GLY 1 489 34.260 43.800 25.616 1.00 0.00 ATOM 626 O GLY 1 489 34.459 43.791 24.406 1.00 0.00 ATOM 627 H GLY 1 489 31.769 44.597 27.232 1.00 0.00 ATOM 628 N ALA 1 490 35.123 44.278 26.531 1.00 0.00 ATOM 629 CA ALA 1 490 36.490 44.601 26.091 1.00 0.00 ATOM 630 C ALA 1 490 37.401 43.374 25.963 1.00 0.00 ATOM 631 O ALA 1 490 38.575 43.402 25.576 1.00 0.00 ATOM 632 CB ALA 1 490 37.125 45.592 27.066 1.00 0.00 ATOM 633 H ALA I 490 34.909 44.177 27.505 1.00 0.00 ATOM 634 N GLN 1 491 36.772 42.230 26.327 1.00 0.00 ATOM 635 CA GLN 1 491 37.344 40.882 26.253 1.00 0.00 ATOM 636 C GLN 1 491 37.960 40.430 24.932 1.00 0.00 ATOM 637 O GLN 1 491 38.601 39.384 24.869 1.00 0.00 ATOM 638 CB GLN 1 491 36.250 39.897 26.684 1.00 0.00 ATOM 639 CG GLN 1 491 35.097 39.821 25.669 1.00 0.00 ATOM 640 CD GLN 1 491 33.853 39.260 26.319 1.00 0.00 ATOM 641 OE1 GLN 1 491 33.236 39.876 27.180 1.00 0.00 ATOM 642 NE2 GLN 1 491 33.467 38.075 25.865 1.00 0.00 ATOM 643 H GLN 1 491 35.831 42.334 26.641 1.00 0.00 ATOM 644 1HE2 GLN 1 491 32.684 37.612 26.280 1.00 0.00 ATOM 645 2HE2 GIN 1 491 33.986 37.750 25.076 1.00 0.00 ATOM 646 N ASP 1 492 37.667 41.211 23.883 1.00 0.00 ATOM 647 CA ASP 1 492 38.033 40.828 22.524 1.00 0.00 ATOM 648 C ASP 1 492 39.495 40.469 22.323 1.00 0.00 ATOM 649 O ASP 1 492 39.848 39.368 21.902 1.00 0.00 ATOM 650 CB ASP 1 492 37.606 41.963 21.591 1.00 0.00 ATOM 651 CG ASP 1 492 37.921 41.652 20.143 1.00 0.00 ATOM 652 OD1 ASP 1 492 37.066 41.118 19.454 1.00 0.00 ATOM 653 OD2 ASP 1 492 39.015 41.965 19.676 1.00 0.00 ATOM 654 H ASP 1 492 37.221 43.091 24.021 1.00 0.00 ATOM 655 N ASP 1 493 40.338 41.475 22.627 1.00 0.00 ATOM 656 CA ASP 1 493 41.707 41.500 22.081 1.00 0.00 ATOM 657 C ASP 1 493 42.532 40.224 22.128 1.00 0.00 ATOM 658 O ASP 1 493 42.669 39.505 21.132 1.00 0.00 ATOM 659 CB ASP 1 493 42.513 42.695 22.628 1.00 0.00 ATOM 660 CG ASP 1 493 43.799 42.889 21.826 1.00 0.00 ATOM 661 OD1 ASP 1 493 43.776 42.763 20.614 1.00 0.00 ATOM 662 OD2 ASP 1 493 44.842 43.151 22.399 1.00 0.00 ATOM 663 H ASP 1 493 39.869 42.306 22.916 1.00 0.00 ATOM 664 N VAL 1 494 43.062 39.967 23.336 1.00 0.00 ATOM 665 CA VAL 1 494 43.909 38.790 23.520 1.00 0.00 ATOM 666 C VAL 1 494 43.119 37.501 23.335 1.00 0.00 ATOM 667 O VAL 1 494 43.628 36.421 23.051 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 668 CB VAL1 494 44.595 38.85224.897 1.00 0.00 ATOM 669 CG1 VAL1 494 45.603 37.71725.112 1.00 0.00 ATOM 670 CG2 VAL1 494 45.262 40.21525.105 1.00 0_.00 ATOM 671 H VAL1 494 42.754 40.53324.094 1.00 0.00 ATOM 672 N ASN1 495 41.797 37.655-23.4801.00 0.00 ATOM 673 CPe ASN1 495 40.938 36.50823.173 1.00 0.00 ATOM 674 C ASN1 495 40.918 36.09321.702 1.00 0.00 ' ATOM 675 O ASN1 495 40.667 34.94121.341 1.00 0.00 ATOM 676 CB ASN1 495 39.532 36.74523.723 1.00 0.00 ATOM 677 CG ASN1 495 38.751 35.45923.700 1.00 0.00 ATOM 678 OD1 ASN1 495 38.966 34.55124.500 1.00 0.00 ATOM 679 ND2 ASN1 495 37.900 35.37422.681 1.00 0.00 ATOM 680 H ASN1 495 41.450 38.59023.590 1.00 0.00 ATOM 681 1HD2ASN1 495 37.473 34.50222.451 1.00 0.00 ATOM 682 2HD2ASN1 495 37.737 36.19622.137 1. 0.00 OD

ATOM 683 N GLY1 496 41.252 37.06920.859 1.00 0.00 ATOM 684 CA GLY1 496 41.492 36.63219.503 1.00 0.00 ATOM 685 C GLY1 496 42.950 36.42319.187 1.00 0.00 ATOM 686 O GLY1 496 43.426 36.87218.156 1.00 0.00 ATOM 687 H GLY1 496 41.434 38.00021.167 1.00 0.00 ATOM 688 N GLN1 497 43.653 35.69120.067 1.00 0.00 ATOM 689 CA GLN1 497 44.992 35.19719.702 1.00 0.00 ATOM 690 C GLN1 497 45.079 34.51718.339 1.00 0.00 ATOM 691 O GLN1 497 46.094 34.50717.654 1.00 0.00 ATOM 692 CB GLN1 497 45.480 34.16620.712 1.00 0.00 ATOM 693 CG GLN1 497 45.906 34.70522.071 1.00 0.00 ATOM 694 CD GLN1 497 46.059 33.53323.013 1.00 0.00 ATOM 695 OE1 GLN1 497 45.681 32.40522.722 1.00 0.00 ATOM 696 NE2 GLN1 497 46.656 33.83524.17D 1.00 0.00 ATOM 697 H GLN1 497 43.214 35.51520.948 1.00 0.00 ATOM 698 1HE2GLN1 497 46.856 33.09824.813 1.00 0.00 ATOM 699 2HE2GLN1 497 46.862 34.79124.370 1.00 0.00 ATOM 700 N TRP1 498 43.962 33.86318.024 1.00 0.00 ATOM 701 CA TRP1 498 43.735 33.39616.665 1.00 0.00 ATOM 702 C TRP1 498 42.494 34.11816.183 1.00 0.00 ATOM 703 O TRP1 498 42.570 35.22115.652 1.00 0.00 ATOM 704 CB TRP1 498 43.708 31.85016.557 1.00 0.00 ATOM 705 CG TRP1 498 43.126 31.12617.762 1.00 0.00 ATOM 706 CD1 TRP1 498 43.717 30.98219.028 1.00 0.00 ATOM 707 CD2 TRP1 498 41.881 30.39617.854 1.00 0.00 ATOM 708 NE1 TRP1 498 42.947 30.23919.864 1.00 0.00 ATOM 709 CE2 TRP1 498 41.800 29.85019.181 1.00 0.00 ATOM 710 CE3 TRP1 498 40.837 3x.15516.936 1.00 0.00 ATOM 711 CZ2 TRP1 498 40.683 29.07619.659 1.00 0.00 ATOM 712 CZ3 TRP1 498 39.?24 29.38117.328 1.00 0.00 ATOM 713 CH2 TRP1 498 39.647 28.84318.631 1.00 0.00 ATOM 714 H TRP1 498 43.137 33.94318.646 1.00 0.00 ATOM 715 HEl TRP1 498 43.187 30.03520.795 1.00 0.00 ATOM 716 N ASN1 499 41.339 33.52716.487 1.00 0.00 ATOM 717 CA ASN1 499 40.160 34.36916.667 1.00 0.00 ATOM 718 C ASN1 499 39.188 33.61917.527 1.00 0.00 ATOM 719 O ASN1 499 38.184 33.09517.054 1.00 0.00 ATOM 720 CB ASN1 499 39.501 34.88115.360 1.00 0.00 ATOM 721 CG ASN1 499 39.552 33.94414.158 1.00 0.00 ATOM 722 OD1 ASN1 499 40.038 34.32213.089 1.00 0.00 ATOM 723 ND2 ASN1 499 39.013 32.73514.345 1.00 0.00 ATOM 724 H ASN1 499 41.300 32.54516.643 1.00 0.00 ATOM 725 1HD2ASN1 499 39.053 32.06413.607 1.00 0.00 ATOM 726 2HD2ASN1 499 38.577 32.50815.215 1.00 0.00 ATOM 727 N GLY1 500 39.576 33.48418.808 1.00 0.00 ATOM 728 CA GLY1 500 38.872 32.48819.614 1.00 0.00 ATOM 729 C GLY1 500 39.227 32.40021.090 1.00 0.00 ATOM 730 O GLY1 500 38.432 32.77821.940 1.00 0.00 ATOM 731 H GLY1 500 40.282 34.05819.231 1.00 0.00 ATOM 732 N MET1 501 40.429 31.84521.360 1.00 0.00 ATOM 733 CA MET1 501 40.922 31.55522.720 1.00 0.00 ATOM 734 C MET1 501 39.997 30.86523.727 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 735 O MET 1 501 40.193 29.692 24.041 1.00 0.00 ATOM 736 CB MET 1 501 41.639 32.755 23.351 1.00 0.00 ATOM 737 CG MET 1 501 42.612 32.348 24.463 1.00 0_00 ATOM 738 SD MET 1 501 43.389 33.750 25.283 1.00 0.00 ATOM 739 CE MET 1 501 41.941 34.364 26.158 1.00 0.00 ATOM 740 H MET 1 501 41.019 31.651 20.580 1.00 0.00 ATOM 741 N ~'VAL 1 502 39.000 31.604 24.240 1.00 0.00 ATOM 742 CA VAL 1 502 37.990 30.868 24.993 1.00 0.00 ATOM 743 C VAL 1 502 36.842 30.363 24.133 1.00 0.00 ATOM 744 O VAL 1 502 36.289 29.293 24.375 1.00 0.00 ATOM 745 CB VAL 1 502 37.492 31.642 26.230 1.00 0.00 ATOM 746 CGI VAL 1 502 38.670 31.961 27.152 1.00 0.00 ATOM 747 CG2 VAL 1 502 36.660 32.888 25.906 1.00 0.00 ATOM 748 H VAL 1 502 38.894 32.564 23.966 1.00 0.00 ATOM 749 N ARG 1 503 36.511 31.181 23.130 1.00 0.00 ATOM 750 CA ARG 1 503 35.560 30.742 22.119 1.00 0.00 ATOM 751 C ARG 1 503 36.250 29.974 21.011 1.00 0.00 ATOM 752 O ARG 1 503 37.450 29.706 21.045 1.00 0.00 ATOM 753 CB ARG I 503 34.785 31.946 21.581 1.00 0.00 ATOM 754 CG ARG 1 503 33.651 32.375 22.513 1.00 0.00 ATOM 755 CD ARG 1 503 32.249 31.999 22.012 1.00 0.00 ATOM 756 NE ARG 1 503 32.045 30.554 21.856 1.00 0.00 ATOM 757 CZ ARG 1 503 30.929 29.938 22.298 1.00 0.00 ATOM 758 NH1 ARG 1 503 30.743 28.655 22.023 1.00 0.00 ATOM 759 NH2 ARG 1 503 30.016 30.608 23.001 1.00 0.00 ATOM 760 H ARG 1 503 37.035 32.018 22.980 1.00 0.00 ATOM 761 HE ARG 1 503 32.700 30.031 21.293 1.00 0.00 ATOM 762 1881 ARG 1 503 29.942 28.132 22.303 1.00 0.00 ATOM 763 2881 ARG 1 503 31.462 28.169 21.495 1.00 0.00 ATOM 764 1882 ARG 1 503 29.198 30.142 23.340 1.00 0.00 ATOM 765 2882 ARG 1 503 30.135 31.580 23.206 1.00 0.00 ATOM 766 N GLU 1 504 35.406 29.583 20.051 1.00 0.00 ATOM 767 CA GLU 1 504 35.890 28.882 18.870 1.00 0.00 ATOM 768 C GLU 1 504 36.237 29.908 17.803 1.00 0.00 ATOM 769 O GLU 1 504 36.469 31.070 18.132 1.00 0.00 ATOM 770 CB GLU 1 504 34.830 27.877 18.387 1.00 0.00 ATOM 771 CG GLU 1 504 34.242 26.925 19.445 1.00 0.00 ATOM 772 CD GLU 1 504 33.187 27.613 20.300 1.00 0.00 ATOM 773 OE1 GLU 1 504 33.185 27.455 21.510 1.00 0.00 ATOM 774 OE2 GLU 1 504 32.342 28.322 19.776 1.00 0.00 ATOM 775 H GLU 1 504 34.459 29.896 20.064 1.00 0.00 ATOM 776 N LEU 1 505 36.223 29.466 16.528 1.00 0.00 ATOM 777 CA LEU 1 505 36.388 30.394 15.404 1.00 0.00 ATOM 778 C LEU 1 505 35.285 31.441 15.301 1.00 0.00 ATOM 779 O LEU 1 505 34.352 31.333 14.505 1.00 0.00 ATOM 780 CB LEU 1 505 36.464 29.611 14.090 1.00 0.00 ATOM 781 CG LEU 1 505 37.611 28.602 13.994 1.00 0.00 ATOM 782 CD1 LEU 1 505 37.354 27.567 12.899 1.00 0.00 ATOM 783 CD2 LEU 1 505 38.968 29.281 13.811 1.00 0.00 ATOM 784 H LEU 1 505 36.120 28.498 16.343 1.00 0.00 ATOM 785 N ILE 1 506 35.429 32.452 16.163 1.00 0.00 ATOM 786 CA ILE 1 506 34.503 33.575 16.182 1.00 0.00 ATOM 787 C ILE 1 506 35.132 34.672 15.342 1.00 0.00 ATOM 788 O ILE 1 506 36.293 34.553 14.981 1.00 0.00 ATOM 789 CB ILE 1 506 34.240 33.971 17.654 1.00 0.00 ATOM 790 CG1 ILE 1 506 33.018 34.878 17.845 1.00 0.00 ATOM 791 CG2 ILE 1 506 35.491 34.581 18.308 1.00 0.00 ATOM 792 CD1 ILE 1 506 32.701 35.170 19.313 1.00 0.00 ATOM 793 H ILE 1 506 36.252 32.443 16.735 1.00 0.00 ATOM 794 N ASP 1 507 34.351 35.708 15.033 1.00 0.00 ATOM 795 CA ASP 1 507 34.816 36.858 14.249 1.00 0.00 ATOM 796 C ASP 1 507 36.113 37.526 14.747 1.00 0.00 ATOM 797 O ASP 1 507 37.209 37.327 14.221 1.00 0.00 ATOM 798 CB ASP 1 507 33.592 37.776 14.228 1.00 0.00 ATOM 799 CG ASP 1 507 33.701 38.921 13.260 1.00 0.00 ATOM 800 OD1 ASP 1 507 34.544 39.786 13.435 1.00 0.00 ATOM 801 OD2 ASP 1 507 32.884 38.995 12.355 1.00 0.00 gg SUBSTITUTE SHEET (RULE 26) r ATOM 802 H ASP 507 33.406 35.688 15.3571.00 0.00 ATOM 803 N ASN 508 35.905 38.287 15.8461.00 0.00 ATOM 804 CA ASN 508 36.941 38.950 16.6361.00 0.00 ATOM 805 C ASN 508 37.554 40.207 16.0031.00 0.00 ATOM 806 O ASN 508 37.442 40.490-14.8161.00 0.00 ATOM 807 CB ASN 508 37.942 37.894 17.1481.00 0.00 ATOM 808 CG- ASN 508 38.984 38.483 18.0671.00 0.00 ATOM 809 OD1 ASN 508 40.075 38.841 17.6291.00 0.00 ATOM 810 ND2 ASN 508 38.612 38.587 19.3421.00 0.00 ATOM 811 H ASN 508 34.972 38.528 16.0981.00 0.00 ATOM 812 ASN 508 39.255 38.836 20.0651.00 0.00 ATOM 813 ASN 508 37.657 38.470 19.6121.00 0.00 ATOM 814 N LYS 809 38.203 40.966 16.8871.00 0.00 ATOM 815 CA LYS 809 38.920 42.208 16.6471.00 0.00 ATOM 816 C LYS 509 38.126 43.497 16.6801.00 0.00 ATOM 817 O LYS 509 38.149 44.300 15.7571.00 0.00 ATOM 818 CB LYS 509 39.976 42.133 15.5321.00 0.00 ATOM 819 CG LYS 509 41.200 42.968 15.9271.00 0.00 ATOM 820 CD LYS 509 41.698 42.604 17.3321.00 0.00 ATOM 821 CE LYS 509 41.887 43.844 18.2061.00 0.00 ATOM 822 NZ LYS 509 41.436 43.564 19.5651.00 0.00 ATOM 823 H LYS 509 38.111 40.738 17.8561.00 0.00 ATOM 824 1HZ LYS 509 42.164 43.009 20.0531.00 0.00 ATOM 825 2HZ LYS 509 41.337 44.473 20.0501.00 0.00 ATOM 826 3HZ LYS 509 40.546 43.027 19.6041.00 0.00 ATOM 827 N ALA 510 37.496 43.688 17.8441.00 0.00 ATOM 828 CA ALA 510 36.833 44.929 18.2471.00 0.00 ATOM 829 C ALA 510 37.482 46.239 17.8521.00 0.00 ATOM 830 O ALA 510 36.809 47.226 17.5881.00 0.00 ATOM 831 CB ALA 510 36.605 44.978 19.7561.00 0.00 ATOM 832 H ALA 510 37.421 42.899 18.4511.00 0.00 ATOM 833 N ASP 511 38.811 46.233 17.7601.00 0.00 ATOM 834 CA ASP 511 39.507 47.459 17.3651.00 0.00 ATOM 835 C ASP 511 39.701 47.501 15.8521.00 0.00 ATOM 836 O ASP 511 39.758 46.430 15.2561.00 0.00 ATOM 837 CB ASP 511 40.784 47.535 18.2131.00 0.00 ATOM 838 CG ASP 511 40.400 47.266 19.6661.00 0.00 ATOM 839 OD1 ASP 511 39.730 48.080 20.2761.00 0.00 ATOM 840 OD2 ASP 511 40.713 46.204 20.1841.00 0.00 ATOM 841 H ASP 511 39.298 45.425 18.0871.00 0.00 ATOM 842 N LEU 512 39.706 48.690 15.2071.00 0.00 ATOM 843 CA LEU 512 39.852 50.003 15.8351.00 0.00 ATOM 844 C LEU 512 38.524 50.631 16.1911.00 0.00 ATOM 845 O LEU 512 37.887 51.247 15.3251.00 0.00 ATOM 846 CB LEU 512 40.587 50.903 14.8461.00 0.00 ATOM 847 CG LEU 512 41.623 51.837 15.4531.00 0.00 ATOM 848 CD1 LEU 512 42.709 51.060 16.1701.00 0.00 ATOM 849 CD2 LEU 512 42.250 52.748 14.4071.00 0.00 ATOM 850 H LEU 512 39.438 48.632 14.2481.00 0.00 ATOM 851 N ALA 513 38.142 50.407 17.4431.00 0.00 ATOM 852 CA ALA 513 36.827 50.802 17.9221.00 0.00 ATOM 853 C ALA 513 36.726 52.265 18.2671.00 0.00 ATOM 854 O ALA 513 37.592 52.788 18.9661.00 0.00 ATOM 855 CB ALA 513 36.538 50.043 19.2191.00 0.00 ATOM 856 H ALA 513 38.778 49.963 18.0711.00 0.00 ATOM 857 N VAL 514 35.619 52.913 17.8791.00 0.00 ATOM 858 CA VAL 514 35.372 54.140 18.6341.00 0.00 ATOM 859 C VAL 514 34.445 53.965 19.8351.00 0.00 ATOM 860 O VAL 514 34.855 53.346 20.8141.00 0.00 ATOM 861 CB VAL 35.045 55.351 17.7561.00 0.00 ATOM 862 CG1 35.399 56.636 18.5151.00 0.00 VAL

ATOM 863 CG2 35.800 55.303 16.4281.00 0.00 VAL

ATOM 864 H VAL 35.025 52.532 17.1681.00 0.00 ATOM 865 N ALA 33.211 54.521 19.7931.00 0.00 ATOM 866 CA ALA 32.345 54.521 20.9911.00 0.00 ATOM 867 C ALA 33.015 54.962 22.2841.00 0.00 ATOM 868 O ALA 33.467 54.141 23.0891.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 869 CB ALA1 515 31.749 53.148 21.2541.00 0.00 ATOM 870 H ALA1 515 32.845 54.928 18.9541.00 0.00 ATOM 871 N PRO1 516 33.115 56.30.222.4241.00 0_00 ATOM 872 CA PRO1 516 34.051 56.917 23.3741.00 0.00 ATOM 873 C PRO1 516 34.288 56:241 -24.7201.00 0.00 ATOM 874 O PRO1 516 33.543 56.474 25.6801.00 0.00 ATOM 875 CB- PRO1 516 33.528 58.351 23.4441.00 0.00 ATOM 876 CG PRO1 516 32.978 58.626 22.0451.00 0.00 ATOM 877 CD PRO1 516 32.368 57.289 21.6491.00 0.00 ATOM 878 N LEU1 517 35.386 55.429 24.6741.00 0.00 ATOM 879 CA LEU1 517 35.982 54.630 25.7571.00 0.00 ATOM 880 C LEU1 517 36.180 55.353 27.0801.00 0.00 ATOM 881 O LEU1 517 35.242 56.016 27.5131.00 0.00 ATOM 882 CB LEU1 517 37.285 53.964 25.2961.00 0.00 ATOM 883 CG LEU1 517 37.266 53.197 23.9751.00 0.00 ATOM 884 CD1 LEU1 517 38.648 52.612 23.7171.00 0.00 ATOM 885 CD2 LEU1 517 36.172 52.134 23.8721.00 0.00 ATOM 886 H LEU1 517 35.840 55.344 23.7901.00 0.00 ATOM 887 N ALA1 518 37.339 55.204 27.7601.00 0.00 ATOM 888 CA ALA1 518 37.367 55.922 29.0351.00 0.00 ATOM 889 C ALA1 518 38.692 56.480 29.4901.00 0.00 ATOM 890 O ALA1 518 39.675 55.759 29.6611.00 0.00 ATOM 891 CB ALA1 518 36.790 55.097 30.1881.00 0.00 ATOM 892 H ALA1 518 38.165 54.773 27.4101.00 0.00 ATOM 893 N ILE1 519 38.679 57.804 29.7381.00 0.00 ATOM 894 CA ILE1 519 39.860 58.449 30.3191.00 0.00 ATOM 895 C ILE1 519 40.006 58.165 31.8151.00 0.00 ATOM 896 O ILE1 519 39.660 58.921 32.7281.00 0.00 ATOM 897 CB ILE1 519 39.900 59.943 29.9301.00 0.00 ATOM 898 CG1 ILE1 519 41.158 60.648 30.4491.00 0.00 ATOM 899 CG2 ILE1 519 38.623 60.683 30.3501.00 0.00 ATOM 900 CD1 ILE1 519 41.291 62.087 29.9491.00 0.00 ATOM 901 H ILE1 519 37.799 58.275 29.6741.00 0.00 ATOM 902 N THR1 520 40.493 56.941 32.0211.00 0.00 ATOM 903 CA THR1 520 40.527 56.340 33.3521.00 0.00 ATOM 904 C THR1 520 41.418 55.132 33.2621.00 0.00 ATOM 905 O THR1 520 41.121 54.204 32.5161.00 0.00 ATOM 906 CB THR1 520 39.135 55.888 33.8361.00 0.00 ATOM 907 OG1 THR1 520 38.158 56.932 33.7071.00 0.00 ATOM 908 CG2 THR1 520 39.170 55.412 35.2901.00 0.00 ATOM 909 H THR1 520 40.827 56.428 31.2271.00 0.00 ATOM 910 HG1 THR1 520 38.218 57.221 32.7981.00 0.00 ATOM 911 N TYR1 521 42.510 55.194 34.0341.00 0.00 ATOM 912 CA TYR1 521 43.519 54.136 34.0111.00 0.00 ATOM 913 C TYR1 521 42.972 52.717 34.0221.00 0.00 ATOM 914 O TYR1 521 43.315 51.876 33.2041.00 0.00 ATOM 915 CB TYR1 52i 44.529 54.365 35.1421.00 0.00 ATOM 916 CG TYR1 521 45.811 53.606 34.8831.00 0.00 ATOM 917 CD1 TYR1 521 46.078 52.440 35.6281.00 0.00 ATOM 918 CD2 TYR1 521 46.707 54.088 33.9061.00 0.00 ATOM 919 CE1 TYR1 521 47.276 51.744 35.3971.00 0.00 ATOM 920 CE2 TYR1 521 47.900 53.388 33.6681.00 0.00 ATOM 921 CZ TYR1 521 48.172 52.229 34.4221.00 0.00 ATOM 922 OH TYR1 521 49.355 51.548 34.2041.00 0.00 ATOM 923 H TYR1 521 42.666 56.063 34.4981.00 0.00 ATOM 924 HH TYR1 521 49.680 51.260 35.0531.00 0.00 ATOM 925 N VAL1 522 42.044 52.495 34.9671.00 0.00 ATOM 926 CA VAL1 522 41.474 51.148 35.0581.00 0.00 ATOM 927 C VAL1 522 40.750 50.610 33.8251.00 0.00 ATOM 928 O VAL1 522 40.532 49.411 33.7101.00 0.00 ATOM 929 CB VAL1 522 40.609 50.988 36.3181.00 0.00 ATOM 930 CGl VAL1 522 41.435 51.280 37.5731.00 0.00 ATOM 931 CG2 VAL1 522 39.321 51.814 36.2641.00 0.00 ATOM 932 H VAL1 522 41.749 53.248 35.5511.00 0.00 ATOM 933 N ARG1 523 40.407 51.525 32.9031.00 0.00 ATOM 934 CA ARG1 523 39.845 51.140 31.6011.00 0.00 ATOM 935 C ARG1 523 40.841 51.230 30.4481.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 936 O ARG 523 40.931 50.357 29.588 1.000.00 ATOM 937 CB ARG 523 38.639 52.033 31.310 1.000.00 ATOM 938 CG ARG 523 38.104 51.998 29.873 1.000_.00 ATOM 939 CD ARG 523 37.275 50.777 29.514 1.000.00 ATOM 940 NE ARG 523 36.691 50.922 28.179 1.000.00 ATOM 941 C7 ARG 523 35.413 51.324 27.987 1.000.00 ATOM 942 NHI ARG 523 34.864 51.131 26.797 1.000.00 ATOM 943 NH2 ARG 523 34.701 51.896 28.957 1.000.00 ATOM 944 H ARG 523 40.625 52.479 33.105 1.000.00 ATOM 945 HE ARG 523 37.217 50.624 27.372 1.000.00 ATOM 946 ARG 523 33.895 51.340 26.672 1.000.00 ATOM 947 ARG 523 35.395 50.754 26.024 1.000.00 ATOM 948 ARG 523 33.735 52.119 28.818 1.000.00 ATOM 949 ARG 523 35.122 52.139 29.832 1.000.00 ATOM 950 N GLU 524 41.578 52.346 30.452 1.000.00 ATOM 951 CA GLU 524 42.519 52.620 29.376 1.000.00 ATOM 952 C GLU 524 43.662 51.627 29.354 1.000.00 ATOM 953 O GLU 524 44.114 51.170 28.304 1.000.00 ATOM 954 CB GLU 524 42.926 54.096 29.474 1.000.00 ATOM 955 CG GLU 524 44.347 54.501 29.057 1.000.00 ATOM 956 CD GLU 524 45.367 54.129 30.118 1.000.00 ATOM 957 OE1 GLU 524 44.997 53.899 31.263 1.000.00 ATOM 958 OE2 GLU 524 46.546 54.059 29.801 1.000.00 ATOM 959 H GLU 524 41.509 53.004 31.195 1.000.00 ATOM 960 N LYS 525 44.065 51.224 30.568 1.000.00 ATOM 961 CA LYS 525 45.011 50.119 30.602 1.000.00 ATOM 962 C LYS 525 44.415 48.724 30.650 1.000.00 ATOM 963 O LYS 525 45.097 47.724 30.858 1.000.00 ATOM 964 CB LYS 525 46.086 50.355 31.659 1.000.00 ATOM 965 CG LYS 525 47.519 50.222 31.121 1.000.00 ATOM 966 CD LYS 525 47.961 51.280 30.093 1.000.00 ATOM 967 CE LYS 525 47.645 50.993 28.616 1.000.00 ATOM 968 NZ LYS 525 46.705 51.957 28.016 1.000.00 ATOM 969 H LYS 525 43.748 51.666 31.405 1.000.00 ATOM 970 1HZ LYS 525 46.669 52.862 28.525 1.000.00 ATOM 971 2HZ LYS 525 47.019 52.159 27.045 1.000.00 ATOM 972 3HZ LYS 525 45.743 51.571 27.912 1.000.00 ATOM 973 N VAL 526 43.103 48.686 30.369 1.000.00 ATOM 974 CA VAL 526 42.623 47.462 29.738 1.000.00 ATOM 975 C VAL 526 42.767 47.608 28.233 1.000.00 ATOM 976 O VAL 526 43.608 46.962 27.614 1.000.00 ATOM 977 CB VAL 526 41.181 47.124 30.153 1.000.00 ATOM 978 CG1 VAL 526 40.667 45.843 29.485 1.000.00 ATOM 979 CG2 VAL 526 41.078 47.018 31.674 1.000.00 ATOM 980 H VAL 526 42.552 49.511 30.284 1.000.00 ATOM 981 N ILE 527 41.943 48.508 27.675 1.000.00 ATOM 982 CA ILE 527 42.036 48.762 26.236 1.000.00 ATOM 983 C ILE 527 42.563 50.147 25.910 1.000.00 ATOM 984 O ILE 527 42.088 51.164 26.426 1.000.00 ATOM 985 CB ILE 527 40.701 48.489 25.523 1.000.00 ATOM 986 CG1 527 39.528 49.266 26.133 1.000.00 ILE

ATOM 987 CG2 527 40.421 46.983 25.529 1.000.00 ILE

ATOM 988 CD1 527 38.219 49.052 25.370 1.000.00 ILE

ATOM 989 H ILE 527 41.358 49.022 28.299 1.000.00 ATOM 990 N ASP 528 43.593 50.135 25.050 1.000.00 ATOM 991 CA ASP 528 44.293 51.389 24.761 1.000.00 ATOM 992 C ASP 528 43.502 52.440 24.014 1.000.00 ATOM 993 O ASP 42.364 52.206 23.626 1.000.00 ATOM 994 CB ASP 45.619 51.118 24.083 1.000.00 ATOM 995 CG ASP 46.679 51.004 25.138 1.000.00 ATOM 996 ODl 47.396 51.971 25.331 1.000.00 ASP

ATOM 997 OD2 46.782 49.975 25.793 1.000.00 ASP

ATOM 998 H ASP 43.912 49.263 24.675 1.000.00 ATOM 999 N PHE 44.096 53.635 23.925 1.000.00 ATOM 1000 CA PHE 43.208 54.794 23.919 1.000.00 ATOM 1001 C PHE 43.396 55.695 22.718 1.000.00 ATOM 1002 O PHE 44.401 55.608 22.033 1.000.00 SUBSTITUTE SHEET (RULE 26) WO 98!38208 PCT/US98/03951 ATOM1003 CB PHE 1529 43.422 55.55325.234 1.00 0.00 ATOM1004 CG PHE 1529 44.839 56.07325.389 1.00 0.00 ATOM1005 CD1 PHE 1529 45.136 57.39624.993 1.00 0.00 ATOM1006 CD2 PHE 1529 45.841 55.23825.933 1.00 0.00 ATOM1007 CE1 PHE 1529 46.446 57.89025.138 1.00 0.00 ATOM1008 CE2 PHE 1529 47.152 55.72726.080 1.00 0.00 ATOM1009 CZ- PHE 1529 47.441 57.04925.680 1.00 0.00 ATOM1010 H PHE 1529 45.084 53.75224.023 1.00 0.00 ATOM1011 N SER 1530 42.449 56.61022.491 1.00 0.00 ATOM1012 CA SER 1530 42.784 57.76121.641 1.00 0.00 ATOM1013 C SER 1530 43.103 58.88522.593 1.00 0.00 ATOM1014 O SER 1530 42.601 58.85323.715 1.00 0.00 ATOM1015 CB SER 1530 41.578 58.15220.779 1.00 0.00 ATOM1016 OG SER 1530 41.862 59.21019.849 1.00 0.00 ATOM1017 H SER 1530 41.682 56.62623.125 1.00 0.00 ATOM1018 HG SER 1530 42.572 58.90019.281 1.00 0.00 ATOM1019 N LYS 1531 43.906 59.84922.145 1.00 0.00 ATOM1020 CA LYS 1531 44.011 61.08822.924 1.00 0.00 ATOM1021 C LYS 1531 42.700 61.86822.786 1.00 0.00 ATOM1022 O LYS 1531 42.095 61.78721.717 1.00 0.00 ATOM1023 CB LYS 1531 45.239 61.85422.416 1.00 0.00 ATOM1024 CG LYS 1531 45.803 62.83723.438 1.00 0.00 ATOM1025 CD LYS 1531 46.367 62.16624.693 1.00 0.00 ATOM1026 CE LYS 1531 46.280 63.04825.946 1.00 0.00 ATOM1027 NZ LYS 1531 46.653 64.43025.652 1.00 0.00 ATOM1028 H LYS 1531 44.227 59.74521.205 1.00 0.00 ATOM1029 1HZ LYS 1531 47.043 64.87526.490 1.00 0.00 ATOM1030 2HZ LYS 1531 47.400 64.46624.933 1.00 0.00 ATOM1031 3HZ LYS 1531 45.840 65.02625.382 1.00 0.00 ATOM1032 N PRO 1532 42.209 62.51923.883 1.00 0.00 ATOM1033 CA PRO 1532 40.922 63.23223.893 1.00 0.00 ATOM1034 C PRO 1532 40.530 64.18022.772 1.00 0.00 ATOM1035 O PRO 1532 40.362 65.38622.930 1.00 0.00 ATOM1036 CB PRO 1532 40.881 63.89425.272 1.00 0.00 ATOM1037 CG PRO 1532 41.659 62.93226.155 1.00 0.00 ATOM1038 CD PRO 1532 42.775 62.48125.225 1.00 0.00 ATOM1039 N PHE 1533 40.224 63.55021.639 1.00 0.00 ATOM1040 CA PHE 1533 39.367 64.24820.694 1.00 0.00 ATOM1041 C PHE 1533 37.905 63.95020.975 1.00 0.00 ATOM1042 O PHE I533 36.999 64.21420.179 1.00 0.00 ATOM1043 CB PHE 1533 39.748 63.88419.257 1.00 0.00 ATOM1044 CG PHE 1533 41.087 64.49218.904 1.00 0.00 ATOM1045 CD1 PHE 1533 41.122 65.69518.166 1.00 0.00 ATOM1046 CD2 PHE 1533 42.280 63.85619.317 1.00 0.00 ATOM1047 CEI PHE 1533 42.363 66.27617.846 1.00 0.00 ATOM1048 CE2 PHE 1533 43.522 64.43519.000 1.00 0.00 ATOM1049 CZ PHE 1533 43.549 65.64018.270 1.00 0.00 ATOM1050 H PHE 1533 40.363 62.56321.573 1.00 0.00 ATOM1051 N MET 1534 37.663 63.36322.163 1.00 0.00 ATOM1052 CA MET 1534 36.268 63.18722.534 1.00 0.00 ATOM1053 C MET 1534 35.792 64.16423.582 1.00 0.00 ATOM1054 O MET 1534 34.653 64.61323.509 1.00 0.00 ATOM1055 CB MET 1534 35.965 61.74722.958 1.00 0.00 ATOM1056 CG MET 1534 36.155 60.73021.830 1.00 0.00 ATOM1057 SD MET 1534 37.867 60.53921.309 1.00 0.00 ATOM1058 CE MET 1534 37.566 59.77319.713 1.00 0.00 ATOM1059 H MET 1534 38.424 63.12822.766 1.00 0.00 ATOM1060 N THR 1535 36.692 64.44824.544 1.00 0.00 ATOM1061 CA THR 1535 36.344 64.96625.871 1.00 0.00 ATOM1062 C THR 1535 34.979 65.61026.079 1.00 0.00 ATOM1063 O THR 1535 34.688 66.73825.667 1.00 0.00 ATOM1064 CB THR 1535 37.518 65.7952,6.4431.00 0.00 ATOM1065 OG1 THR 1535 37.350 66.08627.844 1.00 0.00 ATOM1066 CG2 THR 1535 37.814 67.06325.635 1.00 0.00 ATOM1067 H THR 1535 37.624 64.12324.427 1.00 0.00 ATOM1068 HG1 THR 1535 38.166 66.52428.096 1.00 0.00 ATOM1069 N LEU 1536 34.135 64.83226.749 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1070 CA LEU 536 32.983 65.429 27.401 1.000.00 ATOM 1071 C LEU 536 33.266 65.466 28.879 1.000.00 ATOM 1072 O LEU 536 34.006 64.639 29.409 1.000.00 ATOM 1073 CB LEU 536 31.690 64.641 27.156 1.000.00 ATOM 1074 CG LEU 536 31.091 64.783 25.752 1.000.00 I

ATOM 1075 CD1 LEU 536 31.083 66.241 25.288 1.000.00 ATOM 1076 CD2'LEU 536 31.724 63.836 24.732 1.000.00 ATOM 1077 H LEU 536 34.394 63.899 26.978 1.000.00 ATOM 1078 N GLY 537 32.658 66.449 29.522 1.000.00 ATOM 1079 CA GLY 537 32.802 66.432 30.965 1.000.00 ATOM 1080 C GLY 537 31.683 65.648 31.604 1.000.00 ATOM 1081 O GLY 537 30.673 65.304 30.984 1.000.00 ATOM 1082 H GLY 537 31.992 67.030 29.069 1.000.00 ATOM 1083 N ILE 538 31.867 65.422 32.919 1.000.00 ATOM 1084 CA ILE 538 30.642 65.108 33.643 1.000.00 ATOM 1085 C ILE 538 29.951 66.406 33.941 1.000.00 ATOM 1086 O ILE 538 30.570 67.452 34.173 1.000.00 ATOM 1087 CB ILE 538 30.857 64.257 34.907 1.000.00 ATOM 1088 CGl ILE 538 29.616 63.426 35.235 1.000.00 ATOM 1089 CG2 ILE 538 31.326 65.054 36.136 1.000.00 ATOM 1090 CD1 ILE 538 29.906 62.330 36.260 1.000.00 ATOM 1091 H ILE 538 32.650 65.836 33.382 1.000.00 ATOM 1092 N SER 539 28.639 66.329 33.867 1.000.00 ATOM 1093 CA SER 539 27.982 67.608 33.933 1.000.00 ATOM 1094 C SER 539 26.999 67.638 35.069 1.000.00 ATOM 1095 O SER 539 26.137 66.781 35.265 1.000.00 ATOM 1096 CB SER 539 27.472 67.947 32.545 1.000.00 ATOM 1097 OG SER 539 28.463 67.531 31.578 1.000.00 ATOM 1098 H SER 539 28.189 65.471 33.617 1.000.00 ATOM 1099 HG SER 539 28.566 66.589 31.779 1.000.00 ATOM 1100 N ILE 540 27.304 68.614 35.907 1.000.00 ATOM 1101 CA ILE 540 26.815 68.569 37.276 1.000.00 ATOM 1102 C ILE 540 25.624 69.502 37.330 1.000.00 ATOM 1103 O ILE 540 25.406 70.250 36.376 1.000.00 ATOM 1104 CB ILE 540 28.004 68.957 38.188 1.000.00 ATOM 1105 CG1 ILE 540 29.222 68.119 37.771 1.000.00 ATOM 1106 CG2 ILE 540 27.736 68.727 39.682 1.000.00 ATOM 1107 CD1 ILE 540 30.547 68.528 38.406 1.000.00 ATOM 1108 H ILE 540 27.847 69.372 35.549 1.000.00 ATOM 1109 N LEU 541 24.875 69.463 38.430 1.000.00 ATOM 1110 CA LEU 541 23.722 70.350 38.589 1.000.00 ATOM 1111 C LEU 541 22.748 70.274 37.438 1.000.00 ATOM 1112 O LEU 541 22.285 71.263 36.872 1.000.00 ATOM 1113 CB LEU 541 24.068 71.826 38.857 1.000.00 ATOM 1114 CG LEU 541 25.111 72.146 39.931 1.000.00 ATOM 1115 CD1 541 25.018 71.244 41.162 1.000.00 LEU

ATOM 1116 CD2 541 26.516 72.212 39.344 1.000.00 LEU

ATOM 1117 H LEU 541 25.073 68.726 39.067 1.000.00 ATOM 1118 N TYR 542 22.420 69.020 37.110 1.000.00 ATOM 1119 CA TYR 542 21.221 68.906 36.285 1.000.00 ATOM 1120 C TYR 542 19.997 69.016 37.156 1.000.00 ATOM 1121 O TYR 542 19.539 68.079 37.810 1.000.00 ATOM 1122 CB TYR 542 21.269 67.694 35.341 1.000.00 ATOM 1123 CG TYR 22.240 68.044 34.234 1.000.00 ATOM 1124 CD1 21.761 68.217 32.921 1.000.00 TYR

ATOM 1125 CD2 23.591 68.266 34.554 1.000.00 TYR

ATOM 1126 CE1 22.608 68.782 31.951 1.000.00 TYR

ATOM 1127 CE2 24.430 68.842 33.599 1.000.00 TYR

ATOM 1128 CZ TYR 23.918 69.135 32.327 1.000.00 ATOM 1129 OH TYR 24.731 69.808 31.435 1.000.00 ATOM 1130 H TYR 22.957 68.275 37.510 1.000.00 ATOM 1131 HH TYR 25.227 70.448 31.951 1.000.00 ATOM 1132 N ARG 19.578 70.286 37.210 1.000.00 ATOM 1133 CA ARG 18.724 70.753 38.288 1.000.00 ATOM 1134 C RRG 17.730 71.831 37.825 1.000.00 ATOM 1135 O ARG 16.876 71.559 36.980 1.000.00 ATOM 1136 CB ARG 19.662 71.160 39.421 1.00D.00 SUBSTITUTE SHEET (RULE 26) ATOM 1137 CG ARG1 543 19.219 70.805 40.8341.00 0.00 ATOM 1138 CD ARG1 543 20.183 71.415 41.8531.00 0.00 ATOM 1139 NE ARG1 543 20.189 72.854 41.6221.00 0.00 ATOM 1140 CZ ARG1 543 19.158 73.567 42.1181.00 0:00 ATOM 1141 NH1 ARG1 543 18.756 74.643 -41.4561.00 0.00 ATOM 1142 NH2 ARG1 543 18.554 73.153 43.2271.00 0.00 ATOM 1143 H ARG1 543 20.075 70.951 36.6541.00 0.00 ~_ ATOM 1144 HE ARG1 543 20.709 73.155 40.8121.00 0.00 ATOM 1145 1HH1ARG1 543 18.100 75.303 41.8191.00 0.00 ATOM 1146 2HH1ARG1 543 19.116 74.796 40.5261.00 0.00 ATOM 1147 1HH2ARG1 543 17.690 73.523 43.5771.00 0.00 ATOM 1148 2HH2ARG1 543 18.931 72.398 43.7621.00 0.00 ATOM 1149 N LYS1 544 17.809 73.058 38.3981.00 0.00 ATOM 1150 CA LYS1 544 16.969 74.161 37.8891.00 0.00 ATOM 1151 C LYS1 544 17.595 75.562 37.9991.00 0.00 ATOM 1152 O LYS1 544 17.936 76.058 39.0761.00 0.00 ATOM 1153 CB LYS1 544 15.549 74.173 38.4911.00 0.00 ATOM 1154 CG LYS1 544 14.550 73.281 37.7341.00 0.00 ATOM 1155 CD LYS1 544 14.424 73.661 36.2511.00 0.00 ATOM 1156 CE LYS1 544 13.864 72.560 35.3391.00 0.00 ATOM 1157 NZ LYS1 544 14.812 71.451 35.2221.00 0.00 ATOM 1158 H LYS1 544 18.591 73.318 38.9721.00 0.00 ATOM 1159 1HZ LYS1 544 15.712 71.621 35.7141.00 0.00 ATOM 1160 2HZ LYS1 544 14.379 70.596 35.6251.00 0.00 ATOM 1161 3HZ LYS1 544 14.992 71.196 34.2311.00 0.00 ATOM 1162 N PRO1 545 17.742 76.210 36.8071.00 0.00 ATOM 1163 CA PRO1 545 18.117 77.638 36.7641.00 0.00 ATOM 1164 C PRO1 545 16.943 78.506 37.2221.00 0.00 ATOM 1165 O PRO1 545 16.074 77.996 37.9281.00 0.00 ATOM 1166 CH PRO1 545 18.505 77.814 35.2901.00 0.00 ATOM 1167 CG PRO1 545 17.611 76.836 34.5321.00 0.00 ATOM 1168 CD PRO1 545 17.550 75.642 35.4751.00 0.00 ATOM 1169 N ASN1 546 16.924 79.787 36.8141.00 0.00 ATOM 1170 CA ASN1 546 15.784 80.624 37.2131.00 0.00 ATOM 1171 C ASN1 546 15.605 81.800 36.2611.00 0.00 ATOM 1172 O ASN1 546 16.443 82.018 35.3941.00 0.00 ATOM 1173 CB ASN1 546 15.945 81.086 38.6751.00 0.00 ATOM 1174 CG ASN1 546 14.609 81.544 39.2271.00 0.00 ATOM 1175 ODl ASN1 546 13.546 81.250 38.6941.00 0.00 ATOM 1176 ND2 ASN1 546 14.682 82.354 40.2851.00 0.00 ATOM 1177 H ASN1 546 17.703 80.152 36.3021.00 0.00 ATOM 1178 1HD2ASN1 546 13.838 82.720 40.6781.00 0.00 ATOM 1179 2HD2ASN1 546 15.560 82.630 40.6741.00 0.00 ATOM 1180 N GLY1 547 14.510 82.562 36.4291.00 0.00 ATOM 1181 CA GLY1 547 14.372 83.804 35.6701.00 0.00 ATOM 1182 C GLY1 547 15.218 84.921 36.2511.00 0.00 ATOM 1183 O GLY1 547 14.741 85.841 36.9141.00 0.00 ATOM 1184 H GLY1 547 13.842 82.337 37.1371.00 0.00 ATOM 1185 N THR1 548 16.507 84.756 35.9771.00 0.00 ATOM 1186 CA THR1 548 17.535 85.654 36.4641.00 0.00 ATOM 1187 C THR1 548 18.697 85.468 35.5151.00 0.00 ATOM 1188 O THR1 548 18.884 84.374 34.9821.00 0.00 ATOM 1189 CB THR1 548 17.878 85.310 37.9331.00 0.00 ATOM 1190 OG1 THR1 548 18.666 86.333 38.5581.00 0.00 ATOM 1191 CG2 THR1 548 18.519 83.929 38.1211.00 0.00 ATOM 1192 H THR1 548 16.804 84.002 35.3921.00 0.00 ATOM 1193 HG1 THR1 548 19.565 86.036 38.4411.00 0.00 ATOM 1194 N ASN1 549 19.420 86.581 35.3121.00 0.00 ATOM 1195 CA ASN1 549 20.592 86.651 34.4271.00 0.00 ATOM 1196 C ASN1 549 20.634 85.770 33.1811.00 0.00 ATOM 1197 O ASN1 549 20.936 84.584 33.2261.00 0.00 ATOM 1198 CB ASN1 549 21.889 86.500 35.2211.00 0.00 ATOM 1199 CG ASN1 549 22.961 87.289 34.5001.00 0.00 ATOM 1200 OD1 ASN1 549 22.887 88.504 34.3821.00 0.00 ATOM 1201 ND2 ASN1 549 23.958 86.559 34.0041.00 0.00 ATOM 1202 H ASN1 549 19.148 87.393 35.8261.00 0.00 ATOM 1203 1HD2ASN1 549 24.674 87.020 33.4791.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1204 ASN 549 23.944 85.566 34.1511.00 0.00 ATOM 1205 N PRO 550 20.326 86.400 32.0301.00 0.00 ATOM 1206 CA PRO 550 20.393 85.645 30.7741.00 0.00 ATOM 1207 C PRO 550 21.822 85.253 30.4131.00 0.00 ATOM 1208 O PRO 550 22.788 85.652 31.0551.00 0.00 ATOM 1209 CB PRO 550 19.752 86.627 29.7851.00 0.00 ATOM 1210 CG'-PRO 550 20.050 88.016 30.3521.00 0.00 ATOM 1211 CD PRO 550 19.943 87.795 31.8561.00 0.00 I

ATOM 1212 N GLY 551 21.912 84.448 29.3431.00 0.00 ATOM 1213 CA GLY 551 23.229 84.216 28.7651.00 0.00 ATOM 1214 C GLY 551 23.394 82.772 28.3301.00 0.00 ATOM 1215 GLY 551 22.524 82.235 27.6511.00 0.00 lOCT 1 ATOM 1216 GLY 551 24.388 82.150 28.6791.00 0.00 ATOM 1217 H GLY 551 21.108 84.092 28.8721.00 0.00 ATOM 1218 N VAL 661 27.598 80.303 30.8631.00 0.00 ATOM 1219 CA VAL 661 26.263 79.728 30.9691.00 0.00 ATOM 1220 C VAL 661 25.556 80.497 32.0681.00 0.00 ATOM 1221 O VAL 661 25.467 80.081 33.2171.00 0.00 ATOM 1222 CB VAL 661 26.370 78.202 31.2021.00 0.00 ATOM 1223 CG1 VAL 661 27.312 77.804 32.3481.00 0.00 ATOM 1224 CG2 VAL 661 24.986 77.549 31.3041.00 0.00 ATOM 1225 1HT VAL 661 28.373 79.662 30.6591.00 0.00 ATOM 1226 2HT VAL 661 27.567 81.082 30.1781.00 0.00 ATOM 1227 3HT VAL 661 27.807 80.852 31.7271.00 0.00 ATOM 1228 N GLU 662 25.126 81.679 31.6681.00 0.00 ATOM 1229 CA GLU 662 24.988 82.716 32.6811.00 0.00 ATOM 1230 C GLU 662 23.622 82.747 33.3491.00 0.00 ATOM 1231 O GLU 662 23.418 83.336 34.4101.00 0.00 ATOM 1232 CB GLU 662 25.433 84.047 32.0581.00 0.00 ATOM 1233 CG GLU 662 26.956 84.230 31.8481.00 0.00 ATOM 1234 CD GLU 662 27.616 83.112 31.0411.00 0.00 ATOM 1235 OE1 GLU 662 28.591 82.529 31.5031.00 0.00 ATOM 1236 OE2 GLU 662 27.150 82.758 29.9611.00 0.00 ATOM 1237 H GLU 662 25.088 81.927 30.6981.00 0.00 ATOM 1238 N ARG 663 22.711 82.002 32.7031.00 0.00 ATOM 1239 CA ARG 663 21.528 81.518 33.4041.00 0.00 ATOM 1240 C ARG 663 21.879 80.4$1 34.4671.00 0.00 ATOM 1241 O ARG 663 21.905 79.271 34.2581.00 0.00 ATOM 1242 CB ARG 663 20.441 81.050 32.4121.00 0.00 ATOM 1243 CG ARG 663 20.705 79.852 31.4761.00 0.00 ATOM 1244 CD ARG 663 21.664 80.072 30.2981.00 0.00 ATOM 1245 NE ARG 663 21.777 78.845 29.5061.00 0.00 ATOM 1246 CZ ARG 663 22.668 78.713 28.5001.00 0.00 ATOM 1247 NH1 ARG 663 23.491 79.696 28.1941.00 0.00 ATOM 1248 NH2 ARG 663 22.699 77.584 27.8051.00 0.00 ATOM 1249 H ARG 663 22.936 81.716 31.7771.00 0.00 ATOM 1250 HE ARG 663 21.086 78.137 29.6611.00 0.00 ATOM 1251 1HH1ARG 663 24.209 79.607 27.5081.00 0.00 ATOM 1252 2HH1ARG 663 23.405 80.608 28.6301.00 0.00 ATOM 1253 1HH2ARG 663 23.351 77.465 27.0571.00 0.00 ATOM 1254 2HH2ARG 663 22.046 76.846 27.9931.00 0.00 ATOM 1255 N MET 664 22.200 81.036 35.6421.00 0.00 ATOM 1256 CA MET 664 22.810 80.216 36.6891.00 0.00 ATOM 1257 C MET 664 21.896 79.254 37.4401.00 0.00 ATOM 1258 O MET 664 20.702 79.490 37.6161.00 0.00 ATOM 1259 CB MET 664 23.575 81.119 37.6611.00 0.00 ATOM 1260 CG MET 664 22.690 82.057 38.4881.00 0.00 ATOM 1261 SD MET 664 23.644 83.095 39.6041.00 0.00 ATOM 1262 CE MET 664 24.466 81.779 40.5171.00 0.00 ATOM 1263 H MET 664 22.218 82.039 35.6561.00 0.00 1264 N GLU 22.556 78.184 37.9011.00 0.00 ATOM 1265 CA GLU 21.973 77.302 38.9151.00 0.00 ATOM 1266 C GLU 22.267 77.781 40.3291.00 0.00 ATOM O GLU 22.769 78.869 40.5701.00 0.00 ATOM 1267 GLU 570 75.910 38.7551.00 0.00 ATOM 1268 CB 2 . 104 37.5961.00 0.00 ATOM 1269 CG GLU . . 37.9891.00 0.00 ATOM 1270 CD GLU 665 . .

SUBSTITUTE SHEET (RULE 26) ATOM 1271 OE1 GLU2 665 20.096 73.819 37.118 1.000.00 ATOM 1272 OE2 GLU2 665 20.326 74.427 39.152 1.000.00 ATOM 1273 H GLU2 665 23.513 78.100 37.627 1.000.00 ATOM 1274 N SER2 666 22.008 76.912 41.322 1.000-.00 ATOM 1275 CA SER2 666 22.509 77.312 42.643 1.000.00 _ ATOM 1276 C SER2 666 23.955 76.931 43.008 1.000.00 ATOM 1277 O-_ SER2 666 24.791 77.823 43.161 1.000.00 ATOM 1278 CB SER2 666 21.457 77.014 43.724 1.000.00 ATOM 1279 OG SER2 666 20.605 75.940 43.273 1.000.00 ATOM 1280 H SER2 666 21.617 76.002 41.195 1.000.00 ATOM 1281 HG SER2 666 19.780 76.370 43.045 1.000.00 ATOM 1282 N PRO2 667 24.249 75.606 43.156 1.000.00 ATOM 1283 CA PRO2 667 25.596 75.246 43.590 1.000.00 ATOM 1284 C PRO2 667 26.467 74.842 42.408 1.000.00 ATOM 1285 O PRO2 667 26.149 75.082 41.242 1.000.00 ATOM 1286 CB PRO2 667 25.278 74.098 44.552 1.000.00 ATOM 1287 CG PRO2 667 24.076 73.372 43.941 1.000.00 ATOM 1288 CD PRO2 667 23.408 74.413 43.044 1.000.00 ATOM 1289 N ILE2 668 27.586 74.199 42.767 1.000.00 ATOM 1290 CA ILE2 668 28.525 73.667 41.784 1.000.00 ATOM 1291 C ILE2 668 29.181 72.428 42.397 1.000.00 ATOM 1292 O ILE2 668 28.803 72.017 43.492 1.000.00 ATOM 1293 CB ILE2 668 29.492 74.803 41.376 1.000.00 ATOM 1294 CG1 ILE2 668 30.291 74.533 40.096 1.000.00 ATOM 1295 CG2 ILE2 668 30.392 75.207 42.554 1.000.00 ATOM 1296 CD1 ILE2 668 31.169 75.711 39.673 1.000.00 ATOM 1297 H ILE2 668 27.817 74.032 43.729 1.000.00 ATOM 1298 N ASP2 669 30.171 71.823 41.725 1.000.00 ATOM 1299 CA ASP2 669 31.112 70.987 42.470 1.000.00 ATOM 1300 C ASP2 669 32.413 71.757 42.646 1.000.00 ATOM 1301 O ASP2 669 33.355 71.639 41.866 1.000.00 ATOM 1302 CB ASP2 669 31.317 69.654 41.727 1.000.00 ATOM 1303 CG ASP2 669 32.130 68.609 42.487 1.000.00 ATOM 1304 OD1 ASP2 669 31.638 67.512 42.712 1.000.00 ATOM 1305 OD2 ASP2 669 33.277 68.845 42.824 1.000.00 ATOM 1306 H ASP2 669 30.406 72.058 40.785 1.000.00 ATOM 1307 N SER2 670 32.429 72.593 43.691 1.000.00 ATOM 1308 CA SER2 670 33.782 72.929 44.123 1.000.00 ATOM 1309 C SER2 670 34.070 72.069 45.326 1.000.00 ATOM 1310 O SER2 670 33.161 71.429 45.856 1.000.00 ATOM 1311 CB SER2 670 33.990 74.424 44.396 1.000.00 ATOM 1312 OG SER2 670 35.391 74.750 44.269 1.000.00 ATOM 1313 H SER2 670 31.641 72.614 44.306 1.000.00 ATOM 1314 HG SER2 670 35.543 74.887 43.337 1.000.00 ATOM 1315 N ALA2 671 35.353 72.030 45.714 1.000.00 ATOM 1316 CA ALA2 671 35.787 70.958 46.612 1.000.00 ATOM 1317 C ALA2 671 34.894 70.727 47.821 1.000.00 ATOM 1318 O ALA2 671 34.607 69.592 48.217 1.000.00 ATOM 1319 CB ALA2 671 37.216 71.211 47.095 1.000.00 ATOM 1320 H ALA2 671 35.970 72.721 45.334 1.000.00 ATOM 1321 N ASP2 672 34.484 71.881 48.360 1.000.00 ATOM 1322 CA ASP2 672 33.662 71.994 49.554 1.000.00 ATOM 1323 C ASP2 672 32.192 71.630 49.402 1.000.00 ATOM 1324 O ASP2 672 31.609 71.007 50.280 1.000.00 ATOM 1325 CB ASP2 672 33.851 73.407 50.136 1.000.00 ATOM 1326 CG ASP2 672 33.226 74.521 49.291 1.000.00 ATOM 1327 OD1 ASP2 672 33.056 74.399 48.083 1.000.00 ATOM 1328 OD2 ASP2 672 32.847 75.536 49.848 1.000.00 ATOM 1329 H ASP2 672 34.663 72.741 47.874 1.000.00 ATOM 1330 N ASP2 673 31.611 72.031 48.264 1.000.00 ATOM 1331 CA ASP2 673 30.153 72.026 48.133 1.000.00 ATOM 1332 C ASP2 673 29.400 70.805 48.581 1.000.00 ATOM 1333 O ASP2 673 28.325 70.874 49.170 1.000.00 ATOM 1334 CB ASP2 673 29.715 72.385 46.718 1.000.00 ATOM 1335 CG ASP2 673 29.455 73.868 46.695 1.000.00 ATOM 1336 OD1 ASP2 673 30.222 74.599 46.087 1.000.00 ATOM 1337 OD2 ASP2 673 28.512 74.326 47.330 1.000.00 SUBSTITUTE SHEET (RULE 26) r ATOM 1338 H ASP 673 32.166 72.59147.651 1.00 0.00 ATOM 1339 N LEU 674 29.995 69.65548.259 1.00 0.00 ATOM 1340 CA LEU 674 29.339 68.38048.593 1.00 0.00 ATOM 1341 C LEU 674 29.158 68.13D50.094 1.00 0.00 ATOM 1342 O LEU 674 28.239 67.47150.591 1.00 0.00 ATOM 1343 CB LEU 674 30.091 67.22647.931 1.00 0.00 ATOM 1344 CG~-LEU 674 30.315 67.40746.425 1.00 0.00 ATOM 1345 CD1LEU 674 31.186 66.28845.855 1.00 0.00 ATOM 1346 CD2LEU 674 29.007 67.56445.645 1.00 0.00 ATOM 1347 H LEU 674 30.934 69.74847.921 1.00 0.00 ATOM 1348 N ALA 675 30.107 68.74550.823 1.00 0.00 ATOM 1349 CA ALA 675 29.893 68.94852.247 1.00 0.00 ATOM 1350 C ALA 675 28.977 70.12652.547 1.00 0.00 ATOM 1351 O ALA 675 27.881 69.94953.081 1.00 0.00 ATOM 1352 CB ALA 675 31.229 69.11252.978 1.00 0.00 ATOM 1353 H ALA 675 30.804 69.27150.333 1.00 0.00 ATOM 1354 N LYS 676 29.480 71.32752.195 1.00 0.00 ATOM 1355 CA LYS 676 28.894 72.55752.738 1.00 0.00 ATOM 1356 C LYS 676 27.471 72.89852.342 1.00 0.00 ATOM 1357 O LYS 676 26.668 73.38653.138 1.00 0.00 ATOM 1358 CB'LYS 676 29.849 73.76052.585 1.00 0.00 ATOM 1359 CG LYS 676 30.206 74.35751.208 1.00 0.00 ATOM 1360 CD LYS 676 29.203 75.32450.556 1.00 0.00 ATOM 1361 CE LYS 676 29.827 76.42649.668 1.00 0.00 ATOM 1362 NZ LYS 676 30.612 75.89448.542 1.00 0.00 ATOM 1363 H LYS 676 30.342 71.34251.682 1.00 0.00 ATOM 1364 1HZLYS 676 31.383 75.27148.867 1.00 0.00 ATOM 1365 2HZLYS 676 30.017 75.37747.866 1.00 0.00 ATOM 1366 3HZLYS 676 31.097 76.65548.032 1.00 0.00 ATOM 1367 N GLN 677 27.165 72.61451.071 1.00 0.00 ATOM 1368 CA GLN 677 25.790 72.82950.634 1.00 0.00 ATOM 1369 C GLN 677 24.861 71.69351.029 1.00 0.00 ATOM 1370 O GLN 677 24.418 70.90050.208 1.00 0.00 ATOM 1371 CB GIN 677 25.727 73.07949.126 1.00 0.00 ATOM 1372 CG GLN 677 24.646 74.08948.728 1.00 0.00 ATOM 1373 CD GLN 677 25.132 75.49549.029 1.00 0.00 ATOM 1374 OE1GLN 677 24.853 76.09350.068 1.00 0.00 ATOM 1375 NE2GLN 677 25.892 75.99248.046 1.00 0.00 ATOM 1376 H GLN 677 27.849 72.13350.522 1.00 0.00 ATOM 1377 1HE2GLN 677 26.290 76.90548.108 1.00 0.00 ATOM 1378 2HE2GLN 677 26.081 75.43147.239 1.00 0.00 ATOM 1379 N THR 678 24.584 71.65252.345 1.00 0.00 ATOM 1380 CA THR 678 23.696 70.67452.996 1.00 0.00 ATOM 1381 C THR 678 22.307 70.57252.369 1.00 0.00 ATOM 1382 O THR 678 21.312 71.08952.874 1.00 0.00 ATOM 1383 CB THR 678 23.648 70.94754.530 1.00 0.00 ATOM 1384 OG1THR 678 22.771 70.05155.251 1.00 0.00 ATOM 1385 CG2THR 678 23.313 72.40854.862 1.00 0.00 ATOM 1386 H THR 678 24.992 72.37952.897 1.00 0.00 ATOM 1387 HG1 678 21.971 70.01654.732 1.00 0.00 THR

ATOM 1388 N LYS 679 22.292 69.84151.247 1.00 0.00 ATOM 1389 CA LYS 679 21.134 69.69650.371 1.00 0.00 ATOM 1390 C LYS 679 21.482 68.81049.194 1.00 0.00 ATOM 1391 O LYS 679 20.696 67.95348.805 1.00 0.00 ATOM 1392 CB LYS 679 20.625 71.03649.807 1.00 0.00 ATOM 1393 CG LYS 679 19.215 70.98249.191 1.00 0.00 ATOM 1394 CD LYS 679 18.862 72.27048.438 1.00 0.00 ATOM 1395 CE LYS 679 17.375 72.47948.105 1.00 0.00 ATOM 1396 NZ LYS 16.836 71.47347.181 1.00 0.00 ATOM 1397 H LYS 23.178 69.48850.944 1.00 0.00 ATOM 1398 1HZLYS 17.529 70.98146.593 1.00 0.00 ATOM 1399 2HZLYS 16.220 70.77947.629 1.00 0.00 ATOM 1400 3HZLYS 16.235 71.95246.475 1.00 0.00 ATOM 1401 N ILE 22.657 69.09948.623 1.00 0.00 ATOM 1402 CA ILE 22.945 68.62447.273 1.00 0.00 ATOM 1403 C ILE 23.012 67.11147.066 1.00 0.00 ATOM 1404 O ILE 24.036 66.44747.222 1.00 0.00 SUBSTITUTE SHEET (RULE 26j ATOM 1405 CH ILE2 680 24.183 69.37146.724 1.000.00 ATOM 1406 CGl ILE2 680 24.464 69.05045.250 1.000.00 ATOM 1407 CG2 ZLE2 680 25.429 69.13447.596 1.000.00 ATOM 1408 CD1 ILE2 680 25.683 69.78844.692 1.000-.00 ATOM 1409 H ILE2 680 23.231 69.82349.006 1.000.00 ATOM 1410 N GLU2 681 21.878 66.55546.631 1.000.00 ATOM 1411 CA'_GLU2 681 22.089 65.26345.994 1.000.00 ATOM 1412 C GLU2 681 22.545 65.42644.565 1.000.00 ATOM 1413 O GLU2 681 21.767 65.56343.617 1.000.00 ATOM 1414 CB GLU2 681 20.903 64.30546.076 1.000.00 ATOM 1415 CG GLU2 681 21.433 62.90745.719 1.000.00 ATOM 1416 CD GLU2 681 20.362 61.83945.649 1.000.00 ATOM 1417 OEI GLU2 681 20.691 60.68845.404 1.000.00 ATOM 1418 OE2 GLU2 681 19.191 62.12845.823 1.000.00 ATOM 1419 H GLU2 681 21.056 67.10646.534 1.000.00 ATOM 1420 N TYR2 682 23.880 65.42844.455 1.000.00 ATOM 1421 CA TYR2 682 24.428 65.28843.118 1.000.00 ATOM 1422 C TYR2 682 24.213 63.87642.616 1.000.00 ATOM 1423 O TYR2 682 24.173 62.90943.385 1.000.00 ATOM 1424 CH TYR2 682 25.876 65.81643.046 1.000.00 ATOM 1425 CG TYR2 682 26.946 64.77743.313 1.000.00 ATOM 1426 CD1 TYR2 682 27.545 64.15742.200 1.000.00 ATOM 1427 CD2 TYR2 682 27.335 64.47144.633 1.000.00 ATOM 1428 CE1 TYR2 682 28.564 63.21642.401 1.000.00 ATOM 1429 CE2 TYR2 682 28.363 63.53344.837 1.000.00 ATOM 1430 CZ TYR2 682 28.958 62.91243.717 1.000.00 ATOM 1431 OH TYR2 682 29.946 61.95743.904 1.000.00 ATOM 1432 H TYR2 682 24.399 65.29245.295 1.000.00 ATOM 1433 HH TYR2 682 30.344 62.05144.774 1.000.00 ATOM 1434 N GLY2 683 23.971 63.83041.322 1.000.00 ATOM 1435 CA GLY2 683 23.567 62.53240.844 1.000.00 ATOM 1436 C GLY2 683 24.668 61.83340.118 1.000.00 ATOM 1437 O GLY2 683 25.860 62.09140.299 1.000.00 ATOM 1438 H GLY2 683 24.259 64.56040.706 1.000.00 ATOM 1439 N ALA2 684 24.139 60.97439.248 1.000.00 ATOM 1440 CA ALA2 684 24.823 60.21638.216 1.000.00 ATOM 1441 C ALA2 684 23.777 59.26337.703 1.000.00 ATOM 1442 O ALA2 684 22.918 58.77738.450 1.000.00 ATOM 1443 CB ALA2 684 25.997 59.39638.746 1.000.00 ATOM 1444 H ALA2 684 23.143 60.89539.258 1.000.00 ATOM 1445 N VAL2 685 23.856 59.02336.390 1.000.00 ATOM 1446 CA VAL2 685 22.980 58.03435.757 1.000.00 ATOM 1447 C VAL2 685 23.389 56.65836.214 1.000.00 ATOM 1448 O VAL2 685 24.462 56.54636.812 1.000.00 ATOM 1449 CB VAL2 685 23.037 58.15634.233 1.000.00 ATOM 1450 CG1 VAL2 685 22.668 59.58333.856 1.000.00 ATOM 1451 CG2 VAL2 685 24.383 57.73933.631 1.000.00 ATOM 1452 H VAL2 685 24.583 59.48835.893 1.000.00 ATOM 1453 N GLU2 686 22.523 55.67435.975 1.000.00 ATOM 1454 CA GLU2 686 22.859 54.38836.583 1.000.00 ATOM 1455 C GLU2 686 24.055 53.71935.929 1.000.00 ATOM 1456 O GLU2 686 24.981 53.19236.559 1.000.00 ATOM 1457 CB GLU2 686 21.602 53.51136.601 1.000.00 ATOM 1458 CG GLU2 686 21.046 53.17337.998 1.000.00 ATOM 1459 CD GLU2 686 20.491 54.35838.794 1.000.00 ATOM 1460 OEl GLU2 686 20.766 55.51138.494 1.000.00 ATOM 1461 OE2 GLU2 686 19.757 54.13939.752 1.000.00 ATOM 1462 H GLU2 686 21.803 55.74835.284 1.000.00 ATOM 1463 N ASP2 687 24.039 53.84934.595 1.000.00 ATOM 1464 CA ASP2 687 25.102 53.26533.769 1.000.00 ATOM 1465 C ASP2 687 26.520 53.78234.061 1.000.00 ATOM 1466 O ASP2 687 27.550 53.25233.631 1.000.00 ATOM 1467 CB ASP2 687 24.701 53.39732.288 1.000.00 ATOM 1468 CG ASP2 687 23.210 53.10432.120 1.000.00 ATOM 1469 ODl ASP2 687 22.424 54.03932.036 1.000.00 ATOM 1470 OD2 ASP2 687 22.804 51.95132.115 1.000.00 ATOM 1471 H ASP2 687 23.221 54.26034.181 1.000.00 SUBSTITUTE SHEET (RULE 26) ATOM 1472 N GLY 688 26.544 54.866 34.8511.00 0.00 ATOM 1473 CA GLY 688 27.773 55.382 35.4341.00 0.00 ATOM 1474 C GLY 688 28.324 54.573 36.5951.00 0.00 ATOM 1475 O GLY 688 28.514 55.020 37.7301.00 0.00 ATOM 1476 H GLY 688 25.680 55:215 35.1921.00 0.00 ATOM 1477 N ALA 689 28.701 53.328 36.2341.00 0.00 ATOM 1478 CA ALA 689 29.587 52.607 37.1521.00 0.00 ATOM 1479 C ALA 689 30.813 53.458 37.4621.00 0.00 ATOM 1480 O ALA 689 30.929 54.029 38.5491.00 0.00 ATOM 1481 CB ALA 689 29.993 51.249 36.5711.00 0.00 ATOM 1482 H ALA 689 28.430 53.018 35.3221.00 0.00 ATOM 1483 N THR 690 31.620 53.627 36.3911.00 0.00 ATOM 1484 CA THR 690 32.630 54.686 36.3541.00 0.00 ATOM 1485 C THR 690 32.268 55.927 37.1591.00 0.00 ATOM 1486 O THR 690 32.825 56.139 38.2341.00 0.00 ATOM 1487 CB THR 690 32.930 55.031 34.8951.00 0.00 ATOM 1488 OGlTHR 690 31.709 55.049 34.1321.00 0.00 ATOM 1489 CG2THR 690 33.923 54.047 34.2731.00 0.00 ATOM 1490 H THR 690 31.523 53.058 35.5771.00 0.00 ATOM 1491 HG1THR 690 31.959 55.369 33.2661.00 0.00 ATOM 1492 N MET 691 31.251 56.655 36.6531.00 0.00 ATOM 1493 CA MET 691 30.851 57.935 37.2561.00 0.00 ATOM 1494 C MET 691 30.626 57.935 38.7611.00 0.00 ATOM 1495 O MET 691 31.390 58.479 39.5651.00 0.00 ATOM 1496 CB MET 691 29.598 58.505 36.5771.00 0.00 ATOM 1497 CG MET 691 29.625 58.614 35.0511.00 0.00 ATOM 1498 SD MET 691 28.003 59.100 34.4281.00 0.00 ATOM 1499 CE MET 691 28.079 58.266 32.8331.00 0.00 ATOM 1500 H MET 691 30.883 56.310 35.7881.00 0.00 ATOM 1501 N THR 692 29.506 57.302 39.1481.00 0.00 ATOM 1502 CA THR 692 29.107 57.441 40.5491.00 0.00 ATOM 1503 C THR 692 29.981 56.696 41.5291.00 0.00 1504 O THR 692 29.821 56.818 42.7421.00 0.00 ATOM THR 692 643 57.033 40.7551.00 0.00 ATOM 1505 CB 692 . 503 42.0241.00 0.00 ATOM 1506 OG1THR . . 586 00 0.00 ATOM 1507 CG2THR 692 27.452 55.521 . .

1508 H THR 692 28.986 56.739 38.5031.00 0.00 ATOM HG1THR 692 977 58.439 41.8831.00 0.00 ATOM 1509 693 . 852 40.9891.00 0.00 ATOM 1510 N PHE . . 41.9591.00 0.00 ATOM 1511 CA PHE 693 . . 109 00 0.00 ATOM 1512 C PHE 693 33.073 56.159 . .

ATOM 1513 O PHE 693 33.580 56.336 43.2151.00 0.00 ATOM 1514 CB PHE 32.106 53.832 41.7091.00 0.00 ATOM 1515 CG PHE 30.840 53.049 41.9921.00 0.00 ATOM 1516 CDl 30.173 52.396 40.9331.00 0.00 PHE

ATOM 1517 CD2 30.334 52.996 43.3101.00 0.00 PHE

ATOM 1518 CEl 28.972 51.705 41.1861.00 0.00 PHE

ATOM 1519 CE2 29.133 52.306 43.5681.00 0.00 PHE

1520 CZ PHE 28.459 51.676 42.5001.00 0.00 ATOM H PHE 30.981 55.720 39.9991.00 0.00 ATOM 1521 N PHE 495 56.711 40.9501.00 0.00 ATOM 1522 HE . 57.502 40.9351.00 0.00 ATOM 1523 CA P . 829 649 1.00 0.00 ATOM 1524 C PHE 34.577 . . 00 0 ATOM 1525 O PHE 35.347 59.171 42.5351. .

ATOM 1526 CB PHE 35.215 57.687 39.4931.00 0.00 1527 CG PHE 2 694 36.558 58.379 39.4291.00 0.00 ATOM CD1 2 694 36.627 59.686 38.9011.00 0.00 PHE

ATOM 1528 PHE 2 694 715 57.713 39.8901.00 0.00 ATOM 1529 CD2 . 340 38.8321.00 0.00 ATOM 1530 CE 1 2 694 . . 822 00 00 ATOM 1531 CE 2 2 694 38.961 58.365 . . .
PHE

M 1532 CZ PHE 2 694 39.027 59.672 39.2941.00 0.00 ATO PHE 2 694 005 56.602 40.0871.00 0.00 ATOM 1533 H 695 . 551 41.2641.00 0.00 ATOM 1534 N LYS 2 . . 42.0771.00 0.00 ATOM 1535 CA LYS 2 695 . . 537 1.00 0.00 ATOM 1536 C LYS 2 695 32.893 . . 00 0 ATOM 1537 O LYS 2 695 33.281 44.44 . .
61.099 LYS 2 695 31 61.426 41.4911.00 0.00 ATOM 1538 CB .

SUBSTITUTE SHEET (RULE 26) ATOM 1539 CG LYS 2695 32.170 62.64940.597 1.00 0.00 ATOM 1540 CD LYS 2695 32.771 63.88441.294 1.00 0.00 ATOM 1541 CE LYS 2695 32.697 65.12040.381 1.00 0.00 ATOM 1542 NZ LYS 2695 33.463 66.26740.8.921.00 0.00 ATOM 1543 H LYS 2695 32.910 59.23840.531 1.00 0.00 -ATOM 1544 1HZ LYS 2695 33.543 66.95840.122 1.00 0.00 ATOM 1545 2HZ-LYS 2695 33.000 66.73141.707 1.00 0.00 ATOM 1546 3HZ LYS 2695 34.429 65.96441.125 1.00 0.00 ATOM 1547 N LYS 2696 32.286 59.16543.731 1.00 0.00 ATOM 1548 CA LYS 2696 32.174 58.64745.093 1.00 0.00 ATOM 1549 C LYS 2696 33.478 58.57645.859 1.00 0.00 ATOM 1550 O LYS 2696 33.491 58.92047.030 1.00 0.00 ATOM 1551 CB LYS 2696 31.436 57.31145.144 1.00 0.00 ATOM 1552 CG LYS 2696 31.097 56.74046.520 1.00 0.00 ATOM 1553 CD LYS 2696 30.338 55.40846.464 1.00 0.00 ATOM 1554 CE LYS 2696 28.852 55.50046.085 1.00 0.00 ATOM 1555 NZ LYS 2696 28.631 55.76944.662 1.00 0.00 ATOM 1556 H LYS 2696 31.939 58.69742.920 1.00 0.00 ATOM 1557 1HZ LYS 2696 29.139 56.61144.318 1.00 0.00 ATOM 1558 2HZ LYS 2696 28.941 54.98044.073 1.00 0.00 ATOM 1559 3HZ LYS 2696 27.613 55.89844.508 1.00 0.00 ATOM 1560 N SER 2697 34.576 58.20745.174 1.00 0.00 ATOM 1561 CA SER 2697 35.897 58.18545.827 1.00 0.00 ATOM 1562 C SER 2697 36.302 59.43646.622 1.00 0.00 ATOM 1563 O SER 2697 37.083 59.40447.570 1.00 0.00 ATOM 1564 CB SER 2697 36.985 57.82444.811 1.00 0.00 ATOM 1565 OG SER 2697 36.514 56.83143.871 1.00 0.00 ATOM 1566 H SER 2697 34.467 57.84144.249 1.00 0.00 ATOM 1567 HG SER 2697 36.132 57.33943.152 1.00 0.00 ATOM 1568 N LYS 2698 35.666 60.55646.231 1.00 0.00 ATOM 1569 CA LYS 2698 35.780 61.77547.024 1.00 0.00 ATOM 1570 C LYS 2698 35.464 61.60848.509 1.00 0.00 ATOM 1571 O LYS 2698 36.235 62.05549.349 1.00 0.00 ATOM 1572 CB LYS 2698 35.031 62.92246.336 1.00 0.00 ATOM 1573 CG LYS 2698 35.640 64.29746.616 1.00 0.00 ATOM 1574 CD LYS 2698 35.141 65.38745.660 1.00 0.00 ATOM 1575 CE LYS 2698 35.556 66.79946.095 1.00 0.00 ATOM 1576 NZ LYS 2698 34.768 67.17347.272 1.00 0.00 ATOM 1577 H LYS 2698 35.141 60.52245.384 1.00 0.00 ATOM 1578 1HZ LYS 2698 33.776 67.37347.041 1.00 0.00 ATOM 1579 2HZ LYS 2698 34.752 66.39047.955 1.00 0.00 ATOM 1580 3HZ LYS 2698 35.143 67.99447.779 1.00 0.00 ATOM 1581 N ILE 2699 34.400 60.84848.828 1.00 0.00 ATOM 1582 CA ILE 2699 34.267 60.45550.239 1.00 0.00 ATOM 1583 C ILE 2699 35.421 59.61850.798 1.00 0.00 ATOM 1584 O ILE 2699 35.839 59.74051.943 1.00 0.00 ATOM 1585 CB ILE 2699 32.893 59.81150.541 1.00 0.00 ATOM 1586 CG1 ILE 2699 32.601 59.80652.044 1.00 0.00 ATOM 1587 CG2 ILE 2699 32.764 58.38549.985 1.00 0.00 ATOM 1588 CD1 ILE 2699 31.219 59.25052.394 1.00 0.00 ATOM 1589 H ILE 2699 33.857 60.43848.097 1.00 0.00 ATOM 1590 N SER 2700 35.968 58.74849.943 1.00 0.00 ATOM 1591 CA SER 2700 37.015 57.84650.434 1.00 0.00 ATOM 1592 C SER 2700 38.337 58.51150.826 1.00 0.00 ATOM 1593 O SER 2700 38.984 58.15851.805 1.00 0.00 ATOM 1594 CB SER 2700 37.187 56.71349.423 1.00 0.00 ATOM 1595 OG SER 2700 35.890 56.19149.087 1.00 0.00 ATOM 1596 H SER 2700 35.672 58.68248.988 1.00 0.00 ATOM 1597 HG SER 2700 35.948 55.26549.307 1.00 0.00 ATOM 1598 N THR 2701 38.675 59.54550.042 1.00 0.00 ATOM 1599 CA THR 2701 39.640 60.50850.566 1.00 0.00 ATOM 1600 C THR 2701 38.903 61.71751.116 1.00 0.00 ATOM 1601 O THR 2701 38.621 62.68650.420 1.00 0.00 ATOM 1602 CB THR 2701 40.652 60.89249.483 1.00 0.00 ATOM 1603 OG1 THR 2701 41.247 59.70948.931 1.00 0.00 ATOM 1604 CG2 THR 2701 41.749 61.82750.006 1.00 0.00 ATOM 1605 H THR 2701 38.194 59.74249.186 1.00 0.00 1~~
SUBSTITUTE SHEET (RULE 26) T

ATOM 1606 HGl THR 701 41.834 59.361 49.5971.00 0.00 ATOM 1607 N TYR 702 38.558 61.560 52.4031.00 0.00 ATOM 1608 CA TYR 702 37.478 62.310 53.0601.00 0.00 ATOM 1609 C TYR 702 37.190 63.788 52.8211.00 0:00 ATOM 1610 O TYR 702 37.393 64.633 53.6891.00 0.00 ATOM 1611 CB TYR 702 37.478 62.002 54.5631.00 0.00 ATOM 1612 CG--TYR 702 36.868 60.636 54.7411.00 0.00 ATOM 1613 CDl TYR 702 37.698 59.497 54.696I.00 0.00 ATOM 1614 CD2 TYR 702 35.470 60.541 54.8911.00 0.00 ATOM 1615 CE1 TYR 702 37.102 58.228 54.6731.00 0.00 ATOM 1616 CE2 TYR 702 34.875 59.271 54.8721.00 0.00 ATOM 1617 CZ TYR 702 35.697 58.139 54.7101.00 0.00 ATOM 1618 OH TYR 702 35.099 56.907 54.5591.00 0.00 ATOM 1619 H TYR 702 38.925 60.744 52.8531.00 0.00 ATOM 1620 HH TYR 702 35.731 56.250 54.8341.00 0.00 ATOM 1621 N ASP 703 36.579 64.027 51.6481.00 0.00 ATOM 1622 CA ASP 703 35.448 64.963 51.5881.00 0.00 ATOM 1623 C ASP 703 34.256 64.207 52.1371.00 0.00 ATOM 1624 O ASP 703 34.231 62.982 52.0661.00 0.00 ATOM 1625 CB ASP 703 35.219 65.378 50.1211.00 0.00 ATOM 1626 CG ASP 703 33.832 65.948 49.7881.00 0.00 ATOM 1627 OD1 ASP 703 33.269 66.703 50.5651.00 0.00 ATOM 1628 OD2 ASP 703 33.304 65.647 48.7211.00 0.00 ATOM 1629 H ASP 703 36.707 63.348 50.9241.00 0.00 ATOM 1630 N LYS 704 33.284 64.936 52.6921.00 0.00 ATOM 1631 CA LYS 704 32.109 64.199 53.1371.00 0.00 ATOM 1632 C LYS 704 31.292 63.620 51.9801.00 0.00 ATOM 1633 O LYS 704 30.785 62.506 52.0501.00 0.00 ATOM 1634 CB LYS 704 31.329 65.089 54.1171.00 0.00 ATOM 1635 CG LYS 704 30.131 64.468 54.8481. 0.00 ATOM 1636 CD LYS 704 28.823 64.667 54.0841.00 0.00 ATOM 1637 CE LYS 704 28.516 66.153 53.9061.00 0.00 ATOM 1638 NZ LYS 704 27.622 66.324 52.7671.00 0.00 ATOM 1639 H LYS 704 33.361 65.928 52.5851.00 0.00 ATOM 1640 1HZ LYS 704 27.777 67.229 52.2751.00 0.00 ATOM 1641 2HZ LYS 704 27.819 65.567 52.0901.00 0.00 ATOM 1642 3HZ LYS 704 26.643 66.266 53.0911.00 0.00 ATOM 1643 N MET 705 31.189 64.432 50.9141.00 0.00 ATOM 1644 CA MET 705 30.542 64.032 49.6551.00 0.00 ATOM 1645 C MET 705 29.030 63.795 49.6061.00 0.00 ATOM 1646 0 MET 705 28.391 63.984 48.5711.00 0.00 ATOM 1647 CB MET 705 31.298 62.880 48.9921.00 0.00 ATOM 1648 CG MET 705 31.066 62.787 47.4871.00 0.00 ATOM 1649 SD MET 705 31.326 61.114 46.9161.00 0.00 ATOM 1650 CE MET 705 30.137 60.314 48.0041.00 0.00 ATOM 1651 H MET 705 31.738 65.270 50.8811.00 0.00 ATOM 1652 N TRP 706 28.463 63.403 50.7671.00 0.00 1653 CA TRP 706 27.033 63.150 50.9921.00 0.00 ATOM C TRP 26.531 61.856 50.3801.00 0.00 ATOM 1654 TRP 956 61.431 49.3091.00 0.00 ATOM 1655 O 706 . 345 50.5941.00 0.00 ATOM 1656 CB TRP . . 51.4721.00 0.00 ATOM 1657 CG TRP 706 . . 877 1.00 0.00 ATOM 1658 CD1 24.871 . .
TRP

ATOM 1659 CD2 23.543 64.600 51.0581.00 0.00 TRP

ATOM 1660 NE1 23.598 64.510 53.3411.00 O.DO
TRP

ATOM 1661 CE2 22.743 64.646 52.2501.00 0.00 TRP

ATOM 1662 CE3 22.931 64.?16 49.7931.00 0.00 TRP

ATOM 1663 CZ2 21.345 64.809 52.1491.00 0.00 TRP

1664 CZ3 21.532 64.877 49.7081.00 0.00 TRP

ATOM TRP 743 64.924 50.8781.00 0.00 ATOM 1665 CH 2 . 077 51.4391. 0.00 ATOM 1666 H 2 . . 54.2871.00 0.00 ATOM 1667 HE l 2 . . 112 1.00 0.00 ATOM 1668 N ALA 2 25.59 . .

ATOM 1669 CA ALA 2 24.936 60.065 50.4921.00 0.00 1670 C ALA 2 24.117 60.520 49.3011.00 0.00 ATOM ALA 2 422 61.531 49.3821.00 0.00 ATOM 1671 O 7 . 360 51.4941.00 0.00 ATOM 1672 CB ALA 2 . .

1~1 SUBSTITUTE SHEET (RULE 26) ATOM 1673 H ALA2 707 25.199 61.681 51.906 1.00 0.00 ATOM 1674 N PHE2 708 _ 59.789 48.195 1.00 0.00 24.281 ATOM 1675 CA PHE2 708 23.842 60.323 46.909 1.00 0.00 ATOM 1676 C PHE2 708 23.476 59.232 45.913 1.00 0.00 ATOM 1677 O PHE2 708 23.516 58.033 46.207 1.00 0.00 ATOM 1678 CB PHE2 708 24.904 61.298 46.346 1.00 0.00 ATOM 1679 CG PHE2 708 26.047 60.590 45.643 1.00 0.00 ATOM 1680 CD7~PHE2 708 26.223 60.808 44.260 1.00 0.00 ATOM 1681 CD2-PHE 2 708 26.902 59.721 46.356 1.00 0.00 ATOM 1682 CE1 PHE2 708 27.259 60.144 43.577 1.00 0.00 ATOM 1683 CE2 PHE2 708 27'.936 59.054 45.673 1.00 0.00 ATOM 1684 CZ PHE2 708 28.107 59.274 44.291 1.00 0.00 ATOM 1685 H PHE2 708 24.801 58.939 48.225 1.00 0.00 ATOM 1686 N MET2 709 23.145 59.676 44.681 1.00 0.00 ATOM 1687 CA MET2 709 22.849 58.693 43.623 1.00 0.00 ATOM 1688 C MET2 709 23.980 57.725 43.342 1.00 0.00 ATOM 1689 O MET2 709 25.078 57.878 43.878 1.00 0.00 ATOM 1690 CB MET2 709 22.417 59.374 42.325 1.00 0.00 ATOM 1691 CG MET2 709 21.031 60.001 42.426 1.00 0.00 ATOM 1692 SD MET2 709 20.587 60.953 40.975 1.00 0.00 ATOM 1693 CE MET2 709 19.753 62.309 41.821 1.00 0.00 ATOM 1694 H MET2 709 22.986 60.660 44.585 1.00 0.00 ATOM 1695 N SER2 710 23.636 56.713 42.543 1.00 0.00 ATOM 1696 CA SER2 710 24.423 55.542 42.165 1.00 0.00 ATOM 1697 C SER2 710 23.439 54.677 41.431 1.00 0.00 ATOM 1698 O SER2 710 22.419 55.206 40.997 1.00 0.00 ATOM 1699 CB SER2 710 25.006 54.803 43.381 1.00 0.00 ATOM 1700 OG SER2 710 26.140 55.523 43.895 1.00 0.00 ATOM 1701 H SER2 710 22.760 56.797 42.070 1.00 0.00 ATOM 1702 HG SER2 710 26.128 56.357 43.406 1.00 0.00 ATOM 1703 N SER2 711 23.666 53.358 41.420 1.00 0.00 ATOM 1704 CA SER2 711 22.546 52.474 41.085 1.00 0.00 ATOM 1705 C SER2 711 21.407 52.431 42.110 1.00 0.00 ATOM 1706 O SER2 711 21.108 51.403 42.711 1.00 0.00 ATOM 1707 CB SER2 711 23.100 51.082 40.811 1.00 0.00 ATOM 1708 OG SER2 711 24.417 51.195 40.241 1.00 0.00 ATOM 1709 H SER2 711 24.580 52.983 41.580 1.00 0.00 ATOM 1710 HG SER2 711 24.286 51.393 39.309 1.00 0.00 ATOM 1711 N ARG2 712 20.803 53.617 42.308 1.00 0.00 ATOM 1712 CA ARG2 712 19.872 53.904 43.393 1.00 0.00 ATOM 1713 C ARG2 712 18.414 53.845 42.973 1.00 0.00 ATOM 1714 O ARG2 712 17.679 52.957 43.396 1.00 0.00 ATOM 1715 CB ARG2 712 20.193 55.272 44.036 1.00 0.00 ATOM 1716 CG ARG2 712 19.275 55.680 45.207 1.00 0.00 ATOM 1717 CD ARG2 712 19.446 57.136 45.664 1.00 0.00 ATOM 1718 NE ARG2 712 18.420 57.528 46.643 1.00 0.00 ATOM 1719 CZ ARG2 712 17.848 58.758 46.576 1.00 0.00 ATOM 1720 NH1 ARG2 712 16.902 59.114 47.439 1.00 0.00 ATOM 1721 NH2 ARG2 712 18.212 59.619 45.638 1.00 0.00 ATOM 1722 H ARG2 712 20.914 54.240 41.531 1.00 0.00 ATOM 1723 HE ARG2 712 18.245 56.916 47.424 1.00 0.00 ATOM 1724 1HH1ARG2 712 16.450 60.009 47.337 1.00 0.00 ATOM 1725 2HH1ARG2 712 16.606 58.527 48.194 1.00 0.00 ATOM 1726 1HH2ARG2 712 17.916 60.586 45.668 1.00 0.00 ATOM 1727 2HH2ARG2 712 18.864 59.400 44.905 1.00 0.00 ATOM 1728 N ARG2 713 18.000 54.879 42.202 1.00 0.00 ATOM 1729 CA ARG2 713 16.554 54.989 41.976 1.00 0.00 ATOM 1730 C ARG2 713 16.099 54.148 40.813 1.00 0.00 ATOM 1731 O ARG2 713 15.844 54.647 39.723 1.00 0.00 ATOM 1732 CB ARG2 713 16.089 56.436 41.770 1.00 0.00 ATOM 1733 CG ARG2 713 15.991 57.279 43.041 1.00 0.00 ATOM 1734 CD ARG2 713 15.538 58.720 42.772 1.00 0.00 ATOM 1735 NE ARG2 713 14.185 58.808 42.206 1.00 0.00 ATOM 1736 CZ ARG2 713 13.375 59.848 42.548 1.00 0.00 ATOM 1737 NH1 ARG2 713 12.131 59.910 42.078 1.00 0.00 ATOM 1738 NH2 ARG2 713 13.820 60.821 43.336 1.00 0.00 ATOM 1739 H ARG2 713 18.705 55.336 41.656 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1740 HE ARG 2 713 13.902 58.167 41.481 1.00 0.00 ATOM 1741 1HH1 ARG 2 713 11.508 60.659 42.311 1.00 0.00 ATOM 1742 2HH1 ARG 2 713 11.786 59.194 41.463 1.00 0.00 ATOM 1743 1HH2 ARG 2 713 13.202 61.558 43.614 1.00 0.00 ATOM 1744 2HH2 ARG 2 713 14.778 60:-823 43.629 1.00 0.00 ATOM 1745 N GLN 2 714 16.033 52.858 41.115 1.00 0.00 ATOM 1746 CA~-GLN 2 714 15.762 51.909 40.057 1.00 0.00 ATOM 1747 C GLN 2 714 14.300 51.658 39.736 1.00 0.00 ATOM 1748 O GIN 2 714 13.684 50.664 40.118 I.00 0.00 ATOM 1749 CB GLN 2 714 16.598 50.637 40.270 1.00 0.00 ATOM 1750 CG GLN 2 714 16.673 50.106 41.707 1.00 0.00 ATOM 1751 CD GIN 2 714 15.380 49.426 42.097 1.00 0.00 ATOM 1752 OE1 GLN 2 714 14.503 49.941 42.779 1.00 0.00 ATOM 1753 NE2 GLN 2 714 15.288 48.173 41.651 1.00 0.00 ATOM 1754 H GLN 2 714 16.150 52.592 42.072 1.00 0.00 ATOM 1755 1HE2 GLN 2 714 14.495 47.608 41.890 1.00 0.00 ATOM 1756 2HE2 GLN 2 714 16.007 47.798 41.063 1.00 0.00 ATOM 1757 N SER 2 715 13.763 52.585 38.935 1.00 0.00 ATOM 1758 CA SER 2 715 12.535 52.218 38.233 1.00 0.00 ATOM 1759 C SER 2 715 12.744 51.316 37.013 1.00 0.00 ATOM 1760 O SER 2 715 12.556 51.725 35.871 1.00 0.00 ATOM 1761 CB SER 2 715 11.716 53.462 37.870 1.00 0.00 ATOM 1762 OG SER 2 715 12.112 54.586 38.675 1.00 0.00 ATOM 1763 H SER 2 715 14.267 53.428 38.747 1.00 0.00 ATOM 1764 HG SER 2 715 12.869 54.938 38.202 1.00 0.00 ATOM 1765 N VAL 2 716 13.098 50.063 37.348 1.00 0.00 ATOM 1766 CA VAL 2 716 13.325 48.973 36.396 1.00 0.00 ATOM 1767 C VAL 2 716 14.542 49.114 35.481 1.00 0.00 ATOM 1768 0 VAL 2 716 15.597 48.552 35.769 1.00 0.00 ATOM 1769 CB VAL 2 716 12.039 48.575 35.633 1.00 0.00 ATOM 1770 CG1 VAL 2 716 12.206 47.238 34.903 1.00 0.00 ATOM 1771 CG2 VAL 2 716 10.827 48.505 36.569 1.00 0.00 ATOM 1772 H VAL 2 716 13.338 49.918 38.306 1.00 0.00 ATOM 1773 N LEU 2 717 14.341 49.817 34.360 1.00 0.00 ATOM 1774 CA LEU 2 717 15.383 49.782 33.331 1.00 0.00 ATOM 1775 C LEU 2 7I7 16.115 51.094 33.198 1.00 0.00 ATOM 1776 O LEU 2 717 15.682 52.115 33.720 1.00 0.00 ATOM 1777 CB LEU 2 717 14.796 49.387 31.974 1.00 0.00 ATOM 1778 CG LEU 2 717 14.361 47.923 31.889 1.00 0.00 ATOM 1779 CDl LEU 2 717 13.643 47.626 30.572 1.00 0.00 ATOM 1780 CD2 LEU 2 717 15.527 46.961 32.134 1.00 0.00 ATOM 1781 H LEU 2 717 13.563 50.443 34.332 1.00 0.00 ATOM 1782 N VAL 2 718 17.230 51.044 32.453 1.00 0.00 ATOM 1783 CA VAL 2 718 18.124 52.185 32.183 1.00 0.00 ATOM 1784 C VAL 2 718 17.494 53.580 32.265 1.00 0.00 ATOM 1785 O VAL 2 718 17.775 54.374 33.169 1.00 0.00 ATOM 1786 CB VAL 2 718 18.829 51.959 30.825 1.00 0.00 ATOM 1787 CG1 VAL 2 718 19.740 53.116 30.397 1.00 0.00 ATOM 1788 CG2 VAL 2 718 19.600 50.637 30.826 1.00 0.00 ATOM 1789 H VAL 2 718 17.490 50.138 32.125 1.00 0.00 ATOM 1790 N LYS 2 719 16.600 53.825 31.281 1.00 0.00 ATOM 1791 CA LYS 2 719 15.978 55.143 31.127 1.00 0.00 ATOM 1792 C LYS 2 719 15.116 55.591 32.298 1.00 0.00 ATOM 1793 O LYS 2 719 14.860 56.769 32.528 1.00 0.00 ATOM 1794 CB LYS 2 719 15.203 55.170 29.795 1.00 0.00 ATOM 1795 CG LYS 2 719 14.316 56.399 29.533 1.00 0.00 ATOM 1796 CD LYS 2 719 12.825 56.140 29.783 1.00 0.00 ATOM 1797 CE LYS 2 719 12.097 57.278 30.510 1.00 0.00 ATOM 1798 NZ LYS 2 719 12.287 57.178 31.961 1.00 0.00 ATOM 1799 H LYS 2 719 16.459 53.094 30.614 1.00 0.00 ATOM 1800 1HZ LYS 2 719 11.773 57.930 32.457 1.00 0.00 ATOM 1801 2HZ LYS 2 719 11.899 56.285 32.320 1.00 0.00 ATOM 1802 3HZ LYS 2 719 13.279 57.230 32.264 1.00 0.00 ATOM 1803 N SER 2 720 14.601 54.601 33.033 1.00 0.00 ATOM 1804 CA SER 2 720 13.696 54.968 34.121 1.00 0.00 ATOM 1805 C SER 2 720 14.274 54.812 35.514 1.00 0.00 ATOM 1806 O SER 2 720 13.766 55.314 36.519 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1807 CB SER2 720 12.369 54.265 33.8901.00 0.00 ATOM 1808 OG SER2 720 11.939 54.628 32.5651.00 0.00 ATOM 1809 H SER2 720 14.854 53.650 32.8521.00 0._00 ATOM 1810 HG SER2 720 11.261 53.994 32.33-31.00 0.00 ATOM 1811 N ASN2 721 15.456 54:18-135.4911.00 0.00 ATOM 1812 CA ASN2 721 16.316 54.270 36.6631.00 0.00 ATOM 1813 _ ASN2 721 16.806 55.701 36.7851.00 0.00 C
-ATOM 1814 O ASN2 721 16.285 56.486 37.5821.00 0.00 ATOM 1815 CB ASN2 721 17-.423 53.194 36.6011.00 0.00 ATOM 1816 CG ASN2 721 16.778 51.815 36.6601.00 0.00 ATOM 1817 OD1 ASN2 721 15.625 51.687 37.0501.00 0.00 ATOM 1818 ND2 ASN2 721 17.510 50.795 36.2101.''00.00 ATOM 1819 H ASN2 721 15.763 53.733 34.6511.~0 0.00 ATOM 1820 1HD2ASN2 721 17.063 49.893 36.1731.00 0.00 ATOM 1821 2HD2ASN2 721 18.448 50.888 35.8711.00 0.00 ATOM 1822 N GLU2 722 17.759 56.025 35.9051.00 0.00 ATOM 1823 CA GLU2 722 18.148 57.403 35.6251.00 0.00 ATOM 1824 C GLU2 722 17.061 58.480 35.7731.00 0.00 ATOM 1825 O GLU2 722 17.243 59.481 36.4761.00 0.00 ATOM 1826 CB GLU2 722 18.828 57.331 34.2471.00 0.00 ATOM 1827 CG GLU2 722 19.229 58.604 33.4951.00 0.00 ATOM 1828 CD GLU2 722 18.030 59.302 32.8941.00 0.00 ATOM 1829 OE1 GLU2 722 17.051 58.635 32.5771.00 0.00 ATOM 1830 OE2 GLU2 722 18.067 60.519 32.7531.00 0.00 ATOM 1831 H GLU2 722 18.155 55.306 35.3431.00 0.00 ATOM 1832 N GLU2 723 15.909 58.251 35.1031.00 0.00 ATOM 1833 CA GLU2 723 14.983 59.315 34.6711.00 0.00 ATOM 1834 C GLU2 723 15.211 60.748 35.1281.00 0.00 ATOM 1835 O GLU2 723 14.765 61.190 36.1901.00 0.00 ATOM 1836 CB GLU2 723 13.516 58.888 34.8171.00 0.00 ATOM 1837 CG GLU2 723 12.525 59.781 34.0371.00 0.00 ATOM 1838 CD GLU2 723 11.149 59.134 33.8831.00 0.00 ATOM 1839 OE1 GLU2 723 11.006 57.952 34.1761.00 0.00 ATOM 1840 OE2 GLU2 723 10.217 59.781 33.4111.00 0.00 ATOM 1841 H GLU2 723 15.847 57.345 34.6961.00 0.00 ATOM 1842 N GLY2 724 15.897 61.486 34.2491.00 0.00 ATOM 1843 CA GLY2 724 16.315 62.875 34.4831.00 0.00 ATOM 1844 C GLY2 724 15.229 63.938 34.3651.00 0.00 ATOM 1845 O GLY2 724 15.289 64.893 33.5911.00 0.00 ATOM 1846 H GLY2 724 16.286 60.937 33.5031.00 0.00 ATOM 1847 N ILE2 725 14.201 63.692 35.1901.00 0.00 ATOM 1848 CA ILE2 725 13.028 64.533 35.4211.00 0.00 ATOM 1849 C ILE2 725 12.272 64.OD1 36.6361.00 0.00 ATOM 1850 O ILE2 725 11.971 64.724 37.5781.00 0.00 ATOM 1851 CB ILE2 725 12.139 64.708 34.1661.00 0.00 ATOM 1852 CG1 ILE2 725 1D.879 65.526 34.4761.00 0.00 ATOM 1853 CG2 ILE2 725 11.773 63.376 33.4981.00 0.00 ATOM 1854 CD1 ILE2 725 10.050 65.867 33.2371.00 0.00 ATOM 1855 H ILE2 725 14.356 62.943 35.8281.00 0.00 ATOM 1856 N GLN2 726 12.065 62.667 36.6531.00 0.00 ATOM 1857 CA GLN2 726 11.506 62.025 37.8511.00 0.00 ATOM 1858 C GLN2 726 12.336 62.322 39.1OD1.00 0.00 ATOM 1859 O GLN2 726 11.862 62.703 40.1731.00 0.00 ATOM 1860 CB GLN2 726 11.389 60.529 37.5331.00 0.00 ATOM 1861 CG GLN2 726 10.910 59.559 38.6151.00 0.00 ATOM 1862 CD GLN2 726 12.014 58.549 38.8721.00 0.00 ATOM 1863 OE1 GLN2 726 12.623 58.521 39.9381.00 0.00 ATOM 1864 NE2 GLN2 726 12.327 57.777 37.8301.00 0.00 ATOM 1865 H GLN2 726 12.375 62.138 35.8641.00 0.00 ATOM 1866 1HE2GLN2 726 13.137 57.187 37.8521.00 0.00 ATOM 1867 2HE2GLN2 726 11.784 57.787 36.9871.00 0.00 ATOM 1868 N ARG2 727 13.666 62.187 38,.8781.00 0.00 ATOM 1869 CA ARG2 727 14.569 62.634 39.9411.00 0.00 ATOM 1870 C ARG2 727 14.462 64.140 40.2081.00 0.00 ATOM 1871 O ARG2 727 13.927 64.564 41.2281.00 0.00 ATOM 1872 CB ARG2 727 16.020 62.156 39.6911.00 0.00 ATOM 1873 CG ARG2 727 16.160 60.626 39.5511.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1874 CD ARG 727 17.594 60.04839.515 1.000.00 ATOM 1875 NE ARG 727 17.547 58.60039.272 1.000.00 ATOM 1876 CZ ARG 727 18.563 57.71139.345 1.000_.00 ATOM 1877 NHl ARG 727 18.279 56.43739.205 1.000.00 ATOM 1878 NH2 ARG 727 19.829 58:04639.543 1.000.00 ATOM 1879 H ARG 727 14.013 61.92037.975 1.000.00 ATOM 1880 H~- ARG 727 16.659 58.23838.960 1.000.00 ATOM 1881 ARG 727 19.002 55.73439.262 1.000.00 ATOM 1882 ARG 727 17.342 56.13638.985 1.000.00 ATOM 1883 ARG 727 20.521 57.30639.498 1.000.00 ATOM 1884 ARG 727 20.131 58.98339.705 1.000.00 ATOM 1885 N VAL 728 14.914 64.91339.204 1.000.00 ATOM 1886 CA VAL 728 15.109 66.36139.398 1.000.00 ATOM 1887 C VAL 728 13.907 67.15439.927 1.000.00 ATOM 1888 O VAL 728 14.000 68.03040.793 1.000.00 ATOM 1889 CB VAL 728 15.628 66.98238.087 1.000.00 ATOM 1890 CG1 VAL 728 15.968 68.46438.248 1.000.00 ATOM 1891 CG2 VAL 728 16.824 66.20837.524 1.000.00 ATOM 1892 H VAL 728 15.208 64.49138.349 1.000.00 ATOM 1893 N LEU 729 12.763 66.81339.331 1.000.00 ATOM 1894 CA LEU 729 11.544 67.55739.633 1.000.00 ATOM 1895 C LEU 729 10.735 66.97740.773 1.000.00 ATOM 1896 O LEU 729 9.604 67.37241.053 1.000.00 ATOM 1897 CB LEU 729 10.692 67.70838.370 1.000.00 ATOM 1898 CG LEU 729 10.761 69.09937.728 1.000.00 ATOM 1899 CD1 LEU 729 12.188 69.56837.439 1.000.00 ATOM 1900 CD2 LEU 729 9.883 69.17236.478 1.000.00 ATOM 1901 H LEU 729 12.717 66.03338.714 1.000.00 ATOM 1902 N THR 730 11.354 66.00441.461 1.000.00 ATOM 1903 CA THR 730 10.730 65.79942.754 1.000.00 ATOM 1904 C THR 730 11.425 66.56843.852 1.000.00 ATOM 1905 O THR 730 10.765 67.05144.761 1.000.00 ATOM 1906 CB THR 730 10.544 64.32343.110 1.000.00 ATOM 1907 OG1 THR 730 11.735 63.57142.814 1.000.00 ATOM 1908 CG2 THR 730 9.350 63.72042.367 1.000.00 ATOM 1909 H THR 730 12.291 65.75241.231 1.000.00 ATOM 1910 HGl THR 730 11.643 63.29141.899 1.000.00 1911 N SER 731 12.770 66.68843.773 1.000.00 ATOM 1912 CA SER 731 13.395 67.30844.955 1.000.00 ATOM SER 731 793 67.90344.842 1.000.00 ATOM 1913 C 2 731 . 776 45.769 1.000.00 ATOM 1914 O SER . . 46.149 1.000.00 ATOM 1915 CB SER 731 . . 677 1.000.00 ATOM 1916 OG SER 731 13.485 . . 00 ATOM 1917 H SER 731 13.294 66.36642.980 1.00.

ATOM 1918 HG SER 731 12.718 64.55546.067 1.000.00 1919 N ASP 732 15.096 68.53343.686 1.000.00 ATOM 1920 CA ASP 732 16.363 69.27043.457 1.000.00 ATO ASP 732 17.567 69.02244.401 1.000.00 ATOM 1921 C ASP 17 69.81945.287 1.000.00 ATOM 1922 O ASP . 70.76543.249 1.000.00 ATOM 1923 C 2 . 502 44.547 1.000.00 ATOM 1924 CG . . 44.758 1.000.00 ATOM 1925 OD 1 732 . . 384 1.000.00 ATOM 1926 OD2 14.997 . . 00 00 ATOM 1927 H ASP 14.421 68.54542.94 . .

ATOM 1928 N TYR 18.221 67.83344.269 1.000.00 ATOM 1929 CA TYR 18.285 66.86543.151 1.000.00 ATOM 1930 C TYR 18.880 67.40841.867 1.000.00 ATOM 1931 O TYR 18.205 67.88140.953 1.000.00 1932 CB TYR 17.014 66.02742.878 1.000.00 ATOM CG TYR 16.822 64.87843.852 1.000.00 ATOM 1933 1 560 63.59743.322 1.000.00 ATOM 1934 CD 2 . 65.09545.244 1.000.00 ATOM 1935 CD 2 . 514 44.197 1.000.00 ATOM 1936 CEl 2 . . 46.120 1.000.00 ATOM 1937 CE 2 2 . . 587 1.000.00 ATOM 1938 CZ TYR 2 16.439 . . 00 00 ATOM 1939 OH 2 16.300 61.659. . .

ATOM 1940 H TYR 2 18.852 67.72945.033 1.00.

SUBSTITUTE SHEET (RULE 26) ATOM 1941 HH TYR2 733 16.619 61.979 47.309 1.00 0.00 ATOM 1942 N ALA2 734 20.218 67.306 41.907 1.00 0.00 ATOM 1943 CA ALA2 734 21.077 67.590 40.769 1.00 0.00 ATOM 1944 C ALA2 734 21.526 66.261 40.227 1.00 0.-00 ATOM 1945 O ALA2 734 21.637 65.289 40.974 1.00 0.00 ATOM 1946 CB ALA2 734 22.323 68.340 41.231 1.00 0.00 ATOM 1947 H ALA2 734 20.603 66.800 42.673 1.00 0.00 ~_ ATOM 1948 N PHE2 735 21.785 66.235 38.924 1.00 0.00 ATOM 1949 CA PHE2 735 21.983 64.948 38.255 1.00 0.00 ATOM 1950 C PHE2 735 23.196 65.001 37.346 1.00 0.00 ATOM 1951 O PHE2 735 23.471 66.067 36.806 1.00 0.00 ATOM 1952 CB PHE2 735 20.686 64.637 37.501 1.00 0.00 ATOM 1953 CG PHE2 735 20.576 63.197 37.066 1.00 0.00 ATOM 1954 CDl PHE2 735 20.179 62.924 35.740 1.00 0.00 ATOM 1955 CD2 PHE2 735 20.835 62.157 37.984 1.00 0.00 ATOM 1956 CEl PHE2 735 20.007 61.589 35.336 1.00 0.00 ATOM 1957 CE2 PHE2 735 20.667 60.821 37.579 1.00 0.00 ATOM 1958 CZ PHE2 735 20.241 60.553 36.264 1.00 0.00 ATOM 1959 H PHE2 735 21.748 67.124 38.467 1.00 0.00 ATOM 1960 N LEU2 736 23.917 63.884 37.221 1.00 0.00 ATOM 1961 CA LEU2 736 25.170 63.983 36.474 1.00 0.00 ATOM 1962 C LEU2 736 25.212 63.021 35.306 1.00 0.00 ATOM 1963 O LEU2 736 24.709 61.897 35.394 1.00 0.00 ATOM 1964 CB LEU2 736 26.379 63.709 37.373 1.00 0.00 ATOM 1965 CG LEU2 736 26.969 64.904 38.129 1.00 0.00 ATOM 1966 CD1 LEU2 736 26.018 65.519 39.151 1.00 0.00 ATOM 1967 CD2 LEU2 736 28.295 64.534 38.789 1.00 0.00 ATOM 1968 H LEU2 736 23.651 63.035 37.662 1.00 0.00 ATOM 1969 N MET2 737 25.838 63.500 34.214 1.00 0.00 ATOM 1970 CA MET2 737 26.210 62.671 33.054 1.00 0.00 ATOM 19'71C MET2 737 27.184 63.399 32.118 1.00 0.00 ATOM 1972 O MET2 737 27.359 64.619 32.122 1.00 0.00 ATOM 1973 CB MET2 737 24.980 62.158 32.270 1.00 0.00 ATOM 1974 CG MET2 737 25.179 60.877 31.445 1.00 0.00 ATOM 1975 SD MET2 737 24.226 60.767 29.910 1.00 0.00 ATOM 1976 CE MET2 737 22.550 60.897 30.552 1.00 0.00 ATOM 1977 H MET2 737 26.069 64.478 34.197 1.00 0.00 ATOM 1978 N GLU2 738 27.863 62.582 31.307 1.00 0.00 ATOM 1979 CA GLU2 738 28.806 63.117 30.338 1.00 0.00 ATOM 1980 C GLU2 738 28.153 63.638 29.056 1.00 0.00 ATOM 1981 O GLU2 738 27.851 64.825 28.907 1.00 0.00 ATOM 1982 CB GLU2 738 29.903 62.067 30.117 1.00 0.00 ATOM 1983 CG GLU2 738 30.615 61.662 31.418 1.00 0.00 ATOM 1984 CD GLU2 738 31.354 60.340 31.264 1.00 0.00 ATOM 1985 OEl GLU2 738 30.855 59.317 31.696 1.00 0.00 ATOM 1986 OE2 GLU2 738 32.430 60.286 30.697 1.00 0.00 ATOM 1987 H GLU2 738 27.597 61.625 31.323 1.00 0.00 ATOM 1988 N SER2 739 27.943 62.706 28.118 1.00 0.00 ATOM 1989 CA SER2 739 27.403 63.116 26.825 1.00 0.00 ATOM 1990 C SER2 739 25.943 63.550 26.853 1.00 0.00 ATOM 1991 O SER2 739 25.594 64.736 26.922 1.00 0.00 ATOM 1992 CB SER2 739 27.625 62.014 25.785 1.00 0.00 ATOM 1993 OG SER2 739 28.729 61.156 26.144 1.00 0.00 ATOM 1994 H SER2 739 28.181 61.749 28.262 1.00 0.00 ATOM 1995 HG SER2 739 29.161 60.908 25.325 1.00 0.00 ATOM 1996 N THR2 740 25.062 62.549 26.830 1.00 0.00 ATOM 1997 CA THR2 740 23.662 62.894 26.716 1.00 0.00 ATOM 1998 C THR2 740 22.988 63.536 27.918 1.00 0.00 ATOM 1999 O THR2 740 21.771 63.730 27.920 1.00 0.00 ATOM 2000 CB THR2 740 22.888 61.689 26.188 1.00 0.00 ATOM 2001 OG1 THR2 740 23.581 60.450 26.471 1.00 0.00 ATOM 2002 CG2 THR2 740 22.568 61.862 24.703 1.00 0.00 ATOM 2003 H THR2 740 25.357 61.611 26.683 1.00 0.00 ATOM 2004 HG1 THR2 740 23.522 60.384 27.426 1.00 0.00 ATOM 2005 N THR 741 23.772 63.917 28.948 1.00 0.00 ATOM 2006 CA THR 741 23.120 64.801 29.924 1.00 0.00 ATOM 2007 C THR 741 22.608 66.102 29.346 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2008 O THR 2 741 21.622 66.673 29.815 1.00 0.00 ATOM 2009 CB TBR 2 741 23.957 65.101 31.164 1.00 0.00 ATOM 2010 OG1 THR 2 741 23.113 65.508 32.262 1.00 0.00 ATOM 2011 CG2 THR 2 741 25.062 66.113 30.886 1.00 0.00 ATOM 2012 H THR 2 741 24.717 63.587 29.019 1.00 0.00 ATOM 2013 HG1 THR 2 741 22.789 66.381 32.047 1.00 0.00 ATOM 2014 N --ILE 2 742 23.294 66.543 28.276 1.00 0.00 ATOM 2015 CA ILE 2 742 22.585 67.492 27.439 1.00 0.00 ATOM 2016 C ILE 2 742 21.449 66.769 26.707 1.00 0.00 ATOM 2017 0 ILE 2 742 20.472 66.452 27.382 1.00 0.00 ATOM 2018 CB ILE 2 742 23.576 68.377 26.649 1.00 0.00 ATOM 2019 CG1 ILE 2 742 22.895 69.467 25.815 1.00 0.00 ATOM 2020 CG2 ILE 2 742 24.599 67.559 25.845 1.00 0.00 ATOM 2021 CD1 ILE 2 742 23.885 70.469 25.217 1.00 0.00 ATOM 2022 H ILE 2 742 24.127 66.076 27.988 1.00 0.00 ATOM 2023 N GLU 2 743 21.553 66.470 25.397 1.00 0.00 ATOM 2024 CA GLU 2 743 20.388 65.938 24.666 1.00 0.00 ATOM 2025 C GLU 2 743 19.367 65.096 25.435 1.00 0.00 ATOM 2026 O GLU 2 743 18.205 65.475 25.589 1.00 0.00 ATOM 2027 CB GLU 2 743 20.758 65.189 23.370 1.00 0.00 ATOM 2028 CG GLU 2 743 22.028 65.570 22.592 1.00 0.00 ATOM 2029 CD GLU 2 743 22.174 67.069 22.420 1.00 0.00 ATOM 2030 OE1 GLU 2 743 21.469 67.690 21.632 I.00 0.00 ATOM 2031 OE2 GLU 2 743 23.020 67.637 23.091 1.00 0.00 ATOM 2032 H GLU 2 743 22.351 66.762 24.869 1.00 0.00 ATOM 2033 N PHE 2 744 19.826 63.932 25.952 1.00 0.00 ATOM 2034 CA PHE 2 744 18.873 63.053 26.654 1.00 0.00 ATOM 2035 C PHE 2 744 18.194 63.689 27.860 1.00 0.00 ATOM 2036 O PHE 2 744 16.974 63.703 28.005 1.00 0.00 ATOM 2037 CB PHE 2 744 19.524 61.713 27.036 1.00 0.00 ATOM 2038 CG PHE 2 744 18.532 60.701 27.566 1.00 0.00 ATOM 2039 CD1 PHE 2 744 17.975 59.756 26.678 1.00 0.00 ATOM 2040 CD2 PHE 2 744 18.183 60.712 28.935 1.00 0.00 ATOM 2041 CE1 PHE 2 744 17.037 58.824 27.161 1.00 0.00 ATOM 2042 CE2 PHE 2.744 17.245 59.781 29.419 1.00 0.00 ATOM 2043 CZ PHE 2 744 16.677 58.852 28.524 1.00 0.00 ATOM 2044 H PHE 2 744 20.816 63.78b 25.949 1.00 0.00 ATOM 2045 N VAL 2 745 19.023 64.255 28.739 1.00 0.00 ATOM 2046 CA VAL 2 745 18.406 64.895 29.902 1.00 0.00 ATOM 2047 C VAL 2 745 17.830 66.280 29.594 1.00 0.00 ATOM 2048 O VAL 2 745 17.239 66.943 30.433 1.00 0.00 ATOM 2049 CB VAL 2 745 19.381 64.871 31.102 1.00 0.00 ATOM 2050 CG1 VAL 2 745 18.799 65.384 32.425 1.00 0.00 ATOM 2051 CG2 VAL 2 745 19.896 63.446 31.308 1.00 0.00 ATOM 2052 H VAL 2 745 20.008 64.255 28.573 1.00 0.00 ATOM 2053 N THR 2 746 17.965 66.721 28.338 1.00 0.00 ATOM 2054 CA THR 2 746 17.484 68.088 28.135 1.00 0.00 ATOM 2055 C THR 2 746 16.289 68.254 27.201 1.00 0.00 ATOM 2056 O THR 2 746 15.588 6.9.267 27.157 1.00 0.00 ATOM 2057 CB THR 2 746 18.664 69.021 27.841 1.00 0.00 ATOM 2058 OG1 THR 2 746 18.511 70.236 28.580 1.00 0.00 ATOM 2059 CG2 THR 2 746 18.912 69.297 26.353 1.00 0.00 ATOM 2060 H THR 2 746 18.415 66.193 27.617 1.00 0.00 ATOM 2061 HG1 THR 2 746 18.091 70.008 29.415 1.00 0.00 ATOM 2062 N GLN 2 747 16.042 67.136 26.501 1.00 0.00 ATOM 2063 CA GLN 2 747 14.660 66.889 26.110 1.00 0.00 ATOM 2064 C GLN 2 747 13.847 66.563 27.363 1.00 0.00 ATOM 2065 O GLN 2 747 12.682 66.903 27.529 1.00 0.00 ATOM 2066 CB GLN 2 747 14.657 65.735 25.108 1.00 0.00 ATOM 2067 CG GLN 2 747 15.551 65.970 23.883 1.00 0.00 ATOM 2068 CD GLN 2 747 16.083 64.649 23.344 1.00 0.00 ATOM 2069 OE1 GLN 2 747 15.480 63.584 23.456 1.00 0.00 ATOM 2070 NE2 GLN 2 747 17.269 64.751 22.751 1.00 0.00 ATOM 2071 H GLN 2 747 16.693 66.379 26.556 1.00 0.00 ATOM 2072 1HE2 GLN 2 747 17.716 63.990 22.281 1.00 0.00 ATOM 2073 2HE2 GLN 2 747 17.739 65.635 22.771 1.00 0.00 ATOM 2074 N ARG 2 748 14.564 65.901 28.288 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2075 CA ARG2 748 13.916 65.536 29.5481.00 0.00 ATOM 2076 C ARG2 748 13.769 66.610 30.6311.00 0.00 ATOM 2077 O ARG2 748 12.900 66.488 31.4991.00 0.00 ATOM 2078 CB ARG2 748 14.532 64.24 30.0931.00 0.00 ATOM 2079 CG ARG2 748 13.731 62.970 29.7591.00 0.00 ATOM 2080 CD ARG2 748 13.480 62.667 28.2711.00 0.00 ATOM 2081 NE~-ARG2 748 14.703 62.318 27.5471.00 0.00 ATOM 2082 CZ ARG2 748 14.749 62.301 26.1941.00 0.00 ATOM 2083 NH1 ARG2 748 15-.865 61.942 25.5821.00 0.00 ATOM 2084 NH2 ARG2 748 13.706 62.663 25.4541.00 0.00 ATOM 2085 H ARG2 748 15.528 65.682 28.1431.00 0.00 ATOM 2086 HE ARG2 748 15.537 62.117 28.0731.00 0.00 ATOM 2087 1HH1ARG2 748 16.654 61.622 26.1041.00 0.00 ATOM 2088 2HH1ARG2 748 15.943 61.981 24.5821.00 0.00 ATOM 2089 1HH2ARG2 748 13.829 62.798 24.4621.00 0.00 ATOM 2090 2HH2ARG2 748 12.800 62.832 25.8441.00 0.00 ATOM 2091 N ASN2 749 14.582 67.690 30.5511.00 0.00 ATOM 2092 CA ASN2 749 14.419 68.698 31.6161.00 0.00 ATOM 2093 C ASN2 749 14.864 70.147 31.3721.00 0.00 ATOM 2094 O ASN2 749 15.126 70.888 32.3301.00 0.00 ATOM 2095 CB ASN2 749 15.013 68.174 32.9411.00 0.00 ATOM 2096 CG ASN2 749 14.174 68.558 34.1571.00 0.00 ATOM 2097 OD1 ASN2 749 14.684 68.984 35.1891.00 0.00 ATOM 2098 ND2 ASN2 749 12.859 68.334 34.0091.00 0.00 ATOM 2099 H ASN2 749 15.428 67.595 30.0331.00 0.00 ATOM 2100 1HD2ASN2 749 12.213 68.537 34.7441.00 0.00 ATOM 2101 2HD2ASN2 749 12.501 67.900 33.1781.00 0.00 ATOM 2102 N CYS2 750 14.929 70.515 30.0631.00 0.00 ATOM 2103 CA CYS2 750 15.353 71.842 29.5591.00 0.00 ATOM 2104 C CYS2 750 16.754 72.214 30.0081.00 0.00 ATOM 2105 O CYS2 750 17.281 71.474 30.8251.00 0.00 ATOM 2106 CB CYS2 750 14.327 72.947 29.8621.00 0.00 ATOM 2107 SG CYS2 750 14.008 73.318 31.6081.00 0.00 ATOM 2108 H CYS2 750 14.736 69.789 29.4091.00 0.00 ATOM 2109 N ASN2 751 17.373 73.299 29.4961.00 0.00 ATOM 2110 CA ASN2 751 18.755 73.443 29.9891.00 0.00 ATOM 2111 C ASN2 751 18.910 73.690 31.4881.00 0.00 ATOM 2112 O ASN2 751 18.057 74.318 32.1181.00 0.00 ATOM 2113 CB ASN2 751 19.631 74.354 29.1031.00 0.00 ATOM 2114 CG ASN2 751 19.558 75.866 29.3161.00 0.00 ATOM 2115 OD1 ASN2 751 20.341 76.610 28.7281.00 0.00 ATOM 2116 ND2 ASN2 751 18.603 76.367 30.1161.00 0.00 ATOM 2117 H ASN2 751 16.944 73.882 28.8041.00 0.00 ATOM 2118 1HD2ASN2 751 18.447 77.351 30.2041.00 0.00 ATOM 2119 2HD2ASN2 751 18.055 75.782 30.7201.00 0.00 ATOM 2120 N LEU2 752 20.007 73.125 32.0321.00 0.00 ATOM 2121 CA LEU2 752 20.141 72.949 33.4841.00 0.00 ATOM 2122 C LEU2 752 21.527 72.452 33.8861.00 0.00 ATOM 2123 O LEU2 752 21.851 71.270 33.7291.00 0.00 ATOM 2124 CB LEU2 752 19.003 72.060 34.0551.00 0.00 ATOM 2125 CG LEU2 752 18.994 70.527 33.8571.00 0.00 ATOM 2126 CD1 LEU2 752 17.750 69.906 34.4681.00 0.00 ATOM 2127 CD2 LEU2 752 19.153 70.020 32.4281.00 0.00 ATOM 2128 H LEU2 752 20.716 72.756 31.4301.00 0.00 ATOM 2129 N THR2 753 22.342 73.422 34.3351.00 0.00 ATOM 2130 CA THR2 753 23.720 73.145 34.7421.00 0.00 ATOM 2131 C THR2 753 24.437 74.405 35.1971.00 0.00 ATOM 2132 O THR2 753 24.337 75.457 34.5621.00 0.00 ATOM 2133 CB THR2 753 24.496 72.422 33.6161.00 0.00 ATOM 2134 OG1 THR2 753 25.563 71.627 34.1481.00 0.00 ATOM 2135 CG2 THR2 753 24.958 73.296 32.4441.00 0.00 ATOM 2136 H THR2 753 21.937 74.302 34.5701.00 0.00 ATOM 2137 HG1 THR2 753 26.352 72.150 34.0121.00 0.00 ATOM 2138 N GLN2 754 25.168 74.265 36.3061.00 0.00 ATOM 2139 CA GLN2 754 26.176 75.272 36.6211.00 0.00 ATOM 2140 C GIN2 754 27.561 74.713 36.3651.00 0.00 ATOM 2141 O GLN2 754 28.151 74.021 37.2011.00 0.00 10g SUBSTITUTE SHEET (RULE 26) ATOM 2142 CB GIN 754 26.032 75.751 38.0701.00 0.00 ATOM 2143 CG GLN 754 26.937 76.912 38.4971.00 0.00 ATOM 2144 CD GIN 754 26.102 78.117.38.8921.00 0..00 ATOM 2145 OE1 GLN 754 26.027 79.114 38.1821.00 0.00 ATOM 2146 NE2 GLN 754 25.489 78.023 40.0711.00 0.00 ATOM 2147 H GLN 754 25.119 73.387 36.7721.00 0.00 _ 2 ATOM 2148 GLN 754 24.959 78.793 40.4281.00 0.00 1HE2' 2 ATOM 2149 GLN 754 25.626 77.181 40.5901.00 0.00 ATOM 2150 N ILE 755 28'.052 75.038 35.1621.00 0.00 ATOM 2151 CA ILE 755 29.424 74.754 34.7291.00 0.00 ATOM 2152 C ILE 755 29.804 73.288 34.5131.00 0.00 ATOM 2153 O ILE 755 30.156 72.905 33.4021.00 0.00 ATOM 2154 CB ILE 755 30.455 75.520 35.5871.00 0.00 ATOM 2155 CG1 ILE 755 30.103 77.013 35.5751.00 0.00 ATOM 2156 CG2 ILE 755 31.885 75.312 35.0651.00 0.00 ATOM 2157 CD1 ILE 755 31.004 77.872 36.4651.00 0.00 ATOM 2158 H ILE 755 27.460 75.630 34.6191.00 0.00 ATOM 2159 N GLY 756 29.744 72.477 35.5721.00 0.00 ATOM 2160 CA GLY 756 30.204 71.093 35.4371.00 0.00 ATOM 2161 C GLY 756 31.683 70.913 35.7391.00 0.00 ATOM 2162 O GLY 756 32.291 71.728 36.4391.00 0.00 ATOM 2163 H GLY 756 29.447 72.849 36.4431.00 0.00 ATOM 2164 N GLY 757 32.220 69.807 35.1591.00 0.00 ATOM 2165 CA GLY 757 33.666 69.523 35.1061.00 0.00 ATOM 2166 C GLY 757 33.988 68.113 34.5841.00 0.00 ATOM 2167 O GLY 757 33.185 67.193 34.7221.00 0.00 ATOM 2168 H GLY 757 31.592 69.124 34.7851.00 0.00 ATOM 2169 N LEU 758 35.181 67.942 33.9781.00 0.00 ATOM 2170 CA LEU 758 35.500 66.643 33.3391.00 0.00 ATOM 2171 C LEU 758 35.430 65.382 34.2151.00 0.00 ATOM 2172 O LEU 758 35.250 65.510 35.4351.00 0.00 ATOM 2173 CB LEU 758 36.821 66.747 32.5581.00 0.00 ATOM 2174 CG LEU 758 38.050 67.267 33.3211.00 0.00 ATOM 2175 CD1 LEU 758 38.634 66.265 34.3211.00 0.00 ATOM 2176 CD2 LEU 758 39.123 67.755 32.3461.00 0.00 ATOM 2177 H LEU 758 35.844 68.688 34.0331.00 0.00 ATOM 2178 N ILE 759 35.552 64.196 33.5381.00 0.00 ATOM 2179 CA ILE 759 35.527 62.876 34.2051.00 0.00 ATOM 2180 C ILE 759 35.851 61.614 33.3441.00 0.00 ATOM 2181 O ILE 759 36.066 61.666 32.1291.00 0.00 ATOM 2182 CB ILE 759 34.186 62.743 34.9601.00 0.00 ATOM 2183 CG1 ILE 759 34.303 62.167 36.3771.00 0.00 ATOM 2184 CG2 ILE 759 33.141 62.004 34.1111.00 0.00 ATOM 2185 CD1 ILE 759 35.244 62.926 37.3131.00 0.00 ATOM 2186 H ILE 759 35.566 64.242 32.5381.00 0.00 ATOM 2187 N ASP 760 35.866 60.447 34.0401.00 0.00 ATOM 2188 CA ASP 760 35.674 59.054 33.5731.00 0.00 ATOM 2189 C ASP 760 35.865 58.598 32.1391.00 0.00 ATOM 2190 O ASP 760 36.900 58.054 31.7581.00 0.00 ATOM 2191 CB ASP 760 34.320 58.464 33.9831.00 0.00 ATOM 2192 CG ASP 760 34.146 58.398 35.4681.00 0.00 ATOM 2193 ODl 760 33.427 59.239 35.9843.00 0.00 ASP

ATOM 2194 OD2 760 34.702 57.499 36.0891.00 0.00 ASP

ATOM 2195 H ASP 760 36.005 60.544 35.0241.00 0.00 ATOM 2196 N SER 761 34.781 58.712 31.3551.00 0.00 ATOM 2197 CA SER 761 34.8?0 57.991 30.0911.00 0.00 ATOM 2198 C SER 761 35.330 58.809 28.9091.00 0.00 ATOM 2199 O SER 761 36.448 58.642 28.4161.00 0.00 ATOM 2200 CB SER 761 33.607 57.165 29.7831.00 0.00 ATOM 2201 OG SER 761 33.504 56.001 30.6351.00 0.00 ATOM 2202 H SER 33.982 59.245 31.6321.00 0.00 ATOM 2203 HG SER 33.635 56.340 31.5201.00 0.00 ATOM 22D4 N LYS 34.414 59.675 28.4431.00 0.00 ATOM 2205 CA LYS 34.645 60.272 27.1331.00 0.00 ATOM 2206 C LYS 35.799 61.249 27.0351.00 0.00 ATOM 2207 O LYS 35.691 62.448 27.3141.00 0.00 ATOM 2208 CB LYS 33.347 60.851 26.5501.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2209 CG LYS2 762 32.198 59.832 26.4711.00 0.00 ATOM 2210 CD LYS2 762 31.309 59.814 27.7121.00 0.00 ATOM 2211 CE LYS2 762 30.602 58.487 27.9941.00 0.00 ATOM 2212 NZ LYS2 762 29.792 58.618 29.2091.00 0.00 ATOM 2213 H LYS2 762 33.637 59.943 29.0101.00 0.00 ATOM 2214 1HZ LYS2 762 29.323 57.725 29.4461.00 0.00 ATOM 2215 2HZ~-LYS2 762 30.361 58.902 30.0351.00 0.00 ATOM 2216 3HZ LYS2 762 29.062 59.335 29.0501.00 0.00 ATOM 2217 N GLY2 763 36.894 60.668 26.5541.00 0.00 ATOM 2218 CA GLY2 763 38.052 61.440 26.1601.00 0.00 ATOM 2219 C GLY2 763 38.838 60.554 25.2331.00 0.00 ATOM 2220 O GLY2 763 39.038 60.839 24.0511.00 0.00 ATOM 2221 H GLY2 763 36.875 59.667 26.5261.00 0.00 ATOM 2222 N TYR2 764 39.241 59.457 25.8651.00 0.00 ATOM 2223 CA TYR2 764 39.661 58.316 25.0881.00 0.00 ATOM 2224 C TYR2 764 38.429 57.738 24.3971.00 0.00 ATOM 2225 O TYR2 764 37.342 57.636 24.9721.00 0.00 ATOM 2226 CB TYR2 764 40.345 57.331 26.0541.00 0.00 ATOM 222? CG TYR2 764 41.509 57.930 26.8541.00 0.00 ATOM 2228 CD1 TYR2 764 42.163 59.116 26.4501.00 0.00 ATOM 2229 CD2 TYR2 764 41.943 57.243 28.0061.00 0.00 ATOM 2230 CE1 TYR2 764 43.290 59.579 27.1511.00 0.00 ATOM 2231 CE2 TYR2 764 43.060 57.712 28.7251.00 0.00 ATOM 2232 CZ TYR2 764 43.746 58.855 28.2671.00 0.00 ATOM 2233 OH TYR2 764 44.911 59.259 28.9031.00 0.00 ATOM 2234 H TYR2 764 38.917 59.300 26.7931.00 0.00 ATOM 2235 HH TYR2 764 44.815 59.126 29.8471.00 0.00 ATOM 2236 N GLY2 765 38.637 57.394 23.1171.00 0.00 ATOM 2237 CA GLY2 765 37.504 56.837 22.3781.00 0.00 ATOM 2238 C GLY2 765 37.849 55.723 21.4151.00 0.00 ATOM 2239 O GLY2 765 37.104 54.780 21.1641.00 0.00 ATOM 2240 H GLY2 765 39.422 57.835 22.6831.00 0.00 ATOM 2241 N VAL2 766 39.041 55.863 20.8241.00 0.00 ATOM 2242 CA VAL2.766 39.434 54.760 19.9571.00 0.00 ATOM 2243 C VAL2 766 40.371 53.807 20.6781.00 0.00 ATOM 2244 O VAL2 766 41.218 54.266 21.4451.00 0.00 ATOM 2245 CB VAL2 766 39.991 55.287 18.6231.00 0.00 ATOM 2246 CG1 VAL2 766 39.949 54.221 17.5291.00 0.00 ATOM 2247 CG2 VAL2 766 39.241 56.530 18.1381.00 0.00 ATOM 2248 H VAL2 766 39.675 56.581 21.1011.00 0.00 ATOM 2249 N GLY2 767 40.156 52.495 20.4161.00 0.00 ATOM 2250 CA GLY2 767 40.852 51.410 21.1301.00 0.00 ATOM 2251 C GLY2 767 41.793 50.539 20.3151.00 0.00 ATOM 2252 O GLY2 767 41.775 50.586 19.0811.00 0.00 ATOM 2253 H GLY2 767 39.442 52.282 19.7481.00 0.00 ATOM 2254 N THR2 768 42.640 49.785 21.0691.00 0.00 ATOM 2255 CA THR2 768 43.720 48.849 20.6641.00 0.00 ATOM 2256 C THR2 768 44.875 48.722 21.6661.00 0.00 ATOM 2257 O THR2 768 45.870 49.461 21.5951.00 0.00 ATOM 2258 CB THR2 768 44.307 49.089 19.2501.00 0.00 ATOM 2259 OG1 THR2 768 45.303 48.100 18.8961.00 0.00 ATOM 2260 CG2 THR2 768 44.863 50.501 19.0591.00 0.00 ATOM 2261 H THR2 768 42.259 49.731 21.9921.00 0.00 ATOM 2262 HG1 THR2 768 45.984 48.120 19.5751.00 0.00 ATOM 2263 N PRO2 769 44.724 47.716 22.5741.00 0.00 ATOM 2264 CA PRO2 769 45.762 47.470 23.5891.00 0.00 ATOM 2265 C PRO2 769 47.148 47.372 22.9831.00 0.00 ATOM 2266 O PRO2 769 47.287 46.972 21.8281.00 0.00 ATOM 2267 CB PRO2 769 45.305 46.164 24.2421.00 0.00 ATOM 2268 CG PRO2 769 43.793 46.138 24.0441.00 0.00 ATOM 2269 CD PRO2 769 43.614 46.771 22.6701.00 0.00 ATOM 2270 N MET2 770 48.161 47.804 23.7691.00 0.00 ATOM 2271 CA MET2 770 49.582 47.836 23.3631.00 0.00 ATOM 2272 C MET2 770 49.928 47.469 21.9141.00 0.00 ATOM 2273 O MET2 770 50.042 48.361 21.0691.00 0.00 ATOM 2274 CB MET2 770 50.448 47.099 24.3901.00 0.00 ATOM 2275 CG MET2 770 50.262 47.654 25.8051.00 0.00 11~
SUBSTITUTE SHEET {RULE 26) ATOM 2276 SD MET 770 51.304 46.835 27.0231.00 0.00 ATOM 2277 CE MET 770 52.892 47.489 26.4851.00 0.00 ATOM 2278 H MET 770 47.873 48.164 24.6571.00 0,00 ATOM 2279 N GLY 771 50.006 46.151 21.6461.00 0.00 ATOM 2280 CA GLY 771 49.730 45.592 20.3131.00 0.00 ATOM 2281 C GLY 771 50.529 45.997 19.0771.00 0.00 ATOM 2282 _ GLY 771 51.738 45.775 18.9831.00 0.00 -ATOM 2283 H GLY 771 49.961 45.566 22.4531.00 0.00 ATOM 2284 N SER 772 49.736 46.517 18.1221.00 D.00 ATOM 2285 CA SER 772 50.110 46.471 16.7061.00 0.00 ATOM 2286 C SER 772 50.052 47.861 16.0371.00 0.00 ATOM 2287 O SER 772 49.698 48.841 16.6921.00 0.00 ATOM 2288 CB SER 772 49.158 45.452 16.0551.00 0.00 ATOM 2289 OG SER 772 48.940 44.292 16.8811.00 0.00 ATOM 2290 H SER 772 48.806 46.813 18.3421.00 0.00 ATOM 2291 HG SER 772 48.031 44.368 17.1881.00 0.00 ATOM 2292 N PRO 773 50.425 47.983 14.7201.00 0.00 ATOM 2293 CA PRO 773 50.177 49.261 14.0181.00 0.00 ATOM 2294 C PRO 773 48.694 49.567 13.8071.00 0.00 ATOM 2295 O PRO 773 47.992 48.991 12.9651.00 0.00 ATOM 2296 CB PRO 773 50.963 49.091 12.7131.00 0.00 ATOM 2297 CG PRO 773 51.007 47.586 12.4651.00 0.00 ATOM 2298 CD PRO 773 51.137 47.024 13.8741.00 0.00 ATOM 2299 N TYR 774 48.242 50.469 14.6811.00 0.00 ATOM 2300 CA TYR 774 46.850 50.529 15.1071.00 0.00 ATOM 2301 C TYR 774 46.548 51.845 15.7961.00 0.00 ATOM 2302 O TYR 774 45.652 52.588 15.3961.00 0.00 ATOM 2303 CB TYR 774 46.568 49.426 16.1281.00 0.00 ATOM 2304 CG TYR 774 45.794 48.245 15.6011.00 0.00 ATOM 2305 CD1TYR 774 46.507 47.152 15.0851.00 0.00 ATOM 2306 CD2TYR 774 44.389 48.240 15.6941.00 0.00 ATOM 2307 CE1TYR 774 45.806 45.999 14.7121.00 0.00 ATOM 2308 CE2TYR 774 43.679 47.094 15.3081.00 0.00 ATOM 2309 CZ TYR 774 44.404 45.989 14.8241.00 0.00 ATOM 2310 OH TYR 774 43.731 44.854 14.4161.00 0.00 ATOM 2311 H TYR 774 48.939 51.149 14.9461.00 0.00 ATOM 2312 HH TYR 774 42.894 44.804 14.8851.00 0.00 ATOM 2313 N ARG 775 47.291 52.022 16.9041.00 0.00 ATOM 2314 CA ARG 775 47.038 53.181 17.7631.00 0.00 ATOM 2315 C ARG 775 47.656 54.447 17.2301.00 0.00 ATOM 2316 O ARG 775 47.194 55.563 17.4241.00 0.00 ATOM 2317 CB ARG 775 47.499 52.901 19.1881.00 0.00 ATOM 2318 CG ARG 775 46.957 53.868 20.2491.00 0.00 ATOM 2319 CD ARG 775 47.185 53.387 21.6871.00 0.00 ATOM 2320 NE ARG 775 48.606 53.258 21.9951.00 0.00 ATOM 2321 CZ ARG 775 49.263 52.099 21.8101.00 0.00 ATOM 2322 NH1 775 50.585 52.115 21.7431.00 0.00 ARG

ATOM 2323 NH2 775 48.592 50.952 21.6711.00 0.00 ARG

ATOM 2324 H ARG 775 48.089 51.428 17.0121.00 0.00 ATOM 2325 HE ARG 775 49.115 54.068 22.2791.00 0.00 ATOM 2326 1HH1 775 51.117 51.297 21.5541.00 0.00 ARG

ATOM 2327 2HH1 775 51.072 52.976 21.8621.00 0.00 ARG

ATOM 2328 1HH2 775 49.040 50.086 21.4431.00 0.00 ARG

ATOM 2329 2HH2 775 47.596 50.936 21.8061.00 0.00 ARG

ATOM 2330 N ASP 48.716 54.201 16.4631.00 0.00 ATOM 2331 CA ASP 49.197 55.146 15.4591.00 0.00 ATOM 2332 C ASP 48.121 55.524 14.4611.00 0.00 ATOM 2333 O ASP 47.797 56.702 14.3261.00 0.00 ATOM 2334 CB ASP 50.457 54.614 14.7591.00 0.00 2335 CG ASP 50.346 53.116 14.5581.00 0.00 ATOM 2336 OD1 49.859 52.675 13.5271.00 0.00 ASP

ATOM 2337 OD2 50.708 52.382 15.4691.00 0.00 ASP

ATOM H ASP 49.124 53.292 16.4891.00 0.00 ATOM 2338 LYS 47.536 54.499 13.8181.00 0.00 ATOM 2339 N YS 425 54.828 12.9301.00 0.00 ATOM 2340 CA L . 709 13.5751.00 0.00 ATOM 2341 C LYS . . 12.9521.00 0.00 ATOM 2342 O LYS 2 777 . .

SUBSTITUTE SHEET (RULE 26) ATOM 2343 CB LYS2 777 45.859 53.559 12.272 1.000.00 ATOM 2344 CG LYS2 777 45.016 53.785 11.006 1.000.00 ATOM 2345 CD LYS2 777 43.567 54.20.311.263 1.000.00 ATOM 2346 CE LYS2 777 43.166 55.534 10.624 1.000.00 ATOM 2347 NZ LYS2 777 41.952 56:009 -11.2931.000.00 ATOM 2348 H LYS2 777 47.931 53.587 13.906 1.000.00 ATOM 2349 1HZ-LYS2 777 42.104 56.119 12.313 1.000.00 ATOM 2350 2HZ LYS2 777 41.667 56.933 10.937 1.000.00 ATOM 2351 3HZ LYS2 777 41.169 55.352 11.110 1.000.00 ATOM 2352 N ILE2 778 45.087 55.418 14.863 1.000.00 ATOM 2353 CA ILE2 778 44.251 56.358 15.615 1.000.00 ATOM 2354 C ILE2 778 44.796 57.773 15.549 1.000.00 ATOM 2355 O ILE2 778 44.225 58.656 14.917 1.000.00 ATOM 2356 CB ILE2 778 44.093 55.964 17.090 1.000.00 ATOM 2357 CG1 ILE2 778 43.670 54.516 17.296 1.000.00 ATOM 2358 CG2 ILE2 778 43.097 56.914 17.749 1.000.00 ATOM 2359 CD1 ILE2 778 43.552 54.135 18.774 1.000.00 ATOM 2360 H ILE2 778 45.702 54.763 15.299 1.000.00 ATOM 2361 N THR2 779 45.961 57.953 16.189 1.000.00 ATOM 2362 CA THR2 779 46.530 59.301 16.289 1.000.00 ATOM 2363 C THR2 779 46.520 60.133 15.013 1.000.00 ATOM 2364 O THR2 779 45.926 61.210 14.971 1.000.00 ATOM 2365 CB THR2 779 47.916 59.233 16.930 1.000.00 ATOM 2366 OG1 THR2 779 48.513 57.938 16.690 1.000.00 ATOM 2367 CG2 THR2 779 47.820 59.484 18.435 1.000.00 ATOM 2368 H THR2 779 46.427 57.212 16.673 1.000.00 ATOM 2369 HG1 THR2 779 48.747 57.936 15.762 1.000.00 ATOM 2370 N ILE2 780 47.116 59.538 13.944 1.000.00 ATOM 2371 CA ILE2 780 47.086 60.192 12.629 1.000.00 ATOM 2372 C ILE2 780 45.722 60.713 12.216 1.000.00 ATOM 2373 O ILE2 780 45.545 61.907 12.077 1.000.00 ATOM 2374 CB ILE2 780 47.775 59.379 11.497 1.000.00 ATOM 2375 CG1 ILE2 780 47.603 60.058 10.126 1.000.00 ATOM 2376 CG2 ILE2 780 47.296 57.930 11.412 1.000.00 ATOM 2377 CDi ILE2 780 48.092 59.249 8.922 1.000.00 ATOM 2378 H ILE2 780 47.582 58.657 14.057 1.000.00 ATOM 2379 N ALA2 781 44.753 59.803 12.065 1.000.00 ATOM 2380 CA ALA2 781 43.467 60.292 11.580 1.000.00 ATOM 2381 C ALA2 781 42.553 60.877 12.625 1.000.00 ATOM 2382 O ALA2 781 41.401 61.217 12.343 1.000.00 ATOM 2383 CB ALA2 781 42.689 59.167 10.935 1.000.00 ATOM 2384 H ALA2 781 44.893 58.850 12.322 1.000.00 ATOM 2385 N ILE2 782 43.069 60.882 13.863 1.000.00 ATOM 2386 CA ILE2 782 42.253 61.529 14.871 1.000.00 ATOM 2387 C ILE2 782 42.492 63.026 14.885 1.000.00 ATOM 2388 O ILE2 782 41.550 63.792 15.099 1.000.00 ATOM 2389 C8 ILE2 782 42.355 60.839 16.252 1.000.00 ATOM 2390 CG1 ILE2 782 41.070 61.008 17.061 1.000.00 ATOM 2391 CG2 ILE2 782 43.554 61.297 17.090 1.000.00 ATOM 2392 CD1 ILE2 782 39.895 60.229 16.472 1.000.00 ATOM 2393 H ILE2 782 44.032 60.692 14.039 1.000.00 ATOM 2394 N LEU2 783 43.765 63.376 14.563 1.000.00 ATOM 2395 CA LEU2 783 44.114 64.755 14.229 1.000.00 ATOM 2396 C LEU2 783 43.801 65.132 12.790 1.000.00 ATOM 2397 O LEU2 783 43.255 66.201 12.544 1.000.00 ATOM 2398 CB LEU2 783 45.567 65.103 14.563 1.000.00 ATOM 2399 CG LEU2 783 45.755 66.628 14.618 1.000.00 ATOM 2400 CD1 LEU2 783 45.756 67.163 16.049 1.000.00 ATOM 2401 CD2 LEU2 783 46.959 67.115 13.816 1.000.00 ATOM 2402 H LEU2 783 44.450 62.656 14.433 1.000.00 ATOM 2403 N GLN2 784 44.050 64.193 11.861 1.000.00 ATOM 2404 CA GLN2 784 43.603 64.359 10.458 1.000.00 ATOM 2405 C GLN2 784 42.091 64.412 10.251 1.000.00 ATOM 2406 O GLN2 784 41.522 64.344 9.159 1.000.00 ATOM 2407 CB GLN2 784 44.148 63.273 9.523 1.000.00 ATOM 2408 CG GLN2 784 45.650 63.288 9.225 1.000.00 ATOM 2409 CD GLN2 784 46.021 64.403 8.271 1.000.00 SUBSTITUTE SHEET (RULE 26) ATOM 2410 OEl GLN 2 784 46.129 64.241 7.056 1.00 0.00 ATOM 2411 NE2 GLN 2 784 46.298 65.557 8.876 1.00 0.00 ATOM 2412 H GLN 2 784 44.507 63.374 12.192 1.00 0.00 ATOM 2413 1HE2 GLN 2 784 46.522 66.376 8.347 1.00 0.00 ATOM 2414 2HE2 GLN 2 784 46.364 65-.658 - 9.874 1.00 0.00 ATOM 2415 N LEU 2 785 41.376 64.516 11.377 1.00 0.00 ATOM 2416 CA' LEU 2 785 40.000 64.943 11.237 1.00 0.00 ATOM 2417 C LEU 2 785 39.813 66.450 11.120 1.00 0.00 ATOM 2418 O LEU 2 785 38.796 66.928 11.597 1.00 0.00 ATOM 2419 CB LEU 2 785 39.164 64.465 12.429 1.00 0.00 ATOM 2420 CG LEU 2 785 38.961 62.964 12.591 1.00 0.00 ATOM 2421 CD1 LEU 2 785 38.399 62.649 13.974 1.00 0.00 ATOM 2422 CD2 LEU 2 785 38.111 62.348 11.479 1.00 0.00 ATOM 2423 H LEU 2 785 41.845 64.509 12.254 1.00 0.00 ATOM 2424 N GLN 2 786 40.756 67.213 10.552 1.00 0.00 ATOM 2425 CA GLN 2 786 40.552 68.656 10.758 1.00 0.00 ATOM 2426 C GIN 2 786 40.672 69.628 9.577 1.00 0.00 ATOM 2427 O GLN 2 786 40.298 70.794 9.686 1.00 0.00 ATOM 2428 CB GLN 2 786 41.406 69.169 11.932 1.00 0.00 ATOM 2429 CG GLN 2 786 40.735 69.162 13.320 1.00 0.00 ATOM 2430 CD GLN 2 786 40.879 67.834 14.051 1.00 0.00 ATOM 2431 OE1 GLN 2 786 39.943 67.063 14.234 1.00 0.00 ATOM 2432 NE2 GLN 2 786 42.100 67.621 14.539 1.00 0.00 ATOM 2433 H GLN 2 786 41.610 66.844 10.164 1.00 0.00 ATOM 2434 1HE2 GLN 2 786 42.255 66.799 15.086 1.00 0.00 ATOM 2435 2HE2 GLN 2 786 42.914 68.175 14.341 1.00 0.00 ATOM 2436 N GLU 2 787 41.222 69.124 8.469 1.00 0.00 ATOM 2437 CA GLU 2 787 41.816 69.935 7.390 1.00 0.00 ATOM 2438 C GLU 2 787 40.847 70.808 6.604 1.00 0.00 ATOM 2439 O GLU 2 787 41.167 71.854 6.038 1.00 0.00 ATOM 2440 CB GLU 2 787 42.584 69.038 6.398 1.00 0.00 ATOM 2441 CG GLU 2 787 43.691 68.126 6.963 1.00 0.00 ATOM 2442 CD GLU 2 787 43.097 67.124 7.932 1.00 0.00 ATOM 2443 OE1 GLU 2 787 42.321 66.270 7.517 1.00 0.00 ATOM 2444 OE2 GLU 2 787 43.329 67.258 9.128 1.00 0.00 ATOM 2445 H GLU 2 787 41.340 68.134 8.448 1.00 0.00 ATOM 2446 N GLU 2 788 39.623 70.301 6.606 1.00 0.00 ATOM 2447 CA GLU 2 788 38.468 71.020 6.082 1.00 0.00 ATOM 2448 C GLU 2 788 37.609 71.461 7.244 1.00 0.00 ATOM 2449 O GLU 2 788 37.061 72.563 7.324 1.00 0.00 ATOM 2450 CB GLU 2 788 37.627 70.130 5.158 1.00 0.00 ATOM 2451 CG GLU 2 788 38.260 68.794 4.736 1.00 0.00 ATOM 2452 CD GLU 2 788 38.125 67.690 5.782 1.00 0.00 ATOM 2453 OEl GLU 2 788 38.162 67.922 6.995 1.00 0.00 ATOM 2454 OE2 GLU 2 788 37.997 66.544 5.379 1.00 0.00 ATOM 2455 H GLU 2 788 39.519 69.402 7.027 1.00 0.00 ATOM 2456 N GLY 2 789 37.537 70.512 8.177 1.00 0.00 ATOM 2457 CA GLY 2 789 36.921 70.804 9.454 1.00 0.00 ATOM 2458 C GLY 2 789 36.382 69.594 10.176 1.00 0.00 ATOM 2459 O GLY 2 789 35.798 69.768 11.244 1.00 0.00 ATOM 2460 H GLY 2 789 38.038 69.667 7.993 1.00 0.00 ATOM 2461 N LYS 2 790 36.568 68.382 9.573 1.00 0.00 ATOM 2462 CA LYS 2 790 35.844 67.171 10.019 1.00 0.00 ATOM 2463 C LYS 2 790 35.294 67.174 11.433 1.00 0.00 ATOM 2464 O LYS 2 790 34.093 67.289 11.613 1.00 0.00 ATOM 2465 CB LYS 2 790 36.596 65.846 9.809 1.00 0.00 ATOM 2466 CG LYS 2 790 37.030 65.477 8.393 1.00 0.00 ATOM 2467 CD LYS 2 790 38.086 64.363 8.376 1.00 0.00 ATOM 2468 CE LYS 2 790 39.086 64.420 7.211 1.00 0.00 ATOM 2469 NZ LYS 2 790 39.807 65.706 7.212 1.00 0.00 ATOM 2470 H LYS 2 790 37.072 68.369 8.708 1.00 0.00 ATOM 2471 1HZ LYS 2 790 40.159 65.975 .6.275 1.00 0.00 ATOM 2472 2HZ LYS 2 790 39.149 66.475 7.444 1.00 0.00 ATOM 2473 3HZ LYS 2 790 40.636 65.721 7.846 1.00 0.00 ATOM 2474 N LEU 2 791 36.161 67.105 12.453 1.00 0.00 ATOM 2475 CA LEU 2 791 35.671 67.050 13.835 1.00 0.00 ATOM 2476 C LEU 2 791 34.755 68.197 14.242 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2477 O LEU 2791 33.705 68.01314.847 1.00 0.00 ATOM 2478 CB LEU 2791 36.845 66.92914.805 1.00 0.00 ATOM 2479 CG LEU 2791 36.466 66.44516.207 1.00 0.00 ATOM 2480 CD1LEU 2791 35.975 64.99616.1.991.00 0.00 ATOM 2481 CD2LEU 2791 37.608 66-.6-5117.200 1.00 0.00 -ATOM 2482 H LEU 2791 37.138 67.22112.280 1.00 0.00 ATOM 2483 _ HIS 2792 35.156 69.41013.822 1.00 0.00 N
-ATOM 2484 CA HIS 2792 34.229 70.55013.929 1.OD 0.00 ATOM 2485 C HIS 2792 32.918 70.37413.151 1.00 0.00 ATOM 2486 O HIS 2792 31.808 70.46413.673 1.00 0.00 ATOM 2487 CB HIS 2792 34.970 71.84813.556 1.00 0.00 ATOM 2488 CG HIS 2792 34.070 73.06813.553 1.00 0.00 ATOM 2489 ND1HIS 2792 33.786 73.80914.643 1.00 0.00 ATOM 2490 CD2HIS 2792 33.418 73.62812.450 1.00 0.00 ATOM 2491 CE1HIS 2792 32.963 74.82714.238 1.00 0.00 ATOM 2492 NE2HIS 2792 32.737 74.71612.890 1.00 0.00 ATOM 2493 H HIS 2792 36.007 69.41013.285 1.00 0.00 ATOM 2494 HD1HIS 2792 34.108 73.63615.552 1.00 0.00 ATOM 2495 N MET 2793 33.094 70.08711.855 1.00 0.00 ATOM 2496 CA MET 2793 31.963 69.84410.955 1.00 0.00 ATOM 2497 C MET 2793 31.013 68.76111.459 1.00 0.00 ATOM 2498 O MET 2793 29.820 68.70811.166 1.00 0.00 ATOM 2499 CB MET 2793 32.516 69.5299.558 1.00 0.00 ATOM 2500 CG MET 2793 31.463 69.3398.464 1.00 0.00 ATOM 2501 SD MET 2793 32.181 68.9826.853 1.00 0.00 ATOM 2502 CE MET 2793 30.672 68.4566.030 1.00 0.00 ATOM 2503 H MET 2793 34.020 69.97211.514 1.00 0.00 ATOM 2504 N MET 2794 31.590 67.90212.309 1.00 0.00 ATOM 2505 CA MET 2794 30.853 66.77712.852 1.00 0.00 ATOM 2506 C MET 2794 30.384 66.94114.278 1.00 0.00 ATOM 2507 O MET 2794 29.433 66.27414.681 1.00 0.00 ATOM 2508 CB MET 2794 31.661 65.49112.691 1.00 0.00 ATOM 2509 CG MET 2794 31.744 65.09211.218 1.00 0.00 ATOM 2510 SD MET 2794 32.743 63.62910.925 1.00 0.00 ATOM 2511 CE MET 2794 32.266 63.3929.209 1.00 0.00 ATOM 2512 H MET 2794 32.560 68.01022.530 1.00 0.00 ATOM 2513 N LYS 2795 31.061 67.83415.018 1.00 0.00 ATOM 2514 CA LYS 2795 30.605 67.99916.393 1.00 0.00 ATOM 2515 C LYS 2795 29.262 68.66916.519 1.00 0.00 ATOM 2516 O LYS 2795 28.474 68.29717.381 1.00 0.00 ATOM 2517 CB LYS 2795 31.635 68.61217.371 1.00 0.00 ATOM 2518 CG LYS 2795 32.473 69.84416.987 1.00 0.00 ATOM 2519 CD LYS 2795 31.725 71.12816.624 1.00 0.00 ATOM 2520 CE LYS 2795 31.015 71.77617.793 1.00 0.00 ATOM 2521 NZ LYS 2795 30.022 72.74317.317 1.00 0.00 ATOM 2522 H LYS 2795 31.817 68.34614.609 1.00 0.00 ATOM 2523 1HZLYS 2795 29.950 73.54817.959 1.00 0.00 ATOM 2524 2HZLYS 2795 30.147 73.13316.361 1.00 0.00 ATOM 2525 3HZLYS 2795 29.057 72.35817.301 1.00 0.00 ATOM 2526 N GLU 2796 28.997 69.65415.636 1.00 0.00 ATOM 2527 CA GLU 2796 27.815 70.50715.868 1.00 0.00 ATOM 2528 C GLU 2796 26.481 69.78416.118 1.00 0.00 ATOM 2529 O GLU 2796 25.581 70.24416.813 1.00 0.00 ATOM 2530 CB GLU 2796 27.720 71.57714.763 1.00 0.00 ATOM 2531 CG GLU 2796 27.008 72.90415.111 1.00 0.00 ATOM 2532 CD GLU 2796 27.807 73.75416.09? 1.00 0.00 ATOM 2533 OE1GLU 2796 27.506 73.74417.283 1.00 0.00 ATOM 2534 OE2GLU 2796 28.767 74.41915.717 1.00 0.00 ATOM 2535 H GLU 2796 29.681 69.90314.944 1.00 0.00 ATOM 2536 N LYS 2797 26.395 68.57815.533 1.00 0.00 ATOM 2537 CA LYS 2797 25.202 67.76115.781 1.00 0.00 ATOM 2538 C LYS 2797 24.942 67.31817.224 1.00 0.00 ATOM 2539 O LYS 2797 23.803 67.24417.675 1.00 0.00 ATOM 2540 CB LYS 2797 25.098 66.59114.783 1.00 0.00 ATOM 2541 CG LYS 2797 26.405 66.21314.073 1.00 0.00 ATOM 2542 CD LYS 2797 26.262 65.17012.964 1.00 0.00 ATOM 2543 CE LYS 2797 27.556 64.94812.169 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2544 NZ LYS 797 28.587 64.27112.964 1.000.00 ATOM 2545 H LYS 797 27.191 68.30414.990 1.000.00 ATOM 2546 HZ LYS 797 28.985 64.84213.734 1.000:00 ATOM 2547 HZ LYS 797 28.259 63.34913.310 1.000.00 ATOM 2548 HZ LYS 797 29.360 63.96512.342 1.000.00 2549 N TRP 798 26.037 67.03317.942 1.000.00 ATOM CA TRP 798 25.860 66.71119.358 1.000.00 ATOM 2550 TRP 798 268 67.81820.314 1.000.00 ATOM 2551 C TRP 798 . 68.14721.283 1.000.00 2 25.589 ATOM 2552 O 2 798 596 419 19.699 1.000.00 ATOM 2553 CB TRP 798 . . 19.306 1.000.00 ATOM 2554 CG TRP . . 20.132 1.000.00 ATOM 2555 CD1 TRP 798 . . 037 2.000.00 ATOM 2556 CD2 TRP 798 25.70 . .

ATOM 2557 NEl TRP 798 24.253 62.53019.467 1.000.00 ATOM 2558 CE2 TRP 798 24.753 62.48318.172 1.000.00 ATOM 2559 CE3 TRP 798 26.380 63.73116.812 1.000.00 ATOM 2560 CZ2 TRP 798 24.489 61.62917.080 1.000.00 ATOM 2561 CZ3 TRP 798 26.109 62.87015.727 1.000.00 ATOM 2562 CH2 TRP 798 25.168 61.82715,859 1.000.00 ATOM 2563 H TRP 798 26.920 67.13617.484 1.000.00 ATOM 2564 HEl TRP 798 23.580 61.90419.807 1.000.00 ATOM 2565 N TRP 799 27.450 68.36420.016 1.000.00 ATOM 2566 CA TRP 799 27.962 69.39920.902 1.000.00 ATOM 2567 C TRP 799 28.138 70.72620.203 1.000.00 ATOM 2568 O TRP 799 28.333 70.84718.990 1.000.00 ATOM 2569 CB TRP 799 29.227 68.92021.629 1.000.00 ATOM 2570 CG TRP 799 28.887 67.60522.294 1.000.00 ATOM 2571 CDl TRP 799 27.999 67.40623.364 1.000.00 ATOM 2572 CD2 TRP 799 29.311 66.28421.903 1.000.00 ATOM 2573 NEl TRP 799 27.844 66.08423.638 1.000.00 ATOM 2574 CE2 TRP 799 28.634 65.35022.758 1.000.00 ATOM 2575 CE3 TRP 799 30.183 65.81320.897 1.000.00 ATOM 2576 CZ2 TRP 799 28.839 63.96422.586 1.000.00 ATOM 2577 CZ3 TRP 799 30.380 64.42520.738 1.000.00 ATOM 2578 CH2 TRP 799 29.711 63.50621.575 1.000.00 2579 H TRP 799 28.012 68.12919.226 1.000.00 ATOM HEl TRP 799 27.252 65.70824.328 1.000.00 ATOM 2580 ARG 800 983 71.75821.041 1.000.00 ATOM 2581 N G 800 . 73.07720.418 1.000.00 ATOM 2582 CA AR . 821 20.605 1.000.00 ATOM 2583 C ARG . . 19.695 1.000.00 ATOM 2584 O ARG . . 20.818 1.000.00 ATOM 2585 CB ARG 800 . . 208 1.000.00 ATOM 2586 CG ARG 8 . . 00 00 2 25.3 1 0 ATOM 2587 CD ARG 24.826 72.00920.952 . .

2588 NE ARG 24.402 70.94020.043 1.000.00 ATOM 2589 CZ ARG 23.595 69.95520.501 1.000.00 ATOM NHl 23.298 68.89819.758 1.000.00 ARG

ATOM 2590 2 089 70.02321.724 1.000.00 ATOM 2591 NH2 ARG . 561 22.018 1.000.00 ATOM 2592 H ARG . . 19.141 1.000.00 ATOM 2593 HE ARG 2 . . 164 1.000.00 ATOM 2594 1HH1 22.721 . .
ARG

ATOM 2595 2HH1 23.648 68.75318.823 1.000.00 ARG

ATOM 2596 1HH2 2 22.608 69.20222.076 1.000.00 ATOM 2597 2HH2 2 23.208 70.82022.316 1.000.00 2598 N GLY 2 29.444 74.28221.841 1.000.00 ATOM CA GLY 2 30.839 74.48522.196 1.000.00 BOl ATOM 2599 GLY 2 488 73.16022.555 1.000.00 ATOM 2600 C GLY 2 . 72.19122.886 1.000.00 ATOM 2601 O 2 . 74.33722.533 1.000.00 ATOM 2602 H GLY . 236 22.480 1.000.00 ATOM 2603 N ASN 2 . . 22.829 1.000.00 ATOM 2604 CA ASN 2 . . 21.979 1.000.00 ATOM 2605 C ASN 2 . . 21.068 1.000.00 ATOM 2606 O ASN 2 . . 22.641 1.000.00 ATOM 2607 CB ASN 2 . . 964 00 0.00 ATOM 2608 CG ASN 2 33.081 70.291. .

ATOM 2609 ODl 2 32.383 70.98624.703 1.000.00 ATOM 2610 ND2 2 33.432 69.03524.255 1.000.00 SUBSTITUTE SHEET (RULE 26) ATOM 2611 H ASN2 802 33.169 74.086 22.080 1.000.00 ATOM 2612 1HD2ASN2 802 33.161 68.527 25.077 1.000.00 ATOM 2613 2HD2ASN2 802 34.043 68.578.23.599 1.000.00 ATOM 2614 N GLY2 803 36.284 72.207 22.328 1.000.00 ATOM 2615 CA GLY2 803 37.472 72.692 21.628 1.000.00 ATOM 2616 C GLY2 803 38.747 72.358 22.378 1.000.00 ATOM 2617 O -GLY2 803 38.697 71.790 23.466 1.000.00 ~

ATOM 2618 H GLY2 803 36.399 71.564 23.088 1.000.00 ATOM 2619 N CYS2 804 39.877 72.742 21.739 1.000.00 ATOM 2620 CA CYS2 804 41.249 72.312 22.084 1.000.00 ATOM 2621 C CYS2 804 41.587 70.928 21.559 1.000.00 ATOM 2622 O CYS2 804 40.813 69.989 21.737 1.000.00 ATOM 2623 CB CYS2 804 41.590 72.434 23.578 1.000.00 ATOM 2624 SG CYS2 804 41.297 74.130 24.158 1.000.00 ATOM 2625 H CYS2 804 39.725 73.297 20.925 1.000.00 ATOM 2626 N PRO2 805 42.720 70.872 20.809 1.000.00 ATOM 2627 CA PRO2 805 43.220 69.590 20.300 1.000.00 ATOM 2628 C PRO2 805 44.015 68.881 21.380 1.000.00 ATOM 2629 O PRO2 805 44.130 69.386 22.495 1.000.00 ATOM 2630 CB PRO2 805 44.083 70.042 19.120 1.000.00 ATOM 2631 CG PRO2 805 44.691 71.364 19.586 1.000.00 ATOM 2632 CD PRO2 805 43.556 71.994 20.387 1.000.00 ATOM 2633 N GLU2 806 44.529 67.702 21.000 1.000.00 ATOM 2634 CA GLU2 806 45.201 66.847 21.970 1.000.00 ATOM 2635 C GLU2 806 46.364 66.104 21.331 1.000.00 ATOM 2636 O GLU2 806 46.215 65.049 20.721 1.000.00 ATOM 2637 CB GLU2 806 44.174 65.894 22.594 1.000.00 ATOM 2638 CG GLU2 806 43.462 66.433 23.845 1.000.00 ATOM 2639 CD GLU2 806 44.328 66.249 25.080 1.000.00 ATOM 2640 OE1 GLU2 806 45.423 66.805 25.141 1.000.00 ATOM 2641 OE2 GLU2 806 43.930 65.512 25.984 1.000.00 ATOM 2642 H GLU2 806 44.314 67.338 20.096 1.000.00 ATOM 2643 N GLU2 807 47.540 66.746 21.485 1.000.00 ATOM 2644 CA GLU2 807 48.866 66.269 21.050 1.000.00 ATOM 2645 C GLU2 807 49.363 66.461 19.602 1.000.00 ATOM 2646 O GLU2 807 49.761 67.555 19.193 1.000.00 ATOM 2647 CB GLU2 807 49.172 64.858 21.594 1.000.00 ATOM 2648 CG GLU2 807 50.159 64.857 22.764 1.000.00 ATOM 2649 CD GLU2 807 49.491 64.286 24.000 1.000.00 ATOM 2650 OE1 GLU2 807 49.025 65.056 24.830 1.000.00 ATOM 2651 OE2 GLU2 807 49.429 63.068 24.144 1.000.00 ATOM 2652 H GLU2 807 47.501 67.616 21.977 1.000.00 ATOM 2653 N GLU2 808 49.432 65.317 18.893 1.000.00 ATOM 2654 CA GLU2 808 50.376 65.174 17.775 1.000.00 ATOM 2655 C GLU2 808 50.057 65.973 16.513 1.000.00 ATOM 2656 O GLU2 808 48.921 66.028 16.052 1.000.00 ATOM 2657 CB GLU2 808 50.575 63.670 17.509 1.000.00 ATOM 2658 CG GLU2 808 51.563 63.222 16.415 1.000.00 ATOM 2659 CD GLU2 808 53.002 63.633 16.696 1.000.00 ATOM 2660 OE1 GLU2 808 53.858 62.780 16.924 1.000.00 ATOM 2661 OE2 GLU2 808 53.327 64.812 16.606 1.000.00 ATOM 2662 H GLU2 808 48.805 64.563 19.089 1.000.00 ATOM 2663 N SER2 809 51.137 66.589 15.996 1.000.00 ATOM 2664 CA SER2 809 51.000 67.433 14.806 1.000.00 ATOM 2665 C SER2 809 52.048 67.187 13.719 1.000.00 ATOM 2666 O SER2 809 52.513 68.089 13.015 1.000.00 ATOM 2667 CB SER2 809 50.964 68.908 15.221 1.000.00 ATOM 2668 OG SER2 809 51.443 69.081 16.574 1.000.00 ATOM 2669 H SER2 809 52.031 66.451 16.423 1.000.00 ATOM 2670 HG SER2 809 50.845 68.527 17.078 1.000.00 ATOM 2671 N LYS2 810 52.446 65.901 13.655 1.000.00 ATOM 2672 CA LYS2 810 53.137 65.311 12.504 1.000.00 ATOM 2673 C LYS2 810 52.902 63.815 12.547 1.000.00 ATOM 2674 O LYS2 810 53.593 63.096 13.274 1.000.00 ATOM 2675 CB LYS2 810 54.664 65.522 12.411 1.000.00 ATOM 2676 CG LYS2 810 55.426 66.533 13.281 1.000.00 ATOM 2677 CD LYS2 810 55.615 66.195 14.769 1.000.00 SUBSTITUTE SHEET (RULE 26) ATOM 2678 CE LYS2 810 56.253 64.835 15.0951.00 0.00 ATOM 2679 NZ LYS2 810 55.246 63.776 15.0241.00 0.00 ATOM 2680 H LYS2 810 52.001 65.286 14.3071.00 0.00 ATOM 2681 1HZ LYS2 810 55.335 63.064 15.7781.00 0.00 ATOM 2682 2HZ LYS2 810 54.316 64.192 15.2451.00 0.00 ATOM 2683 3HZ LYS2 810 55.136 63.312 14.1001.00 0.00 ATOM 2684 N GLU2 811 51.881 63.421 11.7961.00 0.00 -ATOM 2685 CA GLU2 811 51.096 62.266 12.1821.00 0.00 ATOM 2686 C GLU2 811 51.002 61.260 11.0511.00 0.00 ATOM 2687 O GLU2 811 50.643 61.619 9.936 1.00 0.00 ATOM 2688 CB GLU2 811 49.722 62.767 12.6901.00 0.00 ATOM 2689 CG GLU2 811 48.708 63.403 11.7011.00 0.00 ATOM 2690 CD GLU2 B1I 48.932 64.868 11.3251.00 0.00 ATOM 2691 OE1 GLU2 811 47.945 65.580 11.1391.00 0.00 ATOM 2692 OE2 GLU2 811 50.072 65.309 11.1961.00 0.00 ATOM 2693 H GLU2 811 51.555 64.015 11.0601.00 0.00 ATOM 2694 N ALA2 812 51.365 60.012 11.3881.00 0.00 ATOM 2695 CA ALA2 812 51.371 58.887 10.4491.00 0.00 ATOM 2696 C ALA2 812 51.803 57.606 11.1601.00 0.00 ATOM 2697 0 ALA2 812 52.802 57.659 11.8801.00 0.00 ATOM 2698 CB ALA2 812 52.338 59.111 9.277 1.00 0.00 ATOM 2699 OXT ALA2 812 51.160 56.561 11.0041.00 0.00 ATOM 2700 H ALA2 812 51.621 59.777 12.3231.00 0.00 END

SUBSTITUTE SHEET (RULE 26) REMARK1 Model(NR2) the NMDA of NR2-B
Receptor Glutamate Binding Site ATOM 1 N LYS S 1 18.429 77.93739.479 1.00 0.00 ATOM 2 CA LYS S 1 17.556 78.09440.646 1.00 0.00 -ATOM 3 C LYS S 1 18.237 78.85441.768 1.00 0.00 ATOM 4 O~- LYS S 1 17.801 79.91942.195 1.00 0.00 ATOM 5 CB LYS S 1 17.092 76.74441.223 1.00 0.00 ATOM 6 CG LYS S 1 15.896 76.06940.553 1.00 0.00 ATOM 7 CD LYS S 1 15.533 74.73141.210 1.00 0.00 ATOM 8 CE LYS S 1 14.443 73.94740.467 1.00 0.00 ATOM 9 NZ LYS S 1 15.017 73.03139.467 1.00 0.00 ATOM 10 1H LYS S 1 18.907 78.83739.244 1.00 0.00 ATOM 11 2H LYS S 1 19.198 77.27639.679 1.00 0.00 ATOM 12 3H LYS S 1 17.921 77.60238.635 1.00 0.00 ATOM 13 1HZ LYS S 1 15.718 73.49738.853 1.00 0.00 ATOM 14 2HZ LYS S 1 15.434 72.21439.954 1.00 0.00 ATOM 15 3HZ LYS S 1 14.285 72.65538.831 1.00 0.00 ATOM 16 N LYS S 2 19.268 78.19042.310 1.00 0.00 ATOM 17 CA LYS S 2 19.708 78.70543.602 1.00 0.00 ATOM 18 C LYS S 2 21.208 78.79043.749 1.00 0.00 ATOM 19 O LYS S 2 21.733 79.70044.404 1.00 0.00 ATOM 20 CB LYS S 2 19.039 77.89444.733 1.00 0.00 ATOM 21 CG LYS S 2 19.268 78.41146.162 1.00 0.00 ATOM 22 CD LYS S 2 20.533 77.84746.819 1.00 0.00 ATOM 23 CE LYS S 2 21.235 78.84247.748 1.00 0.00 ATOM 24 NZ LYS S 2 21.652 80.02646.982 1.00 0.00 ATOM 25 H LYS S 2 19.635 77.36141.892 1.00 0.00 ATOM 26 1HZ LYS S 2 22.358 80.56147.519 1.00 0.00 ATOM 27 2HZ LYS S 2 22.062 79.76246.061 1.00 0.00 ATOM 28 3HZ LYS S 2 20.828 80.62446.781 1.00 0.00 ATOM 29 N PHE S 3 21.844 77.75743.174 1.00 0.00 ATOM 30 CA PHE S 3 23.290 77.61343.222 1.00 0.00 ATOM 31 C PHE S 3 23.689 76.51842.263 1.00 0.00 ATOM 32 O PHE S 3 23.019 75.49042.141 1.00 0.00 ATOM 33 CB PHE S 3 23.802 77.31744.641 1.00 0.00 ATOM 34 CG PHE S 3 25.264 77.69044.767 1.00 0.00 ATOM 35 CD1 PHE S 3 26.192 76.70945.175 1.00 0.00 ATOM 36 CD2 PHE S 3 25.680 79.01044.476 1.00 0.00 ATOM 37 CE1 PHE S 3 27.556 77.04445.278 1.00 0.00 ATOM 38 CE2 PHE S 3 27.043 79.34644.578 1.00 0.00 ATOM 39 CZ PHE S 3 27.969 78.35744.971 1.00 0.00 ATOM 40 H PHE S 3 21.339 77.08742.633 1.00 0.00 ATOM 41 N GLN S 4 24.782 76.81141.550 1.00 0.00 ATOM 42 CA GLN S 4 25.325 75.78140.670 1.00 0.00 ATOM 43 C GLN S 4 25.863 74.68141.564 1.00 0.00 ATOM 44 O GLN S 4 26.261 74.97642.688 1.00 0.00 ATOM 45 CB GLN S 4 26.406 76.44639.808 1.00 0.00 ATOM 46 CG GLN S 4 27.150 75.55838.811 1.00 0.00 ATOM 47 CD GLN S 4 28.625 75.58039.156 1.00 0.00 ATOM 48 OE1 GLN S 4 29.357 76.55138.957 1.00 0.00 ATOM 49 NE2 GLN S 4 29.061 74.46539.739 1.00 0.00 ATOM 50 H GLN S 4 25.335 7?.61741.767 1.00 0.00 ATOM 51 1HE2GLN S 4 30.013 74.36140.014 1.00 0.00 ATOM 52 2HE2GLN S 4 28.476 73.66939.919 1.00 0.00 ATOM 53 N ARG S 5 25.847 73.42841.079 1.00 0.00 ATOM 54 CA ARG S 5 26.355 72.36141.948 1.00 0.00 ATOM 55 C ARG S 5 27.637 72.71442.698 1.00 0.00 ATOM 56 O ARG S 5 28.700 72.99142.148 1.00 0.00 ATOM 57 CB ARG S 5 26.476 71.05641.165 1.00 0.00 ATOM 58 CG ARG S 5 26.858 69.78741.940 1.00 0.00 ATOM 59 CD ARG S 5 27.068 68.65540.933 1.00 0.00 ATOM 60 NE ARG S 5 27.356 67.35441.533 1.00 0.00 ATOM 61 CZ ARG S S 27.404 66.26040.741 1.00 0.00 ATOM 62 NH1 ARG S S 27.717 65.08141.265 1.00 0.00 ATOM 63 NH2 ARG S 5 27.167 66.35139.'4371.00 0.00 ATOM 64 H ARG S 5 25.340 73.23540.239 1.00 0.00 11g SUBSTITUTE SHEET (RULE 2fi) ATOM 65 HE ARG 5 27.737 67.23142.450 1.00 0.00 S

ATOM 66 HH1ARG 5 27.899 64.95342.238 1.00 0.00 ATOM 67 HH1ARG 5 27.782 64.277.40.669 1.00 0.-00 ATOM 68 HH2ARG 5 27.284 65.56138.816 1.00 0.00 ATOM 69 HH2ARG 5 26.877 67.20739.002 1.00 0.00 ATOM 70 N PRO 6 27.446 72.76544.032 1.00 0.00 _ S

ATOM 71 CA 6 28.582 73.13644.864 1.00 0.00 PRO
S

ATOM 72 C PRO 6 29.592 72.00644.939 1.00 0.00 S

ATOM 73 O PRO 6 29.296 70.89445.374 1.00 0.00 S

ATOM 74 CB PRO 6 27.872 73.51646.165 1.00 0.00 S

ATOM 75 CG PRO 6 26.562 72.73246.216 1.00 0.00 S

ATOM 76 CD PRO 6 26.190 72.56844.755 1.00 0.00 S

ATOM 77 N ASN 7 30.786 72.30844.437 1.00 0.00 S

ATOM 78 CA ASN 7 31.865 71.32444.516 1.00 0.00 S

ATOM 79 C ASN 7 33.128 71.84945.172 1.00 0.00 S

ATOM 80 O ASN 7 34.066 71.14045.524 1.00 0.00 S

ATOM B1 CB ASN 7 32.148 70.70043.156 1.00 0.00 S

ATOM 82 CG ASN 7 32.258 69.19643.299 1.00 0.00 S

ATOM 83 OD1ASN 7 31.726 68.44642.488 1.00 0.00 S

ATOM 84 ND2ASN 7 32.928 68.75644.367 1.00 0.00 S

ATOM 85 H ASN 7 30.880 73.22444.051 1.00 0.00 S

ATOM 86 ASN 7 33.012 67.77544.523 1.00 0.00 ATOM 87 ASN 7 33.402 69.36045.011 1.00 0.00 ATOM 88 N ASP 8 33.037 73.16645.411 1.00 0.00 S

ATOM 89 CA ASP 8 33.658 73.84246.549 1.00 0.00 S

ATOM 90 C ASP 8 33.736 72.96847.787 1.00 0.00 S

ATOM 91 O ASP 8 32.756 72.63448.459 1.00 0.00 S

ATOM 92 CB ASP 8 32.910 75.15746.834 1.00 0.00 S

ATOM 93 CG ASP B 31.406 74.97046.682 1.00 0.00 S

ATOM 94 ODlASP 8 30.898 75.12545.578 1.00 0.00 S

ATOM 95 OD2ASP 8 30.735 74.64447.647 1.00 0.00 S

ATOM 96 H ASP 8 32.360 73.69944.914 1.00 0.00 S

ATOM 97 N PHE 9 34.998 72.55847.982 1.00 0.00 S

ATOM 98 CA PHE 9 35.376 71.61249.033 1.00 0.00 S' ATOM 99 C PHE 9 34.608 70.30048.977 1.00 0.00 S

ATOM 100 O PHE 9 33.853 70.03,448.037 1.00 0.00 S

ATOM 101 CB PHE 9 35.297 72.27350.422 1.00 0.00 S

ATOM 102 CG PHE 9 36.133 73.53250.468 1.00 0.00 S

ATOM 103 CD1PHE 9 35.489 74.78850.436 1.00 0.00 S

ATOM 104 CD2PHE 9 37.540 73.43450.542 1.00 0.00 S

ATOM 105 CE1PHE 9 36.262 75.96450.470 1.00 0.00 S

ATOM 106 CE2PHE 9 38.315 74.60950.577 1.00 0.00 S

ATOM 107 CZ PHE 9 37.668 75.86350.539 1.00 0.00 S

ATOM 108 H PHE 9 35.700 72.92847.383 1.00 0.00 S

ATOM 109 N SER 10 34.791 69.50850.051 1.00 0.00 S

ATOM 110 CA SER 10 34.075 68.23250.016 1.00 0.00 S

ATOM 111 C SER 10 33.073 67.91851.137 1.00 0.00 S

ATOM 112 O SER 10 33.097 66.83151.709 1.00 0.00 S

ATOM 113 CB SER 10 35.117 67.11549.878 1.00 0.00 S

ATOM 114 OG SER 10 36.297 67.64049.236 1.00 0.00 S

ATOM 115 H SER 10 35.497 69.68550.731 1.00 0.00 S

ATOM 116 HG SER 10 36.772 66.86948.930 1.00 0.00 S

ATOM 117 N PRO 11 32.185 68.89251.506 1.00 0.00 S

ATOM 118 CA PRO 11 31.269 68.56752.601 1.00 0.00 S

ATOM 119 C PRO 11 30.090 67.70652.158 1.00 0.00 S

ATOM 120 O PRO 11 29.635 67.73951.009 1.00 0.00 S

ATOM 121 CB PRO 11 30.879 69.96153.109 1.00 0.00 S

122 CG PRO 11 30.876 70.84651.870 1.00 0.00 S

ATOM 123 CD PRO 11 31.986 70.25451.012 1.00 0.00 S

ATOM N PRO 12 29.625 66.90353.139 1.00 0.00 S

ATOM 124 CA PRO 12 359 66.20252.960 1.00 0.00 ATOM 125 PRO 12 . 67.16652.921 1.00 0.00 ATOM 126 C PRO 12 . 68.31453.371 1.00 0.00 ATOM 127 O S 12 . 265 54.171 1.00 0.00 ATOM 128 CB PRO . . 55.252 1.00 0.00 ATOM 129 CG PRO 12 . . 442 00 0 ATOM 130 CD PRO 12 30.235 66.653. . .
S

S 13 115 568 52.359 1.00 0.00 ATOM 131 N PHE . .

SUBSTITUTE SHEET (RULE 26) ATOM 132 CA PHES 13 24.839 67.215 52.0301.00 0.00 ATOM 133 C PHES 13 24.831 67.806 50.6291.00 0.00 ATOM 134 O PHES 13 23.816 68.261 50.1001.00 0-.00 ATOM 135 CS PHES 13 24.356 68.228 53.0921.00 0.00 _ ATOM 136 CG PHES 13 22.849 68.324 53.1721.00 0.00 ATOM 137 CD1 PHES 13 22.161 69.278 52.3891.00 0.00 ATOM 138 CD2 PHES 13 22.154 67.467 54.0521.00 0.00 ATOM 139 CEl PHES I3 20.760 69.375 52.4871.00 0.00 ATOM 140 CE2 PHES 13 20.752 67.564 54.1541.00 0.00 ATOM 141 CZ PHES 13 20.070 68.518 53.3701.00 0.00 ATOM 142 H PHES 13 26.275 65.637 52.0311.00 0.00 ATOM 143 N ARGS 14 26.009 67.779 49.9901.00 0.00 ATOM 144 CA ARGS 14 25.977 68.012 48.5531.00 0.00 ATOM 145 C ARGS 14 25.576 66.762 47.8251.00 0.00 ATOM 146 O ARGS 14 26.434 66.023 47.3191.00 0.00 ATOM 147 CB ARGS 14 27.320 68.450 47.9851.00 0.00 ATOM 148 CG ARGS 14 27.577 69.933 48.1541.00 0.00 ATOM 149 CD ARGS 14 28.043 70.329 49.5471.00 0.00 ATOM 150 NE ARGS 14 28.012 71.777 49.6991.00 0.00 ATOM 151 CZ ARGS 14 29.002 72.564 49.2301.00 0.00 ATOM 152 NH1 ARGS 14 28.917 73.873 49.4371.00 0.00 ATOM 153 NH2 ARGS 14 30.051 72.084 48.5591.00 0.00 ATOM 154 H ARGS 14 26.831 67.419 50.4241.00 0.00 ATOM 155 HE ARGS 14 27.172 72.119 50.1161.00 0.00 ATOM 156 1HFI1ARGS 14 29.605 74.465 48.9911.00 0.00 ATOM 157 2HH1ARGS 14 28.205 74.309 49.9881.00 0.00 ATOM 158 1HH2ARGS 14 30.829 72.678 48.2901.00 0.00 ATOM 159 2HH2ARGS 14 30.091 71.117 48.2931.00 0.00 ATOM 160 N PHES 15 24.253 66.582 47.8131.00 0.00 ATOM 161 CA PHES 15 23.685 65.410 47.1681.00 0.00 ATOM 162 C PHES 15 23.906 65.326 45.6751.00 0.00 ATOM 163 O PHES 15 23.092 65.748 44.8551.00 0.00 ATOM 164 CB PHES 15 22.204 65.253 47.5181.00 0.00 ATOM 165 CG PHES 15 21.995 65.130 49.0111.00 0.00 ATOM 166 CD1 PHES 15 21.049 65.972 49.6331.00 0.00 ATOM 167 CD2 PHES I5 22.725 64.177 49.7571.00 0.00 ATOM 168 CE1 PHES 15 20.821 65.851 51.0161.00 0.00 ATOM 169 CE2 PHES 15 22.501 64.056 51.1411.00 0.00 ATOM 170 CZ PHES 15 21.545 64.891 51.7551.00 0.00 ATOM 171 H PHES 15 23.696 67.227 48.3381.00 0.00 ATOM 172 N GLYS 16 25.056 64.680 45.4151.00 0.00 ATOM 173 CA GLYS 16 25.367 64.047 44.1391.00 0.00 ATOM 174 C GLYS 16 24.880 62.609 44.1641.00 0.00 ATOM 175 O GLYS 16 24.477 62.111 45.2181.00 0.00 ATOM 176 H GLYS 16 25.570 64.494 46.2481.00 0.00 ATOM 177 N THRS 17 24.874 62.013 42.9551.00 0.00 ATOM 178 CA THRS I7 24.230 60.722 42.6861.00 0.00 ATOM 179 C THRS 17 24.557 60.144 41.2931.00 0.00 ATOM 180 O THRS 17 25.268 60.728 40.4791.00 0.00 ATOM 181 CB THRS 17 22.708 60.831 42.9811.00 0.00 ATOM 182 OG1 THRS 17 21.975 59.674 42.5671.00 0.00 ATOM 183 CG2 THRS 17 22.052 62.064 42.3841.00 0.00 ATOM 184 H THRS 17 25.440 62.364 42.2101.00 0.00 ATOM 185 HG1 THRS 17 21.834 59.815 41.6281.00 0.00 ATOM 186 N VALS 18 24.008 58.926 41.0811.00 0.00 ATOM 187 CA VALS 18 24.028 58.089 39.8681.00 0.00 ATOM 188 C VALS 18 22.836 57.137 40.0261.00 0.00 ATOM 189 O VALS 18 22.102 57.326 40.9901.00 0.00 ATOM 190 CB VALS 18 25.359 57.312 39.7541.00 0.00 ATOM 191 CG1 VALS 18 26.355 58.076 38.9071.00 0.00 ATOM 192 CG2 VALS 18 25.977 56.901 41.0911.00 0.00 ATOM 193 H VALS 18 23.453 58.570 41.8331.00 0.00 ATOM 194 N PROS 19 22.628 56.111 39.1461.00 0.00 ATOM 195 CA PROS 19 21.998 54.873 39.6341.00 0.00 ATOM 196 C PROS 19 23.060 54.040 40.3341.00 0.00 ATOM 197 O PROS 19 24.173 54.508 40.5491.00 0.00 ATOM 198 CB PROS 19 21.561 54.201 38.3321.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 199 CG PRO 19 22.611 54.620 37.3071.00 0.00 S

ATOM 200 CD PRO 19 22.919 56.052 37.7201.00 0.00 S

ATOM 201 N ASN 20 22.739 52.777 40.6301.00 0:00 S

ATOM 202 CA ASN 20 23.896 51.907 40.8641.00 0.00 S

ATOM 203 C ASN 20 24.467 51.470 39.5411.00 0.00 S

ATOM 204 O ASN 20 24.047 50.440 39.0191.00 0.00 - S

ATOM 205 _ ASN 20 23.549 50.663 41.6961.00 0.00 CB S

ATOM 206 CG ASN 20 23.956 50.899 43.1321.00 0.00 S

ATOM 207 OD1ASN 20 24.140 52.039 43.5561.00 0.00 S

ATOM 208 ND2ASN 20 24.123 49.802 43.8611.00 0.00 S

ATOM 209 H ASN 20 21.807 52.433 40.5161.00 0.00 S

ATOM 210 ASN 20 24.486 49.907 44.7831.00 0.00 ATOM 211 ASN 20 23.906 48.890 43.5291.00 0.00 ATOM 212 N GLY 21 25.370 52.313 39.0201.00 0.00 S

ATOM 213 CA GLY 21 25.862 52.113 37.6611.00 0.00 S

ATOM 214 C GLY 21 27.217 52.744 37.3711.00 0.00 S

ATOM 215 O GLY 21 28.204 52.474 38.0531.00 0.00 S

ATOM 216 H GLY 21 25.578 53.163 39.5061.00 0.00 S

ATOM 217 N SER 22 27.208 53.555 36.2931.00 0.00 S

ATOM 218 CA SER 22 28.422 53.834 35.5191.00 0.00 S

ATOM 219 C SER 22 29.610 54.536 36.1931.00 0.00 S

ATOM 220 O SER 22 30.735 54.039 36.1771.00 0.00 S

ATOM 221 CB SER 22 27.980 54.521 34.2091.00 0.00 S

ATOM 222 OG SER 22 28.876 54.228 33.1211.00 0.00 S

ATOM 223 H SER 22 26.347 53.787 35.8381.00 0.00 S

ATOM 224 HG SER 22 29.501 54.957 33.1331.00 0.00 S

ATOM 225 N THR 23 29.307 55.733 36.7531.00 0.00 S

ATOM 226 CA THR 23 30.399 56.659 37.0921.00 0.00 S

ATOM 227 C THR 23 30.577 57.102 38.5491.00 0.00 S

ATOM 228 O THR 23 31.575 56.734 39.1631.00 0.00 S

ATOM 229 CB THR 23 30.366 57.843 36.1141.00 0.00 S

ATOM 230 OG1THR 23 30.836 57.422 34.8261.00 0.00 S

ATOM 231 CG2THR 23 31.182 59.065 36.5391.00 0.00 S

ATOM 232 H THR 23 28.341 56.000 36.7651.00 0.00 S

ATOM 233 HG1THR 23 30.363 56.637 34.5391.00 0.00 S

ATOM 234 N GLU 24 29.592 57.881 39.1081.00 0.00 S

ATOM 235 CA GLU 24 29.854 58.455 40.4561.00 0.00 S

ATOM 236 C GLU 24 30.387 57.440 41.4601.00 0.00 S

ATOM 237 O GLU 24 31.396 57.667 42.1261.00 0.00 S

ATOM 238 CB GLU 24 28.725 59.351 41.0591.00 0.00 S

ATOM 239 CG GLU 24 29.220 60.544 41.9201.00 0.00 S

ATOM 240 CD GLU 24 28.134 61.435 42.5591.00 0.00 S

ATOM 241 OElGLU 24 27.499 62.274 41.9101.00 0.00 S

ATOM 242 OE2GLU 24 27.949 61.340 43.7651.00 0.00 S

ATOM 243 H GLU 24 28.890 58.254 38.4971.00 0.00 S

ATOM 244 N ARG 25 29.751 56.244 41.4271.00 0.00 S

ATOM 245 CA ARG 25 30.288 55.111 42.1971.00 0.00 S

ATOM 246 C ARG 25 31.808 54.889 42.1431.00 0.00 S

ATOM 247 O ARG 25 32.436 54.865 43.1891.00 0.00 S

ATOM 248 CB ARG 25 29.455 53.833 41.9641.00 0.00 S

ATOM 249 CG ARG 25 29.732 52.572 42.8221.00 0.00 S

ATOM 250 CD ARG 25 29.679 52.682 44.3641.00 0.00 S

ATOM 251 NE ARG 25 30.843 53.423 44.8311.00 0.00 S

ATOM 252 CZ ARG 25 30.794 54.388 45.7731.00 0.00 S

ATOM 253 NH1 25 31.545 55.459 45.5971.00 0.00 ARG
S

ATOM 254 NH2 25 30.016 54.305 46.8511.00 0.00 ARG
S

ATOM 255 H ARG 25 28.972 56.164 40.8131.00 0.00 S

ATOM 256 HE ARG 25 31.649 53.389 44.2301.00 0.00 S

ATOM 257 1HH1 25 31.544 56.207 46.2651.00 0.00 ARG
S

ATOM 258 2HH1 25 32.124 55.549 44.?811.00 0.00 ARG
S

ATOM 259 1HH2 25 29.977 55.084 47.5001.00 0.00 ARG
S

ATOM 260 2HH2 25 29.504 53.476 47.0601.00 0.00 ARG
S

ATOM 261 N ASN 26 32.415 54.826 40.9471.00 0.00 S

ATOM 262 CA ASN 26 33.893 54.856 41.0091.00 0.00 S

ATOM 263 C ASN 26 34.439 56.188 41.5201.00 0.00 S

ATOM 264 O ASN 26 35.011 56.280 42.6081.00 0.00 S

ATOM 265 CB ASN 26 34.546 54.460 39.6701.00 0.00 S

SUBSTITUTE SHEET {RULE 26) ATOM 266 CG ASN S 26 36.075 54.381 39.7561.00 0.00 ATOM 267 OD1 ASN S 26 36.688 53.876 40.6871.00 0.00 ATOM 268 ND2 ASN S 26 36.698 54.880 38.6801.00 0:00 ATOM 269 H ASN S 26 31.920 54.923 40.0831.00 0.00 ATOM 270 1HD2ASN S 26 37.694 54.869 38.5861.00 0.00 ATOM 271 2HD-2ASN S 26 36.192 55.317 37.9291.00 0.00 ATOM 272 N ILE S 27 34.169 57.237 40.7141.00 0.00 ATOM 273 CA ILE S 27 34.856 58.516 40.9411.00 0.00 ATOM 274 C ILE S 27 34.916 58.979 42.3781.00 0.00 ATOM 275 O ILE S 27 35.983 58.908 42.9761.00 0.00 ATOM 276 CB ILE S 27 34.412 59.628 39.9581.00 0.00 ATOM 277 CGl ILE S 27 34.950 61.028 40.2771.00 0.00 ATOM 278 CG2 ILE S 27 32.905 59.694 39.7851.00 0.00 ATOM 279 CD1 ILE S 27 34.656 62.024 39.1561.00 0.00 ATOM 280 H ILE S 27 33.576 57.073 39.9261.00 0.00 ATOM 281 N ARG S 28 33.748 59.364 42.9221.00 0.00 ATOM 282 CA ARG S 28 33.?41 59.942 44.2621.00 0.00 ATOM 283 C ARG S 28 34.169 59.019 45.3911.00 0.00 ATOM 284 O ARG S 28 34.485 59.463 46.4911.00 0.00 ATOM 285 CB ARG S 28 32.372 60.569 44.5051.00 0.00 ATOM 286 CG ARG S 28 32.327 61.827 45.3761.00 0.00 ATOM 287 CD ARG S 28 30.915 62.403 45.2771.00 0.00 ATOM 288 NE ARG S 28 30.751 63.728 45.8791.00 0.00 ATOM 289 CZ ARG S 2B 29.493 64.215 45.9901.00 0.00 ATOM 290 NH1 ARG S 28 29.253 65.379 46.5891.00 0.00 ATOM 291 NH2 ARG S 28 28.469 63.524 45.4901.00 0.00 ATOM 292 H ARG S 28 32.909 59.336 42.3861.00 0.00 ATOM 293 HE ARG S 28 31.573 64.216 46.1811.00 0.00 ATOM 294 1HH1ARG S 28 28.334 65.735 46.7971.00 0.00 ATOM 295 2HH1ARG S 28 30.043 65.942 46.8491.00 0.00 ATOM 296 1HH2ARG S 28 27.508 63.734 45.6701.00 0.00 ATOM 297 2HH2ARG S 28 28.630 62.734 44.8821.00 0.00 ATOM 298 N ASN S 29 34.176 57.709 45.0841.00 0.00 ATOM 299 CA ASN S 29 34.803 56.758 46.0171.00 0.00 ATOM 300 C ASN S 29 36.263 57.087 46.2241.00 0.00 ATOM 301 O ASN S 29 36.725 57.490 47.2871.00 0.00 ATOM 302 CB ASN S 29 34.720 55.310 45.5091.00 0.00 ATOM 303 CG ASN S 29 34.669 54.318 46.6511.00 0.00 ATOM 304 OD1 ASN S 29 33.679 54.262 47.371I.00 0.00 ATOM 305 ND2 ASN S 29 35.723 53.511 46.7501.00 0.00 ATOM 306 H ASN S 29 33.936 57.456 44.1521.00 0.00 ATOM 307 1HD2ASN S 29 35.758 52.838 47.4861.00 0.00 ATOM 308 2HD2ASN S 29 36.439 53.560 46.0531.00 0.00 ATOM 309 N ASN S 30 36.988 56.936 45.1131.00 0.00 ATOM 310 CA ASN S 30 38.398 57.327 45.1201.00 0.00 ATOM 311 C ASN S 30 38.613 58.804 45.4431.00 0.00 ATOM 312 O ASN S 30 39.524 59.200 46.1521.00 0.00 ATOM 313 CB ASN S 30 39.048 56.915 43.7961.00 0.00 ATOM 314 CG ASN S 30 40.558 56.873 43.9361.00 0.00 ATOM 315 OD1 ASN S 30 41.290 57.810 43.6451.00 0.00 ATOM 316 ND2 ASN S 30 41.016 55.706 44.4091.00 0.00 ATOM 317 H ASN S 30 36.533 56.601 44.2921.00 0.00 ATOM 318 1HD2ASN S 30 42.001 55.549 44.5061.00 0.00 ATOM 319 2HD2ASN S 30 40.392 54.974 44.6861.00 0.00 ATOM 320 N TYR S 31 37.660 59.600 44.9571.00 0.00 ATOM 321 CA TYR S 31 37.669 61.050 45.1081.00 0.00 ATOM 322 C TYR S 31 36.956 61.472 46.3761.00 0.00 ATOM 323 O TYR S 31 36.161 62.412 46.3651.00 0.00 ATOM 324 CB TYR S 31 36.941 61.672 43.9151.00 0.00 ATOM 325 CG TYR S 31 37.620 62.900 43.3721.00 0.00 ATOM 326 CD1 TYR S 31 38.066 62.849 42.0401.00 0.00 ATOM 327 CD2 TYR S 31 37.775 64.049 44.1761.00 0.00 ATOM 328 CEl TYR S 31 38.692 63.973 41.4921.00 0.00 ATOM 329 CE2 TYR S 31 38.401 65.178 43.6271.00 0.00 ATOM 330 CZ TYR S 31 38.851 65.117 42.2931.00 0.00 ATOM 331 OH TYR S 31 39.479 66.208 41.7311.00 0.00 ATOM 332 H TYR S 31 36.861 59.148 44.5771.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 333 HH TYR 31 39.688 66.855 42.401 1.000.00 S

ATOM 334 N ALA 32 37.235 60.706 47.453 1.000.00 S

ATOM 335 CA ALA 32 36.629 60.868 48.782 1.000.00 S

ATOM 336 C ALA 32 35.110 60.918 48.806 1.00D.00 S

ATOM 337 O ALA 32 34.490 61.806-48.222 1.000.00 S

ATOM 338 CB ALA 32 37.180 62.107 49.495 1.000.00 S

ATOM 339 H ALA 32 37.940 60.002 47.347 1.000.00 ' S

ATOM 340 N GLU 33 34.514 59.929 49.496 1.000.00 S

ATOM 341 CA GLU 33 33.054 59.971 49.549 1.000.00 S

ATOM 342 C GLU 33 32.496 60.963 50.557 1.000.00 S

ATOM 343 O GLU 33 32.077 60.676 51.675 1.000.00 S

ATOM 344 CB GLU 33 32.411 58.575 49.615 1.000.00 S

ATOM 345 CG GLU 33 30.908 58.642 49.289 1.000.00 S

ATOM 346 CD GLU 33 30.355 57.310 48.803 1.000.00 S

ATOM 347 OE1 GLU 33 29.337 56.853 49.316 1.000.00 S

ATOM 348 OE2 GLU 33 30.909 56.730 47.876 1.000.00 S

ATOM 349 H GLU 33 35.076 59.217 49.915 1.000.00 S

ATOM 350 N MET 34 32.513 62.198 50.046 1.000.00 S

ATOM 351 CA MET 34 31.760 63.353 50.504 1.000.00 S

ATOM 352 C MET 34 30.304 62.939 50.501 1.000.00 S

ATOM 353 O MET 34 29.672 62.925 49.450 1.000.00 S

ATOM 354 CB MET 34 32.106 64.404 49.443 1.000.00 S

ATOM 355 CG MET 34 31.279 65.672 49.241 1.000.00 S

ATOM 356 SD MET 34 31.960 66.555 47.819 1.000.00 S

ATOM 357 CE MET 34 31.004 68.077 47.899 1.000.00 S

ATOM 358 H MET 34 33.000 62.259 49.179 1.000.00 S

ATOM 359 N HIS 35 29.838 62.514 51.684 1.000.00 S

ATOM 360 CA HIS 35 28.544 61.829 51.749 1.000.00 S

ATOM 361 C HIS 35 27.442 62.485 50.928 1.000.00 S

ATOM 362 O HIS 35 27.149 63.671 51.046 1.000.00 S

ATOM 363 CB HIS 35 28.139 61.628 53.218 1.000.00 S

ATOM 364 CG HIS 35 26.715 61.133 53.323 1.000.00 S

ATOM 365 NDl HIS 35 26.331 59.864 53.090 1.000.00 S

ATOM 366 CD2 HIS 35 25.588 61.900 53.628 1.000.00 S

ATOM 367 CE1 HIS 35 24.970 59.822 53.244 1.000.00 S

ATOM 368 NE2 HIS 35 24.515 61.078 53.572 1.000.00 S

ATOM 369 H HIS 35 30.490 62.439 52.441 1.000.00 S

ATOM 370 HD1 HIS 35 26.906 59.101 52.864 1.000.00 S

ATOM 371 N ALA 36 26.871 61.653 50.061 1.000.00 S

ATOM 372 CA ALA 36 25.825 62.151 49.180 1.000.00 S

ATOM 373 C ALA 36 24.777 61.087 48.948 1.000.00 S

ATOM 374 O ALA 36 24.901 59.963 49.435 1.000.00 S

ATOM 375 CB ALA 36 26.440 62.550 47.845 1.000.00 S

ATOM 376 H ALA 36 27.151 60.693 50.060 1.OD0.00 S

ATOM 377 N TYR 37 23.766 61.465 48.144 1.000.00 S

ATOM 378 CA TYR 37 22.724 60.500 47.781 1.000.00 S

ATOM 379 C TYR 37 23.148 59.631 46.596 1.000.00 S

ATOM 380 O TYR 37 22.405 59.347 45.662 1.000.00 S

ATOM 381 CH TYR 37 21.420 61.289 47.536 1.000.00 S

ATOM 382 CG TYR 37 20.115 60.501 47.530 1.000.00 S

ATOM 383 CD1 37 18.934 61.209 47.842 1.000.00 TYR
S

ATOM 384 CD2 37 20.066 59.135 47.173 1.000.00 TYR
S

ATOM 385 CE1 37 17.686 60.583 47.674 1.000.00 TYR
S

ATOM 386 CE2 37 18.824 58.509 46.989 1.000.00 TYR
S

ATOM 387 CZ TYR 37 17.650 59.259 47.190 1.000.00 S

ATOM 388 OH TYR 37 16.436 58.678 46.863 1.000.00 S

ATOM 389 H TYR 37 23.798 62.358 47.701 1.000.00 S

ATOM 390 HH TYR 37 15.752 59.051 47.415 1.000.00 S

ATOM 391 N MET 38 24.414 59.207 46.681 1.000.00 S

ATOM 392 CA MET 38 25.010 58.455 45.589 1.000.00 S

ATOM 393 C MET 38 24.245 57.183 45.296 1.000.00 S

ATOM 394 O MET 38 23.695 56.520 46.185 1.000.00 S

ATOM 395 CB MET 38 26.475 58.176 45.898 1.000.00 S

ATOM 396 CG MET 38 27.283 57.815 44.653 1.000.00 S

ATOM 397 SD MET 38 28.985 57.453 45.066 1.000.00 S

ATOM 398 CE MET 38 29.343 59.022 45.866 1.000.00 S

ATOM 399 H MET 38 24.946 59.407 47.499 1.000.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 400 N GLYS 39 24.195 56.911 43.999 1.000.00 ATOM 401 CA GLYS 39 23.184 56.061 43.388 1.000.00 ATOM 402 C GLYS 39 22.824 54.737 44.003 1.000.00 _ ATOM 403 O GLYS 39 23.444 54.238 44.942 1.000.00 ATOM 404 H GLYS 39 24.833 57.436 43.441 1.000.00 -ATOM 405 N LYSS 40 21.722 54.225 43.430 1.000.00 ATOM 406 CA- LYSS 40 21.147 52.912 43.743 1.000.00 ATOM 407 C LYSS 40 20.192 52.472 42.649 1.000.00 ATOM 408 O LYSS 40 20.391 51.510 41.912 1.000.00 ATOM 409 CB LYSS 40 20.425 52.929 45.093 1.000.00 ATOM 410 CG LYSS 40 21.219 52.237 46.200 1.000.00 ATOM 411 CD LYSS 40 20.853 52.782 47.583 1.000.00 ATOM 412 CE LYSS 40 21.115 54.289 47.692 1.000.00 ATOM 413 NZ LYSS 40 22.522 54.568 47.403 1.000.00 ATOM 414 H LYSS 40 21.367 54.796 42.684 1.000.00 ATOM 415 1HZ LYSS 40 23.132 54.180 48.136 1.000.00 ATOM 416 2HZ LYSS 40 22.782 54.150 46.489 1.000.00 ATOM 417 3HZ LYSS 40 22.688 55.586 47.317 1.000.00 ATOM 418 N PHES 41 19.117 53.259 42.585 1.000.00 ATOM 419 CA PHES 41 18.236 53.146 41.432 1.000.00 ATOM 420 C PHES 41 18.330 54.473 40.726 1.000.00 ATOM 421 O PHES 41 18.772 55.456 41.317 1.000.00 ATOM 422 CB PHES 41 16.796 52.869 41.873 1.000.00 ATOM 423 CG PHES 41 16.723 51.550 42.608 1.000.00 ATOM 424 CD1 PHES 41 16.634 51.549 44.017 1.000.00 ATOM 425 CD2 PHES 41 16.753 50.342 41.876 1.000.00 ATOM 426 CE1 PHES 41 16.585 50.323 44.707 1.000.00 ATOM 427 CE2 PHES 41 16.704 49.115 42.565 1.000.00 ATOM 428 CZ PHES 41 16.623 49.118 43.974 1.000.00 ATOM 429 H PHES 41 19.031 54.092 43.132 1.000.00 ATOM 430 N ASNS 42 17.937 54.489 39.447 1.000.00 ATOM 431 CA ASNS 42 17.922 55.835 38.870 1.000.00 ATOM 432 C ASNS 42 16.532 56.395 38.761 1.000.00 ATOM 433 O ASNS 42 16.301 57.508 38.334 1.000.00 ATOM 434 CB ASNS 42 18.598 55.937 37.510 1.000.00 ATOM 435 CG ASNS 42 18.961 57.391 37.260 1.000.00 ATOM 436 ODl ASNS 42 19.220 58.191 38.163 1.000.00 ATOM 437 ND2 ASNS 42 19.023 57.705 35.969 1.000.00 ATOM 438 H ASNS 42 17.492 53.689 39.037 1.000.00 ATOM 439 1HD2ASNS 42 19.488 58.547 35.687 1.000.00 ATOM 440 2HD2ASNS 42 18.602 57.115 35.286 1.000.00 ATOM 441 N GLNS 43 15.580 55.561 39.183 1.000.00 ATOM 442 CA GLNS 43 14.201 56.000 39.004 1.000.00 ATOM 443 C GLNS 43 13.874 57.157 39.943 1.000.00 ATOM 444 O GLNS 43 13.472 58.236 39.532 1.000.00 ATOM 445 CB GLNS 43 13.290 54.771 39.142 1.000.00 ATOM 446 CG GLNS 43 13.337 53.768 37.963 1.000.00 ATOM 447 CD GLNS 43 14.709 53.132 37.725 1.000.00 ATOM 448 OEl GLNS 43 15.521 52.928 38.626 1.000.00 ATOM 449 NE2 GLNS 43 14.961 52.860 36.440 1.000.00 ATOM 450 H GLNS 43 15.765 54.636 39.516 1.000.00 ATOM 451 1HE2GLNS 43 15.869 52.531 36.172 1.000.00 ATOM 452 2HE2GLNS 43 14.264 52.973 35.734 1.000.00 ATOM 453 N ARGS 44 14.185 56.883 41.231 1.000.00 ATOM 454 CA ARGS 44 14.220 57.979 42.212 1.000.00 ATOM 455 C ARGS 44 15.401 58.924 42.040 1.000.00 ATOM 456 O ARGS 44 15.439 60.051 42.534 1.000.00 ATOM 457 CB ARGS 44 14.190 57.434 43.643 1.000.00 ATOM 458 CG ARGS 44 12.848 56.824 44.065 1.000.00 ATOM 459 CD ARGS 44 11.728 57.855 44.254 1.000.00 ATOM 460 NE ARGS 44 10.474 57.199 44.620 1.000.00 ATOM 461 CZ ARGS 44 9.290 57.530 44.041 1.000.00 ATOM 462 NH1 ARGS 44 8.178 56.927 44.469 1.000.00 ATOM 463 NH2 ARGS 44 9.194 58.415 43.056 1.000.00 ATOM 464 H ARGS 44 14.567 55.985 41.426 1.000.00 ATOM 465 HE ARGS 44 10.504 56.529 45.362 1.000.00 ATOM 466 1HH1ARGS 44 7.292 57.135 44.051 1.000.00 SUBSTITUTE SHEET (RULE 26) ATOM 467 ARG 44 8.191 56.24945.206 1.00 0.00 ATOM 468 ARG 44 8.341 58.78042.683 1.00 0.00 ATOM 469 HH2 ARG 44 10.017 58.77842.598 1.00 0.00 ATOM 470 N GLY 45 16.382 58.40441.2.791.00 0.00 S

ATOM 471 CA GLY 45 17.380 59.31740.735 1.00 0.00 S -ATOM 472 C GLY 45 16.747 60.43139.924 1.00 0.00 S

ATOM 473 0~- GLY 45 17.057 61.59740.130 1.00 0.00 S

ATOM 474 H GLY 45 16.348 57.44041.037 1.00 0.00 S

ATOM 475 N VAL 46 15.829 60.03539.032 1.00 0.00 S

ATOM 476 CA VAL 46 15.150 60.99538.163 1.00 0.00 S

ATOM 477 C VAL 46 14.159 61.86438.911 1.00 0.00 S

ATOM 478 O VAL 46 14.122 63.07438.720 1.00 0.00 S

ATOM 479 CB VAL 46 14.493 60.29836.956 1.00 0.00 S

ATOM 480 CG1 VAL 46 13.732 61.27136.047 1.00 0.00 S

ATOM 481 CG2 VAL 46 15.534 59.53436.138 1.00 0.00 S

ATOM 482 H VAL 46 15.535 59.08239.015 1.00 0.00 S

ATOM 483 N ASP 47 13.392 61.24539.831 1.00 0.00 S

ATOM 484 CA ASP 47 12.411 62.04840.587 1.00 0.00 S

ATOM 485 C ASP 47 12.978 63.34041.157 1.00 0.00 S

ATOM 486 O ASP 47 12.491 64.44940.984 1.00 0.00 S

ATOM 487 CB ASP 47 11.827 61.27941.774 1.00 0.00 S

ATOM 488 CG ASP 47 10,947 60.12441.357 1.00 0.00 S

ATOM 489 ODl ASP 47 11.402 58.98441.409 1.00 0.00 S

ATOM 490 OD2 ASP 47 9.779 60.33541.045 1.00 0.00 S

ATOM 491 H ASP 47 13.373 60.24439.919 1.00 0.00 S

ATOM 492 N ASP 48 14.109 63.16141.848 1.00 0.00 S

ATOM 493 CA ASP 48 14.615 64.33842.561 1.00 0.00 S

ATOM 494 C ASP 48 15.392 65.35941.750 1.00 0.00 S

ATOM 495 O ASP 48 16.005 66.27942.298 1.00 0.00 S

ATOM 496 CB ASP 48 15.478 64.01743.777 1.00 0.00 S

ATOM 497 CG ASP 48 14.946 62.96844.734 1.00 0.00 S

ATOM 498 OD1 ASP 48 15.398 62.95745.869 1.00 0.00 S

ATOM 499 OD2 ASP 48 14.171 62.09644.360 1.00 0.00 S

ATOM 500 H ASP 48 14.550 62.26641.920 1.00 0.00 S

ATOM 501 N ALA 49 15.341 65.19540.423 1.00 0.00 S

ATOM 502 CA ALA 49 15.638 66.37639.632 1.00 0.00 S

ATOM 503 C ALA 49 14.405 67.26439.542 1.00 0.00 S

ATOM 504 0 ALA 49 14.470 68.47739.717 1.00 0.00 S

ATOM 505 CB ALA 49 16.146 65.97938.250 1.00 0.00 S

ATOM 506 H ALA 49 14.877 64.41640.004 1.00 0.00 S

ATOM 507 N LEU 50 13.251 66.60939.349 1.00 0.00 S

ATOM 508 CA LEU 50 11.961 67.29339.494 1.00 0.00 S

ATOM 509 C LEU 50 11.730 67.90240.880 1.00 0.00 S

ATOM 510 O LEU 50 11.120 68.95541.050 1.00 0.00 S

ATOM 511 CB LEU 50 10.830 66.33639.085 1.00 0.00 S

512 CG LEU 50 9.393 66.83439.288 1.00 0.00 S

ATOM 513 CD1 LEU 50 9.070 68.08538.470 1.00 0.00 S

ATOM CD2 50 382 65.71339.052 1.00 0.00 S

ATOM 514 LEU 50 . 65.61539.249 1.00 0.00 ATOM 515 H LEU 51 . 67.20041.880 1.00 0.00 ATOM 516 S 51 . 783 43.222 1.00 0.00 ATOM 517 CA LEU . . 478 1.00 0.00 ATOM 518 C LEU 51 13.443 . .
S

ATOM 519 O LEU 51 13.441 69.57044.366 1.00 0.00 S

ATOM 520 CB LEU 51 12.199 66.65044.250 1.00 0.00 S

ATOM 521 CG LEU 51 11.837 67.07445.676 1.00 0.00 S

ATOM 522 CD1 51 10.499 67.81445.740 1.00 0.00 LEU
S

ATOM 523 CD2 51 11.870 65.88246.633 1.00 0.00 LEU
S

ATOM 524 H LEU 51 12.729 66.34041.659 1.00 0.00 S

525 N SER 52 14.478 68.52742.646 1.00 0.00 S

ATOM SER 52 717 69.29342.802 1.00 0.00 ATOM 526 CA 52 . 163 44.172 1.00 0.00 ATOM 527 C SER 52 . . 44.650 1.00 0.00 ATOM 528 O SER . . 42.408 1.00 0.00 ATOM 529 CB SER 52 . . 013 1.00 0.00 ATOM 530 OG SER 52 15.1 . . 0 00 ATOM 531 H SER 52 14.428 67.78641.985 1.0 .
S

ATOM 532 HG SER 52 14.497 70.08740.888 1.00 0.00 S

S 53 16 68.02144.818 1.00 0.00 ATOM 533 N LEU .

SUBSTITUTE SHEET (RULE 26) ATOM 534 CA LEU S 53 16.553 67.81946.192 1.00 0.00 ATOM 535 C LEU S 53 18.029 67.47246.265 1.00 0.00 ATOM 536 O LEU S 53 18.837 68.11646.948 1.00 0.00 ATOM 537 CB LEU S 53 15.699 66.74346.871 1.00 0.00 ATOM 538 CG LEU S 53 15.991 66.5-3748.361 i.00 0.00 -ATOM 539 CDl LEU S 53 15.662 67.78049.190 1.00 0.00 ATOM 540 CI52LEU S 53 15.300 65.28448.900 1.00 0.00 ATOM 541 H LEU S 53 15.589 67.28844.348 1.00 0.00 ATOM 542 N LYS S 54 18.313 66.43145.473 1.00 0.00 ATOM 543 CA LYS S 54 19.682 66.10445.123 1.00 0.00 ATOM 544 C LYS S 54 20.319 67.29144.410 1.00 0.00 ATOM 545 O LYS S 54 20.060 67.52843.240 1.00 0.00 ATOM 546 CB LYS S 54 19.668 64.86144.217 1.00 0.00 ATOM 547 CG LYS S 54 18.994 63.60044.794 1.00 0.00 ATOM 548 CD LYS S 54 18.793 62.52243.713 1.00 0.00 ATOM 549 CE LYS S 54 18.314 61.13044.162 1.00 0.00 ATOM 550 NZ LYS S 54 16.869 61.05244.445 1.00 0.00 ATOM 551 H LYS S 54 17.539 66.00345.018 1.00 0.00 ATOM 552 1HZ LYS S 54 16.591 60.09944.730 1.00 0.00 ATOM 553 2HZ LYS S 54 16.534 61.69545.196 1.00 0.00 ATOM 554 3HZ LYS S 54 16.270 61.25843.615 1.00 0.00 ATOM 555 N THR S 55 21.154 68.05445.143 1.00 0.00 ATOM 556 CA THR S 55 21.900 69.10944.435 1.00 0.00 ATOM 557 C THR S 55 23.157 68.59943.719 1.00 0.00 ATOM 558 O THR S 55 24.316 68.84744.086 1.00 0.00 ATOM 559 CB THR S 55 22.158 70.34145.347 1.00 0.00 ATOM 560 OG1 THR S 55 22.798 71.42144.631 1.00 0.00 ATOM 561 CG2 THR S 55 22.921 69.99546.632 1.00 0.00 ATOM 562 H THR S 55 21.237 67.90046.125 1.00 0.00 ATOM 563 HG1 THR S 55 22.301 71.47543.816 1.00 0.00 ATOM 564 N GLY S 56 22.849 67.85442.645 1.00 0.00 ATOM 565 CA GLY S 56 23.861 67.23841.787 1.00 0.00 ATOM 566 C GLY S 56 23.654 65.76141.468 1.00 0.00 ATOM 567 O GLY S 56 23.102 64.98642.238 1.00 0.00 ATOM 568 H GLY S 56 21.885 67.81542.381 1.00 0.00 ATOM 569 N LYS S 57 24.181 65.34240.299 1.00 0.00 ATOM 570 CA LYS S 57 24.323 63.90739.974 1.00 0.00 ATOM 571 C LYS S 57 25.505 63.74139.028 1.00 0.00 ATOM 572 O LYS S 57 25.544 64.57338.140 1.00 0.00 ATOM 573 CB LYS S 57 23.013 63.46339.290 1.00 0.00 ATOM 574 CG LYS S 57 22.955 62.02938.748 1.00 0.00 ATOM 575 CD LYS S 57 21.593 61.60338.192 1.00 0.00 ATOM 576 CE LYS S 57 21.683 60.34937.310 1.00 0.00 ATOM 577 NZ LYS S 57 22.463 60.65036.106 1.00 0.00 ATOM 578 H LYS S 57 24.285 66.05839.594 1.00 0.00 ATOM 579 1HZ LYS S 57 23.284 60.01736.018 1.00 0.00 ATOM 580 2HZ LYS S 57 21.844 60.58135.269 1.00 0.00 ATOM 581 3HZ LYS S 57 22.787 61.64036.153 1.00 0.00 ATOM 582 N LEU S 58 26.418 62.75539.185 1.00 0.00 ATOM 583 CA LEU S 58 27.307 62.45138.044 1.00 0.00 ATOM 584 C LEU S 58 26.672 61.39837.128 1.00 0.00 ATOM 585 O LEU S 58 25.442 61.39737.071 1.00 0.00 ATOM 586 CB LEU S 58 28.728 62.09238.502 1.00 0.00 ATOM 587 CG LEU S 58 29.527 63.21439.175 1.00 0.00 ATOM 588 CD1 LEU S 58 30.911 62.73639.587 1.00 0.00 ATOM 589 CD2 LEU S 58 29.671 64.46738.322 1.00 0.00 ATOM 590 H LEU S 58 26.401 62.13639.972 1.00 0.00 ATOM 591 N ASP S 59 27.456 60.53936.447 1.00 0.00 ATOM 592 CA ASP S 59 27.147 59.60135.341 1.00 0.00 ATOM 593 C ASP S 59 28.002 60.06834.175 1.00 0.00 ATOM 594 O ASP S 59 29.071 60.60634.468 1.00 0.00 ATOM 595 CB ASP S 59 25.672 59.31434.957 1.00 0.00 ATOM 596 CG ASP S 59 25.018 58.28235.881 1.00 0.00 ATOM 597 OD1 ASP S 59 24.241 58.66836.736 1.00 0.00 ATOM 598 OD2 ASP S 59 25.249 57.07735.785 1.00 0.00 ATOM 599 H ASP S 59 28.423 60.61536.663 1.00 0.00 ATOM 600 N ALA S 60 27.614 59.85232.905 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM 601 CA ALA S 60 28.577 60.231 31.869 1.00 0.00 ATOM 602 C ALA S 60 27.935 60.744 30.598 1.00 0.00 ATOM 603 O ALA S 60 27.353 59.98.0 29.824 1.00 0.00 ATOM 604 CB ALA S 60 29.494 59.054 31.518 1.00 0.00 ATOM 605 H ALA S 60 26.689 59.608 -32.606 1.00 0.00 ATOM 606 N PHE S 61 28.085 62.069 30.427 1.00 0.00 ATOM 607 CA- PHE S 61 27.480 62.778 29.295 1.00 0.00 ATOM 608 C PHE S 61 25.986 62.535 29.062 1.00 D.00 ATOM 609 O PHE S 61 25.203 62.789 29.972 1.00 0.00 ATOM 610 CB PHE S 61 28.372 62.704 28.047 1.00 0.00 ATOM 611 CG PHE S 61 28.919 64.084 27.753 1.00 0.00 ATOM 612 CD1 PHE S 61 30.070 64.536 28.434 1.00 0.00 ATOM 613 CD2 PHE S 61 28.272 64.902 26.801 1.00 0.00 ATOM 6I4 CE1 PHE S 61 30.590 65.814 28.149 1.00 0.00 ATOM 615 CE2 PHE S 61 28.788 66.181 26.515 1.00 0.00 ATOM 616 CZ PHE S 61 29.946 66.622 27.189 1.00 0.00 ATOM 617 H PHE S 61 28.680 62.518 31.091 1.00 0.00 ATOM 618 N ILE S 62 25.583 62.066 27.853 1.00 0.00 ATOM 619 CA ILE S 62 24.149 62.070 27.463 1.00 0.00 ATOM 620 C ILE S 62 23.109 61.650 28.516 1.00 0.00 ATOM 621 O ILE S 62 22.069 62.275 28.753 1.00 0.00 ATOM 622 CB ILE S 62 23.988 61.303 26.130 1.00 0.00 ATOM 623 CG1 ILE S 62 22.561 61.336 25.576 1.00 0.00 ATOM 624 CG2 ILE S 62 24.513 59.861 26.222 1.00 0.00 ATOM 625 CDl ILE S 62 22.452 60.748 24.167 1.00 0.00 ATOM 626 H ILE S 62 26.266 61.798 27.175 1.00 0.00 ATOM 627 N TYR S 63 23.518 60.572 29.226 1.00 0.00 ATOM 628 CA TYR S 63 22.726 59.955 30.303 1.00 0.00 ATOM 629 C TYR S 63 22.093 60.894 31.311 1.00 0.00 ATOM 630 O TYR S 63 21.001 60.662 31.837 1.00 0.00 ATOM 631 CB TYR S 63 23.527 58.875 31.044 1.00 0.00 ATOM 632 CG TYR S 63 24.154 57.918 30.058 1.00 0.00 ATOM 633 CD1 TYR S 63 23.350 57.294 29.082 1.00 0.00 ATOM 634 CD2 TYR S 63 25.544 57.702 30.131 1.00 0.00 ATOM 635 CEl TYR S 63 23.967 56.503 28.104 1.00 0.00 ATOM 636 CE2 TYR S 63 26.163 56.909 29.153 1.00 0.00 ATOM 637 CZ TYR S 63 25.367 56.345 28.138 1.00 0.00 ATOM 638 OH TYR S 63 25.970 55.612 27.132 1.00 0.00 ATOM 639 H TYR S 63 24.354 60.141 28.898 1.00 0.00 ATOM 640 HH TYR S 63 25.307 55.485 26.447 1.00 0.00 ATOM 641 N ASP S 64 22.788 62.014 31.540 1.00 0.00 ATOM 642 CA ASP S 64 22.055 63.172 32.047 1.00 0.00 ATOM 643 C ASP S 64 21.959 64.295 31.039 1.00 0.00 ATOM 644 O ASP S 64 20.877 64.736 30.670 1.00 0.00 ATOM 645 CB ASP S 64 22.646 63.766 33.328 1.00 0.00 ATOM 646 CG ASP S 64 22.127 63.143 34.610 1.00 0.00 ATOM 647 OD1 ASP S 64 21.208 62.349 34.584 1.00 0.00 ATOM 648 OD2 ASP S 64 22.634 63.434 35.683 1.00 0.00 ATOM 649 H ASP S 64 23.709 62.099 31.162 1.00 0.00 ATOM 650 N ALA S 65 23.150 64.784 30.648 1.00 0.00 ATOM 651 CA ALA S 65 23.274 66.129 30.071 1.00 0.00 ATOM 652 C ALA S 65 22.147 66.572 29.157 1.00 0.00 ATOM 653 O ALA S 65 21.497 67.608 29.361 1.00 0.00 ATOM 654 CB ALA S 65 24.597 66.257 29.313 1.00 0.00 ATOM 655 H ALA S 65 23.948 64.230 30.879 1.00 0.00 ATOM 656 N ALA S 66 21.973 65.695 28.154 1.00 0.00 ATOM 657 CA ALA S 66 20.917 65.881 27.171 1.00 0.00 ATOM 658 C ALA S 66 19.528 65.478 27.642 1.00 0.00 ATOM 659 O ALA S 66 18.645 66.325 27.773 1.00 0.00 ATOM 660 CB ALA S 66 21.257 65.137 25.877 1.00 0.00 ATOM 661 H ALA S 66 22.446 64.820 28.230 1.00 0.00 ATOM 662 N VAL S 67 19.324 64.175 ?7.868 1.00 0.00 ATOM 663 CA VAL S 67 17.963 63.640 28.041 1.00 0.00 ATOM 664 C VAL S 67 17.238 63.999 29.350 1.00 0.00 ATOM 665 O VAL S 67 16.011 63.968 29.498 1.00 0.00 ATOM 666 CB VAL S 67 18.000 62.110 27.831 1.00 0.00 ATOM 667 CG1 VAL S 67 16.608 61.473 27.759 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 668 CG2 VAL S 67 18.812 61.74426.585 1.00 0.00 ATOM 669 H VAL S 67 20.155 63.62827.954 1.00 0.00 ATOM 670 N LEU S 68 18.059 64.28930.363 1.00 0_.00 ATOM 671 CA LEU S 68 17.502 64.34331.715 1.00 0.00 ATOM 672 C LEU S 68 16.778 65.62 32.168 1.00 0.00 -ATOM 673 O LEU S 68 17.357 66.64132.494 1.00 0.00 ATOM 674 CH- LEU S 68 28.546 63.97132.771 1.00 0.00 ATOM 675 CG LEU S 68 17.926 63.56934.115 1.00 0.00 ATOM 676 CD1 LEU S 68 17.782 62.05434.239 1.00 0.00 ATOM 677 CD2 LEU S 68 18.632 64.21335.311 1.00 0.00 ATOM 678 H LEU S 68 19.036 64.40530.174 1.00 0.00 ATOM 679 N ASN S 69 15.462 65.38032.317 1.00 0.00 ATOM 680 CA ASN S 69 14.682 66.11533.324 1.00 0.00 ATOM 681 C ASN S 69 14.860 67.62433.338 1.00 0.00 ATOM 682 O ASN S 69 15.334 68.26534.281 1.00 0.00 ATOM 683 CB ASN S 69 14.876 65.51734.732 1.00 0.00 ATOM 684 CG ASN S 69 13.834 66.01135.731 1.00 0.00 ATOM 685 OD1 ASN S 69 13.564 67.19935.901 1.00 0.00 ATOM 686 ND2 ASN S 69 13.209 65.03436.392 1.00 0.00 ATOM 687 H ASN S 69 15.146 64.58231.811 1.00 0.00 ATOM 688 1HD2ASN S 69 12.450 65.21237.0/3 1.00 0.00 ATOM 689 2HD2ASN S 69 13.581 64.10836.326 1.00 0.00 ATOM 690 N TYR 5 70 14.378 68.20232.239 1.00 0.00 ATOM 691 CA TYR S 70 14.141 69.63532.371 1.00 0.00 ATOM 692 C TYR S 70 12.721 69.93532.812 1.00 0.00 ATOM 693 O TYR S 70 12.062 70.86432.365 1.00 0.00 ATOM 694 CB TYR S 70 14.584 70.35231.092 1.00 0.00 ATOM 695 CG TYR S 70 16.089 70.22031.019 1.00 0.00 ATOM 696 CDl TYR S 70 16.673 69.23830.189 1.00 0.00 ATOM 697 CD2 TYR S 70 16.867 71.06431.834 1.00 0.00 ATOM 698 CE1 TYR S 70 18.067 69.05030.233 1.00 0.00 ATOM 699 CE2 TYR S 70 18.254 70.87431.876 1.00 0.00 ATOM 700 CZ TYR S 70 18.835 69.85431.100 1.00 0.00 ATOM 701 OH TYR S 70 20.197 69.64331.221 1.00 0.00 ATOM 702 H TYR S 70 14.068 67.63331.477 1.00 0.00 ATOM 703 HH TYR S 70 20.444 68.87030.702 1.00 0.00 ATOM 704 N MET S 71 12.241 69.06033.705 1.00 0.00 ATOM 705 CA MET S 71 10.856 69.12134.148 1.00 0.00 ATOM 706 C MET S 71 10.677 70.14035.251 1.00 0.00 ATOM 707 O MET S 71 9.840 71.03535.182 1.00 0.00 ATOM 708 CB MET S 71 10.379 67.72734.565 1.00 0.00 ATOM 709 CG MET S 71 8.861 67.63134.722 1.00 0.00 ATOM 710 SD MET S 71 8.328 66.00835.290 1.00 0.00 ATOM 711 CE MET S 71 6.563 66.34435.392 1.00 0.00 ATOM 712 H MET S 71 12.832 68.37234.117 1.00 0.00 ATOM 713 N ALA S 72 11.564 70.04136.250 1.00 0.00 ATOM 714 CA ALA S 72 11.576 71.11037.255 1.00 0.00 ATOM 715 C ALA S 72 12.294 72.39336.872 1.00 0.00 ATOM 716 O ALA S 72 13.016 73.00137.667 1.00 0.00 ATOM 717 CB ALA S 72 12.153 70.65038.587 1.00 0.00 ATOM 718 H ALA S 72 12.193 69.26636.226 1.00 0.00 ATOM 719 N GLY S 73 12.027 72.81735.638 1.00 0.00 ATOM 720 CA GLY S 73 12.465 74.14335.240 1.00 0.00 ATOM 721 C GLY S 73 13.332 74.12434.008 1.00 0.00 ATOM 722 0 GLY S 73 13.088 73.41833.034 1.00 0.00 ATOM 723 H GLY S 73 11.478 72.27435.007 1.00 0.00 ATOM 724 N ARG S 74 14.360 74.97434.123 1.00 0.00 ATOM 725 CA ARG S 74 15.378 75.00033.083 1.00 0.00 ATOM 726 C ARG S 74 16.643 74.28333.537 1.00 0.00 ATOM 727 O ARG S 74 17.587 74.12932.781 1.00 0.00 ATOM 728 CB ARG S 74 15.704 76.46032.711 1.00 0.00 ATOM 729 CG ARG S 74 16.665 76.62131.522 1.00 0.00 ATOM 730 CD ARG S 74 17.615 77.81631.652 1.00 0.00 ATOM 731 NE ARG S 74 18.925 77.50031.074 1.00 0.00 ATOM 732 CZ ARG S 74 19.247 77.80329.796 1.00 0.00 ATOM 733 NH1 ARG S 74 20.434 77.44029.332 1.00 0.00 ATOM 734 NH2 ARG S 74 18.386 78.43428.999 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 735 H ARG S 74 14.551 75.395 35.010 1.00 0.00 ATOM 736 HE ARG S 74 19.579 76.970 31.639 1.00 0.00 ATOM 737 1HH1 ARG S 74 20.687 77.543 28.370 1.00 0.00 ATOM 738 2HH1 ARG S 74 21.110 77.038 29.959 1.00 0.00 ATOM 739 1HH2 ARG S 74 18.627 78.668 -28.056 1.00 0.00 ATOM 740 2HH2 ARG S 74 17.483 78.683 29.338 1.00 0.00 ATOM 741 N - ASP S 75 16.667 73.917 34.830 1.00 0.00 ATOM 742 CA ASP S 75 17.996 73.731 35.425 1.00 0.00 ATOM 743 C ASP S 75 18.868 72.543 34.998 1.00 0.00 ATOM 744 O ASP S 75 18.728 71.397 35.452 1.00 0.00 ATOM 745 CB ASP S 75 17.930 73.795 36.949 1.00 0.00 ATOM 746 CG ASP S 75 17.104 74.936 37.506 1.00 0.00 ATOM 747 ODl ASP S 75 17.639 75.989 37.840 1.00 0.00 ATOM 748 OD2 ASP S 75 15.904 74.759 37.654 1.00 0.00 ATOM 749 H ASP S 75 15.904 74.095 35.449 1.00 0.00 ATOM 750 N GLU S 76 19.790 72.922 34.096 1.00 0.00 ATOM 751 CA GLU S 76 20.919 72.104 33.667 1.00 0.00 ATOM 752 C GLU S 76 21.994 71.991 34.732 1.00 0.00 ATOM 753 O GLU S 76 22.141 70.971 35.395 1.00 0.00 ATOM 754 CB GLU S 76 21.541 72.604 32.343 1.00 0.00 ATOM 755 CG GLU S 76 20.833 73.731 31.566 1.00 0.00 ATOM 756 CD GLU S 76 21.155 75.124 32.105 1.00 0.00 ATOM 757 OEl GLU S 76 20.994 75.399 33.288 1.00 0.00 ATOM 758 OE2 GLU S 76 21.553 75.980 31.326 1.00 0.00 ATOM 759 H GLU S 76 19.692 73.855 33.751 1.00 0.00 ATOM 760 I3 GLY S 77 22.752 73.085 34.878 1.00 0.00 ATOM 761 CA GLY S 77 23.709 73.150 35.985 1.00 0.00 ATOM 762 C GLY S 77 24.952 72.335 35.766 1.00 0.00 ATOM 763 O GLY S 77 25.123 71.235 36.279 1.00 0.00 ATOM 764 H GLY S 77 22.522 73.883 34.318 1.00 0.00 ATOM 765 N CYS S 78 25.796 72.913 34.922 1.00 0.00 ATOM 766 CA CYS S 78 27.074 72.263 34.645 1.00 0.00 ATOM 767 C CYS S 78 28.198 73.047 35.301 1.00 0.00 ATOM 768 O CYS S 78 27.910 74.017 36.006 1.00 0.00 ATOM 769 CB CYS S 78 27.254 72.184 33.133 1.00 0.00 ATOM 770 SG CYS S 78 25.766 71.558 32.307 1.00 0.00 ATOM 771 H CYS S 78 25.629 73.849 34.633 1.00 0.00 ATOM 772 N LYS S 79 29.454 72.664 34.976 1.00 0.00 ATOM 773 CA LYS S 79 30.691 73.416 35.270 1.00 0.00 ATOM 774 C LYS S 79 31.413 72.872 36.491 1.00 0.00 ATOM 775 O LYS S 79 31.303 73.321 37.638 1.00 0.00 ATOM 776 CB LYS S 79 30.491 74.948 35.231 1.00 0.00 ATOM 777 CG LYS S 79 31.526 75.894 35.835 1.00 0.00 ATOM 778 CD LYS S 79 30.985 77.325 35.753 1.00 0.00 ATOM 779 CE LYS S 79 31.629 78.290 36.748 1.00 0.00 ATOM 790 NZ LYS S 79 31.324 77.841 38.110 1.00 0.00 ATOM 781 H LYS S 79 29.486 71.697 34.738 1.00 0.00 ATOM 782 1HZ LYS S 79 31.656 76.874 38.257 1.00 0.00 ATOM 783 2HZ LYS S 79 31.752 78.465 38.816 1.00 0.00 ATOM 784 3HZ LYS S 79 30.300 77,804 38.274 1.00 0.00 ATOM 785 N LEU S 80 32.146 71.813 36.109 1.00 0.00 ATOM 786 CA LEU S 80 32.530 70.704 36.971 1.00 0.00 ATOM 787 C LEU S 80 33.643 70.988 37.959 1.00 0.00 ATOM 788 O LEU S 80 34.730 70.432 37.901 1.00 0.00 ATOM 789 CB LEU S 80 32.828 69.531 36.039 1.00 0.00 ATOM 790 CG LEU S 80 32.710 68.132 36.631 1.00 0.00 ATOM 791 CDl LEU S 80 31.386 67.909 37.361 1.00 0.00 ATOM 792 CD2 LEU S 80 32.929 67.095 35.532 1.00 0.00 ATOM 793 H LEU S 80 32.381 71.742 35.139 1.00 0.00 ATOM 794 N VAL S 81 33.263 71.875 38.903 1.00 0.00 ATOM 795 CA VAL S 81 34.214 72.605 39.758 1.00 0.00 ATOM 796 C VAL S 81 35.477 71.875 40.184 1.00 0.00 ATOM 797 O VAL S 81 36.559 72.444 40.204 1.00 0.00 ATOM 798 CB VAL S 81 33.493 73.223 40.977 1.00 0.00 ATOM 799 CGl VAL S 81 34.420 73.921 41.982 1.00 0.00 ATOM 800 CG2 VAL S 81 32.428 74.211 40.516 1.00 0.00 ATOM 801 H VAL S 81 32.301 72.135 38.809 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 802 N THRS 82 35.316 70.602 40.5301.00 0.00 ATOM 803 CA THRS 82 36.520 69.896 40.9631.00 0.00 ATOM 804 C THRS 82 36.522 68.488 40.4301.00 0.00 ATOM 805 O THRS 82 37.449 67.995 39.8021.00 0.00 ATOM 806 CB THRS 82 36.551 69.865 42.4911.00 0.00 ATOM 807 OG1 THRS 82 35.195 69.785 42.9641.00 0.00 ATOM 808 CG~2.THRS 82 37.257 71.072 43.1141.00 0.00 ATOM 809 H THRS 82 34.439 70.147 40.3881.00 0.00 ATOM 810 HG1 THRS 82 35.263 69.861 43.9171.00 0.00 ATOM 811 N ILES B3 35.389 67.857 40.7741.00 0.00 ATOM 812 CA ILES 83 35.343 66.406 40.8201.00 0.00 ATOM 813 C ILES 83 35.730 65.690 39.5391.00 0.00 ATOM 814 O ILES 83 36.363 64.644 39.5631.00 0.00 ATOM 815 CB ILES 83 33.985 65,979 41.3981.00 0.00 ATOM 816 CG1 ILES 83 34.001 64.545 41.9131.00 0.00 ATOM 817 CG2 ILES 83 32.836 66.206 40.4061.00 0.00 ATOM 818 CD1 ILES 83 32.680 64.200 42.5901.00 0.00 ATOM 819 H ILES B3 34.656 68.393 41.1821.00 0.00 ATOM 820 N GLYS 84 35.364 66.293 38.4021.00 0.00 ATOM 821 CA GLYS 84 35.698 65.580 37.1681.00 0.00 ATOM 822 C GLYS 84 37.077 65.861 36.6061.00 0.00 ATOM 823 O GLYS 84 37.524 65.245 35.6431.00 0.00 ATOM 824 H GLYS 84 35.002 67.223 38.4301.00 0.00 ATOM 825 N SERS 85 37.754 66.831 37.2241.00 0.00 ATOM 826 CA SERS 85 39.103 67.088 36.7411.00 0.00 ATOM 827 C SERS 85 40.196 66.206 37.3301.00 0.00 ATOM 828 O SERS 85 41.329 66.159 36.8611.00 0.00 ATOM 829 CB SERS 85 39.373 68.579 36.8481.00 0.00 ATOM 830 OG SERS 85 38.148 69.284 36.5641.00 0.00 ATOM 831 H SERS 85 37.362 67.452 37.9011.00 0.00 ATOM 832 HG SERS 85 37.788 68.927 35.7431.00 0.00 ATOM 833 N GLYS 86 39.782 65.413 38.3241.00 0.00 ATOM 834 CA GLYS 86 40.406 64.098 38.3391.00 0.00 ATOM 835 C GLYS B6 39.816 63.238 37.2311.00 0.00 ATOM 836 O GLYS 86 38.739 62.655 37.3521.00 0.00 ATOM 837 H GLYS 86 38.992 65.624 38.8921.00 0.00 ATOM 838 N LYSS 87 40.556 63.203 36.1131.00 0.00 ATOM 839 CA LYSS 87 40.049 62.410 34.9861.00 0.00 ATOM 840 C LYSS 87 39.928 60.918 35.2461.00 0.00 ATOM 841 O LYSS 87 39.059 60.227 34.7041.00 0.00 ATOM 842 CB LYSS 87 40.889 62.615 33.7141.00 0.00 ATOM 843 CG LYSS 87 40.274 62.033 32.4221.00 0.00 ATOM 844 CD LYSS 87 41.047 60.882 31.7421.00 0.00 ATOM 845 CE LYSS 87 40.996 59.480 32.3841.00 0.00 ATOM 846 NZ LYSS 87 39.639 58.919 32.3581.00 0.00 ATOM 847 H LYSS B7 41.338 63.825 36.0571.00 0.00 ATOM 848 1HZ LYSS 87 39.548 58.068 32.9521.00 0.00 ATOM 849 2HZ LYSS 87 38.923 59.611 32.6401.00 0.00 ATOM 850 3HZ LYSS 87 39.406 58.670 31.3871.00 0.00 ATOM 851 N VALS 88 40.906 60.427 36.0261.00 0.00 ATOM 852 CA VALS 88 41.104 58.975 36.1241.00 0.00 ATOM 853 C VALS 88 40.245 58.362 37.2171.00 0.00 ATOM 854 O VALS 88 40.697 57.902 38.2591.00 0.00 ATOM 855 CB VALS 88 42.593 58.637 36.3161.00 0.00 ATOM 856 CG1 VALS 88 42.867 57.152 36.0501.00 0.00 ATOM 857 CG2 VALS 88 43.492 59.516 35.4421.00 0.00 ATOM 858 H VALS 88 41.394 61.070 36.6231.00 0.00 ATOM 859 N PHES 89 38.947 58.485 36.9601.00 0.00 ATOM 860 CA PHES 89 37.955 58.413 38.0311.00 0.00 ATOM 861 C PHES 89 36.565 58.084 37.5011.00 0.00 ATOM 862 O PHES 89 35.719 57.470 38.1621.00 0.00 ATOM 863 CB PHES 89 37.869 59.768 38.7421.00 0.00 ATOM 864 CG PHES 89 38.953 60.007 39.7661.00 0.00 ATOM 865 CD1 PHES 89 40.123 60.707 39.4001.00 0.00 ATOM 866 CD2 PHES 89 38.764 59.551 41.0871.00 0.00 ATOM 867 CEl PHES 89 41.113 60.969 40.3651.00 0.00 ATOM 868 CE2 PHES 89 39.750 59.820 42.0551.00 0.00 SUBSTITUTE SHEET (RULE 26) r 869 CZ PHE 89 40.913 60.527 41.6881.00 0.00 S

ATOM PHE 89 38.696 58.685 36.0141.00 0.00 S

ATOM 870 H 90 375 58.576 36.2791.00 0.00 ATOM 871 N ALA . 727 35.8511.00 0:00 ATOM 872 CA ALA 90 . . 34.4511.00 0.00 ATOM 873 C ALA 90 . . 34.2201.00 0.00 ATOM 874 O ALA 90 . . 35.9411.00 0.00 ' S 628 200 ATOM 875 CB ALA 90 . . 35.7121.00 0.00 _ S 131 885 ATOM 876 H ALA 90 . . 33.5291.00 0.00 ATOM 877 N SER 91 . . 32.0931.00 0.00 ATOM 878 CA SER 91 . . 31.2941.00 0.00 ATOM 879 C SER 91 . . 31.8561.00 0.00 ATOM 880 O SER 91 . . 31.7321.00 0.00 ATOM 881 CB SER 91 . . 30.6631.00 0.00 ATOM 882 OG SER 91 . . 33.8201.00 0.00 ATOM 883 H SER 91 . . 30.8951.00 0.00 ATOM 884 HG SER 91 . . 29.9541.00 0.00 ATOM 885 N THR 92 . . 29.0641.00 0.00 ATOM 886 CA THR 92 . . 27.7161.00 0.00 ATOM 887 C THR 92 . . 27.4521.00 0.00 ATOM 888 O THR 92 . . 28.8661.00 0.00 ATOM 889 CB THR 92 . . 30.0361.00 0.00 ATOM 890 OG1THR 92 . . 28.5091.00 0.00 ATOM 891 CG2THR 92 . . 29.5601.00 O.DO

ATOM 892 H THR 92 . . 30.0501.00 0.00 ATOM 893 HG1THR 92 . . 26.8381.00 0.00 ATOM 894 N GLY 93 . . 25.4151.00 0.00 ATOM 895 CA GLY 93 . . 24.9431.00 0.00 ATOM 896 C GLY 93 . . 25.7161.00 0.00 ATOM 897 O GLY 93 . . 27.1471.00 0.00 ATOM 898 H GLY 93 . . 23.6791.00 0.00 ATOM 899 N TYR 94 . . 23.2311.00 0.00 ATOM 900 CA TYR 94 . . 22.1121.00 0.00 ATOM 901 C TYR 94 . . 21.5861.00 0.00 ATOM 902 O TYR 94 . . 22.6601.00 0.00 ATOM 903 CB TYR 94 . . 254 1.00 0.00 ATOM 904 CG TYR 94 33.943 . . 00 00 ATOM 905 CDlTYR 94 33.886 58.972 24.578. .
S

906 CD2 94 32.851 58.608 22.3841.00 0.00 TYR
S

ATOM TYR 94 685 59.536 25.0491.00 0.00 ATOM 907 CE1 . 178 22.8391.00 0.00 ATOM 908 CE2TYR 94 . . 24.1761.00 0.00 ATOM 909 CZ TYR 94 . . 24.6211.00 0.00 ATOM 910 OH TYR 94 . . 139 1.00 D.00 ATOM 911 H TYR 94 36.484 . . 00 O.DO

ATOM 912 HH TYR 94 29.962 60.600 . .
S

N GLY 95 37.465 56.402 21.6721.00 0.00 S

ATOM 913 95 841 56.165 20.2711.00 0.00 ATOM 914 CA GLY . 798 19.9911.00 0.00 ATOM 915 C GLY 95 . . 20.9061.00 0.00 ATOM 916 O GLY 95 . . 22.2281.00 0.00 ATOM 917 H GLY 95 . . 18.7241.00 0.00 ATOM 918 N ILE 96 . . 18.1881.00 0.00 ATOM 919 CA ILE 96 . . 18.6201.00 0.00 ATOM 920 C ILE 96 . . 18.5021.00 0.00 ATOM 921 O ILE 96 . . 16.6511.00 0.00 ATOM 922 CB ILE 96 . . 15.9011.00 0.00 ATOM 923 CG 1 ILE 96 . . 16.2301.00 O.DO

ATOM 924 CG 2 ILE 96 . . 15.5191.00 0.00 ATOM 925 CD 1 ILE 96 . . 18.1431.00 0.00 ATOM 926 H ILE 96 . . 19.1071.00 0.00 ATOM 927 N ALA 97 . . 499 1.00 0.00 ATOM 928 CA 97 42.791 . . 00 0.00 ATOM 929 C ALA 97 42.748 52.110 . . 00 930 O ALA 97 41.833 51.938 21.297. .
S

ATOM B 97 43.670 54.390 20.0061.00 0.00 ALA
S

ATOM 931 C 97 172 54.656 19.2271.00 0.00 ATOM 932 H ALA 98 . 51.210 20.2761.00 0.00 ATOM 933 . 49.845 20.7251.00 0.00 S

ATOM 934 ILE . 310 1.00 CA S 463 21.688 0.00 ATOM 935 C ILE 98 . .
S

SUBSTITUTE SHEET (RULE 26) ATOM 936 O ILES 98 45.672 49.486 21.5191.00 0.00 ATOM 937 CB ILES 98 43.323 48.844 19.5681.00 0.00 ATOM 938 CGl ILES 98 44.277 49.065 18.3851.00 0.00 ATOM 939 CG2 ILES 98 41.870 48.755 19.1221.00 0-.00 ATOM 940 CD1 ILES 98 43.820 50.105 _17.3521.00 0.00 ATOM 941 H ILES 98 44.496 51.476 19.7191.00 0.00 ATOM 942 N GLNS 99 43.900 48.594 22.6701.00 0.00 -_ ATOM 943 CA GLNS 99 44.708 47.780 23.5771.00 0.00 ATOM 944 C GLNS 99 45915 48.502 24.1751.00 0.00 ATOM 945 O GLNS 99 45.815 49.664 24.5561.00 0.00 ATOM 946 CB GLNS 99 45.073 46.479 22.8681.00 0.00 ATOM 947 CG GLNS 99 43.911 45.741 22.2101.00 0.00 ATOM 948 CD GLNS 99 44.491 44.457 21.6901.00 0.00 ATOM 949 OE1 GLNS 99 44.690 44.258 20.4931.00 0.00 ATOM 950 NE2 GLNS 99 44.860 43.629 22.6701.00 0.00 ATOM 951 H GLNS 99 42.900 48.570 22.6641.00 0.00 ATOM 952 1HE2GLNS 99 45.332 42.757 22.5711.00 0.00 ATOM 953 2HE2GLPIS 99 44.692 43.952 23.6031.00 0.00 ATOM 954 N LYSS 100 47.060 47.811 24.1901.00 0.00 ATOM 955 CA LYSS 100 48.340 48.507 24.2671.00 0.00 ATOM 956 C LYSS 100 49.201 48.097 23.0681.00 0.00 ATOM 957 O LYSS 100 50.416 47.959 23.1281.00 0.00 ATOM 958 CB LYSS 100 48.992 48.198 25.6211.00 0.00 ATOM 959 CG LYSS 100 49.863 49.311 26.2241.00 0.00 ATOM 960 CD LYSS 100 49.107 50.555 26.7201.00 0.00 ATOM 961 CE LYSS 100 48.076 50.270 27.8231.00 0.00 ATOM 962 NZ LYSS 100 47.492 51.508 28.3551.00 0.00 ATOM 963 H LYSS 100 47.076 46.819 24.0841.00 0.00 ATOM 964 1HZ LYSS 100 46.789 51.304 29.0891.00 0.00 ATOM 965 2HZ LYSS 100 47.066 52.118 27.6371.00 0.00 ATOM 966 3HZ LYSS 100 48.200 52.042 28.8971.00 0.00 ATOM 967 N ASPS 101 48.457 47.835 21.9631.00 0.00 ATOM 968 CA ASPS 101 48.959 46.952 20.8961.00 0.00 ATOM 969 C ASPS 101 50.017 47.491 19.9411.00 0.00 ATOM 970 O ASPS 101 50.317 48.679 19.9041.00 0.00 ATOM 971 CB ASPS 101 47.776 46.387 20.1001.00 0.00 ATOM 972 CG ASPS 101 47.999 44.911 19.8311.00 0.00 ATOM 973 OD1 ASPS 101 48.389 44.540 18.7291.00 0.00 ATOM 974 OD2 ASPS 101 47.782 44.111 20.7311.00 0.00 ATOM 975 H ASPS 101 47.491 48.095 21.9531.00 0.00 ATOM 976 N SERS 102 50.571 46.560 19.1471.00 0.00 ATOM 977 CA SERS 102 51.574 46.936 18.1441.00 0.00 ATOM 978 C SERS 102 51.303 46.460 16.7141.00 0.00 ATOM 979 O SERS 102 52.129 46.591 15.8001.00 0.00 ATOM 980 CB SERS 102 52.964 46.486 18.5981.00 0.00 ATOM 981 OG SERS 102 53.362 47.153 19.8131.00 0.00 ATOM 982 H SERS 102 50.284 45.604 19.2491.00 0.00 ATOM 983 HG SERS 102 52.603 47.676 20.0841.00 0.00 ATOM 984 N GLYS 103 50.093 45.892 16.5511.00 0.00 ATOM 985 CA GLYS 103 49.648 45.634 15.1841.00 0.00 ATOM 986 C GLYS 103 49.051 46.858 14.5171.00 0.00 ATOM 987 O GLYS 103 49.553 47.356 13.4961.00 0.00 ATOM 988 H GLYS 103 49.531 45.620 17.3321.00 0.00 ATOM 989 N TRPS 104 47.952 47.280 15.1671.00 0.00 ATOM 990 CA TRPS 104 47.125 48.393 14.6871.00 0.00 ATOM 991 C TRPS 104 47.502 49.709 15.3691.00 0.00 ATOM 992 O TRPS 104 47.716 50.766 14.7761.00 0.00 ATOM 993 CB TRPS 104 45.666 47.989 14.9571.00 0.00 ATOM 994 CG TRPS 104 44.623 48.376 13.9191.00 0.00 ATOM 995 CD1 TRPS 104 43.246 48.498 14.1811.00 0.00 ATOM 996 CD2 TRPS 104 44.744 48.613 12.4941.00 0.00 ATOM 997 NE1 TRPS 104 42.533 48.780 13.0571.00 0.00 ATOM 998 CE2 TRPS 104 43.419 48.859 11.9911.00 0.00 ATOM 999 CE3 TRPS 104 45.835 48.620 11.5981.00 0.00 ATOM 1000 CZ2 TRPS 104 43.218 49.108 10.6161.00 0.00 ATOM 1001 CZ3 TRPS 104 45.621 48.864 10.2261.00 0.00 ATOM 1002 CH2 TRPS 104 44.320 49.109 9.737 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1003 H TRP 104 47.668 46.707 15.9341.00 0.00 S

ATOM 1004 HElTRP 104 41.554 48.899 12.9811.00 0.00 S

ATOM 1005 N LYS 105 47.638 49.597 16.7171.00 0_.00 S

ATOM 1006 CA LYS 105 47.976 50.818 17.4591.00 0.00 S

ATOM 1007 C LYS 105 49.259 51:497 16.9931.00 0.00 S -ATOM 1008 O LYS 105 49.341 52.716 16.8961.00 0.00 S

ATOM 1009 CH LYS 105 47.971 50.631 18.9901.00 0.00 - S

ATOM 1010 CG LYS 105 47.254 51.783 19.7201.00 0.00 S

ATOM 1011 CD LYS 105 47.955 52.379 20.9561.00 0.00 S

ATOM 1012 CE LYS I05 48.075 51.540 22.2431.00 0.00 S

ATOM 1013 NZ LYS 105 46.807 51.410 22.9721.00 0.00 S

ATOM 1014 H LYS 105 47.383 48.741 17.1661.00 0.00 S

ATOM 1015 LYS 105 46.200 52.250 22.9461.00 0.00 ATOM 1016 LYS 105 46.985 51.264 23.9851.00 0.00 ATOM 1017 LYS 105 46.245 50.584 22.7031.00 0.00 ATOM 1018 N ARG 106 50.261 50.671 16.6481.00 0.00 S

ATOM 1019 CA ARG 106 51.404 51.262 15.9431.00 0.00 S

ATOM 1020 C ARG 106 51.192 51.458 14.4341.00 0.00 S

ATOM 1021 O ARG 106 51.752 50.778 13.5691.00 0.00 S

ATOM 1022 CB ARG 106 52.674 50.472 16.2611.00 0.00 S

ATOM 1023 CG ARG 106 53.006 50.343 17.7581.00 0.00 S

ATOM 1024 CD ARG 106 53.783 51.492 18.4211.00 0.00 S

ATOM 1025 NE ARG 106 52.971 52.649 18.8061.00 0.00 S

ATOM 1026 CZ ARG 106 53.125 53.225 20.0291.00 0.00 S

ATOM 1027 NH1ARG 106 52.463 54.337 20.3171.00 0.00 S

ATOM 1028 NH2ARG 106 53.932 52.698 20.9511.00 0.00 S

ATOM 1029 H ARG 106 50.121 49.684 16.6921.00 0.00 S

ATOM 1030 HE ARG 106 52.358 53.098 18.1441.00 0.00 S

ATOM 1031 1HH1ARG 106 52.502 54.793 21.2001.00 0.00 S

ATOM 1032 2HH1ARG 106 51.906 54.799 19.6031.00 0.00 S

ATOM 1033 1HH2ARG 106 54.069 53.164 21.8251.00 0.00 S

ATOM 1034 2HH2ARG 106 54.414 51.840 20.7921.00 0.00 S

ATOM 1035 N GLN 107 50.344 52.470 14.2041.00 0.00 S

ATOM 1036 CA GLN 107 49.863 53.021 12.9321.00 0.00 S

ATOM 1037 C GLN 107 48.911 54.152 13.2981.00 0.00 S

ATOM 1038 O GLN 107 48.974 55.295 12.8331.00 0.00 S

ATOM 1039 CB GLN 107 49.111 51.994 12.0671.00 0.00 S

ATOM 1040 CG GLN 107 48.685 52.536 10.6921.00 0.00 S

ATOM 1041 CD GLN 107 47.396 51.865 10.2571.00 0.00 S

ATOM 1042 OE1GLN 107 46.416 51.845 10.9891.00 0.00 S

ATOM 1043 NE2GLN 107 47.434 51.294 9.054 1.00 0.00 S

ATOM 1044 H GLN 107 50.093 52.968 15.0351.00 0.00 S

ATOM 1045 1HE2GLN 107 46.668 50.743 8.730 1.00 0.00 S

ATOM 1046 2HE2GLN 107 48.231 51.392 8.461 1.00 0.00 S

ATOM 1047 N VAL 108 48.034 53.764 14.2381.00 0.00 S

ATOM 1048 CA VAL 108 47.092 54.702 14.8431.00 0.00 S

ATOM 1049 C VAL 108 47.704 55.952 15.4721.00 0.00 S

ATOM 1050 O VAL 108 47.102 57.025 15.4081.00 0.00 S

ATOM 1051 CB VAL 108 46.132 53.964 15.7981.00 0.00 S

ATOM 1052 CG1 108 45.127 54.884 16.4981.00 0.00 VAL
S

ATOM 1053 CG2 108 45.374 52.882 15.0251.00 0.00 VAL
S

ATOM 1054 H VAL 108 47.968 52.778 14.4011.00 0.00 S

ATOM 1055 N ASP 109 48.925 55.834 16.0251.00 0.00 S

ATOM 1056 CA ASP 109 49.694 57.029 16.4261.00 0.00 S

ATOM 1057 C ASP 109 49.580 58.213 15.4731.00 0.00 S

ATOM 1058 O ASP 49.420 59.378 15.8211.00 0.00 S

ATOM 1059 CB ASP 51.183 56.698 16.5381.00 0.00 S

ATOM 1060 CG ASP 51.480 55.902 17.7851.00 0.00 S

ATOM 1061 ODl 51.953 56.480 18.7551.00 0.00 ASP
S

ATOM 1062 OD2 51.261 54.695 17.7991.00 0.00 ASP
S

ATOM 1063 H ASP 49.293 54.915 16.1771.00 0.00 S

ATOM 1064 N LEU 49.678 57.839 14.1881.00 0.00 S

ATOM 1065 CA LEU 49.443 58.873 13.1851.00 0.00 S

ATOM 1066 C LEU 47.995 59.353 13.1651.00 0.00 S

ATOM 1067 O LEU 47.692 60.520 13.4061.00 0.00 S

ATOM 1068 CB LEU 49.922 58.371 11.8191.00 0.00 S

ATOM 1069 CG LEU 50.131 59.472 10.7791.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 1070 CD1 LEUS 110 51.175 60.49911.224 1.00 0.00 ATOM 1071 CD2 LEUS 110 50.446 58.8929.400 1.00 0.00 ATOM 1072 H LEUS 110 49.695 56.85813.980 1. 0.00 ATOM 1073 N ALAS 111 47.106 58.37612.892 1.00 0.00 ATOM 1074 CA ALAS 111 45.657 58.6D712.780 1.00 0.00 ATOM 1075 C ALAS 111 44.990 59.65313.669 1.00 0.00 ATOM 1076 O ALAS 111 44.345 60.56813.171 1.00 0.00 ~-ATOM 1077 CB ALAS 111 44.892 57.29012.920 1.00 0.00 ATOM 1078 H ALAS 111 47.472 57.47912.653 1.00 0.00 ATOM 1079 N ILES 112 45.164 59.52014.994 1.00 0.00 ATOM 1080 CA ILES 112 44.490 60.47215.892 1.00 0.00 ATOM 1081 C ILES 112 44.690 61.95915.548 1.00 0.00 ATOM 1082 O ILES 112 43.781 62.77315.394 1.00 0.00 ATOM 1083 CB ILES 112 44.836 60.11017.355 1.00 0.00 ATOM 1084 CG1 ILES 112 44.206 61.05118.385 1.00 0.00 ATOM 1085 CG2 ILES lI2 46.352 59.98017.582 1.00 0.00 ATOM 1086 CD1 ILES 112 44.343 60.52019.814 1.00 0.00 ATOM 1087 H ILES 112 45.642 58.69915.305 1.00 0.00 ATOM 1088 N LEUS 113 45.981 62.27315.352 1.00 0.00 ATOM 1D89 CA LEUS 113 46.331 63.63414.942 1.00 0.00 ATOM 1090 C LEUS 113 46.027 63.88713.473 1.00 0.00 ATOM 1091 O LEUS 113 45.802 64.99713.007 1.00 0.00 ATOM 1092 CB LEUS 113 47.806 63.89115.264 1.00 0.00 ATOM 1093 CG LEUS 113 48.242 65.35515.141 1.00 0.00 ATOM 1094 CD1 LEUS 113 47.464 66.27116.089 1.00 0.00 ATOM 1095 CD2 LEUS 113 49.754 65.50715.310 1.00 0.00 ATOM 1096 H LEUS 113 46.647 61.52615.356 1.00 0.00 ATOM 1097 N GLNS 114 46.017 62.76412.740 1.00 0.00 ATOM 1098 CA GLNS 114 45.555 62.85211.360 1.00 0.00 ATOM 1099 C GLNS 114 44.055 62.98111.184 1.00 0.00 ATOM 1100 O GLNS 114 43.565 62.94910.060 1.00 0.00 ATOM 1101 CB GLNS 114 46.038 61.65610.538 1.00 0.00 ATOM 1102 CG GLNS 114 47.470 61.77210.022 1.00 0.00 ATOM 1103 CD GLN$ 114 47.546 62.7028.826 1.00 0.00 ATOM 1104 OE1 GINS 114 46.591 63.3408.393 1.00 0.00 ATOM 1105 NE2 GLNS 114 48.760 62.7738.269 1.00 0.00 ATOM 1106 H GLNS 114 46.132 6I.8~513.138 1.00 0.00 ATOM 1107 1HE2GLNS 114 48.948 63.3987.516 1.00 0.00 ATOM 1108 2HE2GLNS 114 49.467 62.1768.649 1.00 0.00 ATOM 1109 N LEUS 115 43.294 63.15912.284 1.00 0.00 ATOM 1110 CA LEUS 115 41.865 63.44912.104 1.00 0.00 ATOM 1111 C LEUS 115 41.659 64.69711.254 1.00 0.00 ATOM 1112 O LEUS 115 41.399 64.60710.051 1.00 0.00 ATOM 1113 CB LEUS 115 41.151 63.50313.460 1.00 0.00 ATOM 1114 CG LEUS 115 40.301 62.26313.774 1.00 0.00 ATOM 1115 CD1 LEUS 115 41.090 60.95313.724 1.00 0.00 ATOM 1116 CD2 LEUS 115 39.568 62.41815.106 1.00 0.00 ATOM 1117 H LEUS 115 43.699 62.99613.184 1.00 0.00 ATOM 1118 N PHES 116 41.949 65.85011.887 1.00 0.00 ATOM 1119 CA PHES 116 42.256 67.D3011.072 1.00 0.00 ATOM 1120 C PHES 116 43.417 66.73910.138 1.00 0.00 ATOM 1121 O PHES 116 44.210 65.83510.389 1.00 0.00 ATOM 1122 CB PHES 116 42.612 68.23411.950 1.OO 0.00 ATOM 1123 CG PHES 116 41.426 68.71312.755 1.00 0.00 ATOM 1124 CD1 PHES 116 41.358 68.41114.133 1.00 0.00 ATOM 1125 CD2 PHES 116 40.412 69.46512.121 1.00 0.00 ATOM 1126 CE1 PHES 116 40.261 68.86814.889 1.00 0.00 ATOM 1127 CE2 PHES 116 39.314 69.92312.876 1.00 0.00 ATOM 1128 CZ PHES 116 39.250 69.62014.253 1.00 0.00 ATOM 1129 H PHES 116 41.978 65.87812.883 1.00 0.00 ATOM 1130 N GLYS 117 43.469 67.5189.055 1.00 0.00 ATOM 1131 CA GLYS 117 44.564 67.2568.133 1.00 0.00 ATOM 1132 C GLYS 117 44.148 67.0616.689 1.00 0.00 ATOM 1133 O GLYS 117 44.975 67.1695.783 1.00 0.00 ATOM 1134 H GLYS 117 42.793 68.2348.900 1.00 0.00 ATOM 1135 N ASPS 118 42.849 66.7756.503 1.00 0.00 ATOM 1136 CA ASPS 118 42.378 66.5025.142 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1137 C ASP 118 41.245 67.378 4.630 1.00 0.00 S

ATOM 1138 O ASP 118 41.159 67.699 3.446 1.00 0.00 S

ATOM 1139 CB ASP 118 42.054 65.007 4.959 1.00 0.00 S

ATOM 1140 CG ASP 118 40.852 64.504 5.760 1.00 0.00 S

ATOM 1141 OD1 ASP 118 40.196 63.578 5.311 1.00 0.00 S -ATOM 1142 OD2 ASP 118 40.571 64.975 6.857 1.00 0.00 S

ATOM 1143 H ASP 118 42.250 66.696 7.296 1.00 0.00 -- S

ATOM 1144 N GLY 119 40.392 67.760 5.588 1.00 0.00 S

ATOM 1145 CA GLY 119 39-.146 68.433 5.235 1.00 0.00 S

ATOM 1146 C GLY 119 37.994 67.567 5.699 1.00 0.00 S

ATOM 1147 O GLY 119 38.109 66.346 5.730 1.00 0.00 S

ATOM 1148 H GLY 119 40.511 67.416 6.516 1.00 0.00 S

ATOM 1149 N GLU 120 36.897 68.227 6.096 1.00 0.00 S

ATOM 1150 CA GLU 120 35.812 67.552 6.828 1.00 0.00 S

ATOM 1151 C GLU 120 36.212 66.816 8.101 1.00 0.00 S

ATOM 1152 O GLU 120 36.528 65.617 8.145 1.00 0.00 S

ATOM 1153 CB GLU 120 34.898 66.689 5.932 1.00 0.00 S

ATOM 1154 CG GLU 120 33.740 66.075 6.740 1.00 0.00 S

ATOM 1155 CD GLU 120 32.630 65.549 5.858 1.00 0.00 S

ATOM 1156 OEl GLU 120 32.671 64.406 5.411 1.00 0.00 S

ATOM 1157 OE2 GLU 120 31.667 66.272 5.647 1.00 0.00 S

ATOM 1158 H GLU 120 36.924 69.220 6.012 1.00 0.00 S

ATOM 1159 N MET 121 36.152 67.604 9.176 1.00 0.00 S

ATOM 1160 CA MET 121 35.877 66.980 10.4651.00 0.00 S

ATOM 1161 C MET 121 34.520 67.469 10.9141.00 0.00 S

ATOM 1162 O MET 121 33.773 68.004 10.0991.00 0.00 S

ATOM 1163 CB MET 121 36.966 67.275 11.4901.00 0.00 S

ATOM 1164 CG MET 121 38.083 66.240 11.4011.00 0.00 S

ATOM 1165 SD MET 121 39.087 66.227 12.8891.00 0.00 S

ATOM 1166 CE MET 121 37.793 65.770 14.0531.00 0.00 S

ATOM 1167 H MET 121 35.972 68.583 9.065 1.00 0.00 S

ATOM 1168 N GLU 122 34.200 67.255 12.1981.00 0.00 S

ATOM 1169 CA GLU 122 33.031 67.868 12.8381.00 0.00 S

ATOM 1170 C GLU 122 31.650 67.366 12.4331.00 0.00 S

ATOM 1171 O GLU 122 30.779 67.227 13.2771.00 0.00 S

ATOM 1172 CB GLU 122 33.147 69.399 12.8681.00 0.00 S

ATOM 1173 CG GLU 122 34.276 69.818 13.8201.00 0.00 S

ATOM 1174 CD GLU 122 34.660 71.277 13.6461.00 0.00 S

ATOM 1175 OE1 GLU 122 35.846 71.548 13.4841.00 0.00 S

ATOM 1176 OE2 GLU 122 33.791 72.147 13.6681.00 0.00 S

ATOM 1177 H GLU 122 34.826 66.716 12.7641.00 0.00 S

ATOM 1178 N GLU 123 31.448 66.997 11.1451.00 0.00 S

ATOM 1179 CA GLU 123 30.161 66.346 10.8111.00 0.00 S

ATOM 1180 C GLU 123 29.875 65.117 11.6561.00 0.00 S

ATOM 1181 O GLU 123 28.766 64.847 12.1131.00 0.00 S

ATOM 1182 CB GLU 123 30.046 65.907 9.333 1.00 0.00 ATOM 1183 CG GLU 123 28.596 65.538 8.927 1.00 0.00 S

ATOM 1184 CD GLU 123 28.426 64.162 8.262 1.00 0.00 S

ATOM 1185 OE1 123 27.388 63.913 7.647 1.00 0.00 GLU
S

ATOM 1186 OE2 123 29.312 63.311 8.312 1.00 0.00 GLU
S

ATOM 1187 H GLU 123 32.130 67.214 10.4491.00 0.00 S

ATOM 1188 N LEU 124 30.965 64.353 11.8041.00 0.00 S

ATOM 1189 CA LEU 124 30.872 63.071 12.4971.00 0.00 S

ATOM 1190 C LEU 124 30.817 63.249 14.0041.00 0.00 S

ATOM 1191 O LEU 124 30.121 62.565 14.7471.00 0.00 S

ATOM 1192 CB LEU 124 32.068 62.183 12.1371.00 0.00 S

ATOM 1193 CG LEU 124 32.648 62.336 10.7221.00 0.00 S

ATOM 1194 CD1 34.074 61.795 10.6501.00 0.00 LEU
S

ATOM 1195 CD2 31.766 61.732 9.631 1.00 0.00 LEU
S

ATOM 1196 H LEU 31.849 64.676 11.4731.00 0.00 S

ATOM 1197 N GLU 31.605 64.233 14.4491.00 0.00 S

ATOM 1198 CA GLU 31.795 64.397 15.8841.00 0.00 S

ATOM 1199 C GLU 30.717 65.224 16.5921.00 0.00 S

ATOM 1200 O GLU 30.331 64.973 17.7301.00 0.00 S

ATOM 1201 CB GLU 33.221 64.920 16.1201.00 0.00 S

ATOM 1202 CG GLU 34.376 63.963 15.7281.00 0.00 S

ATOM 1203 CD GLU 34.526 63.709 14.2261.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 1204 OElGLU S125 34.298 64.60113.422 1.00 0.00 ATOM 1205 OE2GLU S125 34.873 62.60513.828 1.00 0.00 ATOM 1206 H GLU S125 32.164 64.73113.783 1.00 0.00 ATOM 1207 N ALA S126 30.229 66.23515.872 1.00 0.00 ATOM 1208 CA ALA S126 29.213 67:08416.485 1.00 0.00 ATOM 1209 C ALA S126 27.818 66.48616.529 1.00 0.00 ATOM 1210 O ALA S126 27.037 66.75117.444 1.00 0.00 ~-ATOM 1211 CB ALA S126 29.144 68.44615.792 1.00 0.00 ATOM 1212 H ALA S126 30-.546 66.39914.942 1.00 0.00 ATOM 1213 N LEU S127 27.516 65.65515.521 1.00 0.00 ATOM 1214 CA LEU S127 26.113 65.23815.416 1.00 0.00 ATOM 1215 C LEU S127 25.641 64.09816.309 1.00 0.00 ATOM 1216 O LEU S127 24.553 63.53816.155 1.00 0.00 ATOM 1217 CH LEU S127 25.703 64.98513.962 1.00 0.00 ATOM 1218 CG LEU S127 25.273 66.25213.209 1.00 0.00 ATOM 1219 CD1LEU S127 26.445 67.14212.785 1.00 0.00 ATOM 1220 CD2LEU S127 24.366 65.91612.025 1.00 0.00 ATOM 1221 H LEU S127 28.245 65.34514.913 1.00 0.00 ATOM 1222 N TRP S128 26.499 63.74317.279 1.00 0.00 ATOM 1223 CA TRP S128 26.044 62.94518.425 1.00 0.00 ATOM 1224 C TRP S128 25.475 63.75419.594 1.00 0.00 ATOM 1225 O TRP S128 24.333 63.61220.034 1.00 0.00 ATOM 1226 CB TRP S128 27.189 62.05018.920 1.00 0.00 ATOM 1227 CG TRP S128 26.680 60.73719.476 1.00 0.00 ATOM 1228 CD1TRP S128 25.812 59.85618.824 1.00 0.00 ATOM 1229 CD2TRP S128 26.992 60.08820.732 1.00 0.00 ATOM 1230 NE1TRP S128 25.576 58.74319.558 1.00 0.00 ATOM 1231 CE2TRP S128 26.280 58.83820.750 1.00 0.00 ATOM 1232 CE3TRP S128 27.802 60.43921.831 1.00 0.00 ATOM 1233 CZ2TRP S128 26.389 57.97421.860 1.00 0.00 ATOM 1234 CZ3TRP S128 27.903 59.56622.935 1.00 0.00 ATOM 1235 CH2TRP S128 27.201 58.34222.952 1.00 0.00 ATOM 1236 H TRP S128 27.441 64.07517.221 1.00 0.00 ATOM 1237 HE1TRP S128 25.019 58.00119.222 1.00 0.00 ATOM 1238 N LEU S129 26.339 64.62520.146 1.00 0.00 ATOM 1239 CA LEU S129 25.974 65.19521.449 1.00 0.00 ATOM 1240 C LEU S129 26.073 66.69621.620 1.00 0.00 ATOM 1241 O LEU S129 25.309 67.30822.363 1.00 0.00 ATOM 1242 CB LEU S129 26.772 64.52422.563 1.00 0.00 ATOM 1243 CG LEU S129 25.939 63.68823.529 1.00 0.00 ATOM 1244 CD1LEU S129 26.842 62.79024.370 1.00 0.00 ATOM 1245 CD2LEU S129 25.015 64.54724.394 1.00 0.00 ATOM 1246 H LEU S129 27.243 64.72619.723 1.00 0.00 ATOM 1247 N THR S130 27.064 67.26820.917 1.00 0.00 ATOM 1248 CA THR S130 27.492 68.64021.224 1.00 0.00 ATOM 1249 C THR S130 28.073 68.78722.649 1.00 0.00 ATOM 1250 O THR S130 27.777 68.01623.563 1.00 0.00 ATOM 1251 CB THR S130 26.370 69.66920.917 1.00 0.00 ATOM 1252 OG1THR S130 25.415 69.16619.955 1.00 0.00 ATOM 1253 CG2THR S130 26.943 71.00920.447 1.00 0.00 ATOM 1254 H THR S130 27.560 66.69820.262 1.00 0.00 ATOM 1255 HG1THR S130 25.891 68.57219.374 1.00 0.00 ATOM 1256 N GLY S131 28.970 69.76822.821 1.00 0.00 ATOM 1257 CA GLY S131 29.616 69.85824.130 1.00 0.00 ATOM 1258 C GLY S131 28.848 70.70425.130 1.00 0.00 ATOM 1259 O GLY S131 28.282 71.74324.793 1.00 0.00 ATOM 1260 H GLY S131 29.091 70.46422.117 1.00 0.00 ATOM 1261 N ILE S132 28.852 70.23026.391 1.00 0.00 ATOM 1262 CA ILE S132 28.154 70.97327.454 1.00 0.00 ATOM 1263 C ILE S132 28.816 70.91628.842 1.00 0.00 ATOM 1264 O ILE S132 28.885 71.90629.591 1.00 0.00 ATOM 1265 CS ILE S132 26.660 70.57027.480 1.00 0.00 ATOM 1266 CG1ILE S132 25.848 71.32028.544 1.00 0.00 ATOM 1267 CG2ILE S132 26.495 69.05027.621 1.00 0.00 ATOM 1268 CD1ILE S132 24.357 70.97328.534 1.00 0.00 ATOM 1269 H ILE S132 29.188 69.30326.552 1.00 0.00 ATOM 1270 N CYS S133 29.328 69.70129.123 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1271 CA CYS S 133 29.945 69.421 30.4151.00 0.00 ATOM 1272 C CYS S 133 31.338 68.864 30.2601.00 0.00 ATOM 1273 O CYS S 133 31.593 67.675 30.4221.00 0,00 ATOM 1274 CB CYS S 133 29.086 68.449 31.2271.00 0.00 ATOM 1275 SG CYS S 133 27.434 69.123 31.5461.00 0.00 ATOM 1276 H CYS S 133 29.185 68.951 28.4771.00 0.00 ATOM 1277 _ HIS S 134 32.242 69.787 29.9021.00 0.00 N
-ATOM 1278 CA HIS S 134 33.629 69.332 29.8671.00 0.00 ATOM 1279 C HIS S 134 34.344 69.363 31.2181.00 0.00 ATOM 1280 0 HIS S 134 33.816 69.844 32.2261.00 0.00 ATOM 1281 CB HIS S 134 34.414 69.995 28.7111.00 0.00 ATOM 1282 CG HIS S 134 34.398 69.097 27.4811.00 0.00 ATOM 1283 ND1HIS S 134 34.896 69.425 26.2621.00 0.00 ATOM 1284 CD2HIS S 134 33.881 67.800 27.3961.00 0.00 ATOM 1285 CElHIS S 134 34.692 68.357 25.4211.00 0.00 ATOM 1286 NE2HIS S 134 34.069 67.356 26.1291.00 0.00 ATOM 1287 H HIS S 134 31.958 70.744 29.9451.00 0.00 ATOM 1288 HD1HIS S 134 35.327 70.265 25.9861.00 0.00 ATOM 1289 N ASN S 135 35.547 68.766 31.1241.00 0.00 ATOM 1290 CA ASN S 135 36.329 68.169 32.2091.00 0.00 ATOM 1291 C ASN S 135 36.632 69.030 33.4351.00 0.00 ATOM 1292 O ASN S 135 35.783 69.152 34.3181.00 0.00 ATOM 1293 CB ASN S 135 37.603 67.588 31.5691.00 0.00 ATOM 1294 CG ASN S 135 38.202 66.477 32.4071.00 0.00 ATOM 1295 OD1ASN S 135 37.992 65.292 32.1431.00 0.00 ATOM 1296 ND2ASN S 135 38.960 66.901 33.4141.00 0.00 ATOM 1297 OXTASN S 135 37.738 69.557 33.5211.00 0.00 ATOM 1298 H ASN S 135 35.805 68.433 30.2201.00 0.00 ATOM 1299 1HD2ASN S 135 39.441 66.278 34.0241.00 0.00 ATOM 1300 2HD2ASN S 135 39.039 67.886 33.5471.00 0.00 ATOM 1301 N ASP S 1 49.744 46.793 10.8201.00 0.00 ATOM 1302 CA ASP S 1 48.635 46.352 9.972 1.00 0.00 ATOM 1303 C ASP S 1 47.639 45.810 10.9631.00 0.00 ATOM 1304 0 ASP S 1 47.716 46.309 12.0781.00 0.00 ATOM 1305 CB ASP S 1 49.130 45.338 8.934 1.00 0.00 ATOM 1306 CG ASP S 1 48.054 45.176 7.883 1.00 0.00 ATOM 1307 OD1ASP S 1 47.751 44.061 7.486 1.00 0.00 ATOM 1308 OD2ASP S 1 47.468 46.171 7.490 1.00 0.00 ATOM 1309 1H ASP S 1 50.299 45.956 11.0621.00 0.00 ATOM 1310 2H ASP S 1 49.324 47.136 11.7151.00 0.00 ATOM 1311 3H ASP S 1 50.318 47.517 10.3571.00 0.00 ATOM 1312 N ASP S 2 46.820 44.813 10.6041.00 0.00 ATOM 1313 CA ASP S 2 46.003 44.088 11.5791.00 0.00 ATOM 1314 C ASP S 2 45.233 43.023 10.8181.00 0.00 ATOM 1315 O ASP S 2 45.835 42.266 10.0611.00 0.00 ATOM 1316 CB ASP S 2 45.111 45.012 12.4451.00 0.00 ATOM 1317 CG ASP S 2 44.375 44.208 13.5011.00 0.00 ATOM 1318 OD1ASP S 2 43.184 44.418 13.6751.00 0.00 ATOM 1319 OD2ASP S 2 44.963 43.313 14.0931.00 0.00 ATOM 1320 H ASP S 2 46.873 44.427 9.681 1.00 0.00 ATOM 1321 N HIS S 3 43.896 43.011 10.9691.00 0.00 ATOM 1322 CA HIS S 3 43.078 42.054 10.2501.00 0.00 ATOM 1323 C HIS S 3 42.738 42.601 8.870 1.00 0.00 ATOM 1324 O HIS S 3 43.411 43.493 8.351 1.00 0.00 ATOM 1325 CB HIS S 3 41.855 41.741 11.1261.00 0.00 ATOM 1326 CG HIS S 3 42.241 40.900 12.3281.00 0.00 ATOM 1327 ND1 42.867 41.359 13.4331.00 0.00 HIS
S

ATOM 1328 CD2 42.010 39.531 12.4951.00 0.00 HIS
S

ATOM 1329 CEl 43.028 40.299 14.2811.00 0.00 HIS
S

ATOM 1330 NE2 42.502 39.171 13.7071.00 0.00 HIS
S

ATOM 1331 H HIS S 3 43.406 43.672 11.5371.00 0.00 ATOM 1332 HD1 43.121 42.291 13.6381.00 0.00 HIS
S

1333 N LEU S 4 41.679 42.012 8.277 1.00 0.00 ATOM LEU S 4 189 42.493 6.982 1.00 0.00 ATOM 1334 CA . 283 7.111 1.00 0.00 ATOM 1335 C LEU S 4 . . 6.491 1.00 0.00 ATOM 1336 O LEU S 4 . . 002 1.00 0.00 ATOM 1337 CB LEU S 4 41.046 . .

SUBSTITUTE SHEET (RULE 26) ATOM 1338 CG LEU S 4 41.124 41.7734.540 1.00 0.00 ATOM 1339 CD1LEU S 4 42.483 42.3964.211 1.00 0.00 ATOM 1340 CD2LEU S 4 40.768 40.6383.580 1.00 0.00 ATOM 1341 H LEU S 4 41.204 41.2998.784 1.00 0.00 ATOM 1342 N SER S 5 39.061 42.7858.040 1.00 0.00 ATOM 1343 CA SER S 5 38.086 43.6838.651 1.00 0.00 ATOM 1344 C~-SER S 5 38.266 43.49710.136 1.00 0.00 ATOM 1345 O SER S 5 38.631 42.41510.594 1.00 0.00 ATOM 1346 CB 5ER S 5 36.652 43.3478.221 1.00 0.00 ATOM 1347 OG SER S 5 35.729 44.3438.693 1.00 0.00 ATOM 1348 H SER S 5 39.174 41.8898.469 1.00 0.00 ATOM 1349 HG SER S 5 36.004 45.1618.283 1.00 0.00 ATOM 1350 N ILE S 6 38.058 44.57310.898 1.00 0.00 ATOM 1351 CA ILE S 6 38.289 44.38612.321 1.00 0.00 ATOM 1352 C ILE S 6 37.041 44.55313.154 1.00 0.00 ATOM 1353 O ILE S 6 36.376 45.59013.243 1.00 0.00 ATOM 1354 CB ILE S 6 39.509 45.18012.811 1.00 0.00 ATOM 1355 CGIILE S 6 39.847 44.79914.251 1.00 0.00 ATOM 1356 CG2ILE S 6 39.313 46.68912.655 1.00 0.00 ATOM 1357 CD1ILE S 6 40.062 43.29214.426 1.00 0.00 ATOM 1358 H ILE S 6 37.693 45.41210.489 1.00 0.00 ATOM 1359 N VAL S 7 36.685 43.39013.721 1.00 0.00 ATOM 1360 CA VAL S 7 35.401 43.25314.408 1.00 0.00 ATOM 1361 C VAL S 7 35.372 44.14515.628 1.00 0.00 ATOM 1362 O VAL S 7 36.364 44.29316.333 1.00 0.00 ATOM 1363 CB VAL S 7 35.157 41.78414.799 1.00 0.00 ATOM 1364 CG1VAL S 7 33.737 41.54815.328 1.00 0.00 ATOM 1365 CG2VAL S 7 35.477 40.83313.642 1.00 0.00 ATOM 1366 H VAL S 7 37.390 42.67513.700 1.00 0.00 ATOM 1367 N THR S 8 34.210 44.75015.853 1.00 0.00 ATOM 1368 CA THR S 8 34.063 45.45717.114 1.00 0.00 ATOM 1369 C THR S 8 32.693 45.27117.737 1.00 0.00 ATOM 1370 O THR S 8 31.712 44.90017.088 1.00 0.00 ATOM 1371 CB THR S 8 34.414 46.95016.995 1.00 0.00 ATOM 1372 OG1THR S 8 33.361 47.70916.395 1.00 0.00 ATOM 1373 CG2THR S 8 35.751 47.28416.326 1.00 0.00 ATOM 1374 H THR S 8 33.436 44.59915.240 1.00 0.00 ATOM 1375 HG1THR S 8 33.504 47.63915.443 1.00 0.00 ATOM 1376 N LEU S 9 32.635 45.56019.042 1.00 0.00 ATOM 1377 CA LEU S 9 31.354 45.43319.747 1.00 0.00 ATOM 1378 C LEU S 9 30.600 46.77219.891 1.00 0.00 ATOM 1379 O LEU S 9 31.016 47.77219.291 1.00 0.00 ATOM 1380 CB LEU S 9 31.585 44.72021.094 1.00 0.00 ATOM 1381 CG LEU S 9 32.330 43.35921.117 1.00 0.00 ATOM 1382 CD1LEU S 9 32.185 42.48619.865 1.00 0.00 ATOM 1383 CD2LEU S 9 33.791 43.51321.503 1.00 0.00 ATOM 1384 H LEU S 9 33.516 45.72019.483 1.00 0.00 ATOM 1385 N GLU S 10 29.506 46.76520.710 1.00 0.00 ATOM 1386 CA GLU S 10 28.582 47.90120.917 1.00 0.00 ATOM 1387 C GLU S 10 27.429 47.49521.850 1.00 0.00 ATOM 1388 O GLU S 10 27.438 46.36422.346 1.00 0.00 ATOM 1389 CB GLU S 10 28.038 48.41419.574 1.00 0.00 ATOM 1390 CG GLU S 10 26.969 47.54918.895 1.00 0.00 ATOM 1391 CD GLU S 10 27.415 46.12818.591 1.00 0.00 ATOM 1392 OElGLU S 10 27.741 45.84617.443 1.00 0.00 ATOM 1393 OE2GLU S 10 27.396 45.27819.485 1.00 0.00 ATOM 1394 H GLU S 10 29.251 45.89921.141 1.00 0.00 ATOM 1395 N GLU S 11 26.440 48.38022.059 1.00 0.00 ATOM 1396 CA GLU S 11 25.271 47.95222.834 1.00 0.00 ATOM 1397 C GLU S 11 23.963 48.40322.209 1.00 0.00 ATOM 1398 O GLU S 11 23.938 49.14221.222 1.00 0.00 ATOM 1399 CB GLU S 11 25.292 48.43624.296 1.00 0.00 ATOM 1400 CG GLU S 11 26.631 48.45825.043 1.00 0.00 ATOM 1401 CD GLU S 11 27.472 49.61024.534 1.00 0.00 ATOM 1402 OE1GLU S 11 26.974 50.73124.513 1.00 0.00 ATOM 1403 OE2GLU S 11 28.612 49.37924.138 1.00 0.00 ATOM 1404 H GLU S 11 26.470 49.32621.731 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1405 N ALA 12 22.867 47.93922.848 1.00 0.00 S

ATOM 1406 CA ALA 12 21.536 48.43622.493 1.00 0.00 S

ATOM 1407 C ALA 12 20.925 49.57523.329 1.00 0.00 S

ATOM 1408 O ALA 12 20.366 50.50322.745 1.00 0.00 S

ATOM 1409 CB ALA 12 20.537 47.278-22.3681.00 0.00 S

ATOM 1410 H ALA 12 22.959 47.28723.599 1.00 0.00 S

ATOM 1411 N PRO 13 21.004 49.53224.682 1.00 0.00 ~- S

ATOM 1412 CA PRO 13 20.454 50.67825.413 1.00 0.00 S

ATOM 1413 C PRO 13 21..219 51.98725.232 1.00 0.00 S

ATOM 1414 O PRO 13 22.229 52.21525.905 1.00 0.00 S

ATOM 1415 CB PRO 13 20.476 50.21126.875 1.00 0.00 S

ATOM 1416 CG PRO 13 20.632 48.69226.834 1.00 0.00 S

ATOM 1417 CD PRO 13 21.468 48.48125.582 1.00 0.00 S

ATOM 1418 N PHE 14 20.618 52.86124.388 1.00 0.00 S

ATOM 1419 CA PHE 14 20.975 54.26924.116 1.00 0.00 S

ATOM 1420 C PHE 14 21.665 54.44722.786 1.00 0.00 S

ATOM 1421 O PHE 14 21.248 55.20521.918 1.00 0.00 S

ATOM 1422 CB PHE 14 21.792 55.01125.191 1.00 0.00 S

ATOM 1423 CG PHE 14 20.913 55.52226.309 1.00 0.00 S

ATOM 1424 CD1PHE 14 20.618 54.69027.411 1.00 0.00 S

ATOM 1425 CD2PHE 14 20.416 56.84226.237 1.00 0.00 S

ATOM 1426 CElPHE 14 19.822 55.18728.461 1.00 0.00 S

ATOM 1427 CE2PHE 14 19.620 57.34227.286 1.00 0.00 S

ATOM 1428 CZ PHE 14 19.335 56.51028.390 1.00 0.00 S

ATOM 1429 H PHE 14 19.915 52.44123.809 1.00 0.00 S

ATOM 1430 N VAL 15 22.749 53.66922.607 1.00 0.00 S

ATOM 1431 CA VAL 15 23.352 53.64321.261 1.00 0.00 S

ATOM 1432 C VAL 15 22.361 53.07120.255 1.00 0.00 S

ATOM 1433 O VAL 15 22.100 51.86620.251 1.00 0.00 S

ATOM 1434 CB VAL 15 24.671 52.85121.260 1.00 0.00 S

ATOM 1435 CG1VAL 15 25.348 52.86819.883 1.00 0.00 S

ATOM 1436 CG2VAL 15 25.619 53.36422.348 1.00 0.00 S

ATOM 1437 H VAL 15 22.981 52.97923.296 1.00 0.00 S

ATOM 1438 N ILE 16 21.751 54.03319.549 1.00 0.00 S

ATOM 1439 CA ILE 16 20.561 53.98918.697 1.00 0.00 S

ATOM 1440 C ILE 16 20.068 55.43218.638 1.00 0.00 S

ATOM 1441 O ILE 16 18.994 55.84819.072 1.00 0.00 S

ATOM 1442 CB ILE 16 19.483 52.96519.151 1.00 O.DO
S

ATOM 1443 CGlILE 16 18.337 52.86218.137 1.00 0.00 S

ATOM 1444 CG2ILE 16 18.941 53.21420.571 1.00 0.00 S

ATOM 1445 CD1ILE 16 17.372 51.70818.417 1.00 0.00 S

ATOM 1446 H ILE 16 22.135 54.93419.748 1.00 0.00 S

ATOM 1447 N VAL 17 21.016 56.24018.153 1.00 0.00 S

ATOM 1448 CA VAL 17 20.794 57.68118.084 1.00 0.00 S

ATOM 1449 C VAL 17 20.423 58.09016.673 1.00 0.00 S

ATOM 1450 O VAL 17 19.427 58.76116.428 1.00 0.00 S

ATOM 1451 CB VAL 17 22.027 58.43318.608 1.00 0.00 S

ATOM 1452 CG1 17 21.865 59.95618.543 1.00 0.00 VAL
S

ATOM 1453 CG2 17 22.351 57.97120.032 1.00 0.00 VAL
S

ATOM 1454 H VAL 17 21.871 55.81917.854 1.00 0.00 S

ATOM 1455 N GLU 18 21.230 57.57615.720 1.00 0.00 S

ATOM 1456 CA GLU 18 20.732 57.63914.341 1.00 0.00 S

ATOM 1457 C GLU 18 19.763 56.49914.090 1.00 0.00 S

ATOM 1458 O GLU 18 20.124 55.45213.542 1.00 0.00 S

ATOM 1459 CB GLU 18 21.874 57.59813.308 1.00 0.00 S

ATOM 1460 CG GLU 18 21.440 57.87511.851 1.00 0.00 S

ATOM 1461 CD GLU 18 22.247 57.08510.814 1.00 0.00 S

ATOM 1462 OE1 18 22.923 56.12111.143 1.00 0.00 GLU
S

ATOM 1463 OE2 18 22.173 57.3919.635 1.00 0.00 GLU
S

1464 H GLU 18 22.060 57.07815.979 1.00 0.00 S

ATOM N SER 19 18.522 56.73014.535 1.00 0.00 S

ATOM 1465 SER 19 440 55.77114.297 1.00 0.00 ATOM 1466 CA 19 . 073 12.912 1.00 0.00 ATOM 1467 C SER . . 12.079 1.00 0.00 ATOM 1468 O SER 19 . . 574 1.00 0.00 ATOM 1469 CB SER 19 16.58 . .
S

M 1470 OG SER 19 17.496 55.71316.677 1.00 0.00 S

ATO 379 601 15.014 1.00 0.00 ATOM 1471 H SER 19 . .
S

SUBSTITUTE SHEET (RULE 26) ATOM 1472 HG SERS 19 16.986 55.43417.439 1.00 0.00 ATOM 1473 N VALS 20 15.532 55.95012.582 1.00 0.00 ATOM 1474 CA VALS 20 14.345 55.47913.312 1.00 0.00 ATOM 1475 C VALS 20 13.948 54.13112.728 1.00 0.00 ATOM 1476 O VALS 20 14.323 53.85011.589 1.00 0.00 ATOM 1477 CB VALS 20 13.218 56.52413.171 1.00 0.00 ATOM 1478 CGl-VALS 20 11.993 56.22514.043 1.00 0.00 ATOM 1479 CG2 VALS 20 13.741 57.93413.463 1.00 0.00 ATOM 1480 H VALS 20 15.376 56.11911.611 1.00 0.00 ATOM 1481 N ASPS 21 13.229 53.32613.533 1.00 0.00 ATOM 1482 CA ASPS 21 13.250 51.88313.272 1.00 0.00 ATOM 1483 C ASPS 21 11.928 51.14412.945 1.00 0.00 ATOM 1484 O ASPS 21 11.537 50.18513.612 1.00 0.00 ATOM 1485 CB ASPS 21 13.947 51.21714.476 1.00 0.00 ATOM 1486 CG, ASPS 21 15.458 51.45214.556 1.00 0.00 ATOM 1487 ODl ASPS 21 15.949 52.57014.475 1.00 0.00 ATOM 1488 OD2 ASPS 21 16.186 50.49014.715 1.00 0.00 ATOM 1489 H ASPS 21 12.879 53.64014.411 1.00 0.00 ATOM 1490 N PROS 22 11.196 51.56911.872 1.00 0.00 ATOM 1491 CA PROS 22 10.035 50.76511.451 1.00 0.00 ATOM 1492 C PROS 22 10.443 49.71610.409 1.00 0.00 ATOM 1493 O PROS 22 11.590 49.26210.382 1.00 0.00 ATOM 1494 CB PROS 22 9.117 51.87210.924 1.00 0.00 ATOM 1495 CG PROS 22 10.055 52.87610.254 1.00 0.00 ATOM 1496 CD PROS 22 11.348 52.77211.057 1.00 0.00 ATOM 1497 N LEUS 23 9.510 49.3739.510 1.00 0.00 ATOM 1498 CA LEUS 23 9.918 48.6028.336 1.00 0.00 ATOM 1499 C LEUS 23 10.555 49.5257.307 1.00 0.00 ATOM 1500 O LEUS 23 9.871 50.2226.566 1.00 0.00 ATOM 1501 CB LEUS 23 8.678 47.8897.778 1.00 0.00 ATOM 1502 CG LEUS 23 8.842 47.1196.460 1.00 0.00 ATOM 1503 CD1 LEUS 23 9.863 45.9886.551 1.00 0.00 ATOM 1504 CD2 LEUS 23 7.495 46.6135.945 1.00 0.00 ATOM 1505 H LEUS 23 8.597 49.7679.562 1.00 0.00 ATOM 1506 N SERS 24 11.892 49.5527.297 1.00 0.00 ATOM 1507 CA SERS 24 12.517 50.5576.440 1.00 0.00 ATOM 1508 C SERS 24 13.859 50.1465.868 1.00 0.00 ATOM 1509 O SERS 24 14.932 50.5526.308 1.00 0.00 ATOM 1510 CB SERS 24 12.573 51.9277.139 1.00 0.00 ATOM 1511 OG SERS 24 11.232 52.4127.359 1.00 0.00 ATOM 1512 H SERS 24 12.459 48.9307.837 1.00 0.00 ATOM 1513 HG SERS 24 10.657 51.8766.819 1.00 0.00 ATOM 1514 N GLYS 25 13.741 49.3304.810 1.00 0.00 ATOM 1515 CA GLYS 25 14.960 48.9964.075 1.00 0.00 ATOM 1516 C GLYS 25 15.455 50.0823.134 1.00 0.00 ATOM 1517 O GLYS 25 15.577 49.9051.919 1.00 0.00 ATOM 1518 H GLYS 25 12.855 48.9394.570 1.00 0.00 ATOM 1519 N THRS 26 15.724 51.2533.714 1.00 0.00 ATOM 1520 CA THRS 26 16.216 52.2882.825 1.00 0.00 ATOM 1521 C THRS 26 17.737 52.3622.715 1.00 0.00 ATOM 1522 O THRS 26 18.446 53.2183.253 1.00 0.00 ATOM 1523 CB THRS 26 15.473 53.6143.086 1.00 0.00 ATOM 1524 OG1 THRS 26 15.546 54.4781.942 1.00 0.00 ATOM 1525 CG2 THRS 26 15.844 54.3254.393 1.00 0.00 ATOM 1526 H THRS 26 15.696 51.3644.707 1.00 0.00 ATOM 1527 HG1 THRS 26 16.332 55.0062.043 1.00 0.00 ATOM 1528 N CYSS 27 18.196 51.3971.895 1.00 0.00 ATOM 1529 CA CYSS 27 19.611 51.2321.540 1.00 0.00 ATOM 1530 C CYSS 27 20.429 50.7582.727 1.00 0.00 ATOM 1531 O CYSS 27 21.450 51.3113.131 1.00 0.00 ATOM 1532 CB CYS5 27 20.198 52.4960.885 1.00 0.00 ATOM 1533 SG CY5S 27 21.756 52.263-0.022 1.00 0.00 ATOM 1534 H CYSS 27 17.532 50.6751.709 1.00 0.00 ATOM 1535 N METS 28 19.884 49.6993.339 1.00 0.00 ATOM 1536 CA METS 28 20.582 49.1864.511 1.00 0.00 ATOM 1537 C METS 28 21.733 48.2554.149 1.00 0.00 ATOM 1538 O METS 28 21.757 47.7393.028 1.00 0.00 SUBSTITUTE SHEET (RULE 26) r ATOM 1539 CB MET 28 19.560 48.599 5.485 1.00 0.00 S

ATOM 1540 CG MET 28 18.646 49.715 5.993 1.00 0.00 S

ATOM 1541 SD MET 28 17.842 49.313 7.543 1.00 0.00 S

ATOM 1542 CE MET 28 17.069 47.771 7.031 1.00 0.00 S

ATOM 1543 H MET 28 19.130 49.2-102.899 1.00 0.00 S

ATOM 1544 N ARG 29 22.700 48.058 5.084 1.00 0.00 S

ATOM 1545 CA_ ARG 29 22.798 48.584 6.459 1.00 0.00 S

ATOM 1546 C ARG 29 22.903 50.092 6.680 1.00 0.00 S

ATOM 1547 O ARG 29 22.746 50.584 7.794 1.00 0.00 S

ATOM 1548 CB ARG 29 23.978 47.936 7.202 1.00 0.00 S

ATOM 1549 CG ARG 29 23.848 46.440 7.493 1.00 0.00 S

ATOM 1550 CD ARG 29 25.143 45.742 7.942 1.00 0.00 S

ATOM 1551 NE ARG 29 25.662 46.198 9.236 1.00 0.00 S

ATOM 1552 CZ ARG 29 26.510 45.417 9.947 1.00 0.00 S

ATOM 1553 NH1 ARG 29 27.167 45.947 10.9841.00 0.00 S

ATOM 1554 NH2 ARG 29 26.690 44.142 9.591 1.00 0.00 S

ATOM 1555 H ARG 29 23.326 47.344 4.786 1.00 0.00 S

ATOM 1556 HE ARG 29 25.345 47.084 9.571 1.00 0.00 S

ATOM 1557 1HH1ARG 29 27.745 45.381 11.5881.00 0.00 S

ATOM 1558 ARG 29 27.099 46.927 11.1931.00 0.00 ATOM 1559 1HH2ARG 29 27.343 43.536 10.0451.00 0.00 S

ATOM 1560 2HH2ARG 29 26.159 43.704 8.846 1.00 0.00 S

ATOM 1561 N ASN 30 23.235 50.843 5.629 1.00 0.00 S

ATOM 1562 CA ASN 30 23.732 52.150 6.059 1.00 0.00 S

ATOM 1563 C ASN 30 22.968 53.391 5.636 1.00 0.00 S

ATOM 1564 O ASN 30 23.517 54.466 5.384 1.00 0.00 S

ATOM 1565 CB ASN 30 25.232 52.234 5.816 1.00 0.00 S

ATOM 1566 CG ASN 30 25.865 53.256 6.735 1.00 0.00 S

ATOM 1567 ODl ASN 30 26.798 53.956 6.349 1.00 0.00 S

ATOM 1568 ND2 ASN 30 25.405 53.292 7.994 1.00 0.00 S

ATOM 1569 H ASN 30 23.097 50.593 4.670 1.00 0.00 S

ATOM 1570 1HD2ASN 30 25.912 53.852 8.646 1.00 0.00 S

ATOM 1571 2HD2ASN 30 24.586 52.807 8.290 1.00 0.00 S

ATOM 1572 N THR 31 21.641 53.173 5.604 1.00 0.00 S

ATOM 1573 CA THR 31 20.673 54.185 5.164 1.00 0.00 S

ATOM 1574 C THR 31 21.062 54.957 3.899 1.00 0.00 S

ATOM 1575 O THR 31 22.016 54.648 3.192 1.00 0.00 S

ATOM 1576 CB THR 31 20,210 55.079 6.348 1.00 0.00 S

ATOM 1577 OGl THR 31 18.969 55.756 6.064 1.00 0.00 S

ATOM 1578 CG2 THR 31 21.262 56.073 6.842 1.00 0.00 S

ATOM 1579 H THR 31 21.365 52.243 5.833 1.00 0.00 S

ATOM 1580 HGl THR 31 18.851 56.381 6.783 1.00 0.00 S

ATOM 1581 N VAL 32 20.269 56.000 3.600 1.00 0.00 S

ATOM 1582 CA VAL 32 20.537 56.742 2.365 1.00 0.00 S

ATOM 1583 C VAL 32 21.990 57.206 2.162 1.00 0.00 S

ATOM 1584 O VAL 32 22.609 56.843 1.174 1.00 0.00 S

ATOM 1585 CB VAL 32 19.496 57.860 2.142 1.00 0.00 S

ATOM 1586 CG1 VAL 32 19.662 58.538 0.777 1.00 0.00 S

ATOM 1587 CG2 VAL 32 18.073 57.322 2.322 1.00 0.00 S

ATOM 1588 H VAI. 32 19.546 56.232 4.253 1.00 0.00 S

ATOM 1589 N PRO 33 22.575 58.000 3.103 1.00 0.00 S

ATOM 1590 CA PRO 33 23.963 58.441 2.871 1.00 0.00 S

ATOM 1591 C PRO 33 25.071 57.411 3.117 1.00 0.00 S

ATOM 1592 O PRO 33 26.157 57.774 3.577 1.00 0.00 S

ATOM 1593 CB PRO 33 24.119 59.639 3.820 1.00 0.00 S

ATOM 1594 CG PRO 33 22.729 59.958 4.369 1.00 0.00 S

ATOM 1595 CD PRO 33 22.027 58.612 4.308 1.00 0.00 S

ATOM 1596 N CYS 34 24.775 56.130 2.817 1.00 0.00 S

ATOM 1597 CA CYS 34 25.654 55.009 3.159 1.00 0.00 S

ATOM 1598 C CYS 34 27.141 55.183 2.933 1.00 0.00 S

ATOM 1599 O CYS 34 27.960 54.674 3.690 1.00 0.00 S

ATOM 1600 CB CYS 34 25.173 53.729 2.465 1.00 0.00 S

ATOM 1601 SG CYS 34 25.151 53.851 0.656 1.00 0.00 S

ATOM 1602 H CYS 34 23.906 55.925 2.369 1.00 0.00 S

ATOM 1603 N GLN 35 27.471 55.896 1.842 1.00 0.00 S

ATOM 1604 CA GLN 35 28.906 56.052 1.639 1.00 0.00 S

ATOM 1605 C GLN 35 29.504 57.413 1.923 1.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 1606 O GLNS 35 30.721 57.578 1.880 1.00 0.00 ATOM 1607 CB GLNS 35 29.330 55.483 0.292 1.00 0.00 ATOM 1608 CG GLNS 35 29.199 53.960 0.334 1.00 0.00 ATOM 1609 CD GLNS 35 29.621 53.391 -0.9931.00 0-.00 ATOM 1610 OE1 GLNS 35 30.793 53.284 -1.3281.00 0.00 -ATOM 1611 NE2 GLNS 35 28.594 53.051 -1.7881.00 0.00 ATOM 1612 H~_ GLNS 35 26.792 56.214 1.180 1.00 0.00 ATOM 1613 1HE2GLNS 35 28.832 52.764 -2.7191.00 0.00 ATOM 1614 2HE2GLNS 35 27.650 53.085 -1.4571.00 0.00 ATOM 1615 N LYSS 36 28.630 58.370 2.294 1.00 0.00 ATOM 1616 CA LYSS 36 29.197 59.577 2.911 1.00 0.00 ATOM 1617 C LYSS 36 29.636 59.280 4.339 1.00 0.00 ATOM 1618 O LYSS 36 30.815 59.217 4.684 1.00 0.00 ATOM 1619 CB LYSS 36 28.181 60.732 2.835 1.00 0.00 ATOM 1620 CG LYSS 36 28.693 62.175 3.016 1.00 0.00 ATOM 1621 CD LYSS 36 29.135 62.596 4.426 1.00 0.00 ATOM 1622 CE LYSS 36 29.413 64.103 4.515 1.00 0.00 ATOM 1623 NZ LYSS 36 29.846 64.465 5.865 1.00 0.00 ATOM 1624 H LYSS 36 27.668 58.125 2.386 1.00 0.00 ATOM 1625 1HZ LYSS 36 30.882 64.508 5.946 1.00 0.00 ATOM 1626 2HZ LYSS 36 29.533 65.416 6.124 1.00 0.00 ATOM 1627 3HZ LYSS 36 29.477 63.849 6.609 1.00 0.00 ATOM 1628 N ARGS 37 28.614 59.019 5.171 1.00 0.00 ATOM 1629 CA ARGS 37 28.987 58.463 6.466 1.00 0.00 ATOM 1630 C ARGS 37 29.449 57.022 6.331 1.00 0.00 ATOM 1631 O ARGS 37 29.676 56.523 5.222 1.00 0.00 ATOM 1632 CB ARGS 37 27.845 58.667 7.465 1.00 O.OD

ATOM 1633 CG ARGS 37 27.889 60.106 7.982 1.00 0.00 ATOM 1634 CD ARGS 37 26.840 60.455 9.037 1.00 0.00 ATOM 1635 NE ARGS 37 27.209 61.713 9.688 1.00 0.00 ATOM 1636 CZ ARGS 37 26.330 62.540 10.2841.00 0.00 ATOM 1637 NH1 ARGS 37 26.772 63.573 10.9911.00 0.00 ATOM 1638 NH2 ARGS 37 25.023 62,307 10.1671.00 0.00 ATOM 1639 H ARGS 37 27.670 58.966 4.852 1.00 0.00 ATOM 1640 HE ARGS 37 28.177 62.000 9.621 1.00 0.00 ATOM 1641 1HH1ARGS 37 26.184 64.260 11.4331.00 0.00 ATOM 1642 2HH1ARGS 37 27.763 63.741 11.1181.00 0.00 ATOM 1643 1HH2ARGS 37 24.326 62.867 10.6181.00 0.00 ATOM 1644 2HH2ARGS 37 24.697 61.543 9.607 1.00 0.00 ATOM 1645 N ILES 38 29.637 56.397 7.490 1.00 0.00 ATOM 1646 CA ILES 38 29.911 54.968 7.452 1.00 0.00 ATOM 1647 C ILES 38 28.986 54.258 8.437 1.00 0.00 ATOM 1648 O ILES 38 27.856 54.732 8.598 1.00 0.00 ATOM 1649 CB ILES 38 31.433 54.727 7.537 1.00 0.00 ATOM 1650 CG1 ILES 38 31.883 53.317 7.126 1.00 0.00 ATOM 1651 CG2 ILES 38 31.976 55.173 8.892 1.00 0.00 ATOM 1652 CD1 ILES 38 33.398 53.143 7.020 1.00 0.00 ATOM 1653 H ILES 38 29.561 56.889 8.361 1.00 O.OD

ATOM 1654 N ILES 39 29.394 53.122 9.023 1.00 0.00 ATOM 1655 CA ILES 39 28.357 52.161 9.336 1.00 0.00 ATOM 1656 C ILES 39 28.315 51.748 10.7971.00 0.00 ATOM 1657 O ILES 39 29.332 51.467 11.4251.00 0.00 ATOM 1658 CB ILES 39 28.548 50.976 8.362 1.00 0.00 ATOM 1659 CG1 ILES 39 27.384 49.989 8.309 1.00 0.00 ATOM 1660 CG2 ILES 39 29.875 50.240 8.616 1.00 0.00 ATOM 1661 CD1 ILES 39 27.585 48.926 7.228 1.00 0.00 ATOM 1662 H TLES 39 30.356 52.873 9.123 1.00 0.00 ATOM 1663 N SERS 40 27.089 51.627 11.2871.00 0.00 ATOM 1664 CA SERS 40 27.013 50.865 12.5281.00 0.00 ATOM 1665 C SERS 40 26.984 49.358 12.3311.00 0.00 ATOM 1666 O SERS 40 26.974 48.784 11.2281.00 0.00 ATOM 1667 CB SERS 40 25.811 51.285 13.3851.00 0.00 ATOM 1668 OG SERS 40 26.236 51.777 14.6661.00 0.00 ATOM 1669 H SERS 40 26.287 51.895 10.7581.00 0.00 ATOM 1670 HG SERS 40 25.552 51.470 15.2751.00 0.00 ATOM 1671 N GLUS 41 26.933 48.774 13.5341.00 0.00 ATOM 1672 CA GLUS 41 26.094 47.631 13.8891.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1673 C GLU 41 24.949 47.339 12.9271.00 0.00 S

ATOM 1674 O GLU 41 24.458 48.187 12.1741.00 0.00 S

ATOM 1675 CB GLU 41 25.549 47.936 15.2841.00 0.00 S

ATOM 1676 CG GLU 41 24.802 46.800 15.9741.00 0.00 S

ATOM 1677 CD GLU 41 23.896 47.351 17.0481.00 0.00 S _ ATOM 1678 OEl GLU 41 23.945 46.875 18.1791.00 0.00 S

ATOM 1679 OE2 GLU 41 23.109 48.244 16.7581.00 0.00 S

ATOM 1680 H LU 41 27.299 49.317 14.2871.00 0.00 G S

ATOM 1681 N ASN 42 24.563 46.064 12.9471.00 0.00 S

ATOM 1682 CA ASN 42 23.217 45.700 12.5221.00 0.00 S

ATOM 1683 C ASN 42 22.472 45.227 13.7591.00 0.00 S

ATOM 1684 O ASN 42 23.031 44.495 14.5861.00 0.00 S

ATOM 1685 CB ASN 42 23.246 44.667 11.3941.00 0.00 S

ATOM 1686 CG ASN 42 23.941 43.408 11.8521.00 0.00 S

ATOM 1687 OD1 ASN 42 25.160 43.356 12.0471.00 0.00 S

ATOM 1688 ND2 ASN 42 23.079 42.419 12.0771.00 0.00 S

ATOM 1689 H ASN 42 25.069 45.453 13.5561.00 0.00 S

ATOM 1690 ASN 42 23.320 41.527 12.4511.00 0.00 ATOM 1691 ASN 42 22.108 42.552 11.8561.00 0.00 ATOM 1692 N LYS 43 21.256 45.763 13.9061.00 0.00 S

ATOM 1693 CA LYS 43 20.559 45.444 15.1441.00 0.00 S

ATOM 1694 C LYS 43 19.971 44.058 15.0571.00 0.00 S

ATOM 1695 O LYS 43 18.973 43.855 14.3701.00 0.00 S

ATOM 1696 CB LYS 43 19.477 46.491 15.4461.00 0.00 S

ATOM 1697 CG LYS 43 18.605 46.212 16.6851.00 0.00 S

ATOM 1698 CD LYS 43 19.043 46.786 18.0431.00 0.00 S

ATOM 1699 CE LYS 43 20.434 46.403 18.5531.00 0.00 S

ATOM 1700 NZ LYS 43 21.321 47.560 18.4011.00 0.00 S

ATOM 1701 H LYS 43 20.874 46.348 13.1961.00 0.00 S

ATOM 1702 1HZ LYS 43 22.315 47.325 18.6011.00 0.00 S

ATOM 1703 2HZ LYS 43 21.391 47.873 17.4111.00 0.00 S

ATOM 1704 3HZ LYS 43 21.044 48.367 18.9861.00 0.00 S

ATOM 1705 N THR 44 20.650 43.162 15.7831.00 0.00 S

ATOM 1706 CA THR 44 20.305 41.743 15.7961.00 0.00 S

ATOM 1707 C THR 44 20.515 41.011 14.4741.00 0.00 S

ATOM 1708 O THR 44 21.546 40.360 14.3021.00 0.00 S

ATOM 1709 CB THR 44 18.922 41.496 16.4241.00 0.00 S

ATOM 1710 OG1 THR 44 18.836 42.143 17.7101.00 0.00 S

ATOM 1711 CG2 THR 44 18.614 40.003 16.5951.00 0.00 S

ATOM 1712 H THR 44 21.474 43.463 16.2481.00 0.00 S

ATOM 1713 HG1 THR 44 18.041 41.760 18.0741.00 0.00 S

ATOM 1714 N ASP 45 19.529 41.116 13.5801.00 0.00 S

ATOM 1715 CA ASP 45 19.642 40.316 12.3701.00 0.00 S

ATOM 1716 C ASP 45 20.065 41.122 11.1601.00 0.00 S

ATOM 1717 O ASP 45 20.077 42.353 11.1451.00 0.00 S

ATOM 1718 CB ASP 45 18.336 39.564 12.1191.00 0.00 S

ATOM 1719 CG ASP 45 18.662 38.134 11.7431.00 0.00 S

ATOM 1720 ODl ASP 45 18.512 37.258 12.5921.00 0.00 S

ATOM 1721 OD2 ASP 45 19.070 37.896 10.6071.00 0.00 S

ATOM 1722 H ASP 45 18.791 41.772 13.7161.00 0.00 S

ATOM 1723 N GLU 46 20.427 40.393 10.1051.00 0.00 S

ATOM 1724 CA GLU 46 20.792 41.115 8.895 1.00 0.00 S

ATOM 1725 C GLU 46 19.678 41.501 7.931 1.00 0.00 S

ATOM 1726 O GLU 46 19.961 42.235 6.982 1.00 0.00 S

ATOM 1727 CB GLU 46 21.978 40.463 8.169 1.00 0.00 S

ATOM 1728 CG GLU 46 23.363 40.819 8.752 1.00 0.00 S

ATOM 1729 CD GLU 46 23.847 42.221 8.369 1.00 0.00 S

ATOM 1730 OE1 46 25.053 42.405 8.196 1.00 0.00 GLU
S

ATOM 1731 OE2 46 23.040 43.138 8.243 1.00 0.00 GLU
S

ATOM 1732 H GLU 46 20.308 39.398 10.1741.00 0.00 S

ATOM 1733 N GLU 47 18.434 41.068 8.227 1.00 0.00 S

ATOM 1734 CA GLU 47 17.271 41.414 7.377 1.00 0.00 S

ATOM 1735 C GLU 47 17.255 42.826 6.789 1.00 0.00 S

ATOM 1736 O GLU 47 17.176 43.839 7.485 1.00 0.00 S

ATOM 1737 CB GLU 47 15.935 41.145 8.092 1.00 0.00 S

ATOM 1738 CG GLU 47 14.839 40.409 7.285 1.00 0.00 S

ATOM 1739 CD GLU 47 14.237 41.213 6.133 1.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 1740 OEl GLUS 47 13.183 41.822 6.300 1.000.00 ATOM 1741 OE2 GLUS 47 14.796 41.211 5.041 1.000.00 ATOM 1742 H GLUS 47 18.333 40.48 8.991 1.000.00 ATOM 1743 N PROS 48 17.419 42.856 5.448 1.00Q.00 ATOM 1744 CA PROS 48 17.311 44.117 4.716 1.000.00 -ATOM 1745 C PROS 48 16.037 44.938 4.883 1.000.00 ATOM 1746 O-_ PROS 48 16.051 46.122 4.557 1.000.00 ATOM 1747 CB PROS 48 17.546 43.694 3.261 1.000.00 ATOM 1748 CG PROS 48 18.367 42.410 3.346 1.000.00 ATOM 1749 CD PROS 48 17.790 41.738 4.584 1.000.00 ATOM 1750 N GLYS 49 14.946 44.306 5.329 1.000.00 ATOM 1751 CA GLYS 49 13.714 45.086 5.392 1.000.00 ATOM 1752 C GLYS 49 13.400 45.675 6.755 1.000.00 ATOM 1753 O GLYS 49 23.066 46.856 6.905 1.000.00 ATOM 1754 H GLYS 49 14.936 43.340 5.612 1.000.00 ATOM 1755 N TYRS 50 13.477 44.791 7.749 1.000.00 ATOM 1756 CA TYRS 50 13.D77 45.223 9.084 1.000.00 ATOM 1757 C TYRS 50 14.172 45.896 9.893 1.000.00 ATOM 1758 O TYRS 50 15.332 45.502 9.876 1.000.00 ATOM 1759 CB TYRS 50 12.463 44.060 9.871 1.000.00 ATOM 1760 CG TYRS 50 10.961 44.013 9.679 1.000.00 ATOM 1761 CDl TYRS 50 10.397 43.041 8.826 1.000.00 ATOM 1762 CD2 TYRS 50 10.159 44.941 10.376 1.000.00 ATOM 1763 CE1 TYRS 50 8.998 42.993 8.673 1.000.00 ATOM 1764 CE2 TYRS 50 8.764 44.892 10.223 1.000.00 ATOM 1765 CZ TYRS 50 8.197 43.918 9.375 1.000.00 ATOM 1766 OH TYRS 50 6.818 43.877 9.233 1.000.00 ATOM 1767 H TYRS 50 13.801 43.859 7.551 1.000.00 ATOM 1768 HH TYRS 50 6.436 44.530 9.805 1.000.00 ATOM 1769 N ILES 51 13.709 46.933 10.625 1.00O.DO

ATOM 1770 CA ILES 51 14.506 47.751 11.552 1.00O.OD

ATOM 1771 C ILES 51 15.608 48.620 10.934 1.000.00 ATOM 1772 O ILES 51 16.126 48.344 9.859 1.000.00 ATOM 1773 CB ILES 51 14.956 46.888 12.759 1.000.00 ATOM 1774 CG1 ILES 51 14.635 47.581 14.082 1.000.00 ATOM 1775 CG2 ILES 51 16.433 46.459 12.715 1.000.00 ATOM 1776 CD1 ILES 51 14.877 46.697 15.307 1.000.00 ATOM 1777 H ILES 51 12.731 47.105 10.545 1.000.00 ATOM 1778 N LYSS 52 15.973 49.705 11.641 1.000.00 ATOM 1779 CA LYSS 52 17.127 50.472 11.165 1.000.00 ATOM 1780 C LYSS 52 18.440 49.892 11.666 1.000.00 ATOM 1781 O LYSS 52 19.155 50.432 12.509 1.000.00 ATOM 1782 CB LYSS 52 16.918 51.967 11.475 1.000.00 ATOM 1783 CG LYSS 52 18.055 53.010 11.453 1.000.00 ATOM 1784 CD LYSS 52 18.818 53.181 10.141 1.000.00 ATOM 1785 CE LY5S 52 19.621 54.491 10.076 1.000.00 ATOM 1786 NZ LYSS 52 20.680 54.588 11.081 1.000.00 ATOM 1787 H LYSS 52 15.607 49.877 12.558 1.000.00 ATOM 1788 1HZ LYSS 52 20.931 53.673 11.482 1.00O.OD

ATOM 1789 2HZ LYSS 52 21.540 55.021 10.684 1.000.00 ATOM 1790 3HZ LYSS 52 20.370 55.187 11.867 1.000.00 ATOM 1791 N LYSS 53 18.759 48.769 11.010 1.000.00 ATOM 1792 CA LYSS 53 19.927 47.971 11.369 1.000.00 ATOM 1793 C LYSS 53 21.163 48.704 11.840 1.000.00 ATOM 1794 O LYSS 53 21.759 48.349 12.853 1.000.00 ATOM 1795 CB LYSS 53 20.290 47.D05 10.258 1.000.00 ATOM 1796 CG LYSS 53 19.231 45.924 10.065 1.000.00 ATOM 1797 CD LYSS 53 19.772 44.862 9.124 1.000.00 ATOM 1798 CE LYSS 53 20.114 45.441 7.759 1.000.00 ATOM 1799 NZ LYSS 53 21.097 44.576 7.112 1.000.00 ATOM 1800 H LYSS 53 18.033 48.393 10.431 1.000.00 ATOM 1801 1HZ LYSS 53 20.653 43.719 6.739 1.000.00 ATOM 1802 2HZ LYSS 53 21.561 45.094 6.352 1.000.00 ATOM 1803 3HZ LYSS 53 21.812 44.280 7.809 1.000.00 ATOM 1804 N CYSS 54 21.536 49.774 11.126 1.000.00 ATOM 1805 CA CYSS 54 22.473 50.662 11.802 1.000.00 ATOM 1806 C CYSS 54 21.818 51.477 12.891 1.000.00 1~
SUBSTITUTE SHEET (RULE 2fi) ATOM 1807 O CYS 54 21.392 52.600 12.635 1.00 0.00 S

ATOM 1808 CB CYS 54 23.169 51.595 10.819 1.00 0.00 S

ATOM 1809 SG CYS 54 24.471 50.734 9.906 1.00 0.00 S

ATOM 1810 H CYS 54 21.003 49.989 10.3.081.00 0.00 S

ATOM 1811 N CYS 55 21.765 50-.88514.085 1.00 0.00 S -ATOM 1812 CA CYS 55 21.492 51.763 15.218 1.00 0.00 ATOM 1813 C CYS 55 22.721 52.610 15.429 1.00 0.00 - S

ATOM 1814 O CYS 55 23.745 52.150 15.937 1.00 0.00 S

ATOM 1815 CB CYS 55 21.231 50.953 16.478 1.00 0.00 S

ATOM 1816 SG CYS 55 19.860 49.782 16.322 1.00 0.00 S

1817 H CYS 55 22.076 49.948 14.256 1.00 0.00 S

ATOM N LYS 56 22.656 53.837 14.913 1.00 0.00 S

ATOM 1818 LYS 56 995 54.399 14.851 1.00 0.00 ATOM 1819 CA S 56 . 314 15.993 1.00 0.00 ATOM 1820 C L . .
S

ATOM 1821 O LYS 56 23.440 55.932 16.613 1.00 0.00 S

ATOM 1822 CB LYS 56 24.310 55.007 13.487 1.00 0.00 S

ATOM 1823 CG LYS 56 25.727 54.785 12.940 1.00 0.00 S

ATOM 1824 CD LYS 56 25.996 55.352 11.538 1.00 0.00 S

ATOM 1825 CE LYS 56 25.980 56.883 11.457 1.00 0.00 S

ATOM 1826 NZ LYS 56 27.073 57.393 12.270 1.00 0.00 S

1827 H LYS 56 21.817 54.307 14.651 1.00 0.00 S

ATOM 1828 LYS 56 26.967 57.080 13.245 1.00 0.00 ATO 1829 LYS 56 27.983 57.081 11.884 1.00 0.00 ATOM 1830 LYS 56 27.157 58.420 12.192 1.00 0.00 ATOM N GLY 57 25.614 55.306 16.278 1.00 0.00 S

ATOM 1831 CA GLY 57 202 56.429 16.983 1.00 0.00 ATOM 1832 GLY 57 . 57.120 15.998 1.00 0.00 ATOM 1833 C LY 57 . 56.728 14.830 1.00 0.00 ATOM 1834 0 G 57 . 699 15.751 1.00 0.00 ATOM 1835 H GLY . .

ATOM 1836 N PHE 58 27.742 58.180 16.473 1.00 0.00 S

ATOM 1837 CA PHE 58 28.591 58.838 15.490 1.00 0.00 S

ATOM 1838 C PHE 58 30.081 58.528 15.560 1. 0.00 ATOM 1839 O PHE 58 30.868 58.834 14.663 1.00 0.00 S

ATOM 1840 CB PHE 58 28.223 60.320 15.411 1.00 0.00 S

ATOM 1841 CG PHE 58 26.841 60.454 14.806 1.00 0.00 S

ATOM 1842 CD1PHE 58 25.703 60.480 15.642 1.00 0.00 S

ATOM 1843 CD2PHE 58 26.705 60.524 13.404 1.00 0.00 S

ATOM 1844 CE1PHE 58 24.416 60.545 15.076 1.00 0.00 S

ATOM 1845 CE2PHE 58 25.420 60.586 12.833 1.00 0.00 S

ATOM 1846 CZ PHE 58 24.287 60.589 13.673 1.00 0.00 S

ATOM 1847 H PHE 58 27.581 58.485 17.409 1.00 0.00 S

ATOM 1848 N CYS 59 30.478 57.826 16.642 1.00 0.00 S

ATOM 1849 CA CYS 59 31.859 57.324 16.732 1.00 0.00 S

M 1850 C CYS 59 32.192 56.338 15.628 1.00 0.00 S

ATO O CYS 59 182 56.455 14.900 1.00 0.00 ATOM 1851 59 . 701 18.096 1.00 0.00 ATOM 1852 CB CYS . . 18.379 1.00 0.00 ATOM 1853 SG CYS 59 . .
S

ATOM 1854 H CYS 59 29.761 57.539 17.274 1.00 0.00 S

ATOM 1855 N ILE 60 31.196 55.465 15.429 1.00 0.00 S

ATOM 1856 CA ILE 60 31.219 54.668 14.201 1.00 0.00 S

ATOM 1857 C ILE 60 31.218 55.417 12.869 1.00 0.00 S

ATOM 1858 O ILE 60 30.907 54.805 11.848 1.00 0.00 S

ATOM 1859 CB ILE 60 30.094 53.613 14,127 1.00 0.00 S

ATOM 1860 CG1 60 28.818 53.875 14.936 1.00 0.00 ILE
S

ATOM 1861 CG2 60 30.644 52.208 14.372 1.00 0.00 ILE
S

ATOM 1862 CD1 60 28.838 53.453 16.409 1.00 0.00 ILE
S

ATOM 1863 H ILE 60 30.376 55.530 15.995 1.00 0.00 S

1864 N ASP 61 31.544 56.732 12.867 1.00 0.00 S

ATOM ASP 61 852 57.492 11.650 1.00 0.00 ATOM 1865 CA 61 . 956 11.497 1.00 0.00 ATOM 1866 C ASP . . 10.394 1.00 0.00 ATOM 1867 O ASP 61 . . 484 1.00 0.00 ATOM 1868 CB ASP 61 30.96 . .
S

ATOM 1869 CG ASP 61 29.530 58.403 11.109 1.00 0.00 S

ATOM 1870 OD 1 61 28.655 59.198 11.420 1.00 0.00 ASP
S

ATOM 1871 OD 2 61 29.253 57.372 10.509 1.00 0.00 ASP
S

M 1872 H ASP 61 31.691 57.209 13.731 1.00 0.00 S

ATO 62 058 953 12.606 1.00 0.00 ATOM 1873 N ILE . .
S

SUBSTITUTE SHEET (RULE 26) ATOM 3874 CA ILES 62 35.496 58.27112.580 1.00 0.00 ATOM 1875 C ILES 62 36.340 57.29911.744 1.00 0.00 ATOM 1876 O ILES 62 37.488 57.51211.358 1.00 0.00 ATOM 1877 CB ILES 62 36.024 58.41114.015 1.00 0.00 ATOM 1878 CG1 ILES 62 35.070 59.286-14.830 1.00 0.00 ATOM 1879 CG2 ILES 62 37.427 59.03014.039 1.00 0.00 ATOM 1880 CI71ILES 62 35.288 59.12516.328 1.00 0.00 ATOM 1881 H ILES 62 33.567 57.80313.459 1.00 0.00 ATOM 1882 N LEUS 63 35.637 56.23311.359 1.00 0.00 ATOM 1883 CA LEUS 63 36.072 55.41810.227 1.00 0.00 ATOM 1884 C LEUS 63 36.195 56.1408.868 1.00 0.00 ATOM 1885 O LEUS 63 36.594 55.5667.865 1.00 0.00 ATOM 1886 CB LEUS 63 35.164 54.19210.150 1.00 0.00 ATOM 1887 CG LEUS 63 34.839 53.53511.499 1.00 0.00 ATOM 1888 CD1 LEUS 63 33.760 52.46211.356 1.00 0.00 ATOM 1889 CD2 LEUS 63 36.083 53.02112.225 1.00 0.00 ATOM 1890 H LEUS 63 34.750 56.11411.806 1.00 0.00 ATOM 1891 N LYSS 64 35.891 57.4518.864 1.00 0.00 ATOM 1892 CA LYSS 64 36.354 58.3117.780 1.00 0.00 ATOM 1893 C LYSS 64 37.874 58.3467.711 1.00 0.00 ATOM 1894 O LYSS 64 38.466 57.8406.775 1.00 0.00 ATOM 1895 CB LYSS 64 35.700 59.6867.946 1.00 0.00 ATOM 1896 CG LYSS 64 35.934 60.6956.822 1.00 0.00 ATOM 1897 CD LYSS 64 36.915 61.7987.218 1.00 0.00 ATOM 1898 CE LYSS 64 37.026 62.8576.126 1.00 0.00 ATOM 1899 NZ LYSS 64 37.892 63.9486.577 1.00 0.00 ATOM 1900 H LYSS 64 35.455 57.8159.679 1.00 0.00 ATOM 19D1 1HZ LYSS 64 37.857 64.7055.877 1.00 0.00 ATOM 1902 2HZ LYSS 64 37.597 64.3927.464 1.00 0.00 ATOM 1903 3HZ LYSS 64 38.895 63.6816.624 1.00 0.00 ATOM 1904 N LYSS 65 38.494 58.8878.773 1.00 0.00 ATOM 1905 CA LYSS 65 39.953 58.8318.736 1.00 0.00 ATOM 1906 C LYSS 65 40.567 57.4508.957 1.00 0.00 ATOM 1907 O LYS.S 65 41.660 57.1598.482 1.00 0.00 ATOM 1908 CB LYSS 65 40.523 59.9099.669 1.00 0.00 ATOM 1909 CG LYSS 65 42.023 60.2059.515 1.00 0.00 ATOM 1910 CD LYSS 65 42.470 60.5468.085 1.00 0.00 ATOM 1911 CE LYSS 65 41.774 61.7517.440 1.00 0.00 ATOM 1912 NZ LYSS 65 42.195 63.0338.022 1.00 0.00 ATOM 1913 H LYSS 65 37.974 59.2179.563 1.00 0.00 ATOM 1914 1HZ LYSS 65 43.176 63.2697.774 1.00 0.00 ATOM 1915 2HZ LYSS 65 41.595 63.7997.662 1.00 0.00 ATOM 1916 3HZ LYSS 65 42.124 63.0519.062 1.00 0.00 ATOM 1917 N ILES 66 39.827 56.6219.707 1.00 0.00 ATOM 1918 CA ILES 66 40.422 55.34310.089 1.00 0.00 ATOM 1919 C ILES 66 39.666 54.0909.624 1.00 0.00 ATOM 1920 O ILES 66 39.784 52.98310.162 1.00 0.00 ATOM 1921 CB ILES 66 40.758 55.41111.591 1.00 0.00 ATOM 1922 CG1 ILES 66 42.091 .54.76012.003 1.00 0.00 ATOM 1923 CG2 ILES 66 39.564 54.99612.463 1.00 0.00 ATOM 1924 CD1 ILES 66 42.258 53.24311.869 1.00 0.00 ATOM 1925 H ILES 66 38.911 56.86310.016 1.00 0.00 ATOM 1926 N SERS 67 38.905 54.3248.548 1.00 0.00 ATOM 1927 CA SERS 67 38.711 53.2507.584 1.00 0.00 ATOM 1928 C SERS 67 39.010 53.7126.170 1.00 0.00 ATOM 1929 O SERS 67 40.071 53.4095.626 1.00 0.00 ATOM 1930 CH SERS 67 37.329 52.5747.620 1.00 0.00 ATOM 1931 OG SERS 67 37.056 51.9338.875 1.00 0.00 ATOM 1932 H SERS 67 38.662 55.2558.294 1.00 0.00 ATOM 1933 HG SERS 67 37.868 51.4629.099 1.00 0.00 ATOM 1934 N LYSS 68 38.020 54.4145.583 1.00 0.00 ATOM 1935 CA LYSS 68 37.880 54.4914.123 1.00 0.00 ATOM 1936 C LYSS 68 39.156 54.5443.294 1.00 0.00 ATOM 1937 O LYSS 68 39.326 53.8592.284 1.00 0.00 ATOM 1938 CB LYSS 68 36.928 55.6333.746 1.00 0.00 ATOM 1939 CG LYSS 68 35.531 55.4284.342 1.00 0.00 ATOM 1940 CD LYSS 68 34.492 56.4733.925 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1941 CE LYS S 68 33.127 56.122 4.518 1.00 0.00 ATOM 1942 NZ LYS S 68 32.076 57.027 4.043 1.00 0.00 ATOM 1943 H LYS S 68 37.341 54.831 6.185 1.00 0.00 ATOM 1944 1HZ LYS S 68 31.156 56.671 4.351 1.00 0.00 ATOM 1945 2HZ LYS S 68 32.151 57.989- 4.424 1.00 0.00 ATOM 1946 3HZ LYS S 68 32.042 57.100 3.008 1.00 0.00 ATOM 1947 N~_ SER S 69 40.065 55.396 3.774 1.00 0.00 ATOM 1948 CA SER S 69 41.322 55.450 3.041 1.00 0.00 ATOM 1949 C SER S 69 42.542 54.738 3.613 1.00 0.00 ATOM 1950 O SER S 69 43.448 54.379 2.872 1.00 0.00 ATOM 1951 CB SER S 69 41.630 56.899 2.686 1.00 0.00 ATOM 1952 OG SER S 69 40.435 57.512 2.164 1.00 0.00 ATOM 1953 H SER S 69 39.822 55.929 4.586 1.00 0.00 ATOM 1954 HG SER S 69 40.399 57.215 1.254 1.00 0.00 ATOM 1955 N VAL S 70 42.601 54.547 4.947 1.00 0.00 ATOM 1956 CA VAL S 70 43.942 54.229 5.462 1.00 0.00 ATOM 1957 C VAL S 70 44.476 52.827 5.149 1.00 0.00 ATOM 1958 O VAL S 70 45.528 52.656 4.543 1.00 0.00 ATOM 1959 CB VAL S 70 44.102 54.658 6.938 1.00 0.00 ATOM 1960 CG1 VAL S 70 43.087 54.010 7.874 1.00 0.00 ATOM 1961 CG2 VAL S 70 45.544 54.497 7.429 1.00 0.00 ATOM 1962 H VAL S 70 41.770 54.592 5.510 1.00 0.00 ATOM 1963 N LYS S 71 43.690 51.808 5.499 1.00 0.00 ATOM 1964 CA LYS S 71 44.046 50.563 4.828 1.00 0.00 ATOM 1965 C LYS S 71 43.308 50.461 3.503 1.00 0.00 ATOM 1966 O LYS S 71 42.248 49.869 3.376 1.00 0.00 ATOM 1967 CB LYS S 71 43.858 49.373 5.782 1.00 0.00 ATOM 1968 CG LYS S 71 44.307 48.007 5.254 1.00 0.00 ATOM 1969 CD LYS S 71 44.359 46.943 6.357 1.00 0.00 ATOM 1970 CE LYS S 71 44.691 45.543 5.829 1.00 0.00 ATOM 1971 NZ LYS S 71 45.171 44.696 6.930 1.00 0.00 ATOM 1972 H LYS S 71 42.841 51.884 6.031 1.00 0.00 ATOM 1973 1HZ LYS S 71 46.106 45.031 7.255 1.00 0.00 ATOM 1974 2HZ LYS S 71 44.493 44.713 7.719 1.00 0.00 ATOM 1975 3HZ LYS S 71 45.306 43.707 6.649 1.00 0.00 ATOM 1976 N PHE S 72 43.917 51.105 2.476 1.00 0.00 ATOM 1977 CA PHE S 72 43.299 51.131 1.136 1.00 0.00 ATOM 1978 C PHE S 72 42.816 49.751 0.719 1.00 0.00 ATOM 1979 O PHE S 72 41.671 49.518 0.359 1.00 0.00 ATOM 1980 CB PHE S 72 44.283 51.643 0.075 1.00 0.00 ATOM 1981 CG PHE S 72 44.685 53.081 0.308 1.00 0.00 ATOM 1982 CD1 PHE S 72 45.857 53.367 1.044 1.00 0.00 ATOM 1983 CD2 PHE S 72 43.889 54.117 -0.229 1.00 0.00 ATOM 1984 CE1 PHE S 72 46.240 54.707 1.245 1.00 0.00 ATOM 1985 CE2 PHE S 72 44.272 55.458 -0.031 1.00 0.00 ATOM 1986 CZ PHE S 72 45.444 55.739 0.703 1.00 0.00 ATOM 1987 H PHE S 72 44.694 51.687 2.725 1.00 0.00 ATOM 1988 N THR S 73 43.789 48.848 0.925 1.00 0.00 ATOM 1989 CA THR S 73 43.629 ,47.402 0.812 1.00 0.00 ATOM 1990 C THR S 73 42.765 46.724 1.878 1.00 0.00 ATOM 1991 O THR S 73 43.200 45.773 2.523 1.00 0.00 ATOM 1992 CB THR S 73 45.042 46.785 0.727 1.00 0.00 ATOM 1993 OG1 THR S 73 44.989 45.366 0.568 1.00 0.00 ATOM 1994 CG2 THR S 73 45.959 47.162 1.899 1.00 0.00 ATOM 1995 H THR S 73 44.648 49.225 1.263 1.00 0.00 ATOM 1996 HGl THR S 73 44.616 45.037 1.393 1.00 0.00 ATOM 1997 N TYR S 74 41.520 47.220 1.946 1.00 0.00 ATOM 1998 CA TYR S 74 40.488 46.787 2.891 1.00 0.00 ATOM 1999 C TYR S 74 40.651 47.285 4.324 1.00 0.00 ATOM 2000 O TYR S 74 41.164 46.614 5.212 1.00 0.00 ATOM 2001 CB TYR S 74 40.196 45.270 2.842 1.00 0.00 ATOM 2002 CG TYR S 74 40.053 44.735 1.425 1.00 0.00 ATOM 2003 CDl TYR S 74 40.888 43.670 1.023 1.00 0.00 ATOM 2004 CD2 TYR S 74 39.097 45.288 0.547 1.00 0.00 ATOM 2005 CE1 TYR S 74 40.761 43.142 -0.275 1.00 0.00 ATOM 2006 CE2 TYR S 74 38.976 44.766 -0.754 1.00 0.00 ATOM 2007 CZ TYR S 74 39.807 43.697 -1.152 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2008 OH TYRS 74 39.680 43.188 -2.4391.00 0.00 ATOM 2009 H TYRS 74 41.301 47.970 1.326 1.00 0.00 ATOM 2010 HH TYRS 74 39.485 43.914 -3.0201.00 0.00 ATOM 2011 N ASPS 75 40.130 48.507 4.520 1.00 0-.00 ATOM 2012 CA ASPS 75 39.808 48.925 5.887 1.00 0.00 -ATOM 2013 C ASPS 75 38.309 48.945 6.087 1.00 0.00 ATOM 2014 O'- ASPS 75 37.536 49.635 5.411 1.00 0.00 ATOM 2015 CB ASPS 75 40.418 50.284 6.246 1.00 0.00 ATOM 2016 CG ASPS 75 40.537 50.543 7.752 1.00 0.00 ATOM 2017 OD1 ASPS 75 39.767 50.011 8.554 1.00 0.00 ATOM 2018 OD2 ASPS 75 41.412 51.316 8.135 1.00 0.00 ATOM 2019 H ASPS 75 39.894 49.099 3.752 1.00 0.00 ATOM 2020 N LEUS 76 37.951 48.062 7.019 1.00 0.00 ATOM 2021 CA LEUS 76 36.542 47.886 7.299 1.00 0.00 ATOM 2022 C LEUS 76 36.424 47.455 8.736 1.00 0.00 ATOM 2023 O LEUS 76 37.285 46.747 9.261 1.00 0.00 ATOM 2024 CB LEUS 76 35.928 46.864 6.332 1.00 0.00 ATOM 2025 CG LEUS 76 34.402 46.744 6.410 1.00 0.00 ATOM 2026 CDl LEUS 76 33.698 48.055 6.049 1.00 0.00 ATOM 2027 CD2 LEUS 76 33.886 45.564 5.587 1.00 0.00 ATOM 2028 H LEUS 76 38.643 47.644 7.609 1.00 0.00 ATOM 2029 N TYRS 77 35.325 47.933 9.341 1.00 0.00 ATOM 2030 CA TYRS 77 35.061 47.558 10.7251.00 0.00 ATOM 2031 C TYRS 77 33.813 46.702 10.8441.00 0.00 ATOM 2032 O TYitS 77 32.685 47.112 10.5361.00 0.00 ATOM 2033 CB TYRS 77 34.946 48.805 11.6071.00 0.00 ATOM 2034 CG TYRS 77 36.296 49.301 12.0861.00 0.00 ATOM 2035 CDl TYRS 77 36.511 49.350 13.4771.00 0.00 ATOM 2036 CD2 TYRS 77 37.290 49.716 11.1711.00 0.00 ATOM 2037 CE1 TYRS 77 37.736 49.828 13.9681.00 0.00 ATOM 2038 CE2 TYRS 77 38.520 50.192 11.6601.00 0.00 ATOM 2039 CZ TYRS 77 38.727 50.239 13.0551.00 0.00 ATOM 2040 OH TYRS 77 39.927 50.691 13.5751.00 0.00 ATOM 2041 H TYRS 77 34.713 48.537 8.839 1.00 0.00 ATOM 2042 HH TYRS 77 40.507 50.842 12.8261.00 0.00 ATOM 2043 N LEUS 78 34.078 45.477 11.3141.00 0.00 ATOM 2044 CA LEUS 78 32.970 44.525 11.3541.00 0.00 ATOM 2045 C LEUS 78 32.020 44.622 12.5501.00 0.00 ATOM 2046 O LEUS 78 31.225 43.722 12.8291.00 0.00 ATOM 2047 CB LEUS 78 33.511 43.109 11.1421.00 0.00 ATOM 2048 CG LEUS 78 32.539 42.176 10.4131.00 0.00 ATOM 2049 CD1 LEUS 78 32.153 42.716 9.034 1.00 0.00 ATOM 2050 CD2 LEUS 78 33.081 40.749 10.3371.00 0.00 ATOM 2051 H LEUS 78 35.019 45.229 11.5541.00 0.00 ATOM 2052 N VALS 79 32.099 45.784 13.2371.00 0.00 ATOM 2053 CA VALS 79 31.228 46.163 14.3641.00 0.00 ATOM 2054 C VALS 79 29.849 45.510 14.4501.00 0.00 ATOM 2055 O VALS 79 28.885 46.029 13.8871.00 0.00 ATOM 2056 CB VALS 79 31.128 47.709 14.4181.00 0.00 ATOM 2057 CG1 VALS 79 30.710 48.343 13.0851.00 0.00 ATOM 2058 CG2 VALS 79 30.300 48.202 15.6131.00 0.00 ATOM 2059 H VALS 79 32.785 46.430 12.9051.00 0.00 ATOM 2060 N THRS 80 29.759 44.362 15.1371.00 0.00 ATOM 2061 CA THRS 80 28.472 43.657 15.0921.00 0.00 ATOM 2062 C THRS BO 28.129 42.800 16.3111.00 0.00 ATOM 2063 O THRS 80 27.025 42.894 16.8451.00 0.00 ATOM 2064 CB THRS BO 28.308 42.876 13.7521.00 0.00 ATOM 2065 OG1 THRS 80 27.965 43.767 12.6681.00 0.00 ATOM 2066 CG2 THRS 80 27.295 41.722 13.7841.00 0.00 ATOM 2067 H THRS 80 30.575 44.069 15.6431.00 0.00 ATOM 2068 HGl THRS BO 27.009 43.703 12.5851.00 0.00 ATOM 2069 N ASNS 81 29.065 41.915 16.6931.00 0.00 ATOM 2070 CA ASNS 81 28.573 40.849 17.5821.00 0.00 ATOM 2071 C ASNS 81 28.799 41.169 19.0481.00 0.00 ATOM 2072 O ASNS 81 29.425 40.445 19.8231.00 0.00 ATOM 2073 CB ASNS 81 29.160 39.484 17.1681.00 0.00 ATOM 2074 CG ASNS B1 28.536 38.298 17.9091.00 0.00 SUBSTITUTE SHEET (RULE 26) T

ATOM 2075 ODl ASNS 81 28.817 38.023 19.077 1.00 0.00 ATOM 2076 ND2 ASNS 81 27.751 37.517 17.158 1.00 0.00 ATOM 2077 H ASNS 81 30.038 41.988 16.473 1.00 0.00 ATOM 2078 1HD2ASNS 81 27.297 36.718 17.545 1.00 0.-00 ATOM 2079 ASNS B1 27.640 37.691 16.181 1.00 0.00 ATOM 2080 N GLYS 82 28.297 42.339 19.437 1.00 0.00 ATOM 2081 CA'_GLY S 82 28.789 42.765 20.738 1.00 0.00 ATOM 2082 C GLYS 82 27.848 42.677 21.896 1.00 0.00 ATOM 2083 O GLYS 82 28..002 41.892 22.824 1.00 0.00 ATOM 2084 H GLYS 82 27.810 42.910 18.773 1.00 0.00 ATOM 2085 N LYSS 83 26.857 43.576 21.784 1.00 0.00 ATOM 2086 CA LYSS 83 25.787 43.774 22.760 1.00 0.00 ATOM 2087 C LYSS B3 26.200 43.663 24.222 1.00 0.00 ATOM 2088 O LYSS 83 25.548 43.078 25.085 1.00 0.00 ATOM 2089 CB LYSS 83 24.535 42.979 22.356 1.00 0.00 ATOM 2090 CG LYS5 83 24.014 43.380 20.958 1.00 0.00 ATOM 2091 CD LYSS 83 24.650 42.620 19.780 1.00 0.00 ATOM 2092 CE LYSS 83 24.346 43.191 18.390 1.00 0.00 ATOM 2093 NZ LYSS 83 25.141 44.389 18.097 1.00 0.00 ATOM 2094 H LYSS 83 26.866 44.119 20.944 1.00 0.00 ATOM 2095 1HZ LYSS 83 24.521 45.193 17.870 1.00 0.00 ATOM 2096 2HZ LYSS 83 25.746 44.679 18.891 1.00 0.00 ATOM 2097 3HZ LYSS 83 25.750 44.229 17.268 1.00 0.00 ATOM 2098 N HISS 84 27.360 44.316 24.450 1.00 0.00 ATOM 2099 CA HISS 84 28.034 44.365 25.749 1.00 0.00 ATOM 2100 C HISS 84 28.599 43.039 26.238 1.00 0.00 ATOM 2101 O HISS 84 29.805 42.808 26.324 1.00 0.00 ATOM 2102 CB HISS 84 27.157 45.056 26.812 1.00 0.00 ATOM 2103 CG HISS 84 27.981 45.511 27.993 1.00 0.00 ATOM 2104 NDl HISS 84 28.254 46.804 28.252 1.00 0.00 ATOM 2105 CD2 HISS 84 28.581 44.720 28.978 1.00 0.00 ATOM 2106 CE1 HISS 84 29.023 46.843 29.386 1.00 0.00 ATOM 2107 NE2 HISS 84 29.224 45.554 29.827 1.00 0.00 ATOM 2108 H HISS 84 27.806 44.762 23.671 1.00 0.00 ATOM 2109 HD1 HISS 84 27.928 47.608 27.776 1.00 0.00 ATOM 2110 N GLYS 85 27.700 42.139 26.616 1.00 0.00 ATOM 2111 CA GLYS 85 28.221 40.945 27.251 1.00 0.00 ATOM 2112 C GLYS 85 28.107 41.001 28.758 1.00 0.00 ATOM 2113 O GLYS 85 27.018 40.967 29.323 1.00 0.00 ATOM 2114 H GLYS 85 26.723 42.299 26.492 1.00 0.00 ATOM 2115 N LYSS 86 29.288 40.990 29.407 1.00 0.00 ATOM 2116 CA LYSS 86 29.195 40.412 30.753 1.00 0.00 ATOM 2117 C LYSS B6 29.446 41.218 32.028 1.00 0.00 ATOM 2118 O LYSS 86 29.080 40.709 33.079 1.00 0.00 ATOM 2119 CB LYSS 86 29.919 39.049 30.833 1.00 0.00 ATOM 2120 CG LYSS 86 29.703 38.162 29.596 1.00 0.00 ATOM 2121 CD LYSS 86 30.014 36.667 29.739 1.00 0.00 ATOM 2122 CE LYSS 86 28.920 35.903 30.493 1.00 0.00 ATOM 2123 NZ LYSS 86 29.117 34.452 30.347 1.00 0.00 ATOM 2124 H LYSS 86 30.126 41.167 28.888 1.00 0.00 ATOM 2125 1HZ LYSS 86 30.014 34.140 30.767 1.00 0.00 ATOM 2126 2HZ LYSS 86 28.338 33.952 30.812 1.00 0.00 ATOM 2127 3HZ LYSS 86 29.106 34.182 29.347 1.00 0.00 ATOM 2128 N LYSS 87 30.078 42.417 31.917 1.00 0.00 ATOM 2129 CA LYSS 87 30.596 43.210 33.060 1.00 0.00 ATOM 2130 C LYSS 87 30.162 42.886 34.500 1.00 0.00 ATOM 2131 O LYSS 87 29.480 43.661 35.172 1.00 0.00 ATOM 2132 CB LYSS 87 30.403 44.719 32.780 1.00 0.00 ATOM 2133 CG LYSS 87 31.159 45.733 33.672 1.00 0.00 ATOM 2134 CD LYSS 87 30.624 47.169 33.516 1.00 0.00 ATOM 2135 CE LYSS 87 31.132 48.194 34.550 1.00 0.00 ATOM 2136 NZ LYSS 87 32.417 48.801 34.171 1.00 0.00 ATOM 2137 H LYSS 87 30.234 42.768 30.995 1.00 0.00 ATOM 2138 1HZ LYSS 87 33.097 48.092 33.826 1.00 0.00 ATOM 2139 2HZ LYSS 87 32.295 49.571 33.489 1.00 0.00 ATOM 2140 3HZ LYSS 87 32.918 49.219 34.984 1.00 0.00 ATOM 2141 N ILES BB 30.636 41.743 34.993 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2142CA ILE 88 30.224 41.41936.352 1.00 0.00 S

ATOM 2143C ILE 88 31.419 41.18637.247 1.00 0.00 S

ATOM 2144O ILE 88 32.209 40.27637.032 1.00 0.00 S

ATOM 2145CB ILE 88 29.196 40.26636.375 1.00 0:00 S

ATOM 2146CG1 ILE 88 28.674 40.002-37.7921.00 0.00 S

ATOM 2147CG2 ILE 88 29.744 38.98035.736 1.00 0.00 S

ATOM 2148CD1 ILE 88 27.537 38.97937.835 1.00 0.00 S

ATOM 2149H ILE 88 31.277 41.17634.475 1.00 0.00 S

ATOM 2150N ASN 89 31.525 42.10138.234 1.00 0.00 S

ATOM 2151CA ASN 89 32.584 42.01039.251 1.00 0.00 S

ATOM 2152C ASN 89 33.952 41.60638.725 1.00 0.00 S

ATOM 2153O ASN 89 34.384 40.45738.825 1.00 0.00 S

ATOM 2154CB ASN 89 32.139 41.08640.384 1.00 0.00 S

ATOM 2155CG ASN 89 33.057 41.24241.577 1.00 0.00 ATOM 2156ODl ASN 89 32.886 42.11742.412 1.00 0.00 S

ATOM 2157ND2 ASN 89 33.980 40.28341.684 1.00 0.00 S

ATOM 2158H ASN 89 30.794 42.76438.394 1.00 0.00 S

ATOM 21591HD2ASN 89 34.456 40.10242.547 1.00 0.00 S

ATOM 21602HD2ASN 89 34.199 39.75940.856 1.00 0.00 S

ATOM 2161N GLY 90 34.576 42.59538.078 1.00 0.00 S

ATOM 2162CA GLY 90 35.815 42.29137.371 1.00 0.00 S

ATOM 2163C GLY 90 35.621 41.63436.014 1.00 0.00 S

ATOM 2164O GLY 90 36.040 42.13934.975 1.00 0.00 S

ATOM 2165H GLY 90 34.200 43.51538.133 1.00 0.00 S

ATOM 2166N THR 91 34.994 40.44836.028 1.00 0.00 S

ATOM 2167CA THR 91 35.062 39.72134.762 1.00 0.00 S

ATOM 2168C THR 91 34.222 40.28433.626 1.00 0.00 S

ATOM 2169O THR 91 33.133 40.83433.774 1.00 0.00 S

ATOM 2170CB THR 91 34.878 38.20534.938 1.00 0.00 S

ATOM 2171OG1 THR 91 35.310 37.51233.754 1.00 0.00 S

ATOM 2172CG2 THR 91 33.455 37.79435.323 1.00 0.00 S

ATOM 2173H THR 91 34.509 40.12036.842 1.00 0.00 S

ATOM 2174HG1 THR 91 35.558 36.65034.082 1.00 0.00 S

ATOM 2175N TRP 92 34.830 40.15432.448 1.00 0.00 S

ATOM 2176CA TRP 92 34.259 40.80131.285 1.00 0.00 S

ATOM 2177C TRP 92 34.705 40.05830.048 1.00 0.00 S

ATOM 2178O TRP 92 35.885 39.88829.773 1.00 0.00 S

ATOM 2179CB TRP 92 34.691 42.27231.269 1.00 0.00 S

ATOM 2180CG TRP 92 33.779 43.15130.443 1.00 0.00 S

ATOM 2181CD1 TRP 92 32.956 42.78429.365 1.00 0.00 S

ATOM 2182CD2 TRP 92 33.603 44.57730.582 1.00 0.00 S

ATOM 2183NE1 TRP 92 32.311 43.85928.844 1.00 0.00 S

ATOM 2184CE2 TRP 92 32.686 44.99029.559 1.00 0.00 S

ATOM 2185CE3 TRP 92 34.137 45.53031.475 1.00 0.00 S

ATOM 2186CZ2 TRP 92 32.336 46.35229.441 1.00 0.00 ATOM 2187CZ3 TRP 92 33.773 46.88931.346 1.00 0.00 S

ATOM 2188CH2 TRP 92 32.881 47.29930.332 1.00 0.00 S

ATOM 2189H TRP 92 35.709 39.67732.374 1.00 0.00 S

ATOM 2190HE1 TRP 92 31.630 43.83728.131 1.00 0.00 S

ATOM 2191N ASN 93 33.685 39.60829.315 1.00 0.00 S

ATOM 2192CA ASN 93 33.914 39.13127.955 1.00 0.00 S

ATOM 2193C ASN 93 32.703 39.55227.144 1.00 0.00 S

ATOM 2194O ASN 93 31.717 39.99627.737 1.00 0.00 S

ATOM 2195CB ASN 93 34.249 37.62527.890 1.00 0.00 S

ATOM 2196CG ASN 93 35.160 37.40526.690 1.00 0.00 S

ATOM 2197OD1 93 35.373 38.31825.910 1.00 0.00 ASN
S

ATOM 2198ND2 93 35.666 36.17626.526 1.00 0.00 ASN
S

ATOM 2199H ASN 93 32.758 39.84029.600 1.00 0.00 S

ATOM 22001HD2 93 36.149 35.98525.664 1.00 0.00 ASN
S

ATOM 22012HD2 93 35.624 35.4602?.220 1.00 0.00 ASN
S

ATOM 2202N GLY 94 32.808 39.46425.814 1.00 0.00 S

ATOM 2203CA GLY 94 31.973 40.34725.005 I.00 0.00 S

ATOM 2204C GLY 94 32.818 41.58324.815 1.00 0.00 S

ATOM 2205O GLY 94 34.015 41.44924.583 1.00 0.00 S

ATOM 2206H GLY 94 33.653 39.08225.431 1.00 0.00 S

ATOM 2207N MET 95 32.195 42.75225.042 1.00 0.00 S

ATOM 2208CA MET 95 32.857 44.06624.990 1.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 2209 C MET 95 34.317 44.143 25.4421.00 0.00 S

ATOM 2210 0 MET 95 35.210 43.765 24.6881.00 0.00 S

ATOM 2211 CB MET 95 31.980 45.121 25.6601.00 0.00 S

ATOM 2212 CG MET 95 32.230 46.508'25.08_41.00 0:00 S

ATOM 2213 SD MET 95 31.331 47..785.25.9591.00 0.00 S

ATOM 2214 CE MET 95 31.657 49.096 24.7731.00 0.00 S

ATOM 2215 H MET 95 31.197 42.708 25.0761.00 0.00 -- S

ATOM 2216 N ILE 96 34.598 44.584 26.6891.00 0.00 S

ATOM 2217 CA ILE 96 36..025 44.470 27.0191.00 0.00 S

ATOM 2218 C ILE 96 36.445 43.172 27.6911.00 0.00 S

ATOM 2219 O ILE 96 36.810 43.005 28.8581.00 0.00 S

ATOM 2220 CH ILE 96 36.673 45.750 27.5771.00 0.00 S

ATOM 2221 CG1ILE 96 36.366 46.085 29.0291.00 0.00 S

ATOM 2222 CG2iLE 96 36.308 46.914 26.6511.00 0.00 S

ATOM 2223 CD1ILE 96 37.564 45.875 29.9621.00 0.00 S

ATOM 2224 H ILE 96 33.920 44.894 27.3551.00 0.00 S

ATOM 2225 N GLY 97 36.352 42.217 26.7611.00 0.00 S

ATOM 2226 CA GLY 97 36.918 40.893 26.8911.00 0.00 S

ATOM 2227 C GLY 97 37.509 40.450 25.5661.00 0.00 S

ATOM 2228 O GLY 97 38.583 39.866 25.5381.00 0.00 S

ATOM 2229 H GLY 97 35.918 42.463 25.8961.00 0.00 S

ATOM 2230 N GLU 98 36.781 40.754 24.4761.00 0.00 S

ATOM 2231 CA GLU 98 37.325 40.390 23.1591.00 0.00 S

ATOM 2232 C GLU 98 37.934 41.541 22.3791.00 0.00 S

ATOM 2233 O GLU 98 38.792 41.391 21.5041.00 0.00 S

ATOM 2234 CB GLU 98 36.308 39.619 22.3121.00 0.00 S

ATOM 2235 CG GLU 98 35.821 38.279 22.8951.00 0.00 S

ATOM 2236 CD GLU 98 36.921 37.228 23.0561.00 0.00 S

ATOM 2237 OE1GLU 98 37.990 37.514 23.5711.00 0.00 S

ATOM 2238 OE2GLU 98 36.721 36.084 22.6791.00 0.00 S

ATOM 2239 H GLU 98 35.914 41.243 24.5471.00 0.00 S

ATOM 2240 N VAL 99 37.528 42.743 22.8271.00 0.00 S

ATOM 2241 CA VAL 99 38.400 43.910 22.6941.00 0.00 S

ATOM 2242 C VAL 99 39.758 43.639 23.3131.00 0.00 S

ATOM 2243 O VAL 99 40.801 43.995 22.7771.00 0.00 S

ATOM 2244 CB VAL 99 37.751 45.135 23.3621.00 0.00 S

ATOM 2245 CG1VAL 99 38.635 46.376 23.4381.00 0.00 S

ATOM 2246 CG2VAL 99 36.476 45.504 22.6341.00 0.00 S

ATOM 2247 H VAL 99 36.6'66 42.786 23.3271.00 0.00 S

ATOM 2248 N VAL 100 39.682 42.979 24.4831.00 0.00 S

ATOM 2249 CA VAL 100 40.964 42.612 25.0681.00 0.00 S

ATOM 2250 C VAL 100 41.689 41.581 24.2211.00 0.00 S

ATOM 2251 O VAL 100 42.804 41.792 23.7451.00 0.00 S

ATOM 2252 CB VAL 100 40.770 42.146 26.5211.00 0.00 S

ATOM 2253 CGlVAL 100 42.077 41.704 27.1831.00 0.00 S

ATOM 2254 CG2VAL 100 40.078 43.233 27.3451.00 0.00 S

ATOM 2255 H VAL 100 38.843 42.485 24.6901.00 0.00 S

ATOM 2256 N MET 101 41.014 40.439 24.0511.00 0.00 S

ATOM 2257 CA MET 101 41.773 39.285 23.5871.00 0.00 S

ATOM 2258 C MET 101 41.785 38.998 22.0871.00 0.00 S

ATOM 2259 0 MET 101 42.147 37.893 21.6781.00 0.00 S

ATOM 2260 CB MET 101 41.340 38.052 24.3851.00 0.00 S

ATOM 2261 CG MET 101 41.444 38.210 25.9021.00 0.00 S

ATOM 2262 SD MET 101 40.618 36.895 26.8161.00 0.00 S

ATOM 2263 CE MET 101 40.945 37.516 28.4731.00 0.00 S

ATOM 2264 H MET 101 40.058 40.317 24.3181.00 0.00 S

ATOM 2265 N LYS 102 41.411 40.018 21.2871.00 0.00 S

ATOM 2266 CA LYS 102 41.495 40.002 19.8161.00 0.00 S

ATOM 2267 C LYS 102 40.327 39.461 18.9821.00 0.00 S

ATOM 2268 O LYS 102 40.429 39.462 17.7571.00 0.00 S

ATOM 2269 CB LYS 102 42.803 39.405 19.2431.00 0.00 S

ATOM 2270 CG LYS 102 44.067 40.274 19.1331.00 0.00 S

ATOM 2271 CD LYS 102 44.668 40.782 2b.4451.00 0.00 S

ATOM 2272 CE LYS 102 46.113 41.295 20.3131.00 0.00 S

ATOM 2273 NZ LYS 102 46.232 42.437 19.3971.00 0.00 S

ATOM 2274 H LYS 102 40.993 40.810 21.7371.00 0.00 S

ATOM 2275 1HZLYS 102 46.207 42.188 18.3931.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 2276 2HZLYS S 102 45.462 43.106 19.5741.00 0.00 ATOM 2277 3HZLYS S I02 47.111 42.974 19.5531.00 0.00 ATOM 2278 N ARG S 103 39.217 39.008 19.6221.00 0.00 ATOM 2279 CA ARG S 103 38.109 38.662 18.6951.00 0-.00 ATOM 2280 C ARG S 103 37.309 39.852 18.1891.00 0.00 _ ATOM 2281 O ARG S 103 36.414 39.791 17.3421.00 0.00 ~

ATOM 2282 CB_ARG S 103 37.114 37.664 19.2851.00 0.00 ATOM 2283 CG ARG S 103 37.184 36.247 18.7071.00 0.00 ATOM 2284 CD ARG S 103 38.468 35.519 19.0931.00 0.00 ATOM 2285 NE ARG S 103 38.659 35.620 20.5341.00 0.00 ATOM 2286 CZ ARG S 103 39.883 35.744 21.0721.00 0.00 ATOM 2287 NHlARG S 103 39.985 36.000 22.3631.00 0.00 ATOM 2288 NH2ARG S 103 40.978 35.601 20.3311.00 0.00 ATOM 2289 H ARG S 103 39.076 39.256 20.5831.00 0.00 ATOM 2290 HE ARG S 103 37.864 35.691 21.1401.00 0.00 ATOM 2291 1HH1ARG S 103 40.875 36.036 22.8101.00 0.00 ATOM 2292 2HH1ARG S 103 39.160 36.205 22.9041.00 0.00 ATOM 2293 1HH2ARG S 103 41.880 35.743 20.7361.00 0.00 ATOM 2294 2HH2ARG S 103 40.910 35.341 19.3711.00 0.00 ATOM 2295 N ALA S 104 37.640 40.956 18.8441.00 0.00 ATOM 2296 CA ALA S 104 37.459 42.257 18.2561.00 0.00 ATOM 2297 C ALA S 104 38.844 42.870 18.2681.00 0.00 ATOM 2298 O ALA S 104 39.852 42.217 18.5501.00 0.00 ATOM 2299 CB ALA S 104 36.519 43.064 19.1501.00 0.00 ATOM 2300 H ALA S 104 38.285 40.937 19.6001.00 0.00 ATOM 2301 N TYR S 105 38.891 44.173 18.0341.00 0.00 ATOM 2302 CA TYR S 105 40.010 44.884 18.6541.00 0.00 ATOM 2303 C TYR S 105 39.500 45.917 19.6291.00 0.00 ATOM 2304 O TYR S 105 40.045 46.169 20.7071.00 0.00 ATOM 2305 CB TYR S 105 40.911 45.557 17.6131.00 0.00 ATOM 2306 CG TYR S 205 42.225 44.824 17.4381.00 0.00 ATOM 2307 CD1TYR S 105 43.430 45.532 17.6251.00 0.00 ATOM 2308 CD2TYR S 105 42.219 43.463 17.0751.00 0.00 ATOM 2309 CE1TYR S 105 44.655 44.869 17.4351.00 0.00 ATOM 2310 CE2TYR S 105 43.438 42.800 16.8801.00 0.00 ATOM 2311 CZ TYR S 105 44.640 43.509 17.0651.00 0.00 ATOM 2312 OH TYR S 105 45.834 42.830 16.8731.00 0.00 ATOM 2313 H TYR S 105 38.081 44.613 17.6421.00 0.00 ATOM 2314 HH TYR S 105 45.859 42.729 15.9101.00 0.00 ATOM 2315 N MET S 106 38.409 46.532 19.1641.00 0.00 ATOM 2316 CA MET S 106 37.808 47.670 19.8411.00 0.00 ATOM 2317 C MET S 106 36.321 47.357 19.9172.00 0.00 ATOM 2318 O MET S 106 35.887 46.281 19.4981.00 0.00 ATOM 2319 CB MET S 106 38.217 48.908 19.0221.00 0.00 ATOM 2320 CG MET S 106 37.806 50.308 19.4791.00 0.00 ATOM 2321 SD MET S 106 36.146 50.688 18.9131.00 0.00 ATOM 2322 CE MET S 106 36.071 52.429 19.3411.00 0.00 ATOM 2323 H MET S 106 37.994 46.188 18.3251.00 0.00 ATOM 2324 N ALA S 107 35.536 48.288 20.4521.00 0.00 ATOM 2325 CA ALA S 107 34.101 48.085 20.4061.00 0.00 ATOM 2326 C ALA S 107 33.394 49.358 20.0281.00 0.00 ATOM 2327 O ALA S 107 32.969 50.113 20.8971.00 0.00 ATOM 2328 CH ALA S 107 33.576 47.623 21.7631.00 0.00 ATOM 2329 H ALA S 107 35.914 49.133 20.8151.00 0.00 ATOM 2330 N VAL S 108 33.276 49.603 18.7021.00 0.00 ATOM 2331 CA VAL S 108 32.669 50.875 18.2911.00 0.00 ATOM 2332 C VAL S 108 31.159 50.983 18.4401.00 0.00 ATOM 2333 O VAL S 108 30.371 50.829 17.5131.00 0.00 ATOM 2334 CB VAL S 108 33.062 51.375 16.8881.00 0.00 ATOM 2335 CG1 S 108 33.193 52.899 16.9511.00 0.00 VAL

ATOM 2336 CG2 S 108 34.302 50.750 16.2551.00 0.00 VAL

ATOM 2337 H VAL S 108 33.465 48.889 18.0291.00 0.00 ATOM 2338 N GLY S 109 30.836 51.336 19.6791.00 0.00 ATOM 2339 CA GLY S 109 29.671 52.088 20.1101.00 0.00 ATOM 2340 C GLY S 109 30.294 53.008 21.1341.00 0.00 ATOM 2341 O GLY 109 30.534 52.655 22.2881.00 0.00 S

ATOM 2342 H GLY 109 31.519 51.179 20.3871.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 2343 N SERS 110 30.726 54.175 20.6181.00 0.00 ATOM 2344 CA SERS 110 31.449 55.193 21.4021.00 0.00 ATOM 2345 C SERS 110 32.482 54.744 22.4631.00 0.00 ATOM 2346 O SERS 110 32.328 55.013 23.6571.00 0.'00 ATOM 2347 CB SER~S 110 30.399 56.169 21.9571.00 0.00 ATOM 2348 OG SERS 110 29.093 55.557 22.0601.00 0.00 ATOM 2349 H SERS 110 30.367 54.350 19.7031.00 0.00 '_ ATOM 2350 HG SERS 110 28.490 56.303 22.1531.00 0.00 ATOM 2351 N LEUS 111 33..514 53.991 22.0121.00 0.00 ATOM 2352 CA LEUS 111 34.325 53.379 23.0691.00 0.00 ATOM 2353 C LEUS 111 35.268 54.280 23.8451.00 0.00 ATOM 2354 O LEUS 111 36.461 54.438 23.5921.00 0.00 ATOM 2355 CB LEUS 111 35.065 52.117 22.6361.00 0.00 ATOM 2356 CG LEUS 111 34.807 50.912 23.5451.00 0.00 ATOM 2357 CDl LEUS 111 35.848 49.828 23.3311.00 0.00 ATOM 2358 CD2 LEUS 111 34.738 51.251 25.0251.00 0.00 ATOM 2359 H LEUS 111 33.819 54.048 21.0651.00 0.00 ATOM 2360 N THRS 112 34.626 54.832 24.8701.00 0.00 ATOM 2361 CA THRS 112 35.300 55.570 25.9151.00 0.00 ATOM 2362 C THRS 112 36.276 54.654 26.6371.00 0.00 ATOM 2363 O THRS 112 35.969 53.500 26.9641.00 0.00 ATOM 2364 CB THRS 112 34.217 56.087 26.8701.00 0.00 ATOM 2365 OG1 THRS 112 33.113 56.693 26.1661.00 0.00 ATOM 2366 CG2 THRS 112 34.769 57.059 27.9061.00 0.00 ATOM 2367 H THRS 112 33.654 54.621 24.9291.00 0.00 ATOM 2368 HG1 THRS 112 32.995 56.265 25.3111.00 0.00 ATOM 2369 N ILES 113 37.454 55.227 26.9001.00 0.00 ATOM 2370 CA ILES 113 38.306 54.549 27.8691.00 0.00 ATOM 2371 C ILES 113 37.648 54.737 29.2091.00 0.00 ATOM 2372 O ILES 113 37.318 55.871 29.5481.00 0.00 ATOM 2373 CB ILES 113 39.718 55.145 27.9431.00 0.00 ATOM 2374 CG1 ILES 113 40.132 55.962 26.7161.00 0.00 ATOM 2375 CG2 ILES 113 40.695 54.003 28.2191.00 0.00 ATOM 2376 CDl ILES 113 41.513 56.606 26.8531.00 0.00 ATOM 2377 H ILES 113 37.599 56.180 26.6301.00 0.00 ATOM 2378 N ASNS 114 37.418 53.635 29.8931.00 0.00 ATOM 2379 CA ASNS 114 37.164 53.774 31.3091.00 0.00 ATOM 2380 C ASNS 114 38.264 52.970 31.9381.00 0.00 ATOM 2381 O ASNS 114 38.773 52.034 31.3301.00 0,00 ATOM 2382 CB ASNS 114 35.786 53.239 31.6861.00 0.00 ATOM 2383 CG ASNS 114 35.586 53.427 33.1741.00 0.00 ATOM 2384 OD1 ASNS 114 35.954 52.594 33.9991.00 0.00 ATOM 2385 ND2 ASNS 114 34.980 54.567 33.5081.00 0.00 ATOM 2386 H ASNS 114 37.746 52.766 29.5451.00 0.00 ATOM 2387 1HD2ASNS 114 34.831 54.749 34.4821.00 0.00 ATOM 2388 2HD2ASNS 114 34.614 55.246 32.8611.00 0.00 ATOM 2389 N GLUS 115 38.621 53.398 33.1341.00 0.00 ATOM 2390 CA GLUS 115 39.642 52.804 33.9851.00 0.00 ATOM 2391 C GLUS 115 39.789 51.280 33.8851.00 0.00 ATOM 2392 O GLUS 115 40.882 50.756 33.6891.00 0.00 ATOM 2393 CB GLUS 115 39.424 53.334 35.4131.00 0.00 ATOM 2394 CG GLUS 115 39.676 54.851 35.6331.00 0.00 ATOM 2395 CD GLUS 115 38.686 55.798 34.9401.00 0.00 ATOM 2396 OE1 GLUS 115 39.083 56.860 34.4731.00 0.00 ATOM 2397 OE2 GLUS 115 37.502 55.497 34.8541.00 0.00 ATOM 2398 H GLUS 115 38.210 54.266 33.3931.00 0.00 ATOM 2399 N GLUS 116 38.642 50.571 33.9321.00 0.00 ATOM 2400 CA GLUS 116 38.696 49.111 33.7331.00 0.00 ATOM 2401 C GLUS 116 39.407 48.667 32.4581.00 0.00 ATOM 2402 O GLUS 116 40.285 47.811 32.4221.00 0.00 ATOM 2403 CB GLUS 116 37.284 48.535 33.7581.00 0.00 ATOM 2404 CG GLUS 116 36.635 48.654 35.1381.00 0.00 ATOM 2405 CD GLU 116 35.162 48.298 35.0781.00 0.00 S

ATOM 2406 OEl 116 34.739 47.518 34.2341.00 0.00 GLU
S

ATOM 2407 OE2 116 34.401 48.821 35.8761.00 0.00 GLU
S

ATOM 2408 H GLU 116 37.804 51.106 34.0341.00 0.00 S

ATOM 2409 N ARG 117 38.996 49.363 31.4031.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 2410 CA ARG 117 39.587 49.21530.082 1.00 0.00 S

ATOM 2411 C ARG 117 41.050 49.64530.018 1.00 0.00 S

ATOM 2412 O ARG 117 41.901 48.930.29.502 1.00 0.00 S

ATOM 2413 CB ARG 117 38.705 49.98629.087 1.00 0.00 S

ATOM 2414 CG ARG 117 37,222 49.60629.214 1.00 0.00 S

ATOM 2415 CD ARG 117 36.226 50.51828.493 1.00 0.00 S

ATOM 2416 _ -ARG 117 34.939 49.83928.298 1.00 0.00 NE S

ATOM 2417 CZ ARG 117 33.769 50.50728.168 1.00 0.00 S

ATOM 2418 NHl ARG 117 33,731 51.81428.416 1.00 0.00 S

ATOM 2419 NH2 ARG 117 32.668 49.85727.790 1.00 0.00 S

ATOM 2420 H ARG 117 38.326 50.06731.617 1.00 0.00 S

ATOM 2421 HE ARG 117 34.980 48.87728.002 1.00 0.00 S

ATOM 2422 ARG 117 32.881 52.33028.323 1.00 0.00 ATOM 2423 ARG 117 34.551 52.31028.707 1.00 0.00 ATOM 2424 ARG 117 31.805 50.33027.578 1.00 0.00 ATOM 2425 ARG 117 32.682 48.86327.646 1.00 0.00 ATOM 2426 N SER 118 41.300 50.84330.577 1.00 0.00 S ' ATOM 2427 CA SER 118 42.533 51.59730.326 1.00 0.00 S

ATOM 2428 C SER 118 43.838 50.85830.061 1.00 0.00 S

ATOM 2429 O SER 118 44.394 50.93728.968 1.00 0.00 S

ATOM 2430 CB SER 118 42.737 52.66131.409 1.00 0.00 S

ATOM 2431 OG SER 118 41.610 53.55231.456 1.00 0.00 S

ATOM 2432 H SER 118 40.562 51.30631.065 1.00 0.00 S

ATOM 2433 HG SER 118 41.576 53.85432.364 1.00 0.00 S

ATOM 2434 N GLU 119 44.324 50.17131.092 1.00 0.00 S

ATOM 2435 CA GLU 119 45.704 49.74630.889 1.00 0.00 S

ATOM 2436 C GLU 119 45.889 48.41830.177 1.00 0.00 S

ATOM 2437 O GLU 119 46.963 48.06329.678 1.00 0.00 S

ATOM 2438 CB GLU 119 46.517 49.94032.175 1.00 0.00 S

ATOM 2439 CG GLU 119 47.973 50.39931.957 1.00 0.00 S

ATOM 2440 CD GLU 119 48.106 51.65131.083 1.00 0.00 S

ATOM 2441 OE1 GLU 119 49.157 51.84130.482 1.00 0.00 S

ATOM 2442 OE2 GLU 119 47.169 52.43130.934 1.00 0.00 S

ATOM 2443 H GLU 119 43.807 49.95431.913 1.00 0.00 S

ATOM 2444 N VAL 120 44.745 47.72630.070 1.00 0.00 S

ATOM 2445 CA VAL 120 44.774 46.73429.010 1.00 0.00 S

ATOM 2446 C VAL 120 44.346 47.36827.695 1.00 0.00 S

ATOM 2447 O VAL 120 45.151 47.73326.837 1.00 0.00 S

ATOM 2448 CB VAL 120 43.938 45.49529.358 1.00 0.00 S

ATOM 2449 CG1 VAL 120 44.258 44.36428.379 1.00 0.00 S

ATOM 2450 CG2 VAL 120 44.149 45.05130.808 1.00 0.00 S

ATOM 2451 H VAL 120 43.902 48.07430.466 1.00 0.00 S

ATOM 2452 N VAL 121 43.030 47.50327.544 1.00 0.00 S

ATOM 2453 CA VAL 121 42.565 48.17226.338 1.00 0.00 S

ATOM 2454 C VAL 121 42.345 49.67326.472 1.00 0.00 S

ATOM 2455 O VAL 121 41.301 50.16126.885 1.00 0.00 S

ATOM 2456 CB VAL 121 41.345 47.42825.798 1.00 0.00 S

ATOM 2457 CGI 121 41.817 46.08625.256 1.00 0.00 VAL
S

ATOM 2458 CG2 121 40.247 47.21626.845 1.00 0.00 VAL
S

ATOM 2459 H VAL 121 42.455 47.37028.351 1.00 0.00 S

ATOM 2460 N ASP 122 43.393 50.43426.088 1.00 0.00 S

ATOM 2461 CA ASP 122 43.110 51.88126.053 1.00 0.00 S

ATOM 2462 C ASP 122 42.550 52.31724.721 1.00 0.00 S

ATOM 2463 O ASP 122 42.641 51.55623.757 1.00 0.00 S

ATOM 2464 CB ASP 122 44.313 52.75826.437 1.00 0.00 S

ATOM 2465 CG ASP 122 45.453 52.64025.447 1.00 0.00 S

ATOM 2466 OD1 46.487 52.11625.807 1.00 0.00 ASP
S

ATOM 2467 OD2 45.336 53.06424.308 1.00 0.00 ASP
S

ATOM 2468 H ASP 44.282 50.06925.796 1.00 0.00 S

ATOM 2469 N PHE 41.993 53.54724.697 1.00 0.00 S

ATOM 2470 CA PHE 41.268 54.03923.515 1.00 0.00 S

ATOM 2471 C PHE 41.718 55.41923.014 1.00 0.00 S

ATOM 2472 O PHE 42.872 55.59322.645 1.00 0.00 S

ATOM 2473 CB PHE 39.749 53.91623.728 1.00 0.00 S

ATOM 2474 CG PHE 39.375 52.48424.036 1.00 0.00 S

ATOM 2475 CD1 38.868 52.16925.313 1.00 0.00 PHE
S

ATOM 2476 CD 2 39.571 51.48223.061 1.00 0.00 PHE
S

SUBSTITUTE SHEET (RULE 26) ATOM 2477 CEl PHES 123 38.623 50.825 25.6441.00 0.00 ATOM 2478 CE2 PHES 123 39.341 50.135 23.3931.00 0.00 ATOM 2479 CZ PHES 123 38.899 49.821 24.6951.00 0.00 ATOM 2480 H PHES 123 42.230 54.14 25.4581.00 0:00 ATOM 2481 N SERS 124 40.819 56.421 22.9931.00 0.00 ATOM 2482 CA SERS 124 41.293 57.746 22.5491.00 0.00 ATOM 2483 C SERS 124 40.611 58.862 23.3421.00 0.00 -ATOM 2484 O SERS 124 39.888 58.536 24.2801.00 0.00 ATOM 2485 CB SERS 124 41_.114 57.915 21.0291.00 0.00 ATOM 2486 OG SERS 124 41.090 56.631 20.3651.00 0.00 ATOM 2487 H SERS 124 39.890 56.344 23.3491.00 0.00 ATOM 2488 HG SERS 124 40.602 56.77$ 19.5451.00 0.00 ATOM 2489 N VALS 125 40.865 60.149 22.9801.00 0.00 ATOM 2490 CA VALS 125 40.213 61.303 23.6271.00 0.00 ATOM 2491 C VALS 125 39.596 62.344 22.6581.00 0.00 ATOM 2492 O VALS 125 38.381 62.563 22.6541.00 0.00 ATOM 2493 CB VALS 125 41.126 61.973 24.6901.00 0.00 ATOM 2494 CG1 VALS 125 40.380 63.049 25.4831.00 0.00 ATOM 2495 CG2 VALS 125 41.806 60.972 25.6271.00 0.00 ATOM 2496 H VALS 125 41.430 60.323 22.1741.00 0.00 ATOM 2497 N PROS 126 40.429 62.992 21.7861.00 0.00 ATOM 2498 CA PROS 126 39.826 63.961 20.8631.00 0.00 ATOM 2499 C PROS 126 39.340 63.286 19.5871.00 0.00 ATOM 2500 O PROS 126 39.568 63.747 18.4721.00 0.00 ATOM 2501 CB PROS 126 41.003 64.906 20.6201.00 0.00 ATOM 2502 CG PROS 126 42.218 63.979 20.5681.00 0.00 ATOM 2503 CD PROS 126 41.881 62.911 21.6031.00 0.00 ATOM 2504 N PHES 127 38.733 62.102 19.7741.00 0.00 ATOM 2505 CA PHES 127 38.023 61.532 18.6331.00 0.00 ATOM 2506 C PHES 127 36.675 62.227 18.5701.00 0.00 ATOM 2507 O PHES 127 36.625 63.439 18.3991.00 0.00 ATOM 2508 CH PHES 127 37.960 60.009 18.7851.00 0.00 ATOM 2509 CG PHES 127 39.062 59.310 18.0181.00 0.00 ATOM 2510 CD1 PHES 127 38.733 58.138 17.3061.00 0.00 ATOM 2511 CD2 PHES 127 40.385 59.811 18.0201.00 0.00 ATOM 2512 CE1 PHES 127 39.730 57.459 16.5821.00 0.00 ATOM 2513 CE2 PHES 127 41.382 59.130 17.2961.00 0.00 ATOM 2514 CZ PHES 127 41.047 57.961 16.5841.00 0.00 ATOM 2515 H PHE5 127 38.465 61.883 20.7091.00 0.00 ATOM 2516 N TLES 128 35.590 61.984 18.7901.00 0.00 ATOM 2517 CA ILES 128 34.401 62.192 19.2521.00 0.00 ATOM 2518 C ILES 128 34.491 62.472 20.7611.00 0.00 ATOM 2519 O ILES 128 35.385 61.963 21.4561.00 0.00 ATOM 2520 CH ILES 128 33.185 61.375 18.7721.00 0.00 ATOM 2521 CG1 ILES 128 31.825 62.065 18.8291.00 0.00 ATOM 2522 CG2 ILES 128 33.147 60.019 19.4681.00 0.00 ATOM 2523 CD1 ILES 128 30.728 61.230 18.1751.00 0.00 ATOM 2524 H ILE:~128 35.585 60.492 18.7381.00 0.00 ATOM 2525 N GLUS 129 33.558 63.333 21.2321.00 0.00 ATOM 2526 CA GLUS 129 33.604 64.060 22.5141.00 0.00 ATOM 2527 C GLUS 129 34.345 63.473 23.6961.00 0.00 ATOM 2528 O GLUS 129 34.524 62.260 23.8381.00 0.00 ATOM 2529 CB GLUS 129 32.226 64.478 23.0531.00 0.00 ATOM 2530 CG GLUS 129 31.044 64.524 22.0871.00 0.00 ATOM 2531 CD GLUS 129 30.383 63.163 21.9211.00 0.00 ATOM 2532 OE1 GLUS 129 29.322 63.122 21.3301.00 0.00 ATOM 2533 OE2 GLUS 129 30.890 62.139 22.3651.00 0.00 ATOM 2534 H GLUS 129 32.835 63.548 20.5761.00 0.00 ATOM 2535 N THRS 130 34.739 64.433 24.5511.00 0.00 ATOM 2536 CA THRS 130 35.421 64.072 25.7871.00 0.00 ATOM 2537 C THRS 130 34.445 63.842 26.9371.00 0.00 ATOM 2538 O THRS 130 34.261 64.660 27.8371.00 0.00 ATOM 2539 CB THRS 130 36.478 65.129 26.1471.00 0.00 ATOM 2540 OG1 S 130 37.234 65.529 24.9911.00 0.00 THR

ATOM 2541 CG2 130 37.413 64.669 27.2721.00 0.00 THR
S

ATOM 2542 H THR 130 34.502 65.376 24.3231.00 0.00 S

ATOM 2543 HG1 130 36.621 65.961 24.4011.00 0.00 THR
S

SUBSTITUTE SHEET (RULE 26) ATOM 2544 N GLY 33.797 62.666 26.8851.00 0.00 S

ATOM 2545 CA GLY 131 32.793 62.366 27.9171.00 0.00 S

ATOM 2546 C GLY 131 33.281 62.361 29.3681.00 0.00 S

ATOM 2547 O GLY 131 33.916 61.422 29.8381.00 0:00 S

ATOM 2548 H GLY 131 34.043 62.014 _26.1581.00 0.00 S

ATOM 2549 N ILE 132 32.957 63.450 30.0891.00 0.00 S

ATOM 2550 CA-_ILE 132 33.245 63.382 31.5221.00 0.00 S

ATOM 2551 C ILE 132 31.955 63.250 32.3411.00 0.00 S

ATOM 2552 O ILE 132 31.114 62.430 31.9631.00 0.00 S

ATOM 2553 CB ILE 132 34.266 64.472 31.9091.00 0.00 S

ATOM 2554 CG1 ILE 132 34.917 64.287 33.2861.00 0.00 S

ATOM 2555 CG2 ILE I32 33.673 65.866 31.7301.00 0.00 S

ATOM 2556 CD1 ILE 132 35.691 62.973 33.4101.00 0.00 S

ATOM 2557 H ILE 132 32.407 64.200 29.7211.00 0.00 S

ATOM 2558 N SER 133 31.760 63.986 33.4431.00 0.00 S

ATOM 2559 CA SER 133 30.681 63.559 34.3081.00 0.00 S

ATOM 2560 C SER 133 29.751 64.696 34.6391.00 0.00 S

ATOM 2561 O SER 133 30.109 65.737 35.1891.00 0.00 S

ATOM 2562 CB SER 133 31.276 62.819 35.5061.00 0.00 S

ATOM 2563 OG SER 133 32.198 61.821 35.0081.00 0.00 S

ATOM 2564 H SER 133 32.233 64.857 33.5591.00 0.00 S

ATOM 2565 HG SER 133 31.923 61.661 34.0991.00 0.00 S

ATOM 2566 N VAL 134 28.518 64.455 34.2061.00 0.00 S

ATOM 2567 CA VAL 134 27.472 65.468 34.2931.00 0.00 S

ATOM 2568 C VAL 134 27.322 66.122 35.6481.00 0.00 S

ATOM 2569 O VAL 134 27.247 65.490 36.6991.00 0.00 S

ATOM 2570 CB VAL 134 26.169 64.854 33.817I.00 0.00 S

ATOM 2571 CG1 VAL 134 26.249 64.677 32.3081.00 0.00 S

ATOM 2572 CG2 VAL 134 25.882 63.529 34.5271.00 0.00 S

ATOM 2573 H VAL 134 28.290 63.585 33.7731.00 0.00 S

ATOM 2574 N MET 135 27.373 67.458 35.5931.00 0.00 S

ATOM 2575 CA MET 135 27.111 68.192 36.8221.00 0.00 S

ATOM 2576 C MET 135 25.606 68.346 37.0631.00 0.00 S

ATOM 2577 O MET 135 25.102 68.686 38.1301.00 0.00 S

ATOM 2578 CB MET 135 27.922 69.491 36.7761.00 0.00 S

ATOM 2579 CG MET 135 27.668 70.423 37.9521.00 0.00 S

ATOM 2580 SD MET 135 28.882 71.716 38.2031.00 0.00 S

ATOM 2581 CE MET 135 29.853 70.909 39.4841.00 0.00 S

ATOM 2582 H MET 135 27.316 67.920 34.7111.00 0.00 S

ATOM 2583 N VAL 136 24.875 67.994 35.9851.00 0.00 S

ATOM 2584 CA VAL 136 23.418 68.136 35.8511.00 0.00 S

ATOM 2585 C VAL I36 22.559 67.975 37.1091.00 0.00 S

ATOM 2586 O VAL 136 22.838 67.203 38.0301.00 0.00 S

ATOM 2587 CB VAL 136 22.946 67.276 34.6511.00 0.00 S

ATOM 2588 CG1 VAL 136 21.437 67.256 34.3771.00 0.00 S

ATOM 2589 CG2 VAL 136 23.662 67.?61 33.3881.00 0.00 S

ATOM 2590 H VAL 136 25.365 67.731 35.1541.00 0.00 S

ATOM 2591 N SER 137 21.536 68.847 37.0761.00 0.00 S ~

ATOM 2592 CA SER 137 20.538 69.002 38.1231.00 0.00 S

ATOM 2593 C SER 137 21.109 69.319 39.4891.00 0.00 S

ATOM 2594 O SER 137 21.481 68.414 40.2261.00 0.00 S

ATOM 2595 CB SER 137 19.625 67.772 38.1091.00 0.00 S

ATOM 2596 OG SER 137 19.118 67.612 36.7671.00 0.00 S

ATOM 2597 H SER 137 21.410 69.348 36.2241.00 0.00 S

ATOM 2598 HG SER 137 19.406 66.733 36.5061.00 0.00 S

ATOM 2599 N ARG 138 21.249 70.622 39.8561.00 0.00 S

ATOM 2600 CA ARG 138 20.552 71.746 39.2221.00 0.00 S

ATOM 2601 C ARG I38 21.464 72.960 39.0491.00 0.00 S

ATOM 2602 O ARG 138 22.674 72.866 39.2601.00 0.00 S

ATOM 2603 CH ARG 138 19.303 72.110 40.0441.00 0.00 S

ATOM 2604 CG ARG 138 18.146 71.102 39.9831.00 0.00 S

ATOM 2605 CD ARG 138 17.701 70.824 38.5471.00 0.00 S

ATOM 2606 NE ARG 138 16.411 70.155 38.4221.00 0.00 S

ATOM 2607 CZ ARG 138 16.057 69.593 37.2431.00 0.00 S

ATOM 2608 NH1 138 14.797 69.271 37.0431.00 0.00 ARG
S

ATOM 2609 NH2 138 16.956 69.348 36.3.001.00 0.00 ARG
S

ATOM 2610 H ARG 138 21.808 70.756 40.6671.00 0.00 S

SUBSTITUTE SHEET (RULE 26) ATOM 2611 HE ARGS 138 15.758 70.094 39.1851.00 0.00 ATOM 2612 1HH1ARGS 138 14.540 68.783 36.2041.00 0.00 ATOM 2613 2HFI1ARGS 138 14.098 69.499 37.7231.00 0.00 ATOM 2614 1HH2ARGS 138 16.660 68.923 35.4381.00 0.00 ATOM 2615 2HH2ARGS 138 17.934 69.540 36.4161.00 0.00 ATOM 2616 N SERS 139 20.851 74.084 38.6581.00 0.00 ATOM 2617 CA ~ERS 139 21.637 75.261 38.3151.00 0.00 ~

ATOM 2618 C SERS 139 21.519 76.377 39.3211.00 0.00 ATOM 2619 O SERS 139 20.607 76.430 40.1531.00 0.00 ATOM 2620 CB SERS I39 21.179 75.779 36.9541.00 0.00 ATOM 2621 OG SERS 139 21.000 74.663 36.0871.00 0.00 ATOM 2622 H SERS 139 19.872 74.110 38.4761.00 0.00 ATOM 2623 HG SERS 139 20.778 75.007 35.2141.00 0.00 ATOM 2624 N ASNS 140 22.458 77.324 39.1551.00 0.00 ATOM 2625 CA ASNS 140 22.263 78.634 39.7751.00 0.00 ATOM 2626 C ASNS 140 20.983 79.271 39.2791.00 0.00 ATOM 2627 O ASNS 140 20.497 78.856 38.2311.00 0.00 ATOM 2628 CB ASNS 140 23.437 79.558 39.4771.00 0.00 ATOM 2629 CG ASNS 140 24.007 80.096 40.7711.00 0.00 ATOM 2630 OD1 ASNS 140 24.985 79.565 41.2931.00 0.00 ATOM 2631 ND2 ASNS 140 23.422 81.216 41.2151.00 0.00 ATOM 2632 OXT ASNS 140 20.428 80.125 39.9501.00 0.00 ATOM 2633 H ASNS 140 23.073 77.229 38.3781.00 0.00 ATOM 2634 1HD2ASNS 140 23.868 81.821 41.8741.00 0.00 ATOM 2635 2HD2ASNS 140 22.509 81.413 40.8451.00 0.00 END

1$7 SUBSTITUTE SHEET (RULE 26) REMARK 1 NMDA Receptor (NR1) Model of the NMDA Receptor Glycine Binding Site ATOM 1 N SER S 395 52.096 45.402- 11.282 1.00 0.00 ATOM 2 CA SER S 395 51.059 44.524 10.749 1.00 0.00 ATOM 3 C ~-SER S 395 49.828 44.724 11.604 1.00 0.00 ATOM 4 O SER S 395 49.946 45.475 12.575 1.00 0.00 ATOM 5 CB SER S 395 51.668 43.132 10.747 1.00 0.00 ATOM 6 OG SER S 395 52.996 43.307 10.216 1.00 0.00 ATOM 7 1HT SER S 395 52.924 44.795 11.465 1.00 0.00 ATOM 8 2HT SER S 395 51.707 46.796 12.163 1.00 0.00 ATOM 9 3HT SER S 395 52.293 46.139 1D.585 1.00 0.00 ATOM 10 HG SER S 395 53.161 42.561 9.632 1.00 0.00 ATOM 11 N THR S 396 48.702 44.106 11.210 1.00 0.00 ATOM 12 CA THR S 396 47.368 44.532 11.644 1.00 0.00 ATOM 13 C THR S 396 46.429 43.338 11.572 1.00 0.00 ATOM 14 O THR S 396 46.822 42.312 11.015 1.00 0.00 ATOM 15 CB THR S 396 46.892 45.651 10.698 1.00 0.00 ATOM 16 OG1 THR S 396 45.625 46.177 11.116 1.00 0.00 ATOM 17 CG2 THR S 396 46.900 45.237 9.222 1.00 0.00 ATOM 18 H THR S 396 48.694 43.421 10.485 1.00 0.00 ATOM 19 HGl THR S 396 45.141 46.431 10.310 1.00 0.00 ATOM 20 N ARG S 397 45.213 43.502 12.120 1.00 0.00 ATOM 21 CA ARG S 397 44.211 42.491 11.797 1.00 0.00 ATOM 22 C ARG S 397 43.301 42.987 10.688 1.00 0.00 ATOM 23 O ARG S 397 42.575 43.958 10.849 1.00 0.00 ATOM 24 CB ARG S 397 43.397 42.062 13.031 1.00 0.00 ATOM 25 CG ARG S 397 42.550 40.808 12.754 1.00 0.00 ATOM 26 CD ARG S 397 41.771 40.231 13.945 1.00 0.00 ATOM 27 NE ARG S 397 40.711 41.119 14.418 1.00 0.00 ATOM 28 CZ ARG S 397 39.418 40.717 14.473 1.00 0.00 ATOM 29 NHl ARG S 397 38.531 41.482 15.085 1.00 0.00 ATOM 30 NH2 ARG S 397 30.034 39.560 13.949 1.00 0.00 ATOM 31 H ARG S 397 44.955 44.412 12.455 1.00 0.00 ATOM 32 HE ARG S 397 40.947 42.009 14.834 1.00 0.00 ATOM 33 1HH1 ARG S 397 37.566 41.219 15.196 1.00 0.00 ATOM 34 2HH1 ARG S 397 38.846 42.353 15.469 1.00 0.00 ATOM 35 1HH2 ARG S 397 38.076 39.285 13.993 1.00 0.00 ATOM 36 2HH2 ARG S 397 39.694 38.954 13.515 1.00 0.00 ATOM 37 N LEU S 398 43.358 42.254 9.569 1.00 D.00 ATOM 38 CA LEU S 398 42.712 42.730 8.341 1.00 0.00 ATOM 39 C LEU S 398 41.231 43.095 8.425 1.00 0.00 ATOM 40 0 LEU S 398 40.691 43.892 7.656 1.00 0.00 ATOM 41 CB LEU S 398 42.995 41.770 7.180 1.00 0.00 ATOM 42 CG LEU S 398 42.801 42.406 5.796 1.00 0.00 ATOM 43 CD1 LEU S 398 43.679 43.646 5.598 1.00 0.00 ATOM 44 CD2 LEU S 398 42.988 41.388 4.671 1.00 0.00 ATOM 45 H LEU S 398 43.930 41.439 9.600 1.00 0.00 ATOM 46 N LYS S 399 40.558 42.505 9.401 1.00 0.00 ATOM 47 CA LYS S 399 39.384 43.234 9.844 1.00 0.00 ATOM 48 C LYS S 399 39.607 43.623 11.276 1.00 0.00 ATOM 49 O LYS S 399 39.963 42.795 12.108 1.00 0.00 ATOM 50 CB LYS S 399 38.123 42.405 9.62D 1.00 0.00 ATOM 51 CG LYS S 399 37.663 42.587 8.171 1.00 0.00 ATOM 52 CD LYS S 399 37.023 43.962 7.950 1.00 0.00 ATOM 53 CE LYS S 399 37.403 44.644 6.640 1.00 0.00 ATOM 54 NZ LYS S 399 38.612 45.444 6.858 1.00 0.00 ATOM 55 H LYS S 399 41.008 41.880 10.032 1.00 0.00 ATOM 56 1HZ LYS S 399 39.403 44.644 6.640 1.00 0.00 ATOM 57 2HZ LYS S 399 38.914 45.814 5.938 1.00 0.00 ATOM 58 3HZ LYS S 399 38.403 46.254 7.479 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 59 N ILE S 400 39.444 44.923 11.522 1.00 0.00 ATOM 60 CA ILE S 400 39.510 45.362 12.908 1.00 0.00 ATOM 61 C ILE S 400 38.075 45.496 13.355 1.00 0.00 ATOM 62 O ILE S 400 37.251 46.077 12..639 1.00 0.00 ATOM 63 CB ILE S 400 40.252 46.693 13.008 1.00 0.00 -ATOM 64 CG1 ILE S 400 41.445 46.764 12.060 1.00 0.00 ATOM 65 _ ILE S 400 40.697 46.955 14.447 1.00 0.00 ATOM 66 CD1 ILE S 400 41.758 48.207 11.683 1.00 0.00 ATOM 67 H ILE S 400 39.096 45.519 10.800 1.00 0.00 ATOM 68 N VAL S 401 37.789 44.837 14.479 1.00 0.00 ATOM 69 CA VAL S 401 36.403 44.863 14.896 1.00 0.00 ATOM 70 C VAL S 401 36.189 45.858 15.987 1.00 0.00 ATOM 71 O VAL S 401 36.713 45.826 17.112 1.00 0.00 ATOM 72 CB VAL S 401 35.842 43.469 15.200 1.00 0.00 ATOM 73 CGl VAL S 401 34.470 43.486 15.885 1.00 0.00 ATOM 74 CG2 VAL S 401 35.763 42.677 13.893 1.00 0.00 ATOM 75 H VAL S 401 38.508 44.507 15.090 1.00 0.00 ATOM 76 N THR S 402 35.401 46.820 15.544 1.00 0.00 ATOM 77 CA THR S 402 34.762 47.767 16.428 1.00 0.00 ATOM 78 C THR S 402 33.476 47.161 16.958 1.00 0.00 ATOM 79 O THR S 402 32.429 47.216 16.319 1.00 0.00 ATOM 80 CB THR S 402 34.556 49.017 15.573 1.00 0.00 ATOM 81 OGl THR S 402 35.855 49.585 15.313 1.00 0.00 ATOM B2 CG2 THR S 402 33.567 50.053 16.118 1.00 0.00 ATOM 83 H THR S 402 35.015 46.683 14.631 1.00 0.00 ATOM 84 HG1 THR S 402 35.666 50.435 14.894 1.00 0.00 ATOM 85 N ILE S 403 33.587 46.612 18.168 1.00 0.00 ATOM 86 CA ILE S 403 32.352 46.190 18.835 1.00 0.00 ATOM 87 C ILE S 403 31.468 47.372 19.282 1.00 0.00 ATOM 88 O ILE S 403 31.956 48.481 19.519 1.00 0.00 ATOM 89 CB ILE S 403 32.733 45.186 19.934 1.00 0.00 ATOM 90 CGI ILE S 403 31.539 44.463 20.552 1.00 0.00 ATOM 91 CG2 ILE S 403 33.621 46.838 20.998 1.00 0.00 ATOM 92 CDl ILE S 403 32.919 43.134 21.200 1.00 0.00 ATOM 93 H ILE S 403 34.509 46.493 18.532 1.00 0.00 ATOM 94 N HIS S 404 30.132 47.151 19.294 1.00 0.00 ATOM 95 CA HIS S 404 29.218 48.307 19.414 1.00 0.00 ATOM 96 C HIS S 404 27.998 48.146 20.329 1.00 0.00 ATOM 97 0 HIS S 404 27.397 47.076 20.416 1.00 0.00 ATOM 98 CB HIS S 404 28.783 48.802 18.028 1.00 0.00 ATOM 99 CG HIS S 404 28.269 50.226 18.105 1.00 0.00 ATOM 100 ND1 HIS S 404 29.076 51.289 18.028 1.00 0.00 ATOM 101 CD2 HIS S 404 26.961 50.687 18.277 1.00 0.00 ATOM 102 CEl HIS S 404 28.310 52.416 18.154 1.00 0.00 ATOM 103 NE2 HIS S 404 27.000 52,043 18.307 1.00 0.00 ATOM 104 H HIS S 404 29.790 46.223 19.131 1.00 0.00 ATOM 105 HD1 HI5 S 404 30.039 51.275 17.862 1.00 0.00 ATOM 106 N GLN S 405 27.691 49.263 21.030 1.00 0.00 ATOM 107 CA GLN S 405 26.571 49.385 21.973 1.00 0.00 ATOM 108 C GLN S 405 25.195 49.355 21.296 1.00 0.00 ATOM 109 O GLN S 405 25.079 49.202 20.078 1.00 0.00 ATOM 110 CB GLN S 405 26.818 50.677 22.783 1.00 0.00 ATOM 111 CG GLN S 405 26.062 51.874 24.106 1.00 0.00 ATOM 112 CD GLN S 405 26.529 52.137 24.792 1.00 0.00 ATOM 113 OE1 GIN S 405 27.631 50.203 25.340 1.00 0.00 ATOM 114 NE2 GLN S 405 25.655 53.154 24.741 1.00 0.00 ATOM 115 H GLN S 405 28.133 50.120 20.760 1.00 0.00 ATOM 116 1HE2GLN S 405 26.863 54.087 25.037 1.00 0.00 ATOM 117 2HE2GLN S 405 24.735 52.963 24.389 1.00 0.00 ATOM 118 N GLU S 406 24.133 49.462 22.121 1.00 0.00 ATOM 119 CA GLU S 406 22.864 50.027 21.635 1.00 0.00 ATOM 120 C GLU S 406 22.374 51.203 22.497 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 121 O GLU S 406' 22.385 52.362 22.071 1.00 0.00 ATOM 122 CB GLU S 406 21.813 48.912 21.402 1.00 0.00 ATOM 123 CG GLU S 406 20.436 49.288 20.825 1.00 0.00 ATOM 124 CD GLU S 406 19.628 50.208 21.736 1.00- 0.00 ATOM 125 OE1 GLU S 406 19.540 51.404 - 21.471 1.00 0.00 ATOM 126 OE2 GLU S 406 19.090 49.717 22.725 1.00 0.00 ATOM 127 H ~GLU S 406 24.221 49.248 23.091 1.00 0.00 ATOM 128 N PRO S 407 21.973 50.922 23.794 1.00 0.00 ATOM 229 CA PRO S 407 21.166 51.899 24.545 1.00 0.00 ATOM 130 C PRO S 407 21.669 53.318 24.509 1.00 0.00 ATOM 131 O PRO S 407 22.894 53.552 24.589 1.00 0.00 ATOM 132 CB PRO S 407 21.112 51.327 25.962 I.00 0.00 ATOM 133 CG PRO S 407 21.173 49.822 25.751 1.00 0.00 ATOM 134 CD PRO S 407 22.159 49.708 24.598 1.00 0.00 ATOM 135 N PHE S 408 20.670 54.197 24.337 1.00 0.00 ATOM 136 CA PHE S 408 20.865 55.632 24.176 1.00 0.00 ATOM 137 C PHE S 408 21.591 56.030 22.902 1.00 0.00 ATOM 138 O PHE S 408 21.002 56.632 22.003 1.00 0.00 ATOM 139 CB PHE S 408 21.440 56.250 25.460 1.00 0.00 ATOM 140 CG PHE S 408 20.345 56.433 26.493 1.00 0.00 ATOM 141 CD1 PHE S 408 19.702 55.311 27.064 1.00 0.00 ATOM 142 CD2 PHE S 408 19.977 57.743 26.866 1.00 0.00 ATOM 143 CE1 PHE S 408 18.674 55.503 28.007 1.00 0.00 ATOM 144 CE2 PHE S 408 18.953 57.939 27.812 1.00 0.00 ATOM 145 CZ PHE S 408 18.309 56.816 28.371 1.00 0.00 ATOM 146 H PHE S 408 19.764 53.780 24.328 1.00 0.00 ATOM 147 N VAL S 409 22.877 55.654 22.822 1.00 0.00 ATOM 148 CA VAL S 409 23.742 55.967 21.672 1.00 0.00 ATOM 149 C VAL S 409 23.322 55.384 20.319 1.00 0.00 ATOM 150 O VAL S 409 23.670 54.275 19.914 1.00 0.00 ATOM 151 CB VAL S 409 25.197 55.593 22.004 1.00 0.00 ATOM 152 CG1 VAL S 4D9 26.165 55.931 20.866 1.00 0.00 ATOM 153 CG2 VAL ~S 409 25.635 56.250 23.316 1.00 0.00 ATOM 154 H VAL S 409 23.175 55.148 23.631 1.00 0.00 ATOM 155 N TYR S 410 22.560 56.205 19.600 1.00 0.00 ATOM 156 CA TYR S 410 22.214 55.943 18.199 1.00 0.00 ATOM 157 C TYR S 410 22.277 57.294 17.529 1.00 0.00 ATOM 158 O TYR S 410 22.302 58.297 18.244 1.00 0.00 ATOM 159 CB TYR S 410 20.760 55.476 18.084 1.00 0.00 ATOM 160 CG TYR S 410 20.575 53.989 17.877 1.00 0.00 ATOM 161 CD1 TYR S 410 21.150 53.063 18.767 1.00 0.00 ATOM 162 CD2 TYR S 410 19.763 53.572 16.804 1.00 0.00 ATOM 163 CE1 TYR S 410 20.817 51.708 18.635 1.00 0.00 ATOM 164 CE2 TYR S 410 19.416 52.215 16.682 1.00 0.00 ATOM 165 CZ TYR S 410 19.905 51.304 17.637 1.00 0.00 ATOM 166 OH TYR S 410 19.462 49.987 17.626 1.00 0.00 ATOM 167 H TYR S 410 22.257 57.063 20.012 1.00 0.00 ATOM 168 HH TYR S 410 19.657 49.609 18.483 1.00 0.00 ATOM 169 N VAL S 411 22.218 57.306 16.181 1.00 0.00 ATOM 170 CA VAL S 411 21.47D 58.411 15.562 1.00 0.00 ATOM 171 C VAL S 411 20.569 57.914 14.427 1.00 0.00 ATOM 172 0 VAL S 411 20.352 58.576 13.412 1.00 0.00 ATOM 173 CB VAL S 411 22.340 59.611 15.092 1.00 0.00 ATOM 174 CGI VAL S 411 21.500 60.892 15.035 1.00 0.00 ATOM 175 CG2 VAL S 411 23.606 59.870 15.915 1.00 0.00 ATOM 176 H VAL S 411 22.522 56.508 15.660 1.00 0.00 ATOM 177 N LYS S 412 20.080 56.662 14.624 1.00 0.00 ATOM 178 CA LYS S 412 19.066 56.134 13.700 1. D0 0.00 ATOM 179 C LYS S 412 17.857 55.532 14.394 1.00 0.00 ATOM 180 O LYS S 412 17.856 54.364 14.780 1.00 0.00 ATOM 181 CB LYS S 412 19.621 55.054 12.757 1.00 0.00 ATOM 182 CG LYS S 412 20.791 55.509 11.895 1.00 0.00 i6a SUBSTITUTE SHEET (RULE 26) t ATOM 183 CD LYS S 412 20.442 56.701 11.019 1.00 0.00 ATOM 184 CE LYS S 412 21.665 57.550 10.696 1.00 0.00 ATOM 185 NZ LYS S 412 21.298 58.956 10.883 1.00 0.00 ATOM 186 H LYS S 412 20.306 56.130 15.434 1.00 0.00 ATOM 187 1HZ LYS S 412 20.602 59.227-10.154 1.00 0.00 ATOM 188 2HZ LYS S 412 20.890 59.098 11.832 1.00 0.00 ATOM 189 _ -LYS S 412 22.129 59.568 10.768 1.00 0.00 ATOM 190 N PRO S 413 16.789 56.336 14.531 1.00 0.00 ATOM 191 CA PRO S 413 1'5.54055.722 14.988 1.00 0.00 ATOM 192 C PRO S 413 15.048 54.597 14.076 1.00 0.00 ATOM 193 O PRO S 413 15.549 54.355 12.980 1.00 0.00 ATOM 194 CB PRO S 413 14.598 56.929 15.105 1.00 0.00 ATOM 195 CG PRO S 413 15.188 58.026 14.217 1.00 0.00 ATOM 196 CD PRO S 413 16.690 58.767 14.266 1.00 0.00 ATOM 197 N THR S 414 14.058 53.894 14.614 1.00 0.00 ATOM 198 CA THR S 414 13.363 52.857 13.860 1.00 0.00 ATOM 199 C THR S 414 12.258 53.461 12.981 1.00 0.00 ATOM 200 O THR S 414 11.775 54.563 13.232 1.00 0.00 ATOM 201 CB THR S 414 12.872 52.874 14.942 1.00 0.00 ATOM 202 OG1 THR S 414 14.006 51.198 15.514 1.00 0.00 ATOM 203 CG2 THR S 414 11.803 50.863 14.529 1.00 0.00 ATOM 204 H THR S 414 13.713 54.181 15.503 1.00 0.00 ATOM 205 HG1 THR S 414 14.458 50.787 14.783 1.00 0.00 ATOM 206 N LEU S 415 11.870 52.705 11.919 1.00 0.00 ATOM 207 CA LEU S 415 10.645 52.927 11.117 1.00 0.00 ATOM 208 C LEU S 415 10.671 52.092 9.855 1.00 0.00 ATOM 209 O LEU S 415 11.525452.321 9.002 1.00 0.00 ATOM 210 CB LEU S 415 10.426 54.382 10.659 1.00 0.00 ATOM 211 CG LEU S 415 9.083 54.658 9.975 1.00 0.00 ATOM 212 CDl LEU S 415 7.896 54.403 10.907 1.00 0.00 ATOM 213 CD2 LEU S 415 9.047 56.058 9.362 1.00 0.00 ATOM 214 H LEU S 415 12.451 51.915 11.704 1.00 0.00 ATOM 215 N SER S 416 9.736 51.143 9.773 1.00 0.00 ATOM 216 CA SER S 416 9.682 50.278 8.595 1.00 0.00 ATOM 217 C SER S 416 9.584 51.018 7.269 2.00 0.00 ATOM 218 O SER S 416 8.576 51.657 6.968 1.00 0.00 ATOM 219 CB SER S 416 8.497 49.322 8.734 1.00 0.00 ATOM 220 OG SER S 416 7.999 49.337 10.085 1.00 0.00 ATOM 221 H SER S 416 9.075 50.986 10.500 1.00 0.00 ATOM 222 HG SER S 416 8.319 48.530 10.477 1.00 0.00 ATOM 223 N ASP S 417 10.669 50.915 6.495 1.00 0.00 ATOM 224 CA ASP S 417 10.643 51.523 5.164 1.00 0.00 ATOM 225 C ASP S 417 11.648 50.824 4.281 1.00 0.00 ATOM 226 O ASP S 417 12.724 50.435 4.725 1.00 0.00 ATOM 227 CB ASP S 417 10.895 53.050 5.235 1.00 0.00 ATOM 228 CG ASP S 417 10.978 53.757 3.878 1.00 0.00 ATOM 229 OD1 ASP S 417 11.611 54.802 3.760 1.00 0.00 ATOM 230 OD2 ASP S 417 10.406 53.299 2.901 1.00 0.00 ATOM 231 H ASP S 417 11.369 50.242 6.752 1.00 0.00 ATOM 232 N GLY 5 418 11.247 50.700 3.008 1.00 0.00 ATOM 233 CA GLY S 418 12.141 50.155 1.996 1.00 0.00 ATOM 234 C GLY S 418 12.789 51.216 1.114 1.00 0.00 ATOM 235 O GLY S 418 12.346 51.487 0.002 1.00 0.00 ATOM 236 H GLY S 418 10.404 51.175 2.754 1.00 0.00 ATOM 237 N THR S 419 13.852 51.825 1.653 1.00 0.00 ATOM 238 CA THR S 419 14.633 52.758 0.830 1.00 0.00 ATOM 239 C THR S 419 16.137 52.803 1.175 1.00 0.00 ATOM 240 O THR S 419 16.692 53.865 1.447 1.00 0.00 ATOM 241 CB THR S 419 14.020 54.177 0.889 1.00 0.00 ATOM 242 OG1 THR S 419 12.585 54.172 1.074 1.00 0.00 ATOM 243 CG2 THR S 419 14.377 54.962 -0.376 1.00 0.00 ATOM 244 H THR S 419 14.133 51.449 2.533 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 245 HGl THR S 419 12.416 53.567 1.800 1.00 0.00 ATOM 246 N CYS S 420 16.751 51.596 1.245 1.00 0.00 ATOM 247 CA CYS S 420 17.931 51.309 2.101 1.00 0.00 ATOM 248 C CYS S 420 17.575 51.314 3-.575 1.00 0.00 ATOM 249 O CYS S 420 18.385 51.101 4.475 1.00 0.00 ATOM 250 CB CYS S 420 19.139 52.246 2.015 1.00 0.00 _ ATOM 251 SG CYS S 420 19.996 52.479 0.436 1.00 0.00 ATOM 252 H CYS S 420 16.219 50.778 1.018 1.00 0.00 ATOM 253 N LYS S 421 16.301 51.651 3.765 1.00 0.00 ATOM 254 CA LYS S 421 15.770 52.085 5.038 1.00 0.00 ATOM 255 C LYS S 421 15.290 50.911 5.848 1.00 0.00 ATOM 256 O LYS S 421 14.875 51.081 6.993 1.00 0.00 ATOM 257 CB LYS S 421 14.625 53.059 4.796 1.00 0.00 ATOM 258 CG LYS S 421 14.910 54.493 5.226 1.00 0.00 ATOM 259 CD LYS S 421 13.824 55.099 6.128 1.00 0.00 ATOM 260 CE LYS S 421 13.713 54.545 7.559 1.00 0.00 ATOM 261 NZ LYS S 421 13.349 53.126 7.608 1.00 0.00 ATOM 262 H LYS S 421 15.721 51.239 3.072 1.00 0.00 ATOM 263 1HZ LYS S 421 14.078 52.502 7.219 1.00 0.00 ATOM 264 2HZ LYS S 421 13.218 52.821 8.596 1.00 0.00 ATOM 265 3HZ LYS S 421 12.440 52.948 7.143 1.00 0.00 ATOM 266 N GLU S 422 15.423 49.741 5.199 1.00 0.00 ATOM 267 CA GLU S 422 15.427 48.435 5.831 1.00 0.00 ATOM 268 C GLU S 422 16.498 48.409 6.903 1.00 0.00 ATOM 269 O GLU S 422 17.058 49.433 7.302 1.00 0.00 ATOM 270 CB GLU S 422 15.728 47.341 4.787 1.00 0.00 ATOM 271 CG GLU S 422 15.036 47.402 3.415 1.00 0.00 ATOM 272 CD GLU S 422 15.715 48.421 2.512 1.00 0.00 ATOM 273 OE1 GLU S 422 16.902 48.307 2.251 1.00 0.00 ATOM 274 OE2 GLU S 422 15.067 49.359 2.079 1.00 0.00 ATOM 275 H GLU S 422 15.655 49.758 4.231 I.00 0.00 ATOM 276 N GLU S 423 16.870 47.201 7.327 1.00 0.00 ATOM 277 CA GLU S 423 18.017 47.245 8.226 1.00 0.00 ATOM 278 C GLU S 423 19.397 47.456 7.596 1.00 0.00 ATOM 279 O GLU S 423 20.422 46.949 8.066 1.00 0.00 ATOM 280 CB GLU S 423 17.924 46.085 9.202 1.00 0.00 ATOM 281 CG GLU S 423 16.686 46.302 10.084 1.00 0.00 ATOM 282 CD GLU S 423 16.050 44.979 10.448 1.00 0.00 ATOM 283 OE1 GLU S 423 14.842 44.925 10.644 1.00 0.00 ATOM 284 OE2 GLU S 423 16.751 43.980 10.511 1.00 0.00 ATOM 285 H GLU S 423 16.440 46.353 7.014 1.00 0.00 ATOM 286 N PHE S 424 19.410 48.313 6.556 1.00 0.00 ATOM 287 CA PHE S 424 20.644 49.002 6.180 1.00 0.00 ATOM 288 C PHE S 424 20.620 50.448 6.663 1.00 0.00 ATOM 289 O PHE S 424 20.782 51.418 5.920 1.00 0.00 ATOM 290 CB PHE S 424 20.874 48.588 4.669 1.00 0.00 ATOM 291 CG PHE S 424 20.787 47.435 4.254 1.00 0.00 ATOM 292 CD1 PHE S 424 19.642 46.987 3.559 1.00 0.00 ATOM 293 CD2 PHE S 424 21.836 46.547 4.582 1.00 0.00 ATOM 294 CE1 PHE S 424 19.532 45.628 3.207 1.00 0.00 ATOM 295 CE2 PHE S 424 21.728 45.188 4.230 1.00 0.00 ATOM 296 CZ PHE S 424 20.573 44.741 3.554 1.00 0.00 ATOM 29? H PHE S 424 18.552 48.618 6.144 1.00 0.00 ATOM 298 N THR S 425 20.353 50.501 7.982 1.00 0.00 ATOM 299 CA THR S 425 20.344 51.707 8.809 1.00 0.00 ATOM 300 C THR S 425 19.357 52.795 8.354 1.00 0.00 ATOM 301 O THR S 425 18.267 52.508 7.845 1.00 0.00 ATOM 302 CB THR S 425 22.818 52.127 9.141 1.00 0.00 ATOM 303 OG1 THR S 425 21.Sfi853.076 10.220 1.00 0.00 ATOM 304 CG2 THR S 425 22.700 52.620 7.988 1.00 0.00 ATOM 305 H THR S 425 20.169 49.642 8.438 1.00 0.00 ATOM 306 HG1 THR S 425 22.740 53.015 10.620 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 307 N VAL S 426 19.765 54.075 8.537 1.00 0.00 ATOM 308 CA VAL S 426 19.192 55.285 7.915 1.00 0.00 ATOM 309 C VAL S 426 17.720 55.627 8.135 1.00 0.00 ATOM 310 O VAL S 426 16.800 55.153 7.477 1.00 0.00 ATOM 311 CB VAL S 426 19.619 55.464 6.439 1.00 0.00 ATOM 312 CG1-VAL S 426 21.138 55.608 6.353 1.00 0.00 ATOM 313 _ VAL S 426 19.093 54.409 5.459 1.00 0.00 ATOM 314 H VAL S 426 20.528 54.160 9.182 1.00 0.00 ATOM 315 N ASN S 427 17.481 56.489 9.132 1.00 0.00 ATOM 316 CA ASN S 427 16.081 56.864 9.312 1.00 0.00 ATOM 317 C ASN S 427 15.745 58.181 8.660 1.00 0.00 ATOM 318 O ASN S 427 15.441 59.194 9.279 1.00 0.00 ATOM 319 CB ASN S 427 15.647 56.835 10.771 1.00 0.00 ATOM 320 CG ASN S 427 14.140 56.648 10.852 1.00 0.00 ATOM 321 OD1 ASN S 427 13.328 57.557 10.717 1.00 0.00 ATOM 322 ND2 ASN S 427 13.775 55.404 11.120 1.00 0.00 ATOM 323 H ASN S 427 18.205 56.991 9.601 1.00 0.00 ATOM 324 1HD2ASN S 427 12.828 55.112 11.193 1.00 0.00 ATOM 325 2HD2ASN S 427 14.474 54.721 11.359 1.00 0.00 ATOM 326 N GLY S 428 15.832 58.118 7.324 1.00 0.00 ATOM 327 CA GLY S 428 15.545 59.339 6.572 1.00 0.00 ATOM 328 C GLY S 428 16.706 59.866 5.745 1.00 0.00 ATOM 329 O GLY S 428 16.518 60.393 4.652 1.00 0.00 ATOM 330 H GLY S 428 16.117 57.251 6.911 1.00 0.00 ATOM 331 N ASP S 429 17.901 59.671 6.303 1.00 0.00 ATOM 332 CA ASP S 429 19.165 60.117 5.707 1.00 0.00 ATOM 333 C ASP S 429 19.322 60.195 4.169 1.00 0.00 ATOM 334 O ASP S 429 19.755 61.223 3.652 1.00 0.00 ATOM 335 CB ASP S 429 20.340 59.381 6.391 1.00 0.00 ATOM 336 CG ASP S 429 20.179 59.330 7.912 1.00 0.00 ATOM 337 OD1 ASP S 429 20.760 60.141 8.610 1.00 0.00 ATOM 338 OD2 ASP S 429 19.474 58.476 8.432 1.00 0.00 ATOM 339 H ASP S 429 17.940 59.272 7.221 1.00 0.00 ATOM 340 N PRO S 430 18.977 59.108 3.407 1.00 0.00 ATOM 341 CA PRO S 430 19.189 59.190 1.954 1.00 0.00 ATOM 342 C PRO S 430 18.112 59.916 1.142 1.00 0.00 ATOM 343 O PRO S 430 18.195 59.941 -0.089 1.00 0.00 ATOM 344 CB PRO S 430 19.292 57.713 1.569 1.00 0.00 ATOM 345 CG PRO S 430 18.302 57.020 2.500 1.00 0.00 ATOM 346 CD PRO S 430 18.502 57.780 3.806 1.00 0.00 ATOM 347 N VAL S 431 17.106 60.464 1.854 1.00 0.00 ATOM 348 CA VAL S 431 15.979 61.241 1.309 1.00 0.00 ATOM 349 C VAL S 431 15.178 60.628 0.153 1.00 0.00 ATOM 350 O VAL S 431 14.934 61.240 -0.887 1.00 0.00 ATOM 351 CB VAL S 431 16.395 62.704 1.029 1.00 0.00 ATOM 352 CG1 VAL S 431 15.181 63.641 0.982 1.00 0.00 ATOM 353 CG2 VAL S 431 17.394 63.223 2.070 1.00 0.00 ATOM 354 H VAL S 431 17.215 60.463 2.847 1.00 0.00 ATOM 355 N LYS S 432 14.778 59.368 0.422 1.00 0.00 ATOM 356 CA LYS S 432 13.988 58.604 -0.554 1.00 0.00 ATOM 357 C LYS S 432 14.414 58.683 -2.007 1.00 0.00 ATOM 358 O LYS S 432 13.655 58.942 -2.945 1.00 0.00 ATOM 359 CB LYS S 432 12.488 58.841 -0.398 1.00 0.00 ATOM 360 CG LYS S 432 11.961 58.007 0.764 1.00 0.00 ATOM 361 CD LYS S 432 10.439 57.890 0.750 1.00 0.00 ATOM 362 CE LYS S 432 9.951 56.912 1.827 1.00 0.00 ATOM 363 NZ LYS S 432 10.465 55.565 1.558 1.00 0.00 ATOM 364 H LYS S 432 14.920 59.025 . 1.3481.00 0.00 ATOM 365 1HZ LYS S 432 10.012 55.053 0.786 1.00 0.00 ATOM 366 2HZ LYS S 432 11.494 55.526 1.420 1.00 0.00 ATOM 367 3HZ LYS S 432 10.322 55.004 2.422 1.00 0.00 ATOM 368 N LYS S 433 15.714 58.424 -2.125 1.00 0.00 SU9STITUTE SHEET (RULE 26) ATOM 369 CA LYS S 433 16.468 58.425 -3.362 1.00 0.00 ATOM 370 C LYS S 433 17.429 57.278 -3.157 1.00 0.00 ATOM 371 O LYS S 433 18.012 57..174 -2.079 1. Q0 0.00 ATOM 372 CB LYS S 433 17.208 59.766 -3.408 1.00 0.00 ATOM 373 CG LYS S 433 18.466 59.883 -4.277 1.00 0.00 ATOM 374 CD _ LYS S 433 19.546 60.703 -3.552 1.00 0.00 ATOM 375 CE LYS S 433 20.574 59.895 -2.735 1.00 0.00 ATOM 376 NZ LYS S 433 19.939 58.838 -1.940 1.00 0.00 ATOM 377 H LYS S 433 16.196 58.262 -1.270 1.00 0.00 ATOM 378 1HZ LYS S 433 19.167 59.202 -1.344 1.00 0.00 ATOM 379 2HZ LYS S 433 19.536 58.130 -2.591 1.00 0.00 ATOM 380 3HZ LYS S 433 20.624 58.294 -1.380 1.00 0.00 ATOM 381 N VAL S 434 17.596 56.438 -4.191 1.00 0.00 ATOM 382 CA VAL S 434 18.563 55.338 -4.051 1.00 0.00 ATOM 383 C VAL S 434 19.957 55.798 -3.629 1.00 0.00 ATOM 384 O VAL S 434 20.252 56.988 -3.706 1.00 0.00 ATOM 385 CB VAL S 434 18.627 54.505 -5.339 1.00 0.00 ATOM 386 CG1 VAL S 434 17.290 53.803 -5.586 1.00 0.00 ATOM 387 CG2 VAL S 434 19.080 55.335 -6.546 1.00 0.00 ATOM 388 H VAL S 434 17.088 56.581 -5.404 1.00 0.00 ATOM 389 N ILE S 435 20.768 54.823 -3.174 1.00 0.00 ATOM 390 CA ILE S 435 22.084 55.095 -2.574 1.00 0.00 ATOM 391 C ILE S 435 22.014 55.733 -1.182 1.00 0.00 ATOM 392 O ~ ILE S 435 21.319 56.722 -0.936 1.00 0.00 ATOM 393 CB ILE S 435 23.006 55.869 -3.548 1.00 0.00 ATOM 394 CGl ILE S 435 23.113 55.120 -4.881 1.00 0.00 ATOM 395 CG2 ILE S 435 24.406 56.088 -2.968 1.00 0.00 ATOM 396 CD1 ILE S 435 23.832 55.926 -5.965 1.00 0.00 ATOM 397 H ILE S 435 20.448 53.879 -3.220 1.00 0.00 ATOM 398 N CYS S 436 22.756 55.067 -0.275 1.00 0.00 ATOM 399 CA CYS S 436 22.787 55.381 1.163 1.00 0.00 ATOM 400 C CYS S 436 24.204 55.415 1.748 1.00 0.00 ATOM 401 O CYS S 436 24.475 55.161 2.927 1.00 0.00 ATOM 402 CH CYS S 436 21.904 54.368 1.902 1.00 0.00 ATOM 403 SG CYS S 436 21.915 52.736 1.091 1.00 0.00 ATOM 404 H CYS S 436 23.269 54.268 -0.896 1.00 0.00 ATOM 405 N THR S 437 25.134 55.710 0.828 1.00 0.00 ATOM 406 CA THR S 437 26.520 55.830 1.262 1.00 0.00 ATOM 407 C THR S 437 26.738 57.171 1.935 1.00 0.00 ATOM 408 O THR S 437 26.437 58.204 1.340 1.00 0.00 ATOM 409 CB THR S 437 27.401 55.681 0.023 1.00 0.00 ATOM 410 OG1 THR S 437 26.904 56.531 -1.030 1.00 0.00 ATOM 411 CG2 THR S 437 27.440 54.227 -0.454 1.00 0.00 ATOM 412 H THR S 437 24.910 55.969 -0.109 1.00 0.00 ATOM 413 HG1 THR S 437 27.186 57.409 -0.758 1.00 0.00 ATOM 414 N GLY S 438 27.240 57.094 3.170 1.00 0.00 ATOM 415 CA GLY S 438 27.493 58.326 3.910 1.00 0.00 ATOM 416 C GLY S 438 27.728 57.984 5.363 1.00 0.00 ATOM 417 O GLY S 438 28.852 57.682 5.773 1.00 0.00 ATOM 418 H GLY S 438 27.398 56.203 3.595 1.00 0.00 ATOM 419 N PRO S 439 26.582 57.976 6.097 1.00 0.00 ATOM 420 CA PRO S 439 26.538 57.446 7.466 1.00 0.00 ATOM 421 C PRO S 439 27.436 56.236 7.679 1.00 0.00 ATOM 422 O PRO S 439 27.375 55.253 6.935 1.00 0.00 ATOM 423 CB PRO S 439 25.043 57.146 7.614 1.00 0.00 ATOM 424 CG PRO S 439 24.365 58.283 6.857 1.00 0.00 ATOM 425 CD PRO S 439 25.275 58.452 5.647 1.00 0.00 ATOM 426 N ASN S 440 28.315 56.338 8.663 1.00 0.00 ATOM 427 CA ASN S 440 29.293 55.263 8.781 1.00 0.00 ATOM 428 C ASN S 440 28.921 54.239 9.817 1.00 0.00 ATOM 429 O ASN S 440 29.223 54.368 11.000 1.00 0.00 ATOM 430 CB ASN S 440 30.695 55.801 9.037 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 431 CG ASN S 440 31.726 54.732 8.723 1.00 0.00 ATOM 432 ODl ASN S 440 31.882 54.249 7.602 1.00 0.00 ATOM 433 ND2 ASN S 440 32.475 54.381 9.762 1.00 0.00 ATOM 434 H ASN S 440 28.321 57.134 9.275 1.00 0.00 ATOM 435 1HD2ASN S 440 32.113 54.732-10.634 1.00 0.00 ATOM 436 2HD2ASN S 440 33.312 53.835 9.685 1.00 0.00 ATOM 437 N 'ASP S 441 28.243 53.209 9.296 1.00 0.00 ATOM 438 CA ASP S 441 27.613 52.210 10.158 1.00 0.00 ATOM 439 C ASP S 441 28.489 51.533 11.213 1.00 0.00 ATOM 440 O ASP S 441 29.727 51.544 11.199 1.00 0.00 ATOM 44I CB ASP S 441 26.874 51.203 9.260 1.00 0.00 ATOM 442 CG ASP S 441 25.926 50.355 10.084 1.00 0.00 ATOM 443 OD1 ASP S 441 24.823 50.798 10.368 1.00 0.00 ATOM 444 OD2 ASP S 441 26.324 49.273 10.492 1.00 0.00 ATOM 445 H ASP S 441 27.919 53.289 8.354 1.00 0.00 ATOM 446 N THR S 442 27.790 50.907 12.174 1.00 0.00 ATOM 447 CA THR S 442 28.520 50.437 13.332 1.00 0.00 ATOM 448 C THR S 442 28.058 49.111 13.953 1.00 0.00 ATOM 449 O THR S 442 28.868 48.363 14.488 1.00 0.00 ATOM 450 CB THR S 442 28.559 51.628 14.291 1.00 0.00 ATOM 451 OG1 THR S 442 29.603 51.528 15.271 1.00 0.00 ATOM 452 CG2 THR S 442 27.199 51.938 14.896 1.00 0.00 ATOM 453 H THR S 442 26.792 50.817 12.125 1.00 0.00 ATOM 454 HG1 THR S 442 29.628 60.607 15.537 1.00 0.00 ATOM 455 N SER S 443 26.754 48.820 13.868 1.00 0.00 ATOM 456 CA SER S 443 26.224 47.609 14.514 1.00 0.00 ATOM 457 C SER S 443 24.941 47.097 13.874 1.00 0.00 ATOM 458 O SER S 443 23.839 47.599 14.115 1.00 0.00 ATOM 459 CB SER S 443 25.966 47.837 16.017 1.00 0.00 ATOM 460 OG SER S 443 25.936 46.627 16.817 1.00 0.00 ATOM 461 H SER S 443 26.138 49.443 13.832 1.00 0.00 ATOM 462 HG SER S 443 25.700 45.922 16.209 1.00 0.00 ATOM 463 N PRO S 444 25.103 46.024 13.076 1.00 0.00 ATOM 464 CA PRO S 444 23.943 45.248 12.631 1.00 0.00 ATOM 465 C PRO S 444 23.310 44.412 13.742 1.00 0.00 ATOM 466 O PRO S 444 23.596 43.223 13.913 1.00 0.00 ATOM 467 CB PRO S 444 24.542 44.413 11.494 1.00 0.00 ATOM 468 CG PRO S 444 26.003 44.194 11.876 1.00 0.00 ATOM 469 CD PRO S 444 26.367 45.496 12.576 1.00 0.00 ATOM 470 N GLY S 445 22.433 45.108 14.488 1.00 0.00 ATOM 471 CA GLY S 445 21.400 44.330 15.159 1.00 0.00 ATOM 472 C GLY S 445 20.259 44.142 14.184 1.00 0.00 ATOM 473 O GLY S 445 20.207 44.828 13.167 1.00 0.00 ATOM 474 H GLY S 445 22.293 46.074 14.285 1.00 0.00 ATOM 475 N SER S 446 19.367 43.193 14.525 1.00 0.00 ATOM 476 CA SER S 446 18.306 42.770 13.600 1.00 0.00 ATOM 477 C SER S 446 18.764 42.361 12.199 1.00 0.00 ATOM 478 O SER S 446 19.312 43.121 11.396 1.00 0.00 ATOM 479 CB SER S 446 17.136 43.761 13.588 1.00 0.00 ATOM 480 OG SER S 446 16.580 43.870 14.909 1.00 0.00 ATOM 481 H SER S 446 19.427 42.763 15.424 1.00 0.00 ATOM 482 HG SER S 446 17.085 44.577 14.294 1.00 0.00 ATOM 483 N PRO S 447 18.585 41.038 11.954 1.00 0.00 ATOM 484 CA PRO S 447 19.044 40.473 10.684 1.00 0.00 ATOM 485 C PRO S 447 18.175 40.784 9.469 1.00 0.00 ATOM 486 O PRO S 447 17.544 39.906 8.891 1.00 0.00 ATOM 487 CB PRO S 447 19.119 38.978 11.018 1.00 0.00 ATOM 488 CG PRO S 447 18.005 38.753 12.042 1.00 0.00 ATOM 489 CD PRO S 447 18.035 40.036 12.862 1.00 0.00 ATOM 490 N ARG S 448 18.238 42.058 9.058 1.00 0.00 ATOM 491 CA ARG S 448 17.977 42.508 7.690 1.00 0.00 ATOM 492 C ARG S 448 16.543 42.347 '7.203 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 493 O ARG S 448 16.254 41.672 6.219 1.00 0.00 ATOM 494 CB ARG S 448 18.986 41.918 6.682 1.00 0.00 ATOM 495 CG ARG S 448 20.442 41.649 7.123 1.00 0.00 ATOM 496 CD ARG S 448 21.313 42.831 7:578 1.00 0.00 ATOM 497 NE ARG S 448 21.001 43.283 8.937 1.00 0.00 ATOM 498 CZ ARG S 448 21.531 44.422 9.424 1.00 0.00 .

ATOM 499 NH1 ARG S 448 21.097 44.910 10.584 1.00 0.00 ATOM 500 NH2 ARG S 448 22.481 45.064 8.756 1.00 0.00 ATOM SO1 H ARG S 448 18.359 42.706 9.806 1.00 0.00 ATOM 502 HE ARG S 448 20.335 42.788 9.500 1.00 0.00 ATOM 503 1HH1ARG S 448 21.430 45.781 10.938 1.00 0.00 ATOM 504 2HH1ARG S 448 20.443 44.407 11.166 1.00 0.00 ATOM 505 1HH2ARG S 448 22.741 45.988 9.014 1.00 0.00 ATOM 506 2HH2ARG S 448 22.951 44.628 7.993 1.00 0.00 ATOM 507 N HIS S 449 15.650 43.000 7.953 1.00 0.00 ATOM 508 CA HIS S 449 14.277 43.153 7.487 1.00 0.00 ATOM 509 C HIS S 449 13.951 44.575 7.038 1.00 0.00 ATOM 510 O HIS S 449 13.931 44.870 5.848 1.00 0.00 ATOM 511 CB HIS S 449 13.227 42.683 8.513 1.00 0.00 ATOM 512 CG HIS S 449 13.749 41.636 9.470 1.00 0.00 ATOM 513 ND1 HIS S 449 14.569 41.937 10.493 1.00 0.00 ATOM 514 CD2 HIS S 449 13.467 40.265 9.494 1.00 0.00 ATOM 515 CE1 HIS S 449 14.804 40.760 11.162 1.00 0.00 ATOM 516 NE2 HIS S 449 14.129 39.735 10.554 1.00 0.00 ATOM 517 H HIS S 449 15.973 43.506 8.752 1.00 0.00 ATOM 518 HD1 HIS S 449 14.951 42.816 10.705 1.00 0.00 ATOM 519 N THR S 450 13.626 45.428 8.032 1.00 0.00 ATOM 520 CA THR S 450 13.173 46.806 7.795 1.00 0.00 ATOM 521 C THR S 450 12.822 47.600 9.058 1.00 0.00 ATOM 522 O THR S 450 12.599 48.805 9.018 1.00 0.00 ATOM 523 CB THR S 450 12.013 46.862 6.757 1.00 0.00 ATOM 524 OG1 THR S 450 11.743 48.196 6.306 1.00 0.00 ATOM 525 CG2 THR S 450 10.730 46.190 7.255 1.00 0.00 ATOM 526 H THR S 450 13.888 45.118 8.945 1.00 0.00 ATOM 527 HG1 THR S 450 12.483 48.478 5.767 1.00 0.00 ATOM 528 N VAL S 451 12.596 46.895 10.195 1.00 0.00 ATOM 529 CA VAL S 451 12.153 47.702 11.287 1.00 0.00 ATOM 530 C VAL S 451 13.179 48.295 12.260 1.00 0.00 ATOM 531 O VAL S 451 13.427 49.500 12.206 1.00 0.00 ATOM 532 CB VAL S 451 10.914 47.060 11.957 1.00 0.00 ATOM 533 CG1 VAL S 451 10.097 48.103 12.721 1.00 0.00 ATOM 534 CG2 VAL S 451 10.037 46.294 10.965 1.00 0.00 ATOM 535 H VAL S 451 13.116 45.993 10.321 1.00 0.00 ATOM 536 N PRO S 452 13.782 47.463 13.160 1.00 0.00 ATOM 537 CA PRO S 452 14.742 48.047 14.097 1.00 0.00 ATOM 538 C PRO S 452 16.079 48.335 13.439 1.00 0.00 ATOM 539 O PRO S 452 17.018 47.548 13.514 1.00 0.00 ATOM 540 CB PRO S 452 14.871 46.982 15.196 1.00 0.00 ATOM 541 CG PRO S 452 13.816 45.915 14.903 1.00 0.00 ATOM 542 CD PRO S 452 13.629 46.032 13.399 1.00 0.00 ATOM 543 N GLN S 453 16.120 49.513 12.808 1.00 0.00 ATOM 544 CA GLI3 S 453 17.317 49.925 12.082 1.00 0.00 ATOM 545 C GLN S 453 18.587 49.982 12.900 1.00 0.00 ATOM 546 O GLN S 453 18.581 50.139 14.121 1.00 0.00 ATOM 547 CB GLN S 453 17.038 51.254 11.420 1.00 0.00 ATOM 548 CG GLN S 453 15.926 51.091 10.389 1.00 0.00 ATOM 549 CD GLN S 453 15.375 52.450 10.056 1.00 0.00 ATOM 550 OEl GIN S 453 14.170 52.689 .10.072 1.00 0.00 ATOM 551 NE2 GLN S 453 16.305 53.354 9.751 1.00 0.00 ATOM 552 H GLN S 453 15.279 50.052 12.766 1.00 0.00 ATOM 553 1HE2 S 453 16.031 54.296 9.570 1.00 0.00 GLN

ATOM 554 2HE2 S 453 17.275 53.095 9.744 1.00 0.00 GLN

SUBSTITUTE SHEET (RULE 26) ATOM 555 N CYS S 454 19.674 49.781 12.143 1.00 0.00 ATOM 556 CA CYS S 454 20.979 49.500 12.752 1.00 0.00 ATOM 557 C CYS S 454 21.470 50.622 13.657 1.00_ 0.00 ATOM 558 O CYS S 454 20.971 51.743 13.-611 1.00 0.00 ATOM 559 CB CYS S 454 22.006 49.226 11.657 1.00 0.00 ATOM 560 SG -CYS S 454 21.338 48.159 10.350 1.00 0.00 ATOM 561 H CYS S 454 19.490 49.752 11.162 1.00 0.00 ATOM 562 N CYS S 455 22.482 50.313 14.491 1.00 0.00 ATOM 563 CA CYS S 455 22.980 51.419 15.325 1.00 0.00 ATOM 564 C CYS S 455 23.755 52.455 14.521 1. 0.00 ATOM 565 O CYS S 455 24.018 52.227 13.336 1.00 0.00 ATOM 566 CB CYS S 455 23.853 50.894 16.460 1.00 0.00 ATOM 567 SG CYS S 455 23.196 49.448 17.341 1.00 0.00 ATOM 568 H CYS S 455 22.933 49.419 14.477 1.00 0.00 ATOM 569 N TYR S 456 24.119 53.580 15.183 1.00 0.00 ATOM 570 CA TYR S 456 24.860 54.653 14.502 1.00 0.00 ATOM 571 C TYR S 456 25.450 55.690 15.461 1.00 0.00 ATOM 572 O TYR S 456 25.005 55.852 16.594 1.00 0.00 ATOM 573 CB TYR S 456 23.899 55.315 13.507 1.00 0.00 ATOM 574 CG TYR S 456 24.487 56.450 12.704 1.00 0.00 ATOM 575 CD1TYR S 456 25.356 56.181 11.631 1.00 0.00 ATOM 576 CD2TYR S 456 24.116 57.761 13.052 1.00 0.00 ATOM 577 CElTYR S 456 25.806 57.260 10.854 1.00 0.00 ATOM 578 CE2TYR S 456 24.564 58.837 12.273 1.00 0.00 ATOM 579 CZ TYR S 456 25.376 58.569 11.158 1.00 0.00 ATOM 580 OH TYR S 456 25.732 59.625 10.345 1.00 0.00 ATOM 581 H TYR S 456 23.682 53.782 16.058 1.00 0.00 ATOM 582 HH TYR S 456 26.667 59.534 1D.136 1.00 0.00 ATOM 583 N GLY S 457 26.441 56.452 14.956 1.00 0.00 ATOM 584 CA GLY S 457 26.709 57.754 15.567 1.00 0.00 ATOM 585 C GLY S 457 27.578 58.605 14.667 1.00 0.00 ATOM 586 O GLY S 457 28.272 58.076 13.811 1.00 0.00 ATOM 587 H GLY S 457 26.963 56.179 14.140 1.00 0.00 ATOM 588 N PHE S 458 27.571 59.917 14.923 1.00 0.00 ATOM 589 CA PHE S 45$ 28.646 60.677 14.289 1.00 0.00 ATOM 590 C PHE S 458 30.015 60.446 14.912 1.00 0.00 ATOM 591 O PHE S 488 31.054 60.812 14.368 1.00 0.00 ATOM 592 CB PHE S 458 28.295 62.162 14.232 1.00 0.00 ATOM 593 CG PHE S 458 27.073 62.351 13.363 1.00 0.00 ATOM 594 CD1PHE S 458 25.796 62.428 13.936 1.00 0.00 ATOM 595 CD2PHE S 458 27.231 62.450 11.963 1.00 0.00 ATOM 596 CElPHE S 458 24.660 62.606 13.150 1.00 0.00 ATOM 597 CE2PHE S 458 26.096 62.630 11.150 1.00 0.00 ATOM 598 CZ PHE S 458 24.822 62.705 11.752 1.00 0.00 ATOM 599 H PHE S 458 26.988 60.332 15.619 1.00 0.00 ATOM 600 N CYS S 459 29.996 59.778 16.079 1.00 0.00 ATOM 601 CA CYS S 459 31.253 59.146 16.496 1.00 0.00 ATOM 602 C CYS S 459 31.778 59.109 15.512 1.00 0.00 ATOM 603 O CYS S 459 32.972 57.854 15.395 1.00 0.00 ATOM 604 CB CYS S 459 31.122 58.494 17.867 1.00 0.00 ATOM 605 SG CYS S 459 30.818 59.692 19.192 1.00 0.00 ATOM 606 H CYS S 459 29.115 59.528 16.467 1.00 0.00 ATOM 607 N ILE S 460 30.830 57.504 14.786 1.00 0.00 ATOM 608 CA ILE S 460 31.293 56.464 13.872 1.00 0.00 ATOM 609 C ILE S 460 31.537 56.972 12.453 1.00 0.00 ATOM 610 0 ILE S 460 32.377 56.452 11.705 1.00 0.00 ATOM 611 CB ILE S 460 30.382 55.231 13.940 1.00 0.00 ATOM 612 CG1ILE S 460 29.950 54.935 15.387 1.00 0.00 ATOM 613 CG2ILE S 460 31.117 54.021 13.356 1.00 0.00 ATOM 614 CD1ILE S 460 31.088 54.488 16.317 1.00 0.00 ATOM 615 H ILE S 460 29.925 57.914 14.690 1.00 0.00 ATOM 616 N ASP S 461 30.869 58.108 12.169 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 617 CA ASP S 461 31.370 58.928 11.064 1.00 0.00 ATOM 618 C ASP S 461 32.714 59.562 11.410 1.00 0.00 ATOM 619 O ASP S 461 33.602 59.761 10.584 1.00- 0.00 ATOM 620 CB ASP S 461 30.316 59.933 10.557 1.00 0.00 ATOM 621 CG ASP S 461 29.111 59.192 9.986 1.00 0.00 ATOM 622 OD1 -ASP S 461 28.443 58.818 10.754 1.00 0.00 ATOM 623 OD2 ASP S 461 28.819 59.257 8.789 1.00 0.00 ATOM 624 H ASP S 461 30.045 58.376 12.672 1.00 0.00 ATOM 625 N LEU S 462 32.932 59.714 12.731 1.00 0.00 ATOM 626 CA LEU S 462 34.315 59.947 13.165 1.00 0.00 ATOM 627 C LEU S 462 35.288 58.823 12.831 1.00 0.00 ATOM 628 O LEU S 462 36.497 59.032 12.804 1.00 0.00 ATOM 629 CB LEU S 462 34.445 60.338 14.640 1.00 0.00 ATOM 630 CG LEU S 462 35.148 61.665 14.945 1.00 0.00 ATOM 631 CD1 LEU S 462 35.412 61.781 16.444 1.00 0.00 ATOM 632 CD2 LEU S 462 26.421 61.908 14.131 1.00 0.00 ATOM 633 H LEU S 462 32.162 59.694 13.366 1.00 0.00 ATOM 634 N LEU S 463 34.747 57.657 12.473 1.00 0.00 ATOM 635 CA LEU S 463 35.577 56.668 11.786 1.00 0.00 ATOM 636 C LEU S 463 35.742 56.840 10.281 1.00 0.00 ATOM 637 O LEU S 463 36.661 56.275 9.701 1.00 0.00 ATOM 638 CB LEU S 463 35.160 55.228 12.096 1.00 0.00 ATOM 639 CG LEU S 463 35.174 54.883 13.584 1.00 0.00 ATOM 640 CD1 LEU S 463 34.710 53.448 13.827 1.00 0.00 ATOM 641 CD2 LEU S 463 36.538 55.143 14.215 1.00 0.00 ATOM 642 H LEU S 463 33.768 57.557 12.611 1.00 0.00 ATOM 643 N ILE S 464 34.926 57.682 9.633 1.00 0.00 ATOM 644 CA ILE S 464 35.205 57.975 8.211 1.00 0.00 ATOM 645 C ILE S 464 36.656 58.351 7.906 1.00 0.00 ATOM 646 O ILE S 464 37.348 57.555 7.154 1.00 0.00 ATOM 647 CB ILE S 464 34.236 59.016 7.612 1.00 0.00 ATOM 648 CG1 ILE S 464 32.807 58.479 7.669 1.00 0.00 ATOM 649 CG2 ILE S 464 34.592 59.360 6.156 1.00 0.00 ATOM 650 CD1 ILE S 464 31.775 59.409 7.027 1.00 0.00 ATOM 651 H ILE S 464 34.079 57.977 10.069 1.00 0.00 ATOM 652 N LYS S 465 37.128 59.425 8.557 1.00 0.00 ATOM 653 CA LYS S 465 38.535 59.777 8.344 1.00 0.00 ATOM 654 C LYS S 465 39.601 58.763 8.741 1.00 0.00 ATOM 655 O LYS S 465 40.778 58.981 8.469 1.00 0.00 ATOM 656 CB LYS S 465 38.894 61.103 9.003 1.00 0.00 ATOM 657 CG LYS S 465 38.574 62.312 8.131 1.00 0.00 ATOM 658 CD LYS S 465 39.289 63.544 8.671 1.00 0.00 ATOM 659 CE LYS S 465 38.974 64.823 7.905 1.00 0.00 ATOM 660 NZ LYS S 465 39.913 65.868 8.325 1.00 0.00 ATOM 661 H LYS S 465 36.513 60.049 9.031 1.00 0.00 ATOM 662 1HZ LYS S 465 40.495 66.073 7.489 1.00 0.00 ATOM 663 2HZ LYS S 465 39.401 66.718 8.646 1.00 0.00 ATOM 664 3HZ LYS S 465 40.548 65.557 9.089 1.00 0.00 ATOM 665 N LEU S 466 39.156 57.684 9.402 1.00 0.00 ATOM 666 CA LEU S 466 40.119 56.695 9.882 1.00 0.00 ATOM 667 C LEU S 466 39.985 55.355 9.166 1.00 0.00 ATOM 668 O LEU S 466 40.857 54.877 8.432 1.00 0.00 ATOM 669 CB LEU S 466 39.985 56.514 11.404 1.00 0.00 ATOM 670 CG LEU S 466 39.762 57.797 12.223 1.00 0.00 ATOM 671 CD1 LEU S 466 39.515 57.485 13.699 1.00 0.00 ATOM 672 CD2 LEU S 466 40.881 58.825 12.065 1.00 0.00 ATOM 673 H LEU S 466 38.181 57.575 9.578 1.00 0.00 ATOM 674 N ALA S 467 38.812 54.730 9.383 1.00 0.00 ATOM 675 CA ALA S 467 38.497 53.429 8.792 1.00 0.00 ATOM 676 C ALA S 467 38.572 53.382 7.278 1.00 0.00 ATOM 677 O ALA S 467 39.069 52.427 6,.691 1.00 0.00 ATOM 678 CB ALA S 467 37.106 52.963 9.224 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 679 H ALA S 467 38.160 55.164 10.005 1.00 0.00 ATOM 680 N ARG S 468 38.107 54.473 6.652 1.00 0.00 ATOM 681 CA ARG S 468 38.128 54.507 5.183 1.00 0.00 ATOM 682 C ARG S 468 39.479 54.922 4.586 1.00 0.00 ATOM 683 O ARG S 468 39.571 55.627 3.584 1.00 0.00 ATOM 684 CB ARG S 468 36.946 55.352 4.669 1.00 0.00 -ATOM 685 CG ARG S 468 35.572 54.038 5.238 1.00 0.00 ~

ATOM 686 CD ARG S 468 34.388 55.740 4.664 1.00 0.00 ATOM 687 NE ARG S 468 33.109 55.401 5.308 1.00 0.00 ATOM 688 CZ ARG S 468 31.995 56.166 5.145 1.00 0.00 ATOM 689 NHl ARG S 468 30.874 55.865 5.796 1.00 0.00 ATOM 690 NH2 ARG S 468 32.D2D 57.227 4.351 1.00 0.00 ATOM 691 H ARG S 468 37.842 55.290 7.165 1.00 0.00 ATOM 692 HE ARG S 468 33.089 54.649 5.976 1.00 0.00 ATOM 693 1HH1ARG S 468 30.064 56.464 5.783 1.00 0.00 ATOM 694 2HH1ARG S 468 30.809 55.036 6.361 1.00 0.00 ATOM 695 1HH2ARG S 468 31.256 57.872 4.329 1.00 0.00 ATOM 696 2HH2ARG S 468 32.817 57.397 3.777 1.00 0.00 ATOM 697 N THR S 469 40.526 54.431 5.277 1.00 0.00 ATOM 698 CA THR 5 469 41.926 54.770 5.042 1.00 0.00 ATOM 699 C THR S 469 42.869 53.643 5.477 1.00 0.00 ATOM 700 O THR S 469 43.738 53.207 4.729 1.00 0.00 ATOM 701 CB THR S 469 42.290 56.065 5.792 1.00 0.00 ATOM 702 OG1 THR S 469 41.178 56.974 5.844 1.00 0.00 ATOM 703 CG2 THR S 469 43.526 56.744 8.201 1.00 0.00 ATOM 704 H THR S 469 40.306 53.779 5.994 1.00 0.00 ATOM 705 HG1 THR S 469 40.583 56.624 6.510 1.00 0.00 ATOM 706 N MET S 470 42.652 53.208 6.750 1.00 0.00 ATOM 707 CA MET S 470 43.650 52.414 7.493 1.00 0.00 ATOM 708 C MET S 470 44.471 51.444 6.669 1.00 0.00 ATOM 709 O MET S 470 45.689 51.547 6.570 1.00 0.00 ATOM 710 CB MET ~ 470 43.044 51.690 8.704 1.00 0.00 S

ATOM 711 CG MET S 470 42.788 52.603 9.907 1.00 0.00 ATOM 712 SD MET S 470 42.311 51.692 11.387 1.00 0.00 ATOM 713 CE MET S 470 41.945 53.100 12.447 1.00 0.00 ATOM 714 H MET S 470 41.819 53.492 7.220 1.00 0.00 ATOM 715 N ASN S 471 43.736 50.557 5.992 1.00 0.00 ATOM 716 CA ASN S 471 44.370 50.007 4.801 1.00 0.00 ATOM 717 C ASN S 47I 43.434 50.128 3.630 1.00 0.00 ATOM 718 O ASN S 471 42.247 49.825 3.714 1.00 0.00 ATOM 719 CB ASN S 471 44.799 48.553 4.977 1.00 0.00 ATOM 720 CG ASN S 471 46.143 48.479 5.661 1.00 0.00 ATOM 721 OD1 ASN S 471 47.158 48.936 5.151 1.00 0.00 ATOM 722 ND2 ASN S 471 46.137 47.838 6.821 1.00 0.00 ATOM 723 H ASN S 471 42.750 50.483 6.142 1.00 0.00 ATOM 724 1HD2ASN S 471 46.978 47.679 7.322 1.00 0.00 ATOM 725 2HD2ASN S 471 45.279 47.576 7.273 1.00 0.00 ATOM 726 N PHE S 472 44.024 50.572 2.512 1.00 0.00 ATOM 727 CA PHE S 472 43.264 50.597 1.257 1.00 0.00 ATOM 728 C PHE S 472 42.933 49.216 0.705 1.00 0.00 ATOM 729 O PHE S 472 42.035 49.013 -0.102 1.00 0.00 ATOM 730 CB PHE S 472 43.976 51.471 0.221 1.00 0.00 ATOM 731 CG PHE S 472 44.093 52.884 0.750 1.00 0.00 ATOM 732 CD1 PHE S 472 45.341 53.345 1.224 1.00 0.00 ATOM 733 CD2 PHE S 472 42.952 53.717 0.771 1.00 0.00 ATOM 734 CE1 PHE S 472 45.449 54.654 1.733 1.00 0.00 ATOM 735 CE2 PHE S 472 43.058 55.026 1.279 1.00 0.00 ATOM 736 CZ PHE S 472 44.305 55.480 1.756 1.00 0.00 ATOM 737 H PHE S 472 44.965 50.914 2.566 1.00 0.00 ATOM 738 N THR S 473 43.660 48.230 1.255 1.00 0.00 ATOM 739 CA THR S 473 43.158 46.873 1.087 1.00 0.00 ATOM 740 C THR S 473 42.016 46.545 2.D56 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 741 O THR S 473 42.103 45.714 2.957 1.00 0.00 ATOM 742 CB THR S 473 44.338 45.880 1.116 1.00 0.00 ATOM 743 OG1 THR S 473 43.915 44.559 0.775 1.00 0.00 ATOM 744 CG2 THR S 473 45.147 45.887 2:416 1.00 0.00 ATOM 745 H THR S 473 44.363 48.459 1.921 1.00 0.00 ATOM 746 HG1 THR S 473 43.298 44.303 1.453 1.00 0.00 _ ATOM 747 N TYR S 474 40.904 47.249 1.802 1.00 0.00 ATOM 748 CA TYR S 474 39.624 46.979 2.449 1.00 0.00 ATOM 749 C TYR S 474 39.555 47.140 3.964 1.00 0.00 ATOM 750 O TYR S 474 38.558 46.760 4.576 1.00 0.00 ATOM 751 CB TYR S 474 39.042 45.606 2.041 1.00 0.00 ATOM 752 CG TYR S 474 39.219 45.297 0.565 1.00 0.00 ATOM 753 CD1 TYR S 474 40.253 44.417 0.183 1.00 0.00 ATOM 754 CD2 TYR S 474 38.354 45.876 -0.389 1.00 0.00 ATOM 755 CE1 TYR S 474 40.435 44.117 -1.177 1.00 0.00 ATOM 756 CE2 TYR S 474 38.530 45.567 -1.751 1.00 0.00 ATOM 757 CZ TYR S 474 39.573 44.696 -2.130 1.00 0.00 ATOM 758 OH TYR S 474 39.772 44.399 -3.468 1.00 0.00 ATOM 759 H TYR S 474 40.949 47.933 1.074 1.00 0.00 ATOM 760 HH TYR S 474 40.714 44.379 -3.591 1.00 0.00 ATOM 761 N GLU S 475 40.599 47.712 4.587 1.00 0.00 ATOM 762 CA GLU S 475 40.574 47.703 6.053 1.00 0.00 ATOM 763 C GLU S 475 39.794 48.808 6.757 1.00 0.00 ATOM 764 O GLU S 475 40.215 49.425 7.734 1.00 0.00 ATOM 765 CB GLU S 475 41.962 47.480 6.660 1.00 0.00 ATOM 766 CG GLU S 475 41.940 46.853 8.061 1.00 0.00 ATOM 767 CD GLU S 475 43.338 46.769 8.644 1.00 0.00 ATOM 768 OEl GLU S 475 43.981 47.811 8.788 1.00 0.00 ATOM 769 OE2 GLU S 475 43.779 45.663 8.966 1.00 0.00 ATOM 770 H GLU S 475 41.365 48.095 4.068 1.00 0.00 ATOM 771 N VAL S 476 38.561 48.962 6.255 1.00 0.00 ATOM 772 CA VAL S 476 37.514 49.475 7.133 1.00 0.00 ATOM 773 C VAL S 476 37.283 48.569 8.341 1.00 0.00 ATOM 774 0 VAL S 476 37.877 47.495 8.491 1.00 0.00 ATOM 775 CB VAL S 476 36.214 49.698 6.343 1.00 0.00 ATOM 776 CG1 VAL S 476 36.414 50.771 5.270 1.00 0.00 ATOM 777 CG2 VAL S 476 35.654 48.396 5.757 1.00 0.00 ATOM 778 H VAL S 476 38.304 48.507 5.407 1.00 0.00 ATOM 779 N HIS S 477 36.414 49.072 9.221 1.00 0.00 ATOM 780 CA HIS S 477 36.089 48.258 10.382 1.00 0.00 ATOM 781 C HIS S 477 35.062 47.182 10.101 1.00 0.00 ATOM 782 O HIS S 477 34.417 47.085 9.060 1.00 0.00 ATOM 783 CB HIS S 477 35.653 49.131 11.563 1.00 0.00 ATOM 784 CG HIS S 477 36.873 49.738 12.211 1.00 0.00 ATOM 785 ND1 HIS S 477 37.943 49.023 12.603 1.00 0.00 ATOM 786 CD2 HIS S 477 37.108 51.084 12.503 1.00 0.00 ATOM 787 CE1 HIS S 477 38.875 49.900 13.132 1.00 0.00 ATOM 788 NE2 HIS S 477 30.337 51.172 13.073 1.00 0.00 ATOM 789 H HIS S 477 35.814 49.820 8.950 1.00 0.00 ATOM 790 HD1 HIS S 477 38.065 48.049 12.576 1.00 0.00 ATOM 791 N LEU S 478 34.934 46.330 11.122 1.00 0.00 ATOM 792 CA LEU S 478 33.935 45.269 11.085 1.00 0.00 ATOM 793 C LEU S 478 33.343 45.091 12.468 1.00 0.00 ATOM 794 O LEU S 478 33.764 45.704 13.449 1.00 0.00 ATOM 795 CB LEU S 478 34.551 43.964 10.570 1.00 0.00 ATOM 796 CG LEU S 478 33.560 43.015 9.883 1.OO 0.00 ATOM 797 CDI LEU S 478 32.998 43.613 8.'592 I.00 0.00 ATOM 798 CD2 LEU S 478 34.141 41.616 9.679 1.00 0.00 ATOM 799 H LEU S 478 35.360 46.496 12.015 1.00 0.00 ATOM 800 N VAL S 479 32.314 44.233 12.526 1.00 0.00 ATOM BO1 CA VAL 5 479 31.576 43.932 13.754 1.00 0.00 ATOM 802 C VAL S 479 30.555 42.877 13.384 1.00 0.00 17~
SUBSTITUTE SHEET (RULE 26) ATOM 803 O VAL S 479 30.092 42.879 12.249 1.00 0.00 ATOM 804 CB VAL S 479 30.893 45.210 14.293 1.00 0.00 ATOM 805 CG1 VAL S 479 30.019 45.863 13.220 1.00 0.00 ATOM 806 CG2 VAL S 479 30.170 45.014 15:361 1.00 0.00 ATOM 807 H VAL S 479 31.991 43.836 11.664 1.00 0.00 ATOM 808 N ALA S 480 30.211 42.011 14.349 1.00 0.00 .

ATOM 809 CA ALA S 480 29.016 41.196 14.125 1.00 0.00 ATOM 810 C ALA S 480 27.835 41.968 14.703 1.00 0.00 ATOM 811 O ALA S 480 27.719 43.173 14.449 1.00 0.00 ATOM 812 CB ALA S 480 29.219 39.817 14.766 1.00 0.00 ATOM 813 H ALA S 480 30.572 42.130 15.273 1.00 0.00 ATOM 814 N ASP S 481 27.010 41.310 15.536 1.00 0.00 ATOM 815 CA ASP S 481 26.420 42.066 16.642 1.00 0.00 ATOM 816 C ASP S 481 27.524 42.608 17.552 1.00 0.00 ATOM 817 O ASP S 481 28.708 42.294 17.373 1.00 0.00 ATOM 818 CB ASP S 481 25.486 41.143 17.446 1.00 0.00 ATOM 819 CG ASP S 481 26.310 40.163 18.276 1.00 0.00 ATOM 820 OD1 ASP S 481 26.369 40.327 19.492 1.00 0.00 ATOM 821 OD2 ASP S 481 26.942 39.279 17.706 1.00 0.00 ATOM 822 H ASP S 481 27.046 40.322 15.673 1.00 0.00 ATOM 823 N GLY S 482 27.108 43.356 18.574 1.00 0.00 ATOM 824 CA GLY S 482 28.124 43.857 19.493 1.00 0.00 ATOM 825 C GLY S 482 27.657 43.799 20.930 1.00 0.00 ATOM 826 O GLY S 482 27.577 44.690 21.751 1.00 0.00 ATOM 827 H GLY S 482 26.126 43.386 18.732 1.00 0.00 ATOM 828 N LYS S 483 26.891 42.738 21.202 1.00 0.00 ATOM 829 CA LYS S 483 26.034 42.850 22.376 1.00 0.00 ATOM 830 C LYS S 483 26.588 42.367 23.702 1.00 0.00 ATOM 831 O LYS S 483 26.202 41.379 24.313 1.00 0.00 ATOM 832 CB LYS S 483 24.601 42.396 22.068 1.00 0.00 ATOM 833 CG LYS S 483 23.730 43.603 21.667 1.00 0.00 ATOM 834 CD LYS S 483 24.293 44.386 20.474 1.00 0.00 ATOM 835 CE LYS S 483 23.894 45.856 20.423 1.00 0.00 ATOM 836 NZ LYS S 483 24.925 46.612 19.700 1.00 0.00 ATOM 837 H LYS S 483 26.815 41.953 20.852 1.00 0.00 ATOM 838 1HZ LYS S 483 25.118 46.303 18.731 1.00 0.00 ATOM 839 2HZ LYS S 483 24.644 47.611 19.702 1.00 0.00 ATOM 840 3HZ LYS S 483 25.832 46.567 20.197 1.00 0.00 ATOM 841 N PHE S 484 27.520 43.235 24.159 1.00 0.00 ATOM 842 CA PHE S 484 27.960 43.319 25.554 1.00 0.00 ATOM 843 C PHE S 484 28.597 42.088 26.169 1.00 0.00 ATOM 844 O PHE S 484 29.817 41.941 26.196 1.00 0.00 ATOM 845 CB PHE S 484 26.859 43.889 26.469 1.00 0.00 ATOM 846 CG PHE S 484 26.264 45.145 25.880 1.00 0.00 ATOM 847 CD1 PHE S 484 24.969 45.092 25.320 1.00 0.00 ATOM 848 CD2 PHE S 484 27.010 46.344 25.896 1.00 0.00 ATOM 849 CE1 PHE S 484 24.410 46.254 24.757 1.00 0.00 ATOM 850 CE2 PHE S 484 26.452 47.507 25.334 1.00 0.00 ATOM 851 CZ PHE S 484 25.160 47.448 24.770 1,00 0.00 ATOM 852 H PHE S 484 27.823 43.941 23.520 1.00 0.00 ATOM 853 N GLY S 485 27.738 41.225 26.713 1.00 0.00 ATOM 854 CA GLY S 485 28.249 40.197 27.612 1.00 0.00 ATOM 855 C GLY S 485 28.411 40.692 29.041 1.00 0.00 ATOM 856 O GLY S 485 28.290 41.876 29.354 1.00 0.00 ATOM 857 H GLY S 485 26.764 41.314 26.499 1.00 0.00 ATOM 858 N THR S 486 28.696 39.718 29.908 1.00 0.00 ATOM 859 CA THR S 486 28.836 39.983 31.342 1.00 0.00 ATOM 860 C THR S 486 29.868 41.035 31.736 1.00 0.00 ATOM 861 O THR S 486 31.080 40.810 31.659 1.00 0.00 ATOM 862 CB THR S 486 29.138 38.663 32.043 1.00 0.00 ATOM 863 OGl THR S 486 30.317 38.057 31.479 1.00 0.00 ATOM 864 CG2 THR S 486 27.956 37.694 31.974 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 865 H THR S 486 28.766 38.776 29.584 1.00 0.00 ATOM 866 HG1 THR S 486 30.834 38.812 31.197 1.00 0.00 ATOM 867 N GLN S 487 29.318 42.193 32.124 1.00 0.00 ATOM 868 CA GLN S 487 30.179 43.245 32:651 1.00 0.00 ATOM 869 C GLN S 487 30.106 43.205-34.154 1.00 0.00 ATOM 870 O GLN S 487 29.129 43.643 34.759 1.00 0.00 I

ATOM 871 CB 'GLNS 487 29.749 44.632 32.175 1.00 0.00 ATOM 872 CG GLN S 487 30.811 45.687 32.505 1.00 0.00 ATOM 873 CD GLN S 487 30.210 47.073 32.441 1.00 0.00 ATOM 874 OE1 GLN S 487 29.281 47.371 31.693 1.00 0.00 ATOM 875 NE2 GLN S 487 30.762 47.920 33.318 1.00 0.00 ATOM 876 H GLN S 487 28.338 42.224 32.287 1.00 0.00 ATOM 877 1HE2GLN S 487 30.336 48.082 33.532 1.00 0.00 ATOM 878 2HE2GLN S 487 31.615 47.681 33.780 1.00 0.00 ATOM 879 N GLU S 488 31.158 42.619 34.724 1.00 0.00 ATOM 880 CA GLU S 488 31.127 42.278 36.141 1.00 0.00 ATOM 881 C GLU S 488 32.221 43.028 36.887 1.00 0.00 ATOM 882 O GLU S 488 32.883 43.898 36.337 1.00 0.00 ATOM 883 CB GLU S 488 31.328 40.763 36.260 1.00 0.00 ATOM 884 CG GLU S 488 30.268 39.900 35.563 1.00 0.00 ATOM 885 CD GLU S 488 30.701 38.442 35.437 1.00 0.00 ATOM 886 OE1 GLU S 488 29.976 37.661 34.837 1.00 0.00 ATOM 887 OE2 GLU S 488 31.769 38.059 35.899 1.00 0.00 ATOM 888 H GLU S 488 31.962 42.397 34.172 1.00 0.00 ATOM 889 N ARG S 489 32.443 42.589 38.158 1.00 0.00 ATOM 890 CA ARG S 489 33.714 42.862 38.816 1.00 0.00 ATOM 891 C ARG S 489 34.960 42.573 37.977 1.00 0.00 ATOM 892 O ARG S 489 34.966 41.712 37.100 1.00 0.00 ATOM 893 CB ARG S 489 33.789 42.092 40.181 1.00 0.00 ATOM 894 CG ARG S 489 34.131 40.590 40.062 1.00 0.00 ATOM 895 CD ARG S 489 33.091 39.759 39.304 1.00 0.00 ATOM 896 NE ARG .S 489 33.558 38.414 38.990 1.00 0.00 ATOM 897 CZ ARG S 489 34.127 38.127 37.796 1.00 0.00 ATOM 898 NH1 ARG S 489 34.492 36.864 37.591 1.00 0.00 ATOM 899 NH2 ARG S 489 34.341 39.062 36.869 1.00 0.00 ATOM 900 H ARG S 489 31.582 42.134 38.588 1.00 0.00 ATOM 901 HE ARG S 489 33.434 37.732 39.710 1.00 0.00 ATOM 902 1HH1ARG S 489 34.938 36.575 36.742 1.00 0.00 ATOM 903 2HH1ARG S 489 34.338 36.167 38.293 1.00 0.00 ATOM 904 1HH2ARG S 489 34.770 38.917 35.972 1.00 0.00 ATOM 905 2HH2ARG S 489 34.071 40.009 37.050 1.00 0.00 ATOM 906 N VAL S 490 36.020 43.314 38.309 1.00 0.00 ATOM 907 CA VAL S 490 37.302 43.139 37.620 1.00 0.00 ATOM 908 C VAL S 490 38.057 41.929 38.153 1.00 0.00 ATOM 909 O VAL S 490 38.259 41.776 39.350 1.00 0.00 ATOM 910 CB VAL S 490 38.098 44.440 37.760 1.00 0.00 ATOM 911 CG1 VAL S 490 39.477 44.400 37.095 1.00 0.00 ATOM 912 CG2 VAL S 490 37.239 45.592 37.235 1.00 0.00 ATOM 913 H VAL S 490 35.934 43.916 39.102 1.00 0.00 ATOM 914 N ASN S 491 38.388 41.029 37.222 1.00 0.00 ATOM 915 CA ASN S 491 38.824 39.684 37.593 1.00 0.00 ATOM 916 C ASN 5 491 39.869 39.062 36.665 1.00 0.00 ATOM 917 O ASH S 491 39.734 37.937 36.177 1.00 0.00 ATOM 918 CH ASN S 491 37.556 38.839 37.730 1.00 0.00 ATOM 919 CG ASN S 491 37.785 37.422 38.213 1.00 0.00 ATOM 920 ODl ASN S 491 37.196 36.480 37.692 1.00 0.00 ATOM 921 ND2 ASN S 491 38.620 37.292 39.243 1.00 0.00 ATOM 922 H ASN S 491 38.269 41.303 36.266 1.00 0.00 ATOM 923 1HD2ASN S 491 39.035 38.102 39.666 1.00 0.00 ATOM 924 2HD2ASN S 491 38.836 36.393 39.616 1.00 0.00 ATOM 925 N ASN S 492 40.948 39.842 36.476 1.00 0.00 ATOM 926 CA ASN S 492 42.122 39.434 35.684 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 927 C ASN S 492 42.688 38.054 35.993 1.00 0.00 ATOM 928 O ASN S 492 43.293 37.380 35.158 1.00 0.00 ATOM 929 CB ASN S 492 43.230 40.481 35.814 1.00_ 0.00 ATOM 930 CG ASN S 492 44.172 40.461 34.619 1.00 0.00 ATOM 931 OD1 ASN S 492 44.716 39.438 34.198 1.00 0.00 ATOM 932 ND2 _ASN S 492 44.431 41.683 34.142 1.00 0.00 ATOM 933 H ASN S 492 40.893 40.771 36.840 1.00 0.00 ATOM 934 1HD2ASN S 492 43.794 42.429 34.351 1.00 0.00 ATOM 935 2HD2ASN S 492 45.239 41.824 33.568 1.00 0.00 ATOM 936 N SER S 493 42.415 37.633 37.233 1.00 0.00 ATOM 937 CA SER S 493 42.701 36.284 37.719 1.00 0.00 ATOM 938 C SER 5 493 42.368 35.129 36.775 1.00 0.00 ATOM 939 O SER S 493 43.136 34.183 36.634 1.00 0.00 ATOM 940 CH SER S 493 42.011 36.142 39.072 1.00 0.00 ATOM 941 OG SER S 493 41.927 37.443 39.682 1.00 0.00 ATOM 942 H SER S 493 42.022 38.303 37.867 1.00 0.00 ATOM 943 HG SER S 493 42.286 37.350 40.559 1.00 0.00 ATOM 944 N ASN S 494 41.213 35.281 36.104 1.00 0.00 ATOM 945 CA ASN S 494 41.027 34.543 34.853 1.00 0.00 ATOM 946 C ASN S 494 40.323 35.387 33.818 1.00 0.00 ATOM 947 O ASN S 494 39.302 35.028 33.238 1.00 0.00 ATOM 948 CB ASN S 494 40.329 33.183 34.935 1.00 0.00 ATOM 949 CG ASN S 494 40.528 32.424 33.674 1.00 0.00 ATOM 950 OD1 ASN S 494 41.642 32.254 33.189 1.00 0.00 ATOM 951 ND2 ASN S 494 39.406 31.969 33.111 1.00 0.00 ATOM 952 H ASN S 494 40.574 36.001 36.373 1.00 0.00 ATOM 953 1FB72ASN S 494 38.508 32.176 33.491 1.00 0.00 ATOM 954 2HD2ASN S 494 49.496 31.404 32.295 1.00 0.00 ATOM 955 N LYS S 495 40.936 36.566 33.628 1.00 0.00 ATOM 956 CA LYS S 495 40.699 37.386 32.439 1.00 0.00 ATOM 957 C LYS S 495 39.244 37.796 32.221 1.00 0.00 ATOM 958 O LYS S 495 38.790 38.143 31.135 1.00 0.00 ATOM 959 CB LYS S 495 41.345 36.706 31.215 1.00 0.00 ATOM 960 CG LYS S 495 42.886 36.613 31.262 1.00 0.00 ATOM 961 CD LYS S 495 43.548 35.637 32.256 1.00 0.00 ATOM 962 CE LYS S 495 45.044 35.862 32.553 1.00 0.00 ATOM 963 NZ LYS S 495 45.285 37.043 33.400 1.00 0.00 ATOM 964 H LYS S 495 41.734 36.708 34.209 1.00 0.00 ATOM 965 1HZ LYS S 495 46.281 37.042 33.677 1.00 0.00 ATOM 966 2HZ LYS S 495 45.091 37.966 32.947 1.00 0.00 ATOM 967 3HZ LYS S 495 44.704 36.986 34.262 1.00 0.00 ATOM 968 N LYS S 496 38.536 37.753 33.358 1.00 0.00 ATOM 969 CA LYS S 496 37.087 37.893 33.353 1.00 0.00 ATOM 970 C LYS S 496 36.677 39.307 33.697 1.00 0.00 ATOM 971 O LYS S 496 35.930 39.558 34.645 1.00 0.00 ATOM 972 CB LYS S 496 36.489 36.881 34.336 1.00 0.00 ATOM 973 CG LYS S 496 35.307 36.028 33.852 1.00 0.00 ATOM 974 CD LYS S 496 33.996 36.775 33.581 1.00 0.00 ATOM 975 CE LYS S 496 32.821 35.799 33.426 1.00 0.00 ATOM 976 NZ LYS S 496 31.583 36.529 33.159 1.00 0.00 ATOM 977 H LYS S 496 39.027 37.684 34.226 1.00 0.00 ATOM 978 1HZ LYS S 496 31.495 36.874 32.176 1.00 0.00 ATOM 979 2HZ LYS S 496 30.770 35.928 33.359 1.00 0.00 ATOM 980 3HZ LYS S 496 31.472 37.312 33.841 1.00 0.00 ATOM 981 N GLU S 497 37.207 40.211 32.865 1.00 0.00 ATOM 982 CA GLU S 497 36.952 41.634 33.103 1.00 0.00 ATOM 983 C GLU S 497 35.622 42.124 32.533 1.00 0.00 ATOM 984 O GLU S 497 35.004 43.074 33.020 1.00 0.00 ATOM 985 CB GLU S 497 38.105 42.477 32.547 1.00 0.00 ATOM 986 CG GLU S 497 39.519 41.866 32.584 1.00 0.00 ATOM 987 CD GLU S 497 40.227 42.044 33.917 1.00 0.00 ATOM 988 OE1 GLU S 497 39.593 41.946 34.959 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 989 OE2 GLU S 497 41.432 42.278 33.917 1.00 0.00 ATOM 990 H GLU S 497 37.776 39.884 32.109 1.00 0.00 ATOM 991 N TRP S 498 35.240 41.398 31.465 1.00 0.00 ATOM 992 CA TRP S 498 33.956 41.498-30.777 I.00 0.00 ATOM 993 C TRP S 498 33.936 40.243 29.905 1.00 0.00 ATOM 994 O S 498 35.003 39.779 29.509 1.00 0.00 -_TRP

ATOM 995 CB TRP S 498 34.004 42.780 29.925 1.00 0.00 ATOM 996 CG TRP S 498 32.685 43.096 29.499 1.00 0.00 ATOM 997 CD1 TRP S 498 31.440 42.782 29.300 1.00 0.00 ATOM 998 CD2 TRP S 498 32.458 44.788 29.182 1.00 0.00 ATOM 999 NE1 TRP S 498 30.492 43.674 28.900 1.00 0.00 ATOM 1000CE2 TRP S 498 31.076 44.929 28.815 1.00 0.00 ATOM 1001 TRP S 498 33.305 45.916 29.164 1.00 0.00 ATOM 1002 TRP S 498 30.568 46.194 28.448 1.00 0.00 ATOM 1003 TRP S 498 32.785 47.172 28.787 1.00 0.00 ATOM 1004 TRP S 498 31.425 47.313 28.435 1.00 0.00 ATOM 1005H TRP S 498 35.880 40.725 31.096 1.00 0.00 ATOM 1006 TRP S 498 29.557 43.437 28.700 1.00 0.00 ATOM 1D07N ASN S 499 32.758 39.714 29.566 1.00 0.00 ATOM 1008 ASN S 499 32.805 38.369 28.362 1.00 0.00 CA

ATOM 1009C ASN S 499 32.691 39.767 27.138 1.00 0.00 ATOM 10100 ASN S 499 32.796 40.981 27.306 1.00 0.00 ATOM 1011 ASN S 499 31.752 37.757 28.408 1.00 0.00 CB

ATOM 1012 ASN S 499 32.305 36.575 29.190 1.00 0.00 CG

ATOM 1013 ASN S 499 32.180 36.466 30.413 1.00 0.00 ATOM 1014 ASN S 499 32.950 35.681 28.431 1.00 0.00 ATOM 1015H ASN S 499 31.940 40.118 29.906 1.00 0.00 ATOM 1016 ASN S 499 33.356 34.846 28.794 1.00 0.00 ATOM 10172HD2ASN S 499 33.006 35.809 27.434 1.00 0.00 ATOM 1018 GLY S 500 32.490 39.180 25.943 1.00 0.00 N

ATOM 1019CA GLY S 500 31.984 39.907 24.767 1.00 0.00 ATOM 1020C GLY S 500 32.716 41.156 24.297 1.00 0.00 ATOM 1021 GLY S 500 33.520 41.169 23.361 1.00 0.00 ATOM 2022 GLY S 500 32.683 38.198 25.848 1.00 0.00 H

ATOM 1023 MET S 501 32.364 42.247 24.990 1.00 0.00 N

ATOM 1024 MET S 501 32.956 43.558 24.736 1.00 0.00 CA

ATOM 1025 MET S 501 34.433 43.655 25.046 1.00 0.00 C

ATOM 10260 MET S 501 35.164 44.443 24.457 1.00 0.00 ATOM 1027 MET S 501 32.216 44.625 25.534 1.00 0.00 CB

ATOM 1028 MET S 501 31.048 45.302 24.820 1.00 0.00 CG

ATOM 1029SD MET S 501 31.600 46.529 23.626 1.00 0.00 ATOM 1030 MET S 501 29.975 47.174 23.209 1.00 0.00 CE

ATOM 1031H MET S 501 31.791 42.053 25.789 1.00 0.00 ATOM 1032 MET S 502 34.851 42.835 26.014 1.00 0.00 N

ATOM 1033 MET S 502 36.282 42.712 26.284 1.00 0.00 CA

ATOM 1034 MET S 502 36.746 41.273 26.211 1.00 0.00 C

ATOM 10350 MET S 502 37.864 40.947 25.812 1.00 0.00 ATOM 1036 MET S 502 36.643 43.306 27.642 1.00 0.00 CB

ATOM 1037 MET S 502 38.147 43.352 27.920 1.00 0.00 CG

ATOM 1038SD MET S 502 38.532 43.813 29.614 1.00 0.00 ATOM 1039CE MET S 502 37.385 45.187 29.807 1.00 0.00 ATOM 1040H MET S 502 34.174 42.197 26.376 1.00 0.00 ATOM 1041 GLY S 503 35.817 40.387 26.596 1.00 0.00 N

ATOM 1042 GLY S 503 36.003 38.961 26.320 1.00 0.00 CA

ATOM 1043 GLY S 503 36.434 38.700 24.892 1.00 0.00 C

ATOM 1044 GLY S 503 37.442 38.056 24.625 1.00 0.00 O

ATOM 1045H GLY S 503 34.996 40.752 27.033 1.00 0.00 ATOM 1046 GLU S 504 35.691 39.328 23.970 1.00 0.00 N

ATOM 1047 GLU S 504 36.150 39.086 22.609 1.00 0.00 CA

ATOM 1048 GLU S 504 37.179 40.073 22.093 1.00 0.00 C

ATOM 10490 GLU S 504 37.780 39.895 21.033 1.00 0.00 ATOM 1050CB GLU S 504 34.988 38.831 21.642 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM1051 CG GLU S 504 33.834 37.921 22.123 1.00 0.00 ATOM1052 CD GLU S 504 34.226 36.936 23.221 1.00 0.00 ATOM1053 OE1 GLU S 504 35.132 36.125 23.027 1.00 0.00 ATOM1054 OE2 GLU S 504 33.633 37.013_24.295 1.00 0.00 ATOM1055 H GLU S 504 34.930 39.930 24.218 1.00 0.00 ATOM1056 N LEU S 505 37.411 41.099 22.928 1.00 0.00 -ATOM1057 CA _ S 505 38.707 41.754 22.779 1.00 0.00 LEU

ATOM1058 C LEU S 505 3_9.89840.881 23.152 1.00 0.00 ATOM1059 O LEU S 505 41.013 41.113 22.684 1.00 0.00 ATOM1060 CB LEU S 505 38.782 43.071 23.558 1.00 0.00 ATOM1061 CG LEU S 505 38.622 44.332 22.707 1.00 0.00 ATOM1062 CD1 LEU S 505 37.240 44.459 22.075 1.00 0.00 ATOM1063 CD2 LEU S 505 38.980 45.587 23.497 1.00 0.00 ATOM1064 H LEU S 505 36.889 41.220 23.766 1.00 0.00 ATOM1065 N LEU S 506 39.629 39.894 24.022 1.00 0.00 ATOM1066 CA LEU S 506 40.672 38.933 24.388 1.00 0.00 ATOM1067 C LEU S 506 40.618 37.641 23.584 1.00 0.00 ATOM1068 O LEU S 506 41.566 36.862 23.520 1.00 0.00 ATOM1069CB LEU S 506 40.618 38.639 25.890 1.00 0.00 ATOM1070 CG LEU S 506 40.759 39.887 26.771 1.00 0.00 ATOM1071 CD1 LEU S 506 40.437 39.587 28.235 1.00 0.00 ATOM1072 CD2 LEU S 506 42.117 40.574 26.606 1.00 0.00 ATOM1073 H LEU S 506 38.673 39.736 24.260 1.00 0.00 ATOM1074 N SER S 507 39.466 37.438 22.920 1.00 0.00 ATOM1075CA SER S 507 39.417 36.267 22.046 1.00 0.00 ATOM1076 C SER S 507 39.655 36.574 20.575 1.00 0.00 ATOM1077 O SER S 507 39.881 35.963 19.755 1.00 0.00 ATOM1078 CB SER S 507 38.136 35.443 22.246 1.00 0.00 ATOM107906 SER S 507 37.864 35.223 23.644 1.00 0.00 ATOM1O80H SER S 507 38.677 38.015 23.122 1.00 0.00 ATOM1081 HG SER S 507 37.087 35.763 23.831 1.00 0.00 ATOM1082 N GLY S 508 39.638 37.874 20.242 1.00 0.00 ATOM1083 CA GLY S 508 40.126 38.161 18.897 1.00 0.00 ATOM1084 C GLY S 508 39.047 38.459 17.877 1.00 0.00 ATOM1085 O GLY S 508 39.306 39.092 16.857 1.00 0.00 ATOM1086 H GLY S 508 39.259 38.585 20.832 1.00 0.00 ATOM1087 N GLN S 509 37.817 38.029 18.211 1.00 0.00 ATOM1088 CA GLN S 509 36.652 38.500 17.459 1.00 0.00 ATOM1089C GLN S 509 36.620 40.014 17.272 1.00 0.00 ATOM10900 GLN S 509 36.167 40.532 16.251 1.00 0.00 ATOM1091 CB GLN S 509 35.350 38.078 18.152 1.00 0.00 ATOM1092 CG GLN S 509 34.857 36.629 18.019 1.00 0.00 ATOM1093 CD GLN S 509 35.827 35.614 18.594 1.00 0.00 ATOM1094 OE7 GLN S 509 36.628 35.034 17.870 1.00 0.00 ATOM1095NE2 GLN S 509 35.690 35.369 19.905 1.00 0.00 ATOM1096 H GLN S 509 37.723 37.391 18.972 1.00 0.00 ATOM1097 1HE2GLN S 509 36.196 34.595 20.296 1.00 0.00 ATOM1098 2HE2GLN S 509 35.067 35.891 20.499 1.00 0.00 ATOM1099N ALA S 510 37.103 40.688 18.327 1.00 0.00 ATOM1100 CA ALA S 510 37.127 42.141 18.383 1.00 0.00 ATOM1101 C ALA S 510 38.423 42.687 18.956 1.00 0.00 ATOM11020 ALA S 510 39.100 42.089 19.800 1.00 0.00 ATOM1103 CB ALA S 510 35.950 42.648 19.217 1.00 0.00 ATOM1104 H ALA S 510 37.513 40.172 19.080 1.00 0.00 ATOM1105N ASP S 511 38.741 43.871 18.438 1.00 0.00 ATOM1106 CA ASP S 511 39.993 44.506 18.835 1.00 0.00 ATOM1107C ASP S 511 39.741 45.753 19.657 1.00 0.00 ATOM11080 ASP S 511 40.434 46.132 20.604 1.00 0.00 ATOM1109CB ASP S 511 40.796 44.925 17.602 1.00 0.00 ATOM1110 CG ASP S 511 40.974 43.821 16.580 1.00 0.00 ATOM1111 OD1 ASP S 511 42.005 43.165 16.575 1.00 0.00 ATOM1112 OD2 ASP S 511 40.093 43.623 15.757 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 1113 ASP S 511 38.130 44.283 17.765 1.00 0.00 H

ATOM 1114 MET S 512 38.698 46.433 19.191 1.00 0.00 N

ATOM 1115 MET S 512 38.498 47.774 19.688 1.OD 0.00 CA

ATOM 1116 MET S 512 37.080 48.092 20.059 1.00 0.00 C

ATOM 1117 MET S 512 36.129 48.128 19.268 1.00 0.00 O

ATOM 1118 MET S 512 39.022 48.805 18.693 1.00 0.00 CB -ATOM _ MET S 512 38.666 48.536 17.234 1.00 0.00 CG

ATOM 1120 MET S 512 38.992 49.967 16.203 1.00 0.00 SD

ATOM 1121 MET S 512 40.631 50.353 16.809 1.00 0.00 CE

ATOM 1122 MET S 512 38.125 46.075 18.459 1.00 0.00 H

ATOM 1123 ILE S 513 36.941 48.420 21.349 1.00 0.00 N

ATOM 1124 ILE S 513 35.709 49.155 21.593 1.00 0.00 CA

ATOM 1125C ILE S 513 35.877 50.555 21.027 1.00 0.00 ATOM 1126 ILE S 513 36.906 51.194 21.227 1.00 0.00 O

ATOM 1127 ILE S 513 35.287 49.151 23.065 1.00 0.00 CB

ATOM 1128CG1 ILE S 513 35.569 47.784 23.703 1.00 0.00 ATOM 1129CG2 ILE S 513 33.794 49.489 23.123 1.00 0.00 ATOM 1130CD1 ILE S 513 35.265 47.710 25.201 1.00 0.00 ATOM 1131 ILE S 513 37.770 48.460 21.915 1.00 0.00 H

ATOM 1132 VAL S 514 34.860 50.884 20.199 1.00 0.00 N

ATOM 1133 VAL S 514 34.806 52.218 19.590 1.00 0.00 CA

ATOM 1134 VAL S 514 33.434 52.836 19.742 1.00 0.00 C

ATOM 11350 VAL S 514 33.302 54.054 19.792 1.00 0.00 ATOM 1136 VAL S 514 35.221 52.237 18.114 1.00 0.00 CB

ATOM 1137 VAL S 514 35.323 53.658 17.552 1.00 0.00 ATOM 1138 VAL S 514 36.517 51.478 17.891 1.00 0.00 ATOM 1139H VAL S 514 34.155 50.182 20.070 1.00 0.00 ATOM 1140 ALA S 515 32.431 51.930 19.924 1.00 0.00 N

ATOM 1141 ALA S 515 31.175 52.379 20.535 1.00 0.00 CA

ATOM 1142 ALA S 515 31.484 53.244 21.729 1.00 0.00 C

ATOM 1143 ALA S 518 32.246 52.778 22.579 1.00 0.00 O

ATOM 1144 ALA S 815 30.421 51.184 21.094 1.00 0.00 CB

ATOM 1145H ALA S 515 32.516 50.969 19.660 I.00 0.00 ATOM 1146 PRO S 516 30.967 54.505 21.705 1.00 0.00 N

ATOM 1147 PRO S 516 31.407 55.539 22.650 1.00 0.00 CA

ATOM 1248 PRO S 516 31.682 55.021 24.041 1.00 0.00 C

ATOM 11490 PRO S 516 30.795 54.749 24.854 1.00 0.00 ATOM 1150 PRO S 516 30.288 56.574 22.536 1.00 0.00 CB

ATOM 1151 PRO S 816 29.910 56.506 21.057 1.00 0.00 CG

ATOM 1152 PRO S 516 29.985 55.013 20.748 1.00 0.00 CD

ATOM 1153 LEU S 517 32.982 54.798 24.236 1.00 0.00 N

ATOM 1154 LEU S 517 33.429 53.996 25.364 1.00 0.00 CA

ATOM 1155C LEU S 517 33.909 54.921 26.432 1.00 0.00 ATOM 1156 LEU S 517 34.367 56.031 26.176 1.00 0.00 O

ATOM 1157 LEU S 517 34.550 53.045 24.938 1.00 0.00 CB

ATOM 1158 LEU S 517 34.978 52.093 26.058 1.00 0.00 CG

ATOM 1159 LEU S 517 33.905 51.060 26.395 1.00 0.00 ATOM 1160 LEU S 517 36.344 51.483 25.801 1.00 0.00 ATOM 1161 LEU S 517 33.647 55.225 23.619 1.00 0.00 H

ATOM 1162 THR S 518 33.738 54.470 27.667 1.00 0.00 N

ATOM 1163 THR S 518 34.288 55.278 28.749 1.00 0.00 CA

ATOM 1164 THR S 518 35.678 54.736 29.036 1.00 0.00 C

ATOM 1165 THR S 518 35.893 53.543 28.802 1.00 0.00 O

ATOM 1166 THR S 518 33.327 55.136 29.926 1.00 0.00 CB

ATOM 1167 THR S 518 32.044 54.658 29.457 1.00 0.00 ATOM 1168 THR S 518 33.102 56.482 30.607 1.00 0.00 ATOM 1169 THR S 518 33.465 53.513 27.815 1.00 0.00 H

ATOM 1170HG1 THR S 518 32.146 53.713 29.268 1.00 0.00 ATOM 1171 ILE S 519 36.629 55.579 29.477 1.00 0.00 N

ATOM 1172 ILE S 519 37.876 54.878 29.799 1.00 0.00 CA

ATOM 1173 ILE S 519 37.926 54.432 31.242 1.00 0.00 C

ATOM 1174 ILE S 519 38.350 55.170 32.133 1.00 0.00 O

SUBSTITUTE SHEET (RULE 26) ATOM 1175 ILE S 519 39.14855.657 29.433 1.00 0.00 CB

ATOM 1176 ILE S 519 39.14356.077 27.967 1.00 0.00 ATOM 1177 ILE S 519 40.40454.813 29.708 1. 0.00 ATOM 1178CD1 ILE S 519 40.34656.975 27.687 1.00 0.00 ATOM 1179 ILE S 519 36.47156.570 29.541 1.00 0.00 H

ATOM 1180 ASN S 520 37.46353.190 31.410 1.00 0.00 N _ ATOM 1181 ASN S 520 37.77752.505 32.657 1. 0.00 CA ~ D0 ATOM 1182 ASN S 520 39.25852.338 32.792 1.00 0.00 C

ATOM 1183 ASN S 520 39.92851.986 31.819 1.00 0.00 O

ATOM 1184 ASN S 520 37.17051.118 32.690 1.00 0.00 CB

ATOM 1185CG ASN S 520 35.81151.199 33.303 1.00 0.00 ATOM 1186 ASN S 520 34.76551.198 32.661 1.00 0.00 ATOM 1187 ASN S 520 35.84451.266 34.624 1.00 0.00 ATOM 1188 ASN S 520 37.10952.720 30.603 1.00 0.00 H

ATOM 1189 ASN S 520 34.97051.383 35.093 1.00 0.00 ATOM 1190 ASN S 520 36.68051.229 35.171 1.00 0.00 ATOM 1191 ASN S 521 39.72352.578 34.025 1.00 0.00 N

ATOM 1192 ASN S 521 41.15452.386 34.264 1.00 0.00 CA

ATOM 1193 ASN S 521 41.57050.954 34.142 1.00 0.00 C

ATOM 1194 ASN S 521 42.68650.634 33.756 1.00 0.00 O

ATOM 1195 ASN S 521 41.62152.830 35.645 1.00 0.00 CB

ATOM 1196 ASN S 521 41.26554.263 35.925 1.00 0.00 CG

ATOM 1197 ASN S 521 40.84454.594 37.027 1.00 0.00 ATOM 1198 ASN S 521 41.42455.107 34.893 1.00 0.00 ATOM 1199H ASN S 521 39.06952.659 34.773 1.00 0.00 ATOM 1200 ASN S 521 41.15056.063 35.029 1.00 0.00 ATOM 1201 ASN S 521 41.74754.756 34.011 1.00 0.00 ATOM 1202 GLU S 522 40.60250.104 34.481 1.00 0.00 N

ATOM 1203 GLU S 522 40.76358.653 34.431 1.00 0.00 CA

ATOM 1204 GLU S 522 40.92848.141 33.014 1.00 0.00 C

ATOM 1205 GLU S 522 41.69447.218 32.720 1.00 0.00 O

ATOM 1206 GLU S 522 39.59247.980 35.150 1.00 0.00 CB

ATOM 1207 GLU S 522 39.43448.372 36.632 1.00 0.00 CG

ATOM 1208 GLU S 522 39.02749.826 36.806 1.00 0.00 CD

ATOM 12090E1 GLU S 522 28.14250.302 36.099 1.00 0.00 ATOM 12100E2 GLU S 522 39.62950.517 37.619 1.00 0.00 ATOM 1211 GLU S 522 39.73850.500 34.785 1.00 0.00 H

ATOM 1212 ARG S 523 40.23048.882 32.126 1.00 0.00 N

ATOM 1213 ARG S 523 40.57948.782 30.716 1.00 0.00 CA

ATOM 1214 ARG S 523 41.97849.290 30.457 1.00 0.00 C

ATOM 12150 ARG S 523 42.84248.510 30.084 1.00 0.00 ATOM 1216 ARG S 523 39.53249.457 29.830 1.00 0.00 CB

ATOM 1217 ARG S 523 38.18048.804 30.091 1.00 0.00 CG

ATOM 1218 ARG S 523 37.00849.394 29.317 1.00 0.00 CD

ATOM 1219 ARG S 523 35.76848.936 29.939 1.00 0.00 NE

ATOM 1220 ARG S 523 34.75249.798 30.149 1.00 0.00 CZ

ATOM 1221 ARG S 523 34.80851.047 29.702 1.00 0.00 ATOM 1222 ARG S 523 33.67249.374 30.799 1.00 0.00 ATOM 1223 ARG S 523 39.67249.608 32.512 1.00 0.00 H

ATOM 1224 ARG S 523 35.69047.988 30.260 1.00 0.00 HE

ATOM 1225 ARG S 523 34.03651.669 29.816 1.00 0.00 ATOM 12262HH1ARG S 523 35.60851.442 29.256 1.00 0.00 ATOM 1227 ARG S 523 32.96950.145 31.042 1.00 0.00 ATOM 12282HH2ARG S 523 33.53548.419 31.065 1.00 0.00 ATOM 1229 ALA S 524 42.22050.580 30.756 1.00 0.00 N

ATOM 1230 ALA S 524 43.58751.111 30.626 1.00 0.00 CA

ATOM 1231 ALA S 524 44.74450.245 31.144 1.00 0.00 C

ATOM 1232 ALA S 524 45.84750.288 30.610 1.00 0.00 O

ATOM 1233 ALA S 524 43.68952.505 31.249 1.00 0.00 CB

ATOM 1234 ALA S 524 41.47351.161 31.073 1.00 O.OD
H

ATOM 1235 GLN S 525 44.41649.407 32.144 1.00 0.00 N

ATOM 1236 GLN S 525 45.23748.275 32.570 1.00 0.00 CA

SUBSTITUTE SHEET (RULE 26) ATOM 1237C GLN S 525 45.326 47.166 31.521 1.00 0.00 ATOM 12380 GLN S 525 46.327 47.068 30.813 1.00 0.00 ATOM 1239CB GLN S 525 44.736 47.773 33.933 1.00 0.00 ATOM 1240 GIN S 525 44.899 48.831 35:033 1.00 0.00 CG

ATOM 1241 GLN S 525 43.978 48.563 36.213 1.00 0.00 CD

ATOM 12420E1 GIN S 525 43.282 47.555 36.314 1.00 0.00 _ ATOM 1243NE2 GLN S 525 46.001 49.533 37.133 1.00 0.00 ATOM 1244H GLN S 525 43.464 49.490 32.435 1.00 0.00 ATOM 12451HE2GIN S 525 43.393 49.444 37.924 1.00 0.00 ATOM 12462HE2GLN S 525 44.621 50.307 37.028 1.00 0.00 ATOM 1247N TYR S 526 44.271 46.342 31.411 1.00 0.00 ATOM 1248 TYR S 526 44.397 45.176 30.528 1.00 0.00 CA

ATOM 1249C TYR S 526 44.513 45.432 29.024 1.00 0.00 ATOM 12500 TYR S 526 45.223 44.753 28.286 1.00 0.00 ATOM 1251 TYR S 526 43.263 44.187 30.824 1.00 0.00 CB

ATOM 1252 TYR S 526 43.736 42.746 30.894 1.00 0.00 CG

ATOM 1253 TYR S 526 42.751 41.739 30.902 1.00 0.00 ATOM 1254CD2 TYR S 526 45.112 42.431 30.979 1.00 0.00 ATOM 1255CE1 TYR S 526 43.138 40.398 31.053 1.00 0.00 ATOM 1256 TYR S 526 45.503 41.091 31.124 1.00 0.00 ATOM 1257CZ TYR S 526 44.508 40.096 31.180 1.00 0.00 ATOM 1258 TYR S 526 44.892 38.780 31.363 1.00 0.00 OH

ATOM 1259H TYR S 526 43.457 46.506 31.971 1.00 0.00 ATOM 1260HH TYR S 526 44.780 38.404 30.487 1.00 0.00 ATOM 1261 ILE S 527 43.739 46.442 28.603 1.00 0.00 N

ATOM 1262CA ILE S 527 43.698 46.928 27.220 1.00 0.00 ATOM 1263C ILE S 527 43.973 48.433 27.181 1.00 0.00 ATOM 1264 ILE S 527 44.330 49.028 28.197 1.00 0.00 O

ATOM 1265 ILE S 527 42.360 46.549 26.566 1.00 0.00 CB

ATOM 1266 ILE S 527 41.195 46.911 27.490 1.00 0.00 ATOM 1267 ILE S 527 42.359 45.050 26.242 1.00 0.00 ATOM 1268 ILE S 527 39.829 46.475 26.968 1.00 0.00 ATOM 1269H ILE S 527 43.188 46.902 29.294 1.00 0.00 ATOM 1270N GLU S 528 43.854 49.037 25.998 1.00 0.00 ATOM 1271CA GLU S 528 44.150 50.461 25.901 1.00 0.00 ATOM 1272 GLU S 528 43.247 51.168 24.898 1.00 0.00 C

ATOM 1273 GLU S 528 42.828 50.587 23.896 1.00 0.00 O

ATOM 1274 GLU S 528 45.625 50.638 25.559 1.00 0.00 CB

ATOM 1275CG GLU S 528 46.353 51.685 26.418 1.00 0.00 ATOM 1276CD GLU S 528 45.696 53.031 26.214 1.00 0.00 ATOM 12770E1 GLU S 528 44.958 53.471 27.084 1.00 0.00 ATOM 12780E2 GLU S 528 45.880 53.627 25.159 1.00 0.00 ATOM 1279H GLU S 528 43.558 48.513 25.202 1.00 0.00 ATOM 1280N PHE S 529 42.943 52.442 25.200 1.00 0.00 ATOM 1281 PHE S 529 42.027 53.226 24.362 1.00 0.00 CA

ATOM 1282 PHE S 529 42.594 54.578 23.924 1.00 0.00 C

ATOM 12830 PHE S 529 43.746 54.632 23.481 1.00 0.00 ATOM 1284CB PHE S 529 40.641 53.291 25.025 1.00 0.00 ATOM 1285 PHE S 529 40.018 51.918 24.964 1.00 0.00 CG

ATOM 1286CD1 PHE S 529 40.028 51.101 26.114 1.00 0.00 ATOM 1287CD2 PHE S 529 39.467 51.463 23.746 1.00 0.00 ATOM 1288CE1 PHE S 529 39.521 49.792 26.028 1.00 0.00 ATOM 1289CE2 PHE S 529 38.962 50.153 23.661 1.00 0.00 ATOM 1290 PHE S 529 39.013 49.323 24.798 1.00 0.00 CZ

ATOM 1291 PHE S 529 43.379 52.870 25.995 1.00 0.00 H

ATOM 1292 SER S 530 41.814 55.664 24.049 1.00 0.00 N

ATOM 1293CA SER S 530 42.301 56.984 23.518 1.00 0.00 ATOM 1294C SER S 530 41.809 58.113 .24.321 1.00 0.00 ATOM 12950 SER S 530 40.727 58.104 24.905 1.00 0.00 ATOM 1296CB SER S 530 41.853 57.145 22.075 1.00 0.00 ATOM 1297 SER S 530 42.555 56.289 21.156 1.00 0.00 OG

ATOM 1298H SER S 530 40.883 55.600 24.391 1.00 0.00 17g SUBSTITUTE SHEET (RULE 26) ATOM 1299 SER S 530 42.517 56.792 20.347 1.00 0.00 HG

ATOM 1300 LYS S 531 42.663 59.151 24.339 1.00 0.00 N

ATOM 1301 LYS S 531 42.189 60.3.8924.943 1.00 0.00 CA

ATOM 1302C LYS S 531 41.774 61.528 24:019 1.00 0.00 ATOM 1303 LYS S 531 40.713 62.085 24.263 1.00 0.00 O

ATOM 1304 LYS S 531 43.070 60.858 26.111 1.00 0.00 CB _ ATOM 1305 'LYS S 531 42.361 61.058 27.470 1.00 0.00 CG

ATOM 1306 LYS S 531 41.487 62.311 27.687 1.00 0.00 CD

ATOM 1307 LYS S 531 40.019 62.235 27.238 1.00 0.00 CE

ATOM 1308 LYS S 531 39.316 63.464 27.624 1.00 0.00 NZ

ATOM 1309H LYS S 531 43.507 59.140 23.800 1.00 0.00 ATOM 1310 LYS S 531 38.343 63.428 27.271 1.00 0.00 ATOM 13112HZ LYS S 531 39.247 63.600 28.657 1.00 0.00 ATOM 1312 LYS S 531 39.795 64.281 27.210 1.00 0.00 ATOM 1313 PRO S 532 42.554 61.918 22.981 1.00 0.00 N

ATOM 1314 PRO S 532 41.987 62.910 22.048 1.00 0.00 CA

ATOM 1315 PRO S 532 41.125 62.297 20.940 1.00 0.00 C

ATOM 1316 PRO S 532 41.182 62.659 19.759 1.00 0.00 ATOM 1317CB PRO S 532 43.251 63.610 21.546 1.00 0.00 ATOM 1318CG PRO S 532 44.323 62.521 21.526 1.00 0.00 ATOM 1319 PRO S 532 43.942 61.586 22.672 1.00 0.00 CD

ATOM 1320N PHE S 533 40.317 61.296 21.346 1.00 0.00 ATOM 1321 PHE S 533 39.401 60.803 20.322 1.00 0.00 CA

ATOM 1322 PHE S 533 38.207 61.716 20.115 1.00 0.00 C

ATOM 13230 PHE S 533 38.250 62.661 19.330 1.00 0.00 ATOM 1324 PHE S 533 39.005 59.331 20.560 1.00 0.00 CB

ATOM 1325 PHE S 533 38.109 58.800 19.542 1.00 0.00 CG

ATOM 1326 PHE S 533 36.900 58.161 19.803 1.00 0.00 ATOM 1327 PHE S 533 38.479 58.950 18.094 1.00 0.00 ATOM 1328 PHE S 533 36.050 57.669 18.795 1.00 0.00 ATOM 1329 PHE S 533 37.630 58.459 17.083 1.00 0.00 ATOM 1330CZ PHE S 533 36.423 57.825 17.444 1.00 0.00 ATOM 1331H PHE S 533 40.157 61.205 22.327 1.00 0.00 ATOM 1332 LYS S 534 37.111 61.380 20.816 1.00 0.00 N

ATOM 1333 LYS S 534 35.919 32.191 20.634 1.00 0.00 CA

ATOM 1334C LYS S 534 35.958 63.348 21.607 1.00 0.00 ATOM 13350 LYS S 534 35.812 63.121 22.809 1.00 0.00 ATOM 1336 LYS S 534 34.698 61.275 20.818 1.00 0.00 CB

ATOM 1337 LYS S 534 33.347 61.986 20.775 1.00 0.00 CG

ATOM 1338CD LYS S 534 33.201 62.809 19.503 1.00 0.00 ATOM 1339CE LYS S 534 32.094 63.839 19.641 1.00 0.00 ATOM 1340NZ LYS S 534 32.370 64.947 18.736 1.00 0.00 ATOM 1341H LYS S 534 37.099 60.595 21.442 1.00 0.00 ATOM 1342 LYS S 534 33.380 65.198 18.751 1.00 0.00 ATOM 13432HZ LYS S 534 32.167 64.628 17.777 1.00 0.00 ATOM 13443HZ LYS S 534 31.800 65.789 18.908 1.00 0.00 ATOM 1345N TYR S 535 36.213 64.537 21.039 1.00 0.00 ATOM 1346 TYR S 535 36.138 65.804 21.773 1.00 0.00 CA

ATOM 1347 TYR S 535 36.295 65.779 23.303 1.00 0.00 C

ATOM 13480 TYR S 535 37.391 65.841 23.869 1.00 0.00 ATOM 1349CB TYR S 535 34.809 66.548 21.271 1.00 0.00 ATOM 1350CG TYR S 535 35.095 68.045 21.266 1.00 0.00 ATOM 1351 TYR S 535 36.159 68.605 20.526 1.00 0.00 ATOM 1352 TYR S 535 34.200 68.842 22.003 1.00 0.00 ATOM 1353 TYR S 535 36.352 69.996 20.555 1.00 0.00 ATOM 1354 TYR S 535 34.393 70.231 20.025 1.00 0.00 ATOM 1355 TYR S 535 35.479 70.792 21.323 1.00 0.00 CZ

ATOM 1356 TYR S 535 35.712 72.156 21.409 1.00 0.00 OH

ATOM 1357 TYR S 535 36.422 64.539 20.060 1.00 0.00 H

ATOM 1358HH TYR S 535 35.003 72.544 21.932 1.00 0.00 ATOM 1359N GLN S 536 35.154 65.689 24.015 1.00 0.00 ATOM 1360 GLN S 536 35.198 65.687 25.488 1.00 0.00 CA

SUBSTITUTE SHEET (RULE 26) ATOM 1361 GLN S 536 34.272 64.623 26.067 1.00 0.00 C

ATOM 1362 GLN S 536 33.306 64.240 25.405 1.00 0.00 O

ATOM 1363 GLN S 536 34.736 67.045 26.032 l.OD 0.00 CB

ATOM 1364 GLN S 536 35.484 68.275 25-.306 2.00 0.00 CG

ATOM 1365 GLN S 536 34.792 69.532 25.996 1.00 0.00 CD

ATOM 1366 GLN S 536 34.000 69.529 26.937 1.00 0.00 ATOM _ GLN S 536 35.120 70.641 25.332 1.00 0.00 ATOM 1368 GLN S 536 34.282 65.547 23.543 1.00 0.00 H

ATOM 1369 GLN S 536 34.658 71.515 25.490 1.00 0.00 ATOM 1370 GLN S 536 35.798 70.598 24.601 1.00 0.00 ATOM 1371N GLY S 537 34.523 64.191 27.323 1.00 0.00 ATOM 1372 GLY S 537 33.513 63.349 27.992 1.00 0.00 CA

ATOM 1373 GLY S 537 33.575 63.366 29.519 1.00 0.00 C

ATOM 1374 GLY S 537 34.373 62.671 30.158 1.00 0.00 O

ATOM 1375 GLY S 537 35.371 64.450 27.781 1.00 0.00 H

ATOM 1376 LEU S 538 32.734 64.246 30.087 1.00 0.00 N

ATOM 1377 LEU S 538 32.935 64.570 31.497 1.00 0.00 CA

ATOM 1378 LEU S 538 31.743 64.293 32.397 1.00 0.00 C

ATOM 1379 LEU S 538 30.647 63.918 31.969 i.00 0.00 O

ATOM 1380 LEU S 538 33.417 66.021 31.640 1.00 0.00 CB

ATOM 1381 LEU S 538 34.934 66.213 31.621 1.00 0.00 CG

ATOM 1382 LEU S 538 35.600 65.240 32.585 1.00 0.00 ATOM 1383 LEU S 538 35.554 66.173 30.224 1.00 0.00 ATOM 1384 LEU S 538 32.075 64.788 29.570 1.00 0.00 H

ATOM 1385N THR S 539 32.030 64.465 33.701 1.00 0.00 ATOM 1386 THR S 539 31.038 64.027 34.676 i.00 0.00 CA

ATOM 1387 THR S 539 29.992 65.072 35.029 1.00 0.00 C

ATOM 1388 THR S 539 30.280 66.230 35.334 1.00 0.00 O

ATOM 1389 THR S 539 31.740 63.452 35.913 1.00 0.00 CB

ATOM 1390061 THR S 539 32.950 63.775 35.522 1.00 0.00 ATOM 1391 THR S 539 30.848 62.447 36.642 1.00 0.00 ATOM 1392 THR S 539 32.798 65.061 33.932 1.00 0.00 H

ATOM 1393 THR S 539 33.585 63.450 35.257 1.00 0.00 ATOM 1394 ILE S 540 28.742 64.585 34.939 1.00 0.00 N

ATOM 1395 ILE S 540 27.622 65.497 34.754 1.00 0.00 CA

ATOM 1396 ILE S 540 26.944 66.158 35.961 1.00 0.00 C

ATOM 1397 ILE S 540 26.404 65.548 36.899 1.00 0.00 O

ATOM 1398 ILE S 540 26.665 64.802 33.767 i.00 0.00 CB

ATOM 1399 ILE S 540 26.036 65.745 32.758 1.00 0.00 ATOM 1400 ILE S 540 25.607 63.955 34.463 1.00 0.00 ATOM 1401 ILE S 540 26.971 65.932 31.568 1.00 0.00 ATOM 1402 ILE S 540 28.599 63.617 34.765 1.00 0.00 H

ATOM 1403 LEU S 541 26.982 67.482 35.864 1.00 0.00 N

ATOM 1404 LEU S 541 26.266 68.353 36.782 1.00 0.00 CA

ATOM 1405 LEU S 541 24.836 68.705 36.423 1.00 0.00 C

ATOM 1406 LEU S 541 24.290 69.690 36.912 1.00 0.00 O

ATOM 1407 LEU S 541 27.035 69.647 36.999 1.00 0.00 CB

ATOM 1408 LEU S 541 27.872 69.601 38.267 1.00 0.00 CG

ATOM 1409 LEU S 541 29.126 68.738 38.121 1.00 0.00 ATOM 1410 LEU S 541 28.146 71.011 38.768 1.00 0.00 ATOM 1411 LEU S 541 27.559 67.836 35.140 1.00 0.00 H

ATOM 1412 VAL S 542 24.204 67.886 35.577 1.00 0.00 N

ATOM 1413 VAL S 542 22.775 68.138 35.328 1.00 0.00 CA

ATOM 1414 VAL S 542 21.892 68.030 36.567 1.00 0.00 C

ATOM 14150 VAL S 542 22.281 67.388 37.549 1.00 0.00 ATOM 1416 VAL S 542 22.244 67.183 34.269 1.00 0.00 CB

ATOM 1417 VAL S 542 22.818 67.490 32.886 1.00 0.00 ATOM 1418 VAL S 542 22.439 65.735 34.728 1.00 0.00 ATOM 1419 VAL S 542 24.787 67.195 35.153 1.00 0.00 H

ATOM 1420 LYS S 543 20.673 68.617 36.430 1.00 0.00 N

ATOM 1421 LYS S 543 19.558 68.746 3.391 1.00 0.00 CA

ATOM 1422 LYS S 543 19.435 70.138 37.995 1.00 0.00 C

I8~
SUBSTITUTE SHEET (RULE 26) ATOM1423 LYS S 543 20.126 70.433 38.960 1.00 0.00 O

ATOM1424 LYS S 543 19.575 67.732 38.553 1.00 0.00 CB

ATOM1425 LYS S 543 18.383 67.813 39.515 l.Oa 0.00 CG

ATOM1426 LYS S 543 18.788 67.755 40-.9941.00 0.00 CD

ATOM1427 LYS S 543 19.480 69.303 41.480 1.00 0.00 CE

ATOM1428 LYS S 543 20.222 68.779 42.712 1.00 0.00 NZ - ~

ATOM1429 LYS S 543 20.531 69.102 35.556 1.00 0.00 H

ATOM1430 LYS S 543 19.746 68.943 43.618 1.00 0.00 ATOM14312HZ LYS S 543 2D.541 67.800 42.677 1.00 0.00 ATOM14323HZ LYS S 543 21.101 69.332 42.764 1.00 0.00 ATOM1433 LYS S 544 18.500 70.954 37.456 1.00 0.00 N

ATOM1434 LYS S 544 18.289 72.317 37.987 1.00 0.00 CA

ATOM1435 LYS S 544 19.534 73.179 37.827 1.00 0.00 C

ATOM1436 LYS S 544 20.575 72.927 38.427 1.00 0.00 O

ATOM1437 LYS S 544 17.758 72.344 39.435 1.00 0.00 CB

ATOM1438 LYS S 544 16.771 71.226 39.806 1.00 0.00 CG

ATOM1439 LYS S 544 15.485 71.170 38.982 1.00 0.00 CD

ATOM1440 LYS S 544 14.650 69.919 39.280 1.00 0.00 CE

ATOM1441 LYS S 544 15.233 68.714 38.685 1.00 0.00 NZ

ATOM1442 LYS S 544 18.346 70.792 36.479 1.00 0.00 H

ATOM1443 LYS S 544 14.510 68.232 38.127 1.00 0.00 ATOM1444 LYS S 544 16.029 68.936 38.064 1.00 0.00 ATOM14453HZ LYS S 544 15.549 68.078 39.440 1.00 0.00 ATOM1446 GLU S 545 19.410 74.104 36.879 1.00 0.00 N

ATOM1447 GLU S 545 20.636 74.523 36.214 1.00 0.00 CA

ATOM1448 GLU S 545 20.732 76.054 36.116 1.00 0.00 C

ATOM14490 GLU S 545 19.868 76.776 36.623 1.00 0.00 ATOM1450CB GLU S 545 20.750 73.690 34.909 1.00 0.00 ATOM1451 GLU S 545 21.054 72.183 35.134 1.00 0.00 CG

ATOM1452 GLU S 545 20.209 71.203 34.302 1.00 0.00 CD

ATOM1453 GLU S 545 19.213 70.663 34.778 1.00 0.00 ATOM1454 GLU 'S 545 20.557 70.909 33.172 1.00 0.00 ATOM1455 GLU S 545 18.513 74.251 36.477 1.00 0.00 H

ATOM1456 ILE S 546 21.858 76.538 35.532 1. OD 0.00 N

ATOM1457 ILE S 546 22.274 77.935 35.757 1.00 0.00 CA

ATOM1458 ILE S 546 21.234 78.998 35.420 1.00 0.00 C

ATOM1459 ILE S 546 20.724 79.133 34.310 1.00 0.00 O

ATOM1460 ILE S 546 23.632 78.256 35.082 1.00 0.00 CB

ATOM1461 ILE S 546 24.759 77.346 35.573 1.00 0.00 ATOM1462 ILE S 546 24.065 79.718 35.275 1.00 0.00 ATOM1463 ILE S 546 26.069 77.508 34.796 1.00 0.00 ATOM1464 ILE S 546 22.453 75.915 35.013 1.00 0.00 H

ATOM1465 PRO S 547 20.906 79.788 36.469 1.00 0.00 N

ATOM1n66 PRO S 547 20.093 80.981 36.235 1.00 0.00 CA

ATOM1467 PRO S 547 20.897 82.045 35.497 1.00 0.00 C

ATOM1468 PRO S 547 21.711 - 82.77436.068 1.00 0.00 O

ATOM1469 PRO S 547 19.690 81.372 27.661 1.00 0.00 CB

ATOM1470 PRO S 547 20.840 80.904 38.553 1.00 0.00 CG

ATOM1471 PRO S 547 21.308 79.630 37.863 1.00 0.00 CD

ATOM1472 ARG S 548 20.612 82.072 34.199 1.00 0.00 N

ATOM1473 ARG S 548 21.224 83.027 33.295 1.00 0.00 CA

ATOM1474 ARG S 548 20.135 83.812 32.555 1.00 0.00 C

ATOM1475 ARG S 548 19.020 83.927 33.065 1.00 0.00 O

ATOM1476 ARG S 548 22.264 82.286 32.404 1.00 0.00 CB

ATOM1477 ARG S 548 21.946 81.675 31.012 1.00 0.00 CG

ATOM1478 ARG S 548 20.809 80.650 30.871 1.00 0.00 CD

ATOM1479 ARG S 548 19.546 81.274 31.228 1.00 0.00 NE

ATOM1480 ARG S 548 I8.673 80.636 32.017 1.00 0.00 CZ

ATOM1481 ARG S 548 17.913 81.352 32.824 1.00 0.00 ATOM1482 ARG S 548 18.858 79.321 32.022 1.00 0.00 ATOM1483 ARG S 548 20.357 84.258 31.430 1.00 0.00 OXT

ATOM1484 ARG S 548 19.972 81.699 33.843 1.00 0.00 H

Igl SUBSTITUTE SHEET (RULE 26) ATOM 1485 ARG S 548 19.512 82.274 31.155 1.00 0.00 HE

ATOM 1486 ARG S 548 17.211 80.913 33.383 1.00 0.00 ATOM 14872HH1ARG S 548 18.085 82.343 32.896 1.00 0.00 ATOM 14881HH2ARG S 548 17.943 78.877 32.638 1.00 0.00 ATOM 14892HH2ARG S 548 19.157 78.764 31.415 1.00 0.00 ATOM 1490N PRO S 660 4.523 80.852 31.091 1.00 0.00 -ATOM _ PRO S 660 5.012 81.934 30.221 1.00 0.00 CA

ATOM 1492 PRO S 660 5.983 82.768 31.022 1.00 0.00 C

ATOM 1493 PRO S 660 5.582 83.600 31.825 1.00 0.00 O

ATOM 1494CB PRO S 660 3.784 82.712 29.738 1.00 0.00 ATOM 1495CG PRO S 660 2.638 82.135 30.563 1.00 0.00 ATOM I496CD PRO S 660 3.090 80.705 30.840 1.00 0.00 ATOM 14971H PRO S 660 4.695 81.128 32.081 1.00 0.00 ATOM 14982H PRO S 660 5.080 79.971 30.998 1.00 0.00 ATOM 1499 GLU S 661 7.260 82.412 30.806 1.00 0.00 N

ATOM 1500CA GLU S 661 8.328 82.728 31.747 1.00 0.00 ATOM 1501 GLU S 661 9.637 82.842 31.000 1.00 0.00 C

ATOM 15020 GLU S 661 10.032 81.902 30.801 1.00 0.00 ATOM 1503 GLU S 661 8.603 81.578 32.735 1.00 0.00 CB

ATOM 1504 GLU S 661 7.484 80.687 33.297 1.00 0.00 CG

ATOM 1505 GLU S 661 6.800 79.788 32.266 1.00 0.00 CD

ATOM 15060E1 GLU S 661 7.183 79.697 31.102 1.00 0.00 ATOM 15070E2 GLU S 661 5.786 79.207 32.603 1.00 0.00 ATOM 1508H GLU S 661 7.509 81.749 30.100 1.00 0.00 ATOM 1509N GLU S 662 10.331 83.960 31.249 1.00 0.00 ATOM 1510CA GLU S 662 11.784 83.945 31.068 1.00 0.00 ATOM 1511C GLU S 662 12.393 82.710 31.703 1.00 0.00 ATOM 1512 GLU S 662 11.875 82.126 32.649 1.00 0.00 ATOM 1513 GLU S 662 12.420 85.188 31.701 1.00 0.00 CB

ATOM 1514 GLU S 662 12.325 86.477 30.877 1.00 0.00 CG

ATOM 1515 GLU S 662 10.886 86.801 30.527 1.00 0.00 CD

ATOM 15160E1 GLU S 662 10.086 87.049 31.428 1.00 0.00 ATOM 15170E2 GLU S 662 10.562 86.789 29.345 1.00 0.00 ATOM 1518H GLU S 662 9.908 84.826 31.534 1.00 0.00 ATOM 1519N ARG S 663 13.525 82.272 31.145 1.00 0.00 ATOM 1520CA ARG S 663 13.990 80.955 31.599 1.00 0.00 ATOM 1521 ARG S 663 14.688 80.893 32.960 1.00 0.00 C

ATOM 1522 ARG S 663 15.560 80.055 33.187 1.00 0.00 O

ATOM 1523 ARG S 663 14.868 80.307 30.532 1.00 0.00 CB

ATOM 1524 ARG S 663 14.264 80.480 29.114 1.00 0.00 CG

ATOM 1525 ARG S 663 13.133 79.155 28.940 1.00 0.00 CD

ATOM 1526 ARG S 663 11.869 79.605 29.525 1.00 0.00 NE

ATOM 1527 ARG S 663 10.881 78.730 29.804 1.00 0.00 CZ

ATOM 1528 ARG S 663 9.787 79.206 30.385 1.00 0.00 ATOM 1529NH2 ARG S 663 11.011 77.437 29.518 1.00 0.00 ATOM 1530H ARG S 663 13.950 '82.83230.431 1.00 0.00 ATOM 1531 ARG S 663 11.700 80.582 29.683 1.00 0.00 HE

ATOM 15321HH1ARG S 663 8.978 78.677 30.649 1.00 0.00 ATOM 15332HH1ARG S 663 9.749 80.188 30.588 1.00 0.00 ATOM 1534 ARG S 663 10.327 76.750 29.748 1.00 0.00 ATOM 15352HH2ARG S 663 11.822 77.061 29.050 1.00 0.00 ATOM 1536N ILE S 664 14.340 81.831 33.855 1.00 0.00 ATOM 1537 ILE S 664 15.047 81.887 35.137 1.00 0.00 CA

ATOM 1538C ILE S 664 14.248 81.163 36.211 1.00 0.00 ATOM 15390 ILE S 664 13.803 81.696 37.221 1.00 0.00 ATOM 1540 ILE S 664 15.351 83.342 35.528 1.00 0.00 CB

ATOM 1541CG1 ILE S 664 15.803 84.151 34.306 1.00 0.00 ATOM 1542 ILE S 664 16.428 83.374 36.620 1.00 0.00 ATOM 1543 ILE S 664 16.001 85.639 34.601 1.00 0.00 CDl ATOM 1544 ILE S 664 13.495 82.346 33.722 1.00 0.00 H

ATOM 1545N THR S 665 14.026 79.894 35.883 1.00 0.00 ATOM 1546 THR S 665 13.041 79.085 36.593 1.00 0.00 CA

SUBSTITUTE SHEET (RULE 26) ATOM 1547 C THR S 665 13.578 78.301 37.785 1.00 0.00 ATOM 15480 THR S 665 13.106 77.210 38.142 1.00 0.00 ATOM 1549 CB THR S 665 12.408 78.184 35.534 1.00 0.00 ATOM 1550061 THR S 665 13.403 77.832 34.554 1.00 0.00 ATOM 1551 CG2 THR S 665 11.246 78.-895-34.836 1.00 0.00 ATOM 1552 H THR S 665 14.459 79.500 35.074 1.00 0.00 .

ATOM 1553 HG1 THR S 665 13.913 77.137 34.972 1.00 0.00 ' ATOM 1554 N GLY S 666 14.634 78.869 38.383 1.00 0.00 ATOM 1555 CA GLY S 666 15.262 78.155 39.488 1.00 0.00 ATOM 1556C GLY S 666 16.760 78.368 39.558 1.00 0.00 ATOM 1557 O GLY S 666 17.291 79.440 39.259 1.00 0.00 ATOM 1558 H GLY S 666 14.977 79.764 38.101 1.00 0.00 ATOM 1559N ILE S 667 17.430 77.279 39.977 1.00 0.00 ATOM 1560CA ILE S 667 18.847 77.460 40.306 1.00 0.00 ATOM 1561 C ILE S 667 19.705 76.167 40.197 1.00 0.00 ATOM 15620 ILE S 667 19.390 75.077 40.682 1.00 0.00 ATOM 1563 CB ILE S 667 18.984 78.113 41.689 1.00 0.00 ATOM 1564 CG1 ILE S 667 20.415 78.559 42.015 1.00 0.00 ATOM 1565 CG2 ILE S 667 18.405 77.229 42.804 1.00 0.00 ATOM 1566 CD1 ILE S 667 20.514 79.388 43.290 1.00 0.00 ATOM 1567 H ILE S 667 16.966 76.450 40.283 1.00 0.00 ATOM 1568 N ASN S 668 20.863 76.453 39.583 1.00 0.00 ATOM 1569 CA ASN S 668 22.022 75.571 39.450 1.00 0.00 ATOM 1570 C ASN S 668 22.461 74.760 40.653 1.00 0.00 ATOM 15710 ASN S 668 22.668 75.237 41.770 1.00 0.00 ATOM 1572 CB ASN S 668 23.219 76.390 38.954 1.00 0.00 ATOM 1573 CG ASN S 668 24.382 75.495 38.564 1.00 0.00 ATOM 1574 OD1 ASN S 668 25.451 75.495 39.184 1.00 0.00 ATOM 1575 ND2 ASN S 668 24.140 74.731 37.494 1.00 0.00 ATOM 1576 H ASN S 668 20.864 77.354 39.160 1.00 0.00 ATOM 15771HD2 ASN S 668 24.851 74.193 37.051 1.00 0.00 ATOM 1578 2HD2ASN S 668 23.217 74.741 37.115 1.00 0.00 ATOM 1579 N ASP S 669 22.711 73.494 40.315 1.00 0.00 ATOM 1580 CA ASP S 669 23.577 72.615 41.099 1.00 0.00 ATOM 1581 C ASP S 669 25.058 72.919 40.856 1.00 0.00 ATOM 1582 O ASP S 669 25.492 72.974 39.700 1.00 0.00 ATOM 1583 CB ASP S 669 23.241 71.194 40.678 1.00 0.00 ATOM 1584 CG ASP S 669 23.444 70.226 41.814 1.00 0.00 ATOM 1585 ODl ASP S 669 22.640 69.322 41.944 1.00 0.00 ATOM 1586 OD2 ASP S 669 24.401 70.338 42.561 1.00 0.00 ATOM 1587 H ASP S 669 22.264 73.158 39.483 1.00 0.00 ATOM 1588 N PRO S 670 25.808 73.237 41.952 1.00 0.00 ATOM 1589CA PRO S 670 27.180 73.786 41.859 1.00 0.00 ATOM 1590 C PRO S 670 28.368 72.949 42.403 1.00 0.00 ATOM 15910 PRO S 670 28.466 72.594 43.583 1.00 0.00 ATOM 1592 CB PRO S 670 26.972 75.062 42.673 1.00 0.00 ATOM 1593 CG PRO S 670 26.054 74.641 43.833 1.00 0.00 ATOM 1594 CD PRO S 670 25.267 73.444 43.291 1.00 0.00 ATOM 1595 N ARG S 671 29.364 72.702 41.522 1.00 0.00 ATOM 1596CA ARG S 671 30.550 71.865 41.842 1.00 0.00 ATOM 1597 C ARG S 671 31.567 72.224 42.958 1.00 0.00 ATOM 15980 ARG S 671 32.429 71.421 43.338 1.00 0.00 ATOM 1599 CB ARG S 671 31.290 71.577 40.523 1.00 0.00 ATOM 1600CG ARG S 671 31.760 70.130 40.297 1.00 0.00 ATOM 1601 CD ARG S 671 33.097 69.783 40.951 1.00 0.00 ATOM 1602 NE ARG S 671 33.426 68.362 40.856 1.00 0.00 ATOM 1603CZ ARG S 671 33.270 67.556 41.926 1.00 0.00 ATOM 1604 NH1 ARG S 671 33.688 66.298 41.880 1.00 0.00 ATOM 1605NH2 ARG S 671 32.724 68.030 43.045 1.00 0.00 ATOM 1606 H ARG S 671 29.083 72.852 40.574 1.00 0.00 ATOM 1607 HE ARG S 671 33.913 68.068 40.029 1.00 0.00 ATOM 1608 1HH1ARG S 671 33.562 65.701 42.677 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 16092HH1ARG S 671 34.123 65.922 41.067 1.00 0.00 ATOM 1610 ARG S 671 32.780 67.475 43.881 1.00 0.00 ATOM 1611 ARG S 671 32.275 68.931 43.074 1.00 0.00 ATOM 1612 LEU S 672 31.498 73.465 43-.452 1.00 0.00 N

ATOM 1613 LEU S 672 32.586 73.-945-44.316 1.00 0.00 CA

ATOM 1614 LEU S 672 32.800 73.117 45.584 1.00 0.00 C _ ATOM 1615 LEU S 672 31.857 72.669 46.226 1.00 0.00 O -ATOM 1616 LEU S 672 32.345 75.422 44.650 1.00 0.00 CB

ATOM 1617 LEU S 672 33.497 76.129 45.374 1.00 0.00 CG

ATOM 1618 LEU S 672 34.750 76.232 44.503 1.00 0.00 ATOM 1619 LEU S 672 33.066 77.485 45.933 1.00 0.00 ATOM 1620 LEU S 672 30.729 74.021 43.156 1.00 0.00 H

ATOM 1621 LYS S 673 34.073 72.931 45.971 1.00 0.00 N

ATOM 1622 LYS S 673 34.294 72.047 47.122 1.00 0.00 CA

ATOM 1623 LYS S 673 33.605 72.423 48.435 1.00 0.00 C

ATOM 1624 LYS S 673 33.530 71.623 49.353 1.00 0.00 O

ATOM 1625 LYS S 673 35.791 71.759 47.354 1.00 0.00 CB

ATOM 1626 LYS S 673 36.085 70.401 48.032 1.00 0.00 CG

ATOM 1627 LYS S 673 37.572 70.169 48.347 1.00 0.00 CD

ATOM 1628 LYS S 673 37.943 68.757 48.845 1.00 0.00 CE

ATOM 1629 LYS S 673 37.417 68.473 50.186 1.00 0.00 NZ

ATOM 1630 LYS S 673 34.802 73.218 45.354 1.00 0.00 H

ATOM 1631 LYS S 673 36.393 68.638 50.244 1.00 0.00 ATOM 1632 LYS S 673 37.556 67.469 50.421 1.00 0.00 ATOM 1633 LYS S 673 37.855 69.040 50.933 1.00 0.00 ATOM 1634 ASN S 674 33.109 73.670 48.539 1.00 0.00 N

ATOM 1635 ASN S 674 32.342 73.971 49.762 1.00 0.00 CA

ATOM 1636 ASN S 674 30.937 73.350 49.820 1.00 0.00 C

ATOM 16370 ASN S 674 30.663 72.579 50.740 1.00 0.00 ATOM 1638 ASN S 674 32.394 75.459 50.186 1.00 0.00 CB

ATOM 1639 ASN S 674 33.828 75.947 50.305 1.00 0.00 CG

ATOM 1640 ASN S 674 34.640 75.762 49.406 1.00 0.00 ODl ATOM 1641 ASN S 674 34.123 76.573 51.448 1.00 0.00 ATOM 1642 ASN S 674 33.223 74.333 47.794 1.00 0.00 H

ATOM 1643 ASN S 674 35.070 76.884 51.538 1.00 0.00 ATOM 1644 ASN S 674 33.487 76.795 52.186 1.00 0.00 ATOM 1645 PRO S 675 30.064 73.624 48.791 1.00 0.00 N

ATOM 1646 PRO S 675 28.902 72.744 48.580 1.00 0.00 CA

ATOM 1647 PRO S 675 29.227 71.253 48.548 1.00 0.00 C

ATOM 1648 PRO S 675 28.861 70.541 49.476 1.00 0.00 O

ATOM 1649CB PRO S 675 28.215 73.298 47.322 1.00 0.00 ATOM 1650 PRO S 675 29.195 74.265 46.671 1.00 0.00 CG

ATOM 1651 PRO 5 675 30.077 74.724 47.825 1.00 0.00 CD

ATOM 1652 SER S 676 30.004 70.834 47.529 1.00 0.00 N

ATOM 1653 SER S 676 30.509 69.453 47.419 1.00 0.00 CA

ATOM 1654 SER S 676 30.790 68.652 48.690 1.00 0.00 C

ATOM 1655 SER S 676 30.402 67.487 48.845 1.00 0.00 O

ATOM 1656 SER S 676 31.755 69.427 46.533 1.00 0.00 CB

ATOM 1657 SER S 676 31.494 70.139 45.315 1.00 0.00 OG

ATOM 1658 SER S 676 30.177 71.436 46.731 1.00 0.00 H

ATOM 1659HG SER S 676 32.237 70.723 45.137 1.00 0.00 ATOM 1660 ASP S 677 31.526 69.334 49.579 1.00 0.00 N

ATOM 1661 ASP S 677 31.921 68.749 50.858 1.00 0.00 CA

ATOM 1662 ASP S 677 30.840 68.725 51.907 1.00 0.00 C

ATOM 1663 ASP S 677 30.746 67.852 52.769 1.00 0.00 O

ATOM 1664 ASP S 677 33.068 69.544 51.464 1.00 0.00 CB

ATOM 1665 ASP S 677 34.116 68.643 52.058 1.00 0.00 CG

ATOM 1666 ASP S 677 35.212 68.650 51.521 1.00 0.00 ATOM 1667 ASP S 677 33.860 67.947 53.041 1.00 0.00 ATOM 1668 ASP S 677 31.752 70.284 49.360 1.00 0.00 H

ATOM 1669 LYS S 678 30.108 69.838 51.877 1.00 0.00 N

ATOM 1670 LYS S 678 29.251 70.124 53.012 1.00 0.00 CA

SUBSTITUTE SHEET (RULE 26) ATOM 1671 LYS S 678 27.844 70.388 52.543 1.00 0.00 C

ATOM 1672 LYS S 678 26.934 69.613 52.807 1.00 0.00 O

ATOM 1673 LYS S 678 29.809 71.301 53.829 1.00 0.00 CB

ATOM 1674 LYS S 678 31.244 71.151 54-.369 1.00 0.00 CG

ATOM 1675 LYS S 678 31.418 70.389 55.694 1.00 0.00 CD

ATOM 1676 LYS S 678 31.087 68.892 55.702 1. 0.00 CE - OD

ATOM 1677 _ S 678 32.064 68.105 54.943 1.00 0.00 NZ LYS

ATOM 1678H LYS S 678 30.115 70.431 51.068 1.00 0.00 ATOM 1679 LYS S 6'78 32.735 68.640 54.354 1.00 0.00 ATOM 1680 LYS S 678 32.590 67.451 55.552 1.00 0.00 ATOM 16813HZ LYS S 678 31.522 67.507 54.282 1. 0.00 OD

ATOM 1682 PHE S 6781 27.701 71.504 51.820 1.00 0.00 N

ATOM 1683 PHE S 6781 26.356 71.905 51.411 1.00 0.00 CA

ATOM 1684 PHE S 6781 25.957 71.328 50.062 1.00 0.00 C

ATOM 1685 PHE S 6781 25.799 72.024 49.069 1.00 0.00 O

ATOM 1686CB PHE S 6781 26.237 73.436 51.459 1.00 0.00 ATOM 1687 PHE S 6781 24.792 73.876 51.352 1.00 0.00 CG

ATOM 1688 PHE S 6781 23.882 73.553 52.382 1.00 0.00 ATOM 1689CD2 PHE S 6781 24.379 74.606 50.216 1.00 0.00 .

ATOM 1690 PHE S 6781 22.537 73.957 52.272 1. 0.00 ATOM 1691 PHE S 6781 23.035 75.011 50.103 1.00 0.00 ATOM 1692 PHE S 6781 22.127 74.680 51.131 1.00 0.00 CZ

ATOM 1693 PHE S 6781 28.506 71.915 51.392 1.00 0.00 H

ATOM 1694 ILE S 680 25.857 70.000 50.108 1.00 0.00 N

ATOM 1695 ILE S 680 25.302 69.294 48.964 1.00 0.00 CA

ATOM 1696C ILE S 680 24.912 67.930 49.484 1.00 0.00 ATOM 1697 ILE S 680 25.451 67.488 50.508 1.00 0.00 O

ATOM 1698 ILE S 680 26.322 69.234 47.803 1.00 0.00 CB

ATOM 1699CG1 ILE S 680 25.665 69.211 46.422 1.00 0.00 ATOM 1700CG2 ILE S 680 27.318 68.076 47.960 1.00 0.00 ATOM 1701 ILE S 680 26.663 69.463 45.290 1.00 0.00 CDl ATOM 1702 ILE S 680 26.025 69.482 50.947 1.00 0.00 H

ATOM 1703 TYR S 681 23.998 67.308 48.764 1.00 0.00 N

ATOM 1704CA TYR S 681 23.676 65.918 49.043 1.00 0.00 ATOM 1705 TYR S 681 23.942 65.079 47.798 1.00 0.00 C

ATOM 1706 TYR S 681 23.306 64.0$2 47.464 1.00 0.00 O

ATOM 1707 TYR S 681 22.233 65.858 49.566 1.00 0.00 CB

ATOM 1708 TYR S 681 22.150 66.509 50.924 1.00 0.00 CG

ATOM 1709CD1 TYR S 681 22.274 65.697 52.068 1.00 0.00 ATOM 1710 TYR S 681 21.978 67.907 51.025 1.00 0.00 ATOM 1711CE1 TYR S 681 22.287 66.299 53.338 1.00 0.00 ATOM 1712 TYR S 681 22.007 68.512 52.293 1.00 0.00 ATOM 1713 TYR S 681 22.175 67.700 53.433 1.00 0.00 CZ

ATOM 17140H TYR S 681 22.229 68.292 54.687 1.00 0.00 ATOM 1715H TYR S 681 23.518 67.809 48.046 1.00 0.00 ATOM 1716 TYR S 681 22.766 69.081 54.612 1.00 0.00 H

ATOM 1717 ALA S 682 24.956 65.574 47.052 1.00 0.00 N

ATOM 1718 ALA S 682 25.259 65.127 45.686 1.00 0.00 CA

ATOM 1719C ALA S 682 25.008 63.666 45.384 1.00 0.00 ATOM 17200 ALA S 682 25.581 62.798 46.029 1.00 0.00 ATOM 1721 ALA S 682 26.715 65.428 45.332 1.00 0.00 CB

ATOM 1722H ALA S 682 25.348 66.407 47.435 1.00 0.00 ATOM 1723 THR S 683 24.133 63.392 44.418 1.00 0.00 N

ATOM 1724 THR S 683 23.975 61.977 44.113 1.00 0.00 CA

ATOM 1725C THR S 683 25.121 61.425 43.255 1.00 0.00 ATOM 1726 THR S 683 26.125 62.104 43.032 1.00 0.00 O

ATOM 1727 THR S 683 22.531 31.705 43.610 1.00 0.00 CB

ATOM 1728 THR S 683 22.178 60.316 43.674 1.00 0.00 OGl ATOM 1729 THR S 683 22.203 62.246 42.226 1.00 0.00 ATOM 1730H THR S 683 23.820 64.093 43.771 1.00 0.00 ATOM 1731 THR S 683 22.584 59.960 44.466 1.00 0.00 HGl ATOM 1732 VAL S 684 24.944 60.160 42.839 1.00 0.00 N

Igs SUBSTITUTE SHEET (RULE 26) ATOM 1733 VAL S 684 25.659 59.574 41.707 1.00 0.00 CA

ATOM 1734 VAL S 684 24.991 58.294 41.319 1.00 0.00 C

ATOM 17350 VAL S 684 24.318 57.610 42.087 1.00 0.00 ATOM 1736CB VAL S 684 27.138 59.197 41.882 1.00 0.00 ATOM 1737 VAL S 684 28.068 60.270 41.342 1.00 0.00 ATOM 1738 VAL S 684 27.468 58.615 43.251 1.00 0.00 _ ATOM 1739 VAL S 684 24.105 59.684 43.116 1.00 0.00 H

ATOM 1740 LYS S 685 25.263 57.970 40.057 1.00 0.00 N

ATOM 1741CA LYS S 685 24.690 56.709 39.623 1.00 0.00 ATOM 1742 LYS S 685 25.620 55.591 40.020 1.00 0.00 C

ATOM 17430 LYS S 685 26.799 55.815 40.326 1.00 0.00 ATOM 1744 LYS S 685 24.315 56.761 38.140 1.00 0.00 CB

ATOM 1745 LYS S 685 23.013 57.545 37.886 1.00 0.00 CG

ATOM 1746 LYS S 685 23.025 59.010 38.343 1.00 0.00 CD

ATOM 1747 LYS S 685 21.693 59.734 38.258 1.00 0.00 CE

ATOM 1748 LYS S 685 21.385 59.972 36.856 1.00 0.00 NZ

ATOM 1749H LYS S 685 25.831 58.580 39.497 1.00 0.00 ATOM 1750 LYS S 685 20.526 59.526 36.500 1.00 0.00 ATOM 17512HZ LYS S 685 21.353 60.989 36.633 1.00 0.00 ATOM 1752 LYS S 685 22.167 59.645 36.259 1.00 0.00 ATOM 1753 GLN S 686 25.001 54.413 40.089 1.00 0.00 N

ATOM 1754 GLN S 686 25.666 53.337 40.793 1.00 0.00 CA

ATOM 1755 GLN S 686 26.936 52.902 40.112 1.00 0.00 C

ATOM 1756 GLN S 686 27.153 53.060 38.912 1.00 0.00 O

ATOM 1757CB GLN S 686 24.676 52.198 41.086 1.00 0.00 ATOM 1758 GIN S 686 24.984 51.268 42.276 1.00 0.00 CG

ATOM 1759 GLN S 686 25.397 52.052 43.515 1.00 0.00 CD

ATOM 1760 GLN S 686 26.512 52.538 43.610 1.00 0.00 ATOM 1761 GLN 5 686 24.500 52.121 44.499 1.00 0.00 ATOM 1762 GLN S 686 24.089 54.305 39.703 1.00 0.00 H

ATOM 1763 GLN S 686 24.655 52.726 45.284 1.00 0.00 ATOM 1764 GLN S 686 23.652 51.596 44.462 1.00 0.00 ATOM 1765 SER S 687 27.827 52.411 40.988 1.00 0.00 N

ATOM 1766CA SER S 687 29.128 51.889 40.576 1.00 0.00 ATOM 1767 SER S 687 29.931 52.713 39.576 1.00 0.00 C

ATOM 17680 SER S 687 30.706 52.246 38.744 1.00 0.00 ATOM 1769 SER S 687 28.995 50.423 40.183 1.00 0.00 CB

ATOM 177006 SER S 687 30.179 49.745 40.615 1.00 0.00 ATOM 1771H SER S 687 27.555 52.341 41.949 1.00 0.00 ATOM 1772HG SER S 687 30.047 48.835 40.360 1.00 0.00 ATOM 1773 SER S 688 29.746 54.017 39.729 1.00 0.00 N

ATOM 1774 SER S 688 30.401 54.940 38.834 1.00 0.00 CA

ATOM 1775C SER S 688 31.868 55.132 39.185 1.00 0.00 ATOM 1776 SER S 688 32.298 55.008 40.340 1.00 0.00 O

ATOM 1777 SER S 688 29.585 56.240 38.861 1.00 0.00 CB

ATOM 1778 SER S 688 29.995 57.118 37.806 1.00 0.00 OG

ATOM 1779H SER S 688 29.133 54.349 40.441 1.00 0.00 ATOM 1780HG SER S 688 29.780 56.645 36.995 1.00 0.00 ATOM 1781N VAL S 689 32.597 55.472 38.110 1.00 0.00 ATOM 1782CA VAL S 689 33.337 56.742 38.000 1.00 0.00 ATOM 1783 VAL S 689 33.414 57.580 39.278 1.00 0.00 C

ATOM 1784 VAL S 689 34.406 57.635 40.005 1.00 0.00 O

ATOM 1785CB VAL S 689 32.712 57.580 36.853 1.00 0.00 ATOM 1786CG1 VAL S 689 33.442 58.887 36.576 1.00 0.00 ATOM 1787CG2 VAL S 689 32.445 56.779 35.578 1.00 0.00 ATOM 1788H VAL S 689 32.437 54.935 37.287 1.00 0.00 ATOM 1789N ASP S 690 32.281 58.260 39.539 I.00 0.00 ATOM 1790 ASP S 690 32.296 59.125 40.718 1.00 0.00 CA

ATOM 1791 ASP S 690 31.748 58.481 41.985 1.00 0.00 C

ATOM 17920 ASP S 690 31.366 59.107 42.968 1.00 0.00 ATOM 1793 ASP S 690 31.678 60.500 40.404 1.00 0.00 CB

ATOM 1794 ASP S 690 31.915 61.497 41.535 1.00 0.00 CG

SUBSTITUTE SHEET (RULE 26) ATOM 17950D1 ASP S 690 31.116 62.418 41.686 1.00 0.00 ATOM 1796 ASP S 690 32.871 61.333 42.294 1.00 0.00 ATOM 1797 ASP S 690 31.500 58.264 38.915 1.00- 0.00 H

ATOM 1798N ILE S 691 31.773 57.154 41.-976 1.00 0.00 ATOM 1799 ILE S 691 32.015 56.569 43.287 1.00 0.00 CA

ATOM 1800 ILE S 691 33.498 56.550 43.569 1.00 0.00 C -ATOM 1801 ILE S 691 33.942 56.904 44.651 1.00 0.00 O

ATOM 1802 ILE S 691 31.407 55.172 43.419 1.00 0.00 CB

ATOM 1803 ILE S 691 29.904 55.300 43.197 1.00 0.00 ATOM 1804 ILE S 691 31.707 54.579 44.806 1.00 0.00 ATOM 1805 ILE S 691 29.181 54.009 43.548 1.00 0.00 CDl ATOM 1806 ILE S 691 31.887 56.675 41.117 1.00 0.00 H

ATOM 1807 TYR S 692 34.257 56.116 42.540 1.00 0.00 N

ATOM 1808 TYR S 692 35.715 56.051 42.692 1.00 0.00 CA

ATOM 1809 TYR S 692 36.354 57.362 43.107 1.00 0.00 C

ATOM 18100 TYR S 692 36.975 57.463 44.163 1.00 0.00 ATOM 1811 TYR S 692 36.404 55.537 41.420 1.00 0.00 CB

ATOM 1812 TYR S 692 36.034 54.104 41.120 1.00 0.00 CG

ATOM 1813 TYR S 692 36.525 53.079 41.955 1.00 0.00 ATOM 1814 TYR S 692 35.220 53.830 40.003 1.00 0.00 ATOM 1815 TYR S 692 36.196 51.746 41.663 1.00 0.00 CEl ATOM 1816 TYR S 692 34.889 52.496 39.712 1.00 0.00 ATOM 1817CZ TYR S 692 35.382 51.471 40.547 1.00 0.00 ATOM 1818 TYR S 692 35.059 50.159 40.273 1.00 0.00 OH

ATOM 18198 TYR S 692 33.836 55.925 41.656 1.00 0.00 ATOM 1820 TYR S 692 34.392 50.198 39.588 1.00 0.00 HH

ATOM 1821 PHE S 693 36.153 58.380 42.245 i.00 0.00 N

ATOM 1822 PHE S 693 36.638 59.734 42.532 1.00 0.00 CA

ATOM 1823 PHE S 693 36.291 60.206 43.935 1.00 0.00 C

ATOM 1824 PHE S 693 37.138 60.525 44.770 1.00 0.00 ATOM 1825 PHE S 693 36.084 60.684 41.459 1.00 0.00 CB

ATOM 1826 PHE S 693 36.698 62.065 41.520 1.00 0.00 CG

ATOM 1827 PHE S 693 37.907 62.318 40.835 1.00 0.00 ATOM 1828 PHE S 693 36.041 63.086 42.241 1.00 0.00 ATOM 1829 PHE S 693 38.458 63.613 40.854 1.00 0.00 CEl ATOM 1830 PHE S 693 36.592 64.382 42.262 1.00 0.00 ATOM 1831 PHE S 693 37.790 64.624 41.562 1.00 0.00 CZ

ATOM 1832 PHE S 693 35.559 58.210 41.458 1.00 0.00 H

ATOM 1833 ARG S 694 34.962 60.211 44.166 1.00 0.00 N

ATOM 1834 ARG S 694 34.403 60.480 45.495 1.00 0.00 CA

ATOM 1835 ARG S 694 34.994 59.664 46.631 1.00 0.00 C

ATOM 1836 ARG S 694 35.185 60.150 47.736 1.00 0.00 O

ATOM 1837 ARG S 694 32.883 60.294 45.503 1.00 0.00 CB

ATOM 2.838 ARG S 694 32.101 61.030 46.602 1.00 0.00 CG

ATOM 1839CD ARG S 694 31.938 62.526 46.315 1.00 0.00 ATOM 1840 ARG S 694 31.013 63.203 47.228 1.00 0.00 NE

ATOM 1841 ARG S 694 30.586 64.452 46.934 1.00 0.00 CZ

ATOM 1842 ARG S 694 29.613 65.009 47.658 1.00 0.00 ATOM 1843 ARG S 694 31.133 65.137 45.937 1.00 0.00 ATOM 1844 ARG S 694 34.357 60.153 43.365 1.00 0.00 H

ATOM 1845 ARG S 694 30.724 62.743 48.070 1.00 0.00 HE

ATOM 1846 ARG S 694 29.352 65.965 47.495 1.00 0.00 ATOM 18472881ARG S 694 29.133 64.521 48.390 1.00 0.00 ATOM 1848 ARG S 694 30.768 66.018 45.652 1.00 0.00 ATOM 18492882ARG S 694 31.958 64.797 45.347 1.00 0.00 ATOM 1850N ARG S 695 35.297 58.394 46.332 1.00 0.00 ATOM 1851 ARG S 695 35.772 57.522 47.394 1.00 0.00 CA

ATOM 1852 ARG S 695 37.022 58.050 48.052 1.00 0.00 C

ATOM 1853 ARG S 695 37.086 58.112 49.268 1.00 0.00 O

ATOM 1854 ARG S 695 35.976 56.088 46.901 1.00 0.00 CB

ATOM 1855CG ARG S 695 36.034 55.074 48.042 1.00 0.00 ATOM 1856 ARG S 695 34.733 54.303 48.300 1.00 0.00 CD

1g7 SUBSTITUTE SHEET (RULE 26) ATOM 1857NE ARG S 695 33.532 55.124 48.519 1.00 0.00 ATOM 1858 ARG S 695 33.248 55.723 49.705 1.00 0.00 CZ

ATOM 1859NH1 ARG S 695 32.005 56.132 49.932 1.00 0.00 ATOM 1860NH2 ARG S 695 34.177 55.903 50:633 1.00 0.00 ATOM 1861 ARG S 695 35.230 58.064 45.392 1.00 0.00 H

ATOM 1862 ARG S 695 32.848 55.078 47.787 1.00 0.00 HE _ ATOM 1863 ~.RGS 695 31.716 56.522 50.807 1.00 0.00 ATOM 18642HH1ARG S 695 31.311 56.061 49.212 1.00 0.00 ATOM 1865 ARG S 695 33.954 56.195 51.561 1.00 0.00 ATOM 18662HH2ARG S 695 35.143 55.762 50.417 1.00 0.00 ATOM 1867 GLN S 696 37.966 58.474 47.190 1.00 0.00 N

ATOM 1868 GLN S 696 39.249 58.940 47.717 1.00 0.00 CA

ATOM 1869 GLN S 696 39.354 60.451 47.704 1.00 0.00 C

ATOM 1870 GLN S 696 39.429 61.147 48.708 1.00 0.00 O

ATOM 1871 GLN S 696 40.405 58.344 46.900 1.00 0.00 CB

ATOM 1872 GLN S 696 40.179 56.932 46.346 1.00 0.00 CG

ATOM 1873 GLN S 696 40.076 55.924 47.470 1.00 0.00 CD

ATOM OE1 GLN S 696 39.191 55.959 48.314 1.00 0.00 ATOM 1875 GLN S 696 41.041 55.007 47.440 1.00 0.00 ATOM 1876 GLN 5 696 37.720 58.479 46.219 1.00 0.00 H

ATOM 1877 GLN S 696 41.068 54.313 48.158 1.00 0.00 ATOM 1878 GLN S 696 41.724 55.036 46.713 1.00 0.00 ATOM 1879N VAL S 697 39.331 60.940 46.459 1.00 0.00 ATOM 1880 VAL S 697 39.584 62.359 46.212 1.00 0.00 CA

ATOM 1881C VAL S 697 38.477 63.251 46.754 1.00 0.00 ATOM 1882 VAL S 697 38.657 64.411 47.113 1.00 0.00 O

ATOM 1883 VAL S 697 39.792 62.597 44.704 1.00 0.00 CB

ATOM 1884 VAL S 697 40.276 64.018 44.399 1.00 0.00 ATOM 1885 VAL S 69? 40.736 61.555 44.096 1.00 0.00 ATOM 1886 VAL S 697 38.966 60.359 45.733 1.00 0.00 H

ATOM 1887N GLU S 698 37.283 62.962 46.803 1.00 0.00 ATOM 1888 GLU S 698 36.286 63.423 47.535 1.00 0.00 CA

ATOM 1889 GLU S 698 35.847 62.738 48.813 1.00 0.00 C

ATOM 18900 GLU S 698 34.708 62.841 49.262 1.00 0.00 ATOM 1891 GLU S 698 35.110 63.831 46.650 1.00 0.00 CB

ATOM 1892 GLU S 698 35.363 64.995 45.684 1.00 0.00 CG

ATOM 1893 GLU S 698 34.051 65.397 45.027 1.00 0.00 CD

ATOM 1894 GLU S 698 33.498 64.626 44.257 1.00 0.00 ATOM 1895 GLU S 698 33.543 66.483 45.278 1.00 0.00 ATOM 1896 GLU S 698 37.168 61.714 46.500 1.00 0.00 H

ATOM 1897 LEU S 699 36.832 62.076 49.433 1.00 0.00 N

ATOM 1898 LEU S 699 36.621 61.648 50.810 1.00 0.00 CA

ATOM 1899C LEU S 699 37.059 62.712 51.782 1.00 0.00 ATOM 19000 LEU S 699 37.845 62.520 52.700 1.00 0.00 ATOM 1901 LEU S 699 37.329 60.342 51.149 1.00 0.00 CB

ATOM 1902 LEU S 699 36.673 59.583 52.308 1.00 0.00 CG

ATOM 1903 LEU S 699 35.205 59.256 52.023 1.00 0.00 ATOM 1904 LEU S 699 37.473 58.336 52.690 1.00 0.00 ATOM 1905 LEU S 699 37.739 62.018 49.023 1.00 0.00 H

ATOM 1906 SER S 700 36.487 63.884 51.546 1.00 0.00 N

ATOM 1907 SER S 700 36.329 64.638 52.769 1.00 0.00 CA

ATOM 1908 SER S 700 34.941 64.286 53.276 1.00 0.00 C

ATOM 1909 SER S 700 34.280 63.441 52.673 1.00 0.00 O

ATOM 1910 SER S 700 36.583 66.102 52.456 1.00 0.00 CB

ATOM 1911 SER S 700 37.677 66.218 51.520 1.00 0.00 OG

ATOM 1912 SER S 700 35.848 63.982 50.787 1.00 0.00 H

ATOM 1913 SER S 700 38.317 65.572 51.825 1.00 0.00 HG

ATOM 1914 THR S 701 34.527 64.913 54.379 1.00 0.00 N

ATOM 1915 THR S 701 33.290 64.467 55.017 1.00 0.00 CA

ATOM 1916 THR S 701 32.005 64.803 54.264 1.00 0.00 C

ATOM 1917 THR S 701 31.299 65.724 54.658 1.00 0.00 O

ATOM 1918 THR S 701 33.296 65.092 56.411 1.00 0.00 CB

Igg SUBSTITUTE SHEET (RULE 26) ATOM 1919061 THR S 701 33.757 66.457 56.324 1.00 0.00 ATOM 1920 THR S 701 34.196 64.301 57.363 1.00 0.00 ATOM 1921 THR S 701 35.034 65.6.6954.794 1.00 0.00 H

ATOM 1922 THR S 701 34.101 66.689 57..189 1.00 0.00 ATOM 1923 MET S 702 31.735 64.973-53.185 1.00 0.00 N

ATOM 1924 MET S 702 30.680 64.555 52.304 1.00 0.00 CA _ ATOM 1925 'MET S 702 29.384 63.784 52.387 1.00 0.00 C

ATOM 1926 MET S 702 29.349 62.559 52.311 1.00 0.00 O

ATOM 1927 MET S 702 31.158 64.565 50.849 1.OD O.DO
CB

ATOM 192BCG MET S 702 32.470 65.316 50.629 1.00 0.00 ATOM 192980 MET S 702 32.899 65.481 48.892 1.00 0.00 ATOM 1930CE MET S 702 34.345 66.530 49.083 1.00 0.00 ATOM 1931 MET S 702 32.316 63.300 52.938 1.00 0.00 H

ATOM 1932 TYR S 703 28.302 64.571 52.463 1.00 0.00 N

ATOM 1933 TYR S 703 27.061 63.922 52.062 1.00 0.00 CA

ATOM 1934 TYR S 703 27.080 63.793 50.554 1.00 0.00 C

ATOM 19350 TYR S 703 27.656 64.621 49.840 1.00 0.00 ATOM 1936 TYR S 703 25.821 64.657 52.587 1.00 0.00 CB

ATOM 1937 TYR S 703 24.861 63.672 53.233 1.00 0.00 CG

ATOM 1938 TYR S 703 24.539 63.828 54.597 1.00 0.00 CDl ATOM 1939 TYR S 703 24.310 62.624 52.466 1.00 0.00 ATOM 1940 TYR S 703 23.660 62.913 55.208 1.00 0.00 ATOM 1941CE2 TYR S 703 23.443 61.702 53.076 1.00 0.00 ATOM 1942 TYR S 703 23.132 61.851 54.442 1.00 O.UO
CZ

ATOM 1943 TYR S 703 22.302 60.916 55.038 1.00 0.00 OH

ATOM 1944 TYR S 703 28.424 65.562 52.430 1.00 0.00 H

ATOM 1945 TYR S 703 21.883 61.314 55.797 1.00 0.00 HH

ATOM 1946 ARG S 704 26.545 62.675 50.124 1.00 0.00 N

ATOM 1947 ARG S 704 26.666 62.236 48.748 1.00 0.00 CA

ATOM 1948 ARG S 704 25.722 61.084 48.672 1.00 0.00 C

ATOM 19490 ARG S 704 25.996 59.999 49.171 1.00 0.00 ATOM 1950 ARG S 704 28.133 61.876 48.432 1.00 0.00 CB

ATOM 1951 ARG S 704 28.552 60.776 47.440 1.00 0.00 CG

ATOM 1952 ARG S 704 28.021 60.754 46.000 1.00 0.00 CD

ATOM 1953 ARG S 704 28.103 62.010 45.247 1.00 0.00 NE

ATOM 1954 ARG S 704 28..88262.131 44.143 1.00 0.00 CZ

ATOM 1955NH1 ARG S 704 28.670 63.117 43.285 1.00 0.00 ATOM 1956 ARG S 704 29.838 61.272 43.877 1.00 0.00 ATOM 1957H ARG S 704 26.124 62.100 50.824 1.00 0.00 ATOM 1958HE ARG S 704 27.353 62.657 45.378 1.00 0.00 ATOM 1959 ARG S 704 29.298 63.219 42.499 1.00 0.00 ATOM 19602HH1ARG S 704 27.876 63.720 43.366 1.00 0.00 ATOM 1961 ARG S 704 30.435 61.403 43.076 1.00 0.00 ATOM 19622HH2ARG S 704 29.986 60.974 44.448 1.00 0.00 ATOM 1963 HIS 5 705 24.564 61.388 48.076 1.00 0.00 N

ATOM 1964 HIS S 705 23.554 -60.36047.845 1.00 0.00 CA

ATOM 1965C HIS S 705 24.052 59.379 46.799 1.00 0.00 ATOM 1966 HIS S 705 23.858 59.498 45.593 1.00 0.00 O

ATOM 1967 HIS S 705 22.226 61.012 47.437 1.00 0.00 CB

ATOM 1968CG HIS S 705 21.600 61.818 48.563 1.00 0.00 ATOM 1969ND1 HIS S 705 20.457 62.523 48.434 1.00 0.00 ATOM 1970CD2 HIS S 705 22.050 61.961 49.880 1.00 0.00 ATOM 1971 HIS S 705 20.184 63.091 49.652 1.00 0.00 ATOM 1972 HIS S 705 21.173 62.752 50.547 1.00 0.00 ATOM 1973 HIS S 705 24.404 62.322 47.742 1.00 0.00 H

ATOM 1974HD1 HIS S 705 19.939 62.682 47.618 1.00 0.00 ATOM 1975 MET S 706 24.815 58.422 47.321 1.00 0.00 N

ATOM 1976CA MET S 706 25.538 57.546 ,46.409 1.00 0.00 ATOM 1977 MET S 706 24.614 56.488 45.862 1.00 0.00 C

ATOM 1978 MET S 706 24.506 55.392 46.400 1.00 0.00 O

ATOM 1979CB MET S 706 26.721 56.930 47.150 1.00 0.00 ATOM 1980 MET S 706 27.276 56.268 46.215 1.00 0.00 CG

SUBSTITUTE SHEET (RULE 26) ATOM 1981 MET S 706 29.060 55.467 47.114 1.00 0.00 SD

ATOM 1982 MET S 706 28.165 53.985 47.619 1.00 0.00 CE

ATOM 1983 MET S 706 24.957 58.417 48.313 1.00 0.00 H

ATOM 1984 GLU S 707 23.871 56.880 44:836 1.00 0.00 N

ATOM 1985 GLU S 707 22.602 56.198'44.745 1.00 0.00 CA

ATOM 1986 GLU S 707 22.613 54.891 44.001 1.00 0.00 C _ ATOM 1987 -GLU S 707 23.449 54.631 43.149 1.00 0.00 O

ATOM 1988 GLU S 707 21.537 57.197 44.287 1.00 0.00 CB

ATOM 1989 GLU S 707 20.112 56.889 44.759 1.00 0.00 CG

ATOM 1990 GLU S 707 20.132 56.469 46.216 1.00 0.00 CD

ATOM 19910E1 GLU S 707 20.644 57.210 47.057 1.00 0.00 ATOM 1992 GLU S 707 19.658 55.373 46.493 1.00 0.00 ATOM 1993 GLU S 707 24.044 57.713 44.311 1.00 0.00 H

ATOM 1994 LYS S 708 21.614 54.087 44.400 1.00 0.00 N

ATOM 1995 LYS S 708 21.377 52.758 43.845 1.00 0.00 CA

ATOM 1996 LYS S 708 20.952 52.796 42.387 1.00 0.00 C

ATOM 1997 LYS S 708 21.744 53.061 41.518 1.00 0.00 O

ATOM 1998 LYS S 708 20.423 51.961 44.749 1.00 0.00 CB

ATOM 1999 LYS S 708 20.680 52.212 46.239 1.00 0.00 CG

ATOM 2000 LYS S 708 19.653 51.624 47.213 1.00 0.00 CD

ATOM 2001 LYS S 708 18.169 51.861 46.885 1.00 0.00 CE

ATOM 2002 LYS S 708 17.884 53.226 46.423 1.00 0.00 NZ

ATOM 2003 LYS S 708 21.011 54.452 45.111 1.00 0.00 H

ATOM 2004 LYS S 708 18.480 53.967 46.841 1.00 0.00 ATOM 20052HZ LYS S 708 17.983 53.256 45.389 1.00 0.00 ATOM 20063HZ LYS S 708 16.873 53.459 46.518 1.00 0.00 ATOM 2007 HIS S 709 19.679 52.534 42.110 1.00 0.00 N

ATOM 2008 HIS S 709 19.385 52.517 40.691 1.00 0.00 CA

ATOM 2009C HIS S 709 19.359 53.912 40.092 1.00 0.00 ATOM 20100 HIS S 709 18.790 54.964 40.629 1.00 0.00 ATOM 2011 HIS S 709 18.105 51.713 40.439 1.00 0.00 CB

ATOM 2012 HIS S 709 17.851 51.537 38.961 1.00 0.00 CG

ATOM 2013 HIS S 709 16.804 52.101 38.342 1.00 0.00 ATOM 2014 HIS S 709 18.591 50.808 38.023 1.00 0.00 ATOM 2015 HIS S 709 16.865 51.744 37.023 1.00 0.00 ATOM 2016 HIS S 709 17.963 50.947 36.827 1.00 0.00 ATOM 2017H HIS S 709 18.960 52.645 42.793 1.00 0.00 ATOM 2018 HIS S 709 16.059 52.572 38.767 1.00 0.00 HDl ATOM 2019 ASN S 710 19.990 53.954 38.905 1.00 0.00 N

ATOM 2020 ASN S 710 19.992 55.150 38.053 1.00 0.00 CA

ATOM 2021 ASN S 710 18.692 55.937 38.092 1.00 0.00 C

ATOM 2022 ASN S 710 18.677 57.152 38.327 1.00 0.00 O

ATOM 2023 ASN S 710 20.370 54.756 36.610 1.00 0.00 CB

ATOM 2024 ASN S 710 20.278 55.926 35.633 1.00 0.00 CG

ATOM 2025 ASN S 710 20.397 57.103 35.980 1.00 0.00 ATOM 2026 ASN S 710 19.987 55.554 34.380 1.00 0.00 ATOM 2027 ASN S 710 20.552 53.167 38.654 1.00 0.00 H

ATOM 2028 ASN S 710 19.801 56.232 33.667 1.00 0.00 ATOM 20292HD2ASN S 710 20.005 54.598 34.089 1.00 0.00 ATOM 2030N TYR S 711 17.605 55.171 37.875 1.00 0.00 ATOM 2031 TYR S 711 16.318 55.849 38.858 1.00 0.00 CA

ATOM 2032 TYR S 711 15.808 56.388 39.173 1.00 0.00 C

ATOM 2033 TYR S 711 15.246 57.473 39.182 1.00 0.00 O

ATOM 2034 TYR S 711 15.245 55.072 37.096 1.00 0.00 CB

ATOM 2035 TYR S 711 15.018 55.772 35.775 1.00 0.00 CG

ATOM 2036 TYR S 711 15.630 55.257 34.614 1.00 0.00 ATOM 2037 TYR S 711 14.217 56.933 35.741 1.00 0.00 ATOM 2038 TYR S 711 15.456 55.934 33.396 1.00 0.00 ATOM 2039 TYR S 711 14.048 57.613 34.523 1.00 0.00 ATOM 2040 TYR S 711 14.677 57.110 33.367 1.00 0.00 CZ

ATOM 2041 TYR S 711 14.535 57.787 32.167 1.00 0.00 OH

ATOM 2042 TYR S 711 17.691 54.184 37.751 1.00 0.00 H

SUBSTITUTE SHEET (RULE 26) r ATOM 2043 TYR S 711 14.815 57.204 31.457 1.00 0.00 HH

ATOM 2044 GLU S 712 16.071 55.666 40.278 1.00 0.00 N

ATOM 2045 GLU S 712 15.760 56.258 41.589 1.OQ 0.00 CA

ATOM 2046 GLU S 712 16.455 57.591 41.791 1.00 0.00 C

ATOM 2047 GLU S 712 15.854 58.-644-41.961 1.00 0.00 O

ATOM 2048 GLU S 712 16.196 55.360 42.734 1.00 0.00 CB .

ATOM 2049CG -GLU S 712 15.772 53.902 42.650 1.00 0.00 ATOM 2050 GLU S 712 16.325 53.248 43.889 1.00 0.00 CD

ATOM 2051 GLU S 712 17.295 52.505 43.808 1.00 0.00 ATOM 2052 GLU S 712 15.805 53.505 44.963 1.00 0.00 ATOM 2053 GLU S 712 16.604 54.826 40.246 1.00 0.00 H

ATOM 2054 SER S 713 17.794 57.510 41.633 1.00 0.00 N

ATOM 2055 SER S 713 18.616 58.731 41.666 1.00 0.00 CA

ATOM 2056 SER S 713 18.030 59.862 40.824 1.00 0.00 C

ATOM 20570 SER S 713 17.829 60.995 41.252 1.00 0.00 ATOM 2058 SER S 713 20.045 58.363 41.253 1.00 0.00 CB

ATOM 2059 SER S 713 20.994 59.406 41.511 1.00 0.00 OG

ATOM 2060H SER S 713 18.179 56.587 41.548 1.00 0.00 ATOM 2061 SER S 713 20.838 59.728 42.403 1.00 0.00 HG

ATOM 2062 ALA S 714 17.631 59.430 39.619 1.00 0.00 N

ATOM 2063 ALA S 714 16.939 60.343 38.725 1.00 0.00 CA

ATOM 2064 ALA S 714 15.644 60.928 39.253 1.00 0.00 C

ATOM 2065 ALA S 714 15.402 62.121 39.127 1.00 0.00 O

ATOM 2066 ALA S 714 16.670 59.679 37.371 1.00 0.00 CB

ATOM 2067 ALA S 714 17.691 58.456 39.419 1.00 0.00 H

ATOM 2068 ALA S 715 14.826 60.040 39.823 1.00 0.00 N

ATOM 2069 ALA S 715 13.465 60.383 40.208 1.00 0.00 CA

ATOM 2070C ALA S 715 13.366 61.174 41.490 1.00 0.00 ATOM 2071 ALA S 715 12.321 61.733 41.809 1.00 0.00 O

ATOM 2072 ALA S 715 12.609 59.124 30.343 1.00 0.00 CB

ATOM 2073 ALA S 715 15.206 59.145 40.048 1.00 0.00 H

ATOM 2074 GLU S 716 14.485 61.230 42.213 1.00 0.00 N

ATOM 2075 GLU S 716 14.484 62.263 43.236 1.00 0.00 CA

ATOM 2076 GLU S 716 15.170 63.535 42.802 1.00 0.00 C

ATOM 20770 GLU S 716 15.009 64.576 43.421 1.00 0.00 ATOM 2078 GLU S 716 15.097 61.794 44.537 1.00 0.00 CB

ATOM 2079 GLU S 716 14.230 60.903 45.416 1.00 0.00 CG

ATOM 2080CD GLU S 716 15.075 60.524 46.612 1.00 0.00 ATOM 20810E1 GLU S 716 15.429 61.388 47.409 1.00 0.00 ATOM 20820E2 GLU S 716 15.431 59.362 46.739 1.00 0.00 ATOM 2083 GLU S 716 15.281 60.645 42.043 1.00 0.00 H

ATOM 2084 ALA S 717 15.927 63.447 41.704 1.00 0.00 N

ATOM 2085 ALA S 717 16.518 64.667 41.171 1.00 0.00 CA

ATOM 20$6 ALA S 717 15.497 65.553 40.471 1.00 0.00 C

ATOM 2087 ALA S 717 15.482 66.783 40.544 1.00 0.00 O

ATOM 2088 ALA S 717 17.636 64.294 40.209 1.00 0.00 CB

ATOM 2089 ALA S 717 16.044 62.581 41.221 1.00 0.00 H

ATOM 2090 ILE S 718 14.556 64.864 39.818 1.00 0.00 N

ATOM 2091 ILE S 718 13.371 65.602 39.375 1.00 0.00 CA

ATOM 2092 ILE S 718 12.576 66.288 40.504 1.00 0.00 C

ATOM 2093 ILE S 718 11.748 67.163 40.301 1.00 0.00 O

ATOM 2094 ILE S 718 12.514 64.719 38.452 1.00 0.00 CB

ATOM 2095 ILE S 718 11.603 65.553 37.546 1.00 0.00 CGl ATOM 2096 ILE S 718 11.717 63.682 39.251 1.00 0.00 ATOM 2097 ILE S 718 10.894 64.716 36.479 1.00 0.00 ATOM 2098 ILE S 718 14.627 63.870 39.736 1.00 0.00 H

ATOM 2099N GLN S 719 12.923 65.902 41.746 1.00 0.00 ATOM 2100 GLN S 719 12.446 66.632 42.929 1.00 0.00 CA

ATOM 2101 GLN S 719 13.503 67.525 43.578 1.00 0.00 C

ATOM 2102 GLN S 719 13.223 68.406 44.368 1.00 0.00 O

ATOM 2103 GLN S 719 11.923 65.654 43.976 1.00 0.00 CB

ATOM 2104 GLN S 719 10.931 64.652 43.399 1.00 0.00 CG

SUBSTITUTE SHEET (RULE 26) 'WO 98/38208 PCT/US98/03951 ATOM 2105CD GLN S 719 10.515 63.690 44.485 1.00 0.00 ATOM 21060E1 GLN S 719 9.831 64.039 45.439 1.00 0.00 ATOM 2107NE2 GLN S 719 10.896 62.439 44.260 1.00 D.00 ATOM 2108H GLN S 719 13.601 65.171 41.850 1.00 0.00 ATOM 21091HE2 GLN S 719 10.673 61.761- 44.959 1.00 0.00 ATOM 21102HE2, GLN S 719 11.381 62.222 43.416 1.00 0.00 ATOM 2111N -ALA S 720 14.762 67.251 43.187 1.00 0.00 ATOM 2112CA ALA S 720 15.967 67.809 43.819 1.00 0.00 ATOM 2113 C ALA S 720 16.199 67.335 45.247 1.00 0.00 ATOM 2114 O ALA S 720 16.154 68.083 46.217 1.00 0.00 ATOM 2115CS ALA S 720 16.037 69.342 43.732 1.00 0.00 ATOM 2116 H ALA S 720 14.909 66.440 42.625 1.00 0.00 ATOM 2117N VAL S 721 16.419 66.014 45.348 1.00 0.00 ATOM 2118 CA VAL S 721 16.824 65.438 46.634 1.00 0.00 ATOM 2119C VAL S 721 18.030 64.523 46.466 1.00 0.00 ATOM 21200 VAL S 721 19.051 64.610 47.147 1.00 0.00 ATOM 2121 CB VAL S 721 15.680 64.673 47.326 1.00 0.00 ATOM 2122 CG1 VAL S 721 16.056 64.366 48.780 1.00 0.00 ATOM 2123 CG2 VAL S 721 14.325 65.382 47.246 1.00 0.00 ATOM 2124H VAL S 721 16.325 65.466 44.521 1.00 0.00 ATOM 2125N ARG S 722 17.886 63.623 45.473 1.00 0.00 ATOM 2126 CA ARG S 722 19.134 63.064 44.963 1.00 0.00 ATOM 2127C ARG S 722 19.823 64.129 44.136 1.00 0.00 ATOM 21280 ARG S 722 19.408 64.503 43.040 1.00 0.00 ATOM 2129 CB ARG S 722 18.956 61.773 44.159 1.00 0.00 ATOM 2130 CG ARG S 722 18.375 60.544 44.872 1.00 0.00 ATOM 2131 CD ARG S 722 19.020 60.121 46.193 1.00 0.00 ATOM 2132 NE ARG S 722 18.062 60.316 47.276 1.00 0.00 ATOM 2133 CZ ARG S 722 17.894 59.523 48.355 1.00 0.00 ATOM 2134NH1 ARG S 722 16.909 59.813 49.198 1.00 0.00 ATOM 2135NH2 ARG S 722 18.673 58.465 48.557 1.00 0.00 ATOM 2136 H ARG S 722 17.037 63.624 44.949 1.00 0.00 ATOM 2137HE ARG S 722 17.341 61.000 47.116 1.00 0.00 ATOM 2138 1HH1 ARG S 722 16.815 59.374 50.088 1.00 0.00 ATOM 21392HH1 ARG S 722 16.190 60.475 48.935 1.00 0.00 ATOM 2140 1HH2 ARG S 722 18.567 57.944 49.404 1.00 0.00 ATOM 21412HH2 ARG S 722 19.342 58.125 47.887 1.00 0.00 ATOM 2142 N ASP S 723 20.836 64.653 44.826 1.00 0.00 ATOM 2143CA ASP S 723 21.174 66.025 44.529 1.00 0.00 ATOM 2144 C ASP S 723 21.957 66.255 43.257 1.00 0.00 ATOM 21450 ASP S 723 21.368 66.398 42.182 1.00 0.00 ATOM 2146CB ASP S 723 21.786 66.617 45.788 1.00 0.00 ATOM 2147 CG ASP S 723 21.603 68.105 45.856 1.00 0.00 ATOM 2148 OD1 ASP S 723 20.668 68.618 45.246 1.00 0.00 ATOM 21490D2 ASP S 723 22.395 68.740 46.538 1.00 0.00 ATOM 2150H ASP S 723 21.125 - 64.268 45.702 1.00 0.00 ATOM 2151 N ASN S 724 23.285 66.304 43.384 1.00 0.00 ATOM 2152 CA ASN S 724 23.954 66.403 42.100 1.00 0.00 ATOM 2153 C ASN S 724 24.037 65.104 41.344 1.00 0.00 ATOM 2154 O ASN S 724 24.516 64.063 41.789 1.00 0.00 ATOM 2155 CB ASN S 724 25.285 67.146 42.147 1.00 0.00 ATOM 2156 CG ASN S 724 25.626 67.602 40.736 1.00 0.00 ATOM 2157 OD1 ASN S 724 26.754 67.470 40.276 1.00 0.00 ATOM 2158ND2 ASN S 724 24.603 68.097 40.032 1.00 0.00 ATOM 2159H ASN S 724 23.735 66.338 44.264 1.00 0.00 ATOM 21601HD2 ASN S 724 24.676 68.413 39.085 1.00 0.00 ATOM 2161 2HD2 ASN S 724 23.707 68.287 40.452 1.00 0.00 ATOM 2162 N LYS S 725 23.489 65.226 , 40.148 1.00 0.00 ATOM 2163 CA LYS S 725 23.140 64.043 39.392 1.00 0.00 ATOM 2164 C LYS S 725 24.240 63.485 38.508 1.00 0.00 ATOM 21650 LYS S 725 24.077 63.405 37.291 1.00 0.00 ATOM 2166 CB LYS S 725 21.867 64.407 38.631 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2167 LYS S 725 21.082 63.256 38.028 1.00 0.00 CG

ATOM 2168 LYS S 725 19.780 63.741 37.413 1.00 0.00 CD

ATOM 2169 LYS S 725 18.980 62.591 36.843 1. 0.00 CE OD

ATOM 2170 LYS S 725 17.555 62.902 36-.913 1.00 0.00 NZ

ATOM 2171 LYS S 725 23.158 66.115 39.835 1. 0.00 ATOM 2172 LYS S 725 17.066 62.431 36.129 1.00 0.00 ATOM 2173 ~LYS S 725 17.095 62.675 37.811 1.00 0.00 ATOM 2174 LYS S 725 17.413 63.901 36.693 1.00 0.00 ATOM 2175 LEU S 726 25.352 63.066 39.126 1.00 0.00 N

ATOM 2176 LEU S 726 26.448 62.665 38.234 1.00 0.00 CA

ATOM 2177 LEU S 726 26.383 61.267 37.633 1.00 0.00 C

ATOM 21780 LEU S 726 26.087 60.251 38.285 1.00 0.00 ATOM 2179 LEU S 726 27.833 62.909 38.853 1.00 0.00 CB

ATOM 2180CG LEU S 726 28.126 64.347 39.298 1.00 0.00 ATOM 2181 LEU S 726 27.684 64.597 40.730 1.00 0.00 ATOM 2182 LEU S 726 29.596 64.728 39.148 1.00 0.00 ATOM 2183 LEU S 726 25.506 63.299 40.089 1.00 0.00 H

ATOM 2184 HIS S 727 26.706 61.245 36.313 1.00 O.DO
N

ATOM 2185 HIS S 727 26.942 59.974 35.614 1.00 0.00 CA

ATOM 2186 HIS S 727 27.794 60.102 34.345 1.00 0.00 C

ATOM 21870 HIS S 727 28.917 60.608 34.393 1.00 0.00 ATOM 2188 HIS S 727 25.618 59.215 35.423 1.00 0.00 CB

ATOM 2189 HIS S 727 25.770 57.768 34.994 1.00 0.00 CG

ATOM 2190ND1 HIS S 727 24.854 57.157 34.226 1.00 0.00 ATOM 2191 HIS S 727 26.786 56.850 35.278 1.00 0.00 ATOM 2192CE1 HIS S 727 25.257 55.870 34.012 1.00 0.00 ATOM 2193 HIS S 727 26.452 55.688 34.658 1.00 0.00 ATOM 2194 HIS S 727 26.685 62.119 35.823 1.00 0.00 H

ATOM 2195 HIS S 727 24.008 57.573 33.939 1.00 0.00 ATOM 2196 ALA S 728 27.310 59.561 33.216 1.00 0.00 N

ATOM 2197 ALA S 728 28.296 59.354 32.163 1.00 0.00 CA

ATOM 2198 ALA ~S 728 27.789 59.711 30.791 1.00 0.00 C

ATOM 21990 ALA S 728 27.889 58.912 29.856 1.00 0.00 ATOM 2200 ALA S 728 28.792 57.903 32.166 1.00 0.00 CB

ATOM 2201 ALA S 728 26.335 59.410 33.039 1.00 0.00 H

ATOM 2202 PHE S 729 27.276 60.956 30.723 1.00 0.00 N

ATOM 2203 PHE S 729 26.605 61.427 29.511 1.00 0.00 CA

ATOM 2204 PHE S 729 25.334 60.668 29.141 1.00 0.00 C

ATOM 22050 PHE S 729 24.937 59.661 29.732 1.00 0.00 ATOM 2206 PHE S 729 27.572 61.497 28.309 1.00 0.00 CB

ATOM 2207 PHE S 729 28.286 62.828 28.191 1.00 0.00 CG

ATOM 2208 PHE S 729 28.365 63.427 26.915 1.00 0.00 ATOM 2209 PHE S 729 28.868 63.449 29.320 1. 0.00 nTOM 2210 PHE S 729 29.035 64.656 26.761 1.00 0.00 ATOM 2211 PHE S 729 29.533 64.681 29.167 1.00 0.00 ATOM 2212 PHE S 729 29.612 65.272 27.890 1.00 0.00 CZ

ATOM 2213 PHE S 729 27.312 61.512 31.555 1.00 0.00 H

ATOM 2214N ILE S 730 24.714 61.215 28.090 1.00 0.00 ATOM 2215 ILE S 730 23.459 60.778 27.476 1.00 0.00 CA

ATOM 2216 ILE S 730 22.319 60.313 28.392 1.00 0.00 C

ATOM 22170 ILE S 730 21.387 61.081 28.633 1.00 0.00 ATOM 2218 ILE S 730 23.742 59.960 26.195 1.00 0.00 CB

ATOM 2219CG1 ILE S 730 22.509 59.797 25.311 1.00 0.00 ATOM 2220 ILE S 730 24.440 58.616 26.444 1.00 0.00 ATOM 2221 ILE S 730 22.870 59.438 23.867 1.00 0.00 ATOM 2222 ILE S 730 25.109 62.087 27.799 1.00 0.00 H

ATOM 2223 TRP S 731 22.452 59.093 28.969 1.00 0.00 N

ATOM 2224 TRP S 731 21.679 58.715 30.170 1.00 0.00 CA

ATOM 2225 TRP S 731 21.472 59.848 31.167 1.00 0.00 C

ATOM 2226 TRP S 731 20.436 59.999 31.815 1.00 0.00 O

ATOM 2227 TRP S 731 22.392 57.595 30.937 1.00 0.00 CB

ATOM 2228CG TRP S 731 22.257 56.250 30.267 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2229CD1TRP S 731 21.196 55.351 30.436 1.00 0.00 ATOM 2230CD2TRP S 731 23.176 55.589 29.369 1.00 0.00 ATOM 2231 TRP S 731 21.394 54.211 29.721 1.00 0.00 ATOM 2232 TRP S 731 22.605 54.312 29.045 1.00 0.00 ATOM 2233 TRP S 731 24.423 55.-962-28.822 1.00 0.00 ATOM 2234 TRP S 731 23.292 53.436 28.178 1.00 0.00 CZ2_ ATOM 2235 -TRP S 731 25.100 55.075 27.958 1.00 0.00 ATOM 2236 TRP S 731 24.537 53.821 27.639 1.00 0.00 ATOM 2237H TRP S 731 23.222 58.826 28.684 1.00 0.00 ATOM 2238HE1TRP S 731 20.756 53.467 29.682 1.00 0.00 ATOM 2239N ASP S 732 22.539 60.649 31.236 1.00 0.00 ATOM 2240CA ASP S 732 22.588 61.774 32.145 1.00 0.00 ATOM 2241 ASP S 732 22.868 63.135 31.538 1.00 0.00 C

ATOM 22420 ASP S 732 22.570 64.180 32.121 1.00 0.00 ATOM 2243 ASP S 732 23.516 61.398 33.283 1.00 0.00 CB

ATOM 2244 ASP S 732 22.646 60.810 34.365 1.00 0.00 CG

ATOM 2245 ASP S 732 22.000 61.572 35.054 1.00 0.00 ATOM 2246 ASP S 732 22.574 59.599 34.540 1.00 0.00 ATOM 2247H ASP S 732 23.353 60.362 30.743 1.00 0.00 ATOM 2248 SER S 733 23.377 63.105 30.286 1.00 0.00 N

ATOM 2249CA SER S 733 23.289 64.350 29.518 1.00 0.00 ATOM 2250C SER S 733 22.223 64.364 28.418 1.00 0.00 ATOM 22510 SER S 733 21.088 64.732 28.688 1.00 0.00 ATOM 2252 SER S 733 24.665 64.830 29.046 1.00 0.00 CB

ATOM 2253 SER S 733 25.227 63.934 28.072 1.00 0.00 OG

ATOM 2254H SER S 733 23.647 62.253 29.851 1.00 0.00 ATOM 2255HG SER S 733 25.868 64.482 27.614 1.00 0.00 ATOM 2256 ALA S 734 22.573 63.960 27.180 1.00 0.00 N

ATOM 2257CA ALA S 734 21.705 64.195 26.015 1.00 0.00 ATOM 2258 ALA S 734 20.192 63.958 26.096 1.00 0.00 C

ATOM 22590 ALA S 734 19.412 64.716 25.528 1.00 0.00 ATOM 2260CB ALA S 734 22.255 63.479 24.781 1.00 0.00 ATOM 2261H ALA S 734 23.507 63.640 27.020 1.00 0.00 ATOM 2262 VAL S 735 19.774 62.927 26.850 1.00 0.00 N

ATOM 2263 VAL S 735 18.323 62.708 26.910 1.00 0.00 CA

ATOM 2264 VAL S 735 17.755 62.999 28.297 1.00 0.00 C

ATOM 22650 VAL S 735 17.044 62.227 28.932 1.00 0.00 ATOM 2266 VAL S 735 17.950 61.298 26.409 1.00 0.00 CB

ATOM 2267CG1VAL S 735 16.453 61.184 26.099 1.00 0.00 ATOM 2268 VAL S 735 18.764 60.900 25.173 1.00 0.00 ATOM 2269H VAL S 735 20.415 62.332 27.337 1.00 0.00 ATOM 2270N LEU S 736 18.152 64.168 28.806 1.00 0.00 ATOM 2271 LEU S 736 17.820 64.394 30.211 1.00 0.00 CA

ATOM 2272 LEU S 736 16.861 65.546 30.445 1.00 0.00 C

ATOM 22730 LEU S 736 16.921 66.565 29.768 1.00 0.00 ATOM 2274 LEU S 736 19.104 64.543 31.033 1.00 0.00 CB

ATOM 2275CG LEU S 736 18.878 64.625 32.540 1.00 0.00 ATOM 2276 LEU S 736 19.642 63.548 33.297 1.00 0.00 ATOM 2277 LEU S 736 19.082 66.043 33.075 1.00 0.00 ATOM 2278H LEU S 736 18.653 64.868 28.291 1.00 0.00 ATOM 2279N GLU S 737 15.990 65.285 31.439 1.00 0.00 ATOM 2280CA GLU S 737 15.025 66.217 32.050 1.00 0.00 ATOM 2281C GLU S 737 15.095 67.728 31.746 1.00 0.00 ATOM 22820 GLU S 737 15.436 68.565 32.586 1.00 0.00 ATOM 2283 GLU S 737 14.978 65.958 33.571 1.00 0.00 CB

ATOM 2284CG GLU S 737 14.798 64.485 34.013 1.00 0.00 ATOM 2285CD GLU S 737 16.092 63.850 34.528 1.00 0.00 ATOM 22860E1GLU S 737 16.319 62.658 34.351 1.00 0.00 ATOM 22870E2GLU S 737 16.902 64.522 35.144 1.00 0.00 ATOM 2288H GLU S 737 16.007 64.323 31.713 1.00 0.00 ATOM 2289N PHE S 738 14.685 68.038 30.502 1.00 0.00 ATOM 2290 PHE S 738 14.931 69.323 29.827 1.00 0.00 CA

SUBSTITUTE SHEET (RULE 26) ATOM 2291 PHE S 738 14.658 70.671 30.492 1.00 0.00 C

ATOM 22920 PHE S 738 15.576 71.472 30.642 1.00 0.00 ATOM 2293 PHE S 738 14.359 69.280 28.404 1.00 0.00 CB

ATOM 2294 PHE S 738 15.061 68.193 27..616 1.00 0.00 CG

ATOM 2295 PHE S 738 16.364 68.-426-27.122 1.00 0.00 CDl ATOM 2296 PHE S 738 14.412 66.956 27.403 1.00 0.00 ATOM _ -PHE S 738 17.035 67.402 29.425 1.00 0.00 ATOM 2298 PHE S 738 15.082 65.931 26.708 1.00 0.00 ATOM 2299 PHE S 738 16.391 66.162 26.233 1.00 0.00 CZ

ATOM 2300 PHE S 738 14.489 67.237 29.943 1.00 0.00 H

ATOM 2301 GLU S 739 13.409 70.929 30.919 1.00 0.00 N

ATOM 2302 GLU S 739 13.105 72.315 31.315 1.00 0.00 CA

ATOM 2303 GLU S 739 13.507 72.769 32.727 1.00 0.00 C

ATOM 2304 GLU S 739 12.778 73.447 33.451 1.00 0.00 O

ATOM 2305 GLU S 739 11.632 72.615 31.015 1.00 0.00 CB

ATOM 2306 GLU S 739 11.352 74.077 30.639 1.00 0.00 CG

ATOM 2307 GLU S 739 12.054 74.443 29.342 1.00 0.00 CD

ATOM 23080E1 GLU S 739 12.862 75.367 29.344 1.00 0.00 ATOM 2309 GLU S 739 11.786 73.813 28.324 1.00 0.00 ATOM 2310H GLU S 739 12.742 70.188 30.882 1.00 0.00 ATOM 2311 ALA S 740 14.721 72.335 33.115 1.00 0.00 N

ATOM 2312 ALA S 740 15.225 72.574 34.469 1.00 0.00 CA

ATOM 2313 ALA S 740 16.226 73.720 34.567 1.00 0.00 C

ATOM 2314 ALA S 740 17.359 73.592 35.027 1.00 0.00 O

ATOM 2315CB ALA S 740 15.848 71.290 35.019 1.00 0.00 ATOM 2316 ALA S 740 15.340 71.898 32.457 1.00 0.00 H

ATOM 2317 SER S 741 15.701 74.874 34.083 1.00 0.00 N

ATOM 2318 SER S 741 16.420 76.150 34.200 1.00 0.00 CA

ATOM 2319C SER S 741 17.805 76.185 33.584 1.00 0.00 ATOM 2320 SER S 741 18.738 76.799 34.090 1.00 0.00 O

ATOM 2321 SER S 741 16.434 76.578 35.672 1.00 0.00 CB

ATOM 2322 SER S 741 15.121 76.306 36.200 1.00 0.00 OG

ATOM 2323 SER S 741 14.755 74.875 33.757 1.00 0.00 H

ATOM 2324 SER S 741 15.235 75.944 37.081 1.00 0.00 HG

ATOM 2325 GLN S 742 17.927 75.462 32.466 1.00 0.00 N

ATOM 2326 GLN S 742 19.275 75.052 32.100 1.00 0.00 CA

ATOM 2327C GLN S 742 20.252 76.136 31.715 1.00 0.00 ATOM 23280 GLN S 742 19.898 77.163 31.142 1.00 0.00 ATOM 2329CB GLN S 742 19.237 73.929 31.070 1.00 0.00 ATOM 2330 GLN S 742 18.377 72.812 31.646 1.00 0.00 CG

ATOM 2331 GLN S 742 18.506 71.542 30.848 1.00 0.00 CD

ATOM 23320E1 GLN S 742 18.661 71.506 29.627 1.00 0.00 ATOM 2333 GLN S 742 18.338 70.451 31.590 1.00 0.00 ATOM 2334 GLN S 742 17.121 75.120 31.982 1.00 0.00 H

A'fOM2335 GLN S 742 18.145 69.540 31.229 1.00 0.00 ATOM 23362HE2GLN S 742 18.498 .70.54932.852 1.00 0.00 ATOM 2337 LYS S 743 21.485 75.793 32.080 1.00 0.00 N

ATOM 2338CA LYS S 743 22.757 76.318 31.600 1.00 0.00 ATOM 2339C LYS S 743 23.796 75.561 32.396 1.00 0.00 ATOM 2340 LYS S 743 23.599 75.179 33.548 1.00 0.00 ATOM 2341 LYS S 743 22.917 77.837 31.749 1.00 0.00 CB

ATOM 2342CG LYS S 743 24.228 78.468 31.236 1.00 0.00 ATOM 2343 LYS S 743 24.480 78.281 29.735 1.00 0.00 CD

ATOM 2344 LYS S 743 25.589 79.180 29.166 1.00 0.00 CE

ATOM 2345NZ LYS S 743 26.933 78.806 29.622 1.00 0.00 ATOM 2346 LYS S 743 21.593 74.989 32.671 1.00 0.00 H

ATOM 23471HZ LYS S 743 27.950 79.524 29.441 1.00 0.00 ATOM 23482HZ LYS S 743 27.019 78.620 30.647 1.00 0.00 ATOM 23493HZ LYS S 743 27.287 77.913 29.209 1.00 0.00 ATOM 2350 CYS S 744 24.893 75.291 31.708 1.00 0.00 N

ATOM 2351 CYS S 744 25.741 74.270 32.278 1.00 0.00 CA

ATOM 2352 CYS S 744 27.108 74.347 31.678 1.00 0.00 C

SUBSTITUTE SHEET (RULE 26) ATOM 2353 CYS S 744 27.313 73.925 30.543 1.00 0.00 O

ATOM 2354 CYS S 744 25.123 72.919 31.958 1.00 0.00 CB

ATOM 2355 CYS S 744 25.853 71.516 32.822 1.00 0.00 SG

ATOM 2356 CYS S 744 25.044 75.584 30:767 1.00 0.00 H

ATOM 2357 ASP S 745 28.027 74.846 32.499 1.00 0.00 N -ATOM 2358 ASP S 745 29.419 74.922 32.056 1.00 0.00 CA
' ATOM 2359 ~1SPS 745 30.328 74.163 33.004 1.00 0.00 C

ATOM 2360 ASP S 745 31.554 74.299 33.044 1.00 0.00 O

ATOM 2361 ASP S 745 29.832 76.403 31.957 1.00 0.00 CB

ATOM 2362 ASP S 745 28.733 77.234 31.302 1.00 0.00 CG

ATOM 2363 ASP S 745 28.127 76.790 30.340 1.00 0.00 ATOM 2364 ASP S 745 28.432 78.330 31.750 1.00 0.00 ATOM 2365 ASP S 745 27.710 75.365 33.291 1.00 0.00 H

ATOM 2366 LEU S 746 29.613 73.428 33.863 1.00 0.00 N

ATOM 2367 LEU S 746 30.253 72.993 35.090 1.00 0.00 CA

ATOM 2368 LEU S 746 30.422 71.502 35.146 1.00 0.00 C

ATOM 2369 LEU S 746 30.692 70.916 36.193 1.00 0.00 O

ATOM 2370 LEU S 746 29.473 73.490 36.307 1.00 0.00 CB

ATOM 2371 LEU S 746 29.418 75.013 36.441 1.00 0.00 CG

ATOM 2372 LEU S 746 28.493 75.435 37.582 1.00 0.00 CDI

ATOM 2373 LEU S 746 30.811 75.634 36.575 1.00 0.00 ATOM 2374 LEU S 746 28.745 73.068 33.536 1.00 0.00 H

ATOM 2375 VAL S 747 30.267 70.379 33.978 1.00 0.00 N

ATOM 2376 VAL S 747 30.552 69.449 34.002 1.00 0.00 CA

ATOM 2377 VAL S 747 32.045 69.217 34.123 1.00 0.00 C

ATOM 2378 VAL S 747 32.872 69.979 33.620 1.00 0.00 O

ATOM 2379 VAL S 747 29.863 68.834 32.791 1.00 0.00 CB

ATOM 2380 VAL S 747 30.264 67.426 32.388 1.00 0.00 ATOM 2381 VAL S 747 28.384 68.945 33.102 1.00 0.00 ATOM 2382 VAL S 747 30.008 71.342 33.127 1.00 0.00 H

ATOM 2383 THR S 748 32.363 68.224 34.950 1.00 0.00 N

ATOM 2384 THR ,S 748 33.537 68.394 35.792 1.00 0.00 CA

ATOM 2385 THR S 748 34.774 67.666 35.345 1.00 0.00 C

ATOM 2386 THR S 748 34.777 66.4,4135.229 1.00 0.00 O

ATOM 2387 THR S 748 33.161 68.115 37.262 1.00 0.00 CB

ATOM 2388061 THR S 748 34.268 68.335 38.148 1.00 0.00 ATOM 2389 THR S 748 32.577 66.723 37.499 1.00 0.00 ATOM 2390H THR S 748 31.719 67.470 35.044 1.00 0.00 ATOM 2391 THR S 748 34.390 69.284 38.057 1.00 0.00 ATOM 2392 THR S 749 35.818 68.483 35.106 1.00 0.00 N

ATOM 2393 THR S 749 37.101 67.954 34.655 1.00 0.00 CA

ATOM 2394 THR S 749 37.918 67.342 35.801 1.00 0.00 C

ATOM 2395 THR S 749 37.476 67.354 36.957 1.00 0.00 O

ATOM 2396 THR S 749 37.854 69.053 33.878 1.00 0.00 CB

ATOM 2397061 THR S 749 36.980 70.125 33.452 1.00 0.00 ATOM 2398 THR S 749 38.570 68.468 32.656 1.00 0.00 ATOM 2399H THR S 749 35.736 69.466 35.286 1.00 0.00 ATOM 2400 THR S 749 36.185 69.668 33.179 1.00 0.00 ATOM 2401 GLY S 750 39.092 66.779 35.468 1.00 0.00 N

ATOM 2402 GLY S 750 39.764 65.916 36.436 1.00 0.00 CA

ATOM 2403 GLY S 750 39.614 64.450 36.062 1.00 0.00 C

ATOM 2404 GLY S 750 39.134 63.604 36.821 1.00 0.00 O

ATOM 2405 GLY S 750 39.434 66.847 34.535 1.00 0.00 H

ATOM 2406 GLU S 751 40.016 64.189 34.813 1.00 0.00 N

ATOM 2407 GLU S 751 39.911 62.844 34.238 1.00 0.00 CA

ATOM 2408 GLU S 751 41.022 61.924 34.708 1.00 0.00 C

ATOM 24090 GLU S 751 42.167 62.362 34.835 1.00 0.00 ATOM 2410 GLU S 751 39.398 62.898 32.702 1.00 0.00 CB

ATOM 2411 GLU S 751 39.032 64.016 32.106 1.00 0.00 CG

ATOM 2412 GLU S 751 38.039 63.477 31.088 1.00 0.00 CD

ATOM 2413 GLU S 751 38.053 63.915 29.942 1.00 0.00 ATOM 2414 GLU S 751 37.216 62.640 31.448 i.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2415H GLU S 751 40.472 64.963 34.383 1.00 0.00 ATOM 2416 LEU S 752 40.595 60.668 34.979 1.00 0.00 N

ATOM 2417 LEU S 752 41.362 59.517 35.487 1. 0.00 CA OD

ATOM 2418C LEU S 752 40.418 58.601 36.245 1.00 0.00 ATOM 24190 LEU S 752 40.122 57.471 35.856 1.00 0.00 ATOM 2420 LEU S 752 42.547 59.875 36.402 1.00 0.00 CB _ ATOM 2421CG LEU S 752 43.405 58.674 36.819 1.00 0.00 ATOM 2422 LEU S 752 44.032 57.962 35.618 1.00 0.00 ATOM 2423 LEU S 752 44.447 59.064 37.868 1.00 0.00 ATOM 2424 LEU S 752 39.660 60.533 34.649 1.00 0.00 H

ATOM 2425N PHE S 753 39.893 59.202 37.325 1.00 0.00 ATOM 2426 PHE S 753 38.810 58.542 38.040 1.00 0.00 CA

ATOM 2427 PHE S 753 37.536 58.742 37.255 1.00 0.00 C

ATOM 2428 PHE S 753 36.826 57.797 36.909 1.00 0.00 O

ATOM 2429 PHE S 753 38.671 59.086 39.457 1.00 0.00 CB

ATOM 2430 PHE S 753 39.850 58.694 40,315 1.00 0.00 CG

ATOM 2431 PHE S 753 40.953 59.569 40.427 1.00 0.00 ATOM 2432 PHE S 753 39.822 57.460 41.001 1.00 0.00 ATOM 2433 PHE S 753 42.044 59.205 41.239 1.00 0.00 ATOM 2434 PHE S 753 40.912 57.096 41.815 1.00 0.00 ATOM 2435 PHE S 753 42.012 57.973 41.926 1.00 0.00 CZ

ATOM 2436 PHE S 753 40.125 60.160 37.498 1.00 0.00 H

ATOM 2437 PHE S 754 37.356 60.016 36.866 1.00 0.00 N

ATOM 2438 PHE S 754 36.417 60.329 35.786 1.00 0.00 CA

ATOM 2439 PHE S 754 36.807 59.534 34.565 1.00 0.00 C

ATOM 2440 PHE S 754 37.926 59.645 34.069 1.00 0.00 O

ATOM 2491 PHE S 754 36.349 61.839 35.517 1.00 0.00 CB

ATOM 2442 PHE S 754 35.823 62.627 36.709 1.00 0.00 CG

ATOM 2443 PHE S 754 34.989 62.027 37.684 1.00 0.00 ATOM 2444 PHE S 754 36.176 63.990 36.814 1.00 0.00 ATOM 2445 PHE S 754 34.511 62.791 38.766 1.00 0.00 ATOM 2446 PHE S 754 35.706 64.756 37.897 1.00 0.00 ATOM 2447 PHE S 754 34.878 64.148 38.863 1.00 0.00 CZ

ATOM 2448 PHE S 754 37.791 60.760 37.374 1.00 0.00 H

ATOM 2449 ARG S 755 35.904 58.582 34.251 1.00 0.00 N

ATOM 2450 ARG S 755 36.334 57.466 33.396 1.00 0.00 CA

ATOM 2451C ARG S 755 36.448 57.983 31.988 1.00 0.00 ATOM 24520 ARG S 755 35.449 58.349 31.378 1.00 0.00 ATOM 2453 ARG S 755 35.342 56.301 33.442 1.00 0.00 CB

ATOM 2454 ARG S 755 35.798 55.038 34.181 1.00 0.00 CG

ATOM 2455 ARG S 755 35.726 55.093 35.705 1.00 0.00 CD

ATOM 2456 ARG S 755 36.413 53.954 36.312 1.00 0.00 NE

ATOM 2457CZ ARG S 755 37.636 54.133 36.866 1.00 0.00 ATOM 2458NH1 ARG S 755 38.320 53.097 37.321 1.00 0.00 ATOM 2459NH2 ARG S 755 38.174 55.348 36.931 1.00 0.00 ATOM 2460 ARG S 755 34.954 58.860 34.414 1.00 0.00 H

ATOM 2461 ARG S 755 36.081 53.010 36.212 1.00 0.00 HE

ATOM 24621HH1ARG S 755 39.248 53.208 37.664 1.00 0.00 ATOM 24632HH1ARG S 755 37.968 52.156 37.330 1.00 0.00 ATOM 2464 ARG S 755 39.105 55.457 37.299 1.00 0.00 ATOM 2465 ARG S 755 37.674 56.159 36.621 1.00 0.00 ATOM 2466N SER S 756 37.700 58.140 31.559 1.00 0.00 ATOM 2467 SER S 756 37.931 59.358 30.777 1.00 0.00 CA

ATOM 2468 SER S 756 37.310 59.492 29.394 1.00 0.00 C

ATOM 2469 SER S 756 37.343 58.578 28.572 1.00 0.00 O

ATOM 2470 SER S 756 39.434 59.612 30.748 1.00 0.00 CB

ATOM 2471 SER S 756 39.994 59.112 31.982 1.00 0.00 OG

ATOM 2472 SER S 756 38.409 57.785 32.169 1.00 0.00 H

ATOM 2473 SER S 756 39.389 59.351 32.693 1.00 0.00 HG

ATOM 2474 GLY S 757 36.791 60.707 29.134 1.00 0.00 N

ATOM 2475 GLY S 757 36.362 61.073 27.778 1.00 0.00 CA

ATOM 2476C GLY S 757 35.402 60.114 27.087 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2477 O GLY S 757 34.470 59.570 27.684 1.00 0.00 ATOM 2478 H GLY S 757 36.746 61.373 29.885 1.00 0.00 ATOM 2479 N PHE S 758 35.699 59.921 25.797 1.00 0.00 ATOM 2480 CA PHE S 758 35.162 58.836 24:976 1.00 0.00 ATOM 2481 C PHE S 758 36.245 58.413- 24.004 1.00 0.00 ATOM 2482 O PHE S 758 36.755 59.218 23.222 1.00 0.00 ATOM 2483 CB ' PHE S 758 33.917 59.260 24.184 1.00 0.00 ATOM 2484 CG PHE S 758 32.719 59.440 25.088 1.00 0.00 ATOM 2485 CD1 PHE S 758 32.104 58.305 25.663 1.00 0.00 ATOM 2486 CD2 PHE S 758 32.233 60.741 25.339 1.00 0.00 ATOM 2487 CEl PHE S 758 30.991 58.474 26.507 1.00 0.00 ATOM 2488 CE2 PHE S 758 31.118 60.912 26.183 1.00 0.00 ATOM 2489 CZ PHE S 758 30.511 59.776 26.760 1.00 0.00 ATOM 2490 H PHE S 758 36.369 60.512 25.343 1.00 0.00 ATOM 2491 N GLY S 759 36.632 57.123 24.086 1.00 0.00 ATOM 2492 CA GLY S 759 37.848 56.759 23.344 1.00 0.00 ATOM 2493 C GLY S 759 37.819 55.454 22.561 1.00 0.00 ATOM 2494 O GLY S 759 37.263 54.455 23.004 1.00 0.00 ATOM 2495H GLY S 759 36.167 56.514 24.727 1.00 0.00 ATOM 2496 N ILE S 760 38.454 55.520 21.368 1.00 0.00 ATOM 2497 CA ILE S 760 38.690 54.387 20.447 1.00 0.00 ATOM 2498C ILE S 760 39.931 53.621 20.906 1.00 0.00 ATOM 24990 ILE S 760 40.691 54.186 21.678 1.00 0.00 ATOM 2500 CB ILE S 760 38.893 54.952 19.016 1.00 0.00 ATOM 2501 CG1 ILE S 760 39.051 53.901 17.914 1.00 0.00 ATOM 2502 CG2 ILE S 760 40.101 55.889 18.959 1.00 0.00 ATOM 2503 CD1 ILE S 760 39.332 54.482 16.527 1.00 0.00 ATOM 2504 H ILE S 760 38.926 56.386 21.211 1.00 0.00 ATOM 2505 N GLY S 761 40.151 52.381 20.440 1.00 0.00 ATOM 2506 CA GLY S 761 41.475 51.816 20.740 1.00 0.00 ATOM 2507 C GLY S 761 41.588 50.302 20.671 1.00 0.00 ATOM 25080 GLY S 761 40.758 49.558 21.189 1.00 0.00 ATOM 2509 H GLY S 761 39.492 51.886 19.866 1.00 0.00 ATOM 2510N MET 5 762 42.647 49.858 19.987 1.00 0.00 ATOM 2511 CA MET S 762 42.815 48.433 19.682 1.00 0.00 ATOM 2512 C MET S 762 43.591 47.585 20.685 1.00 0.00 ATOM 2513 O MET S 762 44.808 47.439 20.601 1.00 0.00 ATOM 2514 CB MET S 762 43.424 48.314 18.276 1.00 0.00 ATOM 2515CG MET S 762 43.706 46.897 17.767 1.00 0.00 ATOM 2516 SD MET S 762 44.297 46.876 16.072 1.00 0.00 ATOM 2517 CE MET S 762 44.615 45.110 15.939 1.00 0.00 ATOM 2518 H MET S 762 43.303 50.556 19.701 1.00 0.00 ATOM 2519 N ARG S 763 42.836 46.950 21.594 1.00 0.00 ATOM 2520CA ARG S 763 43.374 45.926 22.506 1.00 0.00 ATOM 2521 C ARG S 763 44.472 46.443 23.443 1.00 0.00 ATOM 2522 O ARG S 763 44.373 47.646 23.672 1.00 0.00 ATOM 2523 CB ARG S 763 43.798 44.675 21.709 1.00 0.00 ATOM 2524 CG ARG S 763 43.324 43.362 22.330 1.00 O.OD
ATOM 2525 CD ARG S 763 44.026 42.090 21.812 1.00 0.00 ATOM 2526 NE ARG S 763 44.037 41.910 20.353 1.00 0.00 ATOM 2527 CZ ARG S 763 42.925 41.707 19.598 1.00 0.00 ATOM 2528NH1 ARG S 763 41.708 41.767 20.124 1.00 0.00 ATOM 2529NH2 ARG S 763 43.054 41.455 18.301 1.00 0.00 ATOM 2530H ARG S 763 41.855 47.080 21.469 1.00 0.00 ATOM 2531 HE ARG S 763 44.972 41.889 19.917 1.00 0.00 ATOM 2532 1HH1 ARG S 763 40.867 41.715 19.576 1.00 0.00 ATOM 25332HH1 ARG S 763 41.593 41.859 21.116 1.00 0.00 ATOM 2534 1HH2 ARG S 763 42.263 41.528 17.681 1.00 0.00 ATOM 25352HH2 ARG S 763 43.927 41.204 17.880 1.00 0.00 ATOM 2536N LYS S 764 45.289 45.526 23.983 1.00 0.00 ATOM 2537 CA LYS S 764 46.654 45.953 24.286 1.00 0.00 ATOM 2538C LYS S 764 47.540 45.593 23.105 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 25390 LYS S 764 48.636 45.048 23.214 1.00 0.00 ATOM 2540 LYS S 764 47.183 45.292 25.564 1.00 0.00 CB

ATOM 2541 LYS S 764 48.079 46.194 26.428 1. 0.00 CG OD

ATOM 2542 LYS S 764 47.242 47.252 27.147 1.00 0.00 CD

ATOM 2543 LYS S 764 47.946 48.166 28.153 1.00 0.00 CE

ATOM 2544 LYS S 764 46.892 48.864 28.886 1.00 0.00 NZ .

ATOM 2545 ~LYS S 764 45.095 44.549 23.913 1.00 0.00 H

ATOM 2546 LYS S 764 46.079 49.138 28.306 1.00 0.00 ATOM 2547 LY5 S 764 47.204 49.705 29.407 1.00 0.00 ATOM 25483HZ LYS S 764 46.510 48.238 29.612 1.00 0.00 ATOM 2549 ASP S 765 46.986 45.860 21.907 1.00 0.00 N

ATOM 2550CA ASP S 765 47.820 45.464 20.780 1.00 0.00 ATOM 2551C ASP S 765 48.819 46.569 20.561 1.00 0.00 ATOM 2552 ASP S 765 48.791 47.602 21.235 1.00 0.00 O

ATOM 2553 ASP S 765 47.003 45.101 19.528 1.00 0.00 CB

ATOM 2554 ASP S 765 47.728 44.023 18.727 1.00 0.00 CG

ATOM 2555 ASP S 765 47.448 42.839 18.920 1.00 0.00 ATOM 2556 ASP S 765 48.583 44.359 17.909 1.00 0.00 ATOM 2557H ASP S 765 46.272 46.553 21.783 1.00 0.00 ATOM 2558 SER S 766 49.741 46.304 19.661 1.00 0.00 N

ATOM 2559 SER S 766 50.706 47.356 19.453 1.00 0.00 CA

ATOM 2560 SER S 766 50.868 47.795 18.012 1.00 0.00 C

ATOM 2561 SER S 766 50.593 48.956 17.731 1.00 0.00 O

ATOM 2562 SER S 766 51.992 47.073 20.238 1.00 0.00 CB

ATOM 2563 SER S 766 52.307 45.674 20.160 1.00 0.00 OG

ATOM 2564 SER S 766 49.713 45.456 19.134 1.00 0.00 H

ATOM 2565 SER S 766 51.756 45.255 20.824 1.00 0.00 HG

ATOM 2566 PRO S 767 51.280 46.898 17.065 1.00 0.00 N

ATOM 2567 PRO S 767 51.536 47.418 15.720 1.00 0.00 CA

ATOM 2568 PRO S 767 50.315 47.959 14.987 1.00 0.00 C

ATOM 25690 PRO S 767 50.463 48.601 13.951 1.00 0.00 ATOM 2570 PRO S 767 52.197 46.232 15.010 1.00 0.00 CB

ATOM 2571 PRO S 767 51.622 44.998 15.697 1.00 0.00 CG

ATOM 2572 PRO S 767 51.527 45,457 17.145 1.00 0.00 CD

ATOM 2573 TRP S 768 49.127 47.687 15.545 1.00 0.00 N

ATOM 2574 TRP S 768 48.009 48.426 14.989 1.00 0.00 CA

ATOM 2575 TRP S 768 47.272 49.326 15.957 1.00 0.00 C

ATOM 2576 TRP S 768 46.673 50.315 15.550 1.00 0.00 O

ATOM 2577 TRP S 768 47.075 47.528 14.192 1.00 0.00 CB

ATOM 2578CG TRP S 768 46.448 48.338 13.081 1.00 0.00 ATOM 2579 TRP S 768 45.101 48.711 12.974 1.00 0.00 ATOM 2580 TRP S 768 47.080 48.853 11.887 1.00 0.00 ATOM 2581 TRP S 768 44.871 49.393 11.820 1.00 0.00 ATOM 2582 TRP S 768 46.062 49.507 11.116 1.00 0.00 ATOM 2583 TRP S 768 48.405 48.805 11.400 1.00 0.00 ATOM 2584 TRP S 768 46.385 '50.1929.873 1.00 0.00 ATOM 2585 TRP S 768 48.716 49.396 10.157 1.00 0.00 ATOM 2586 TRP S 768 47.711 50.034 9.397 1.00 0.00 ATOM 2587 TRP S 768 49.000 47.028 16.284 1.00 0.00 H

ATOM 2588HE1 TRP S 768 43.990 49.652 11.466 1.00 0.00 ATOM 2589N LYS S 769 47.392 49.035 17.260 1.00 0.00 ATOM 2590 LYS S 769 47.031 50.104 18.203 1.00 0.00 CA

ATOM 2591 LYS S 769 47.843 51.385 18.018 1.00 0.00 C

ATOM 2592 LYS S 769 47.432 52.497 18.338 1.00 0.00 O

ATOM 2593 LYS S 769 47.114 49.581 19.637 1.00 0.00 CB

ATOM 2594 LYS S 769 46.207 50.243 20.683 1.00 0.00 CG

ATOM 2595CD LYS S 769 46.667 51.592 21.223 1.00 0.00 ATOM 2596 LYS S 769 45.581 52.249 22.068 1.00 0.00 CE

ATOM 2597 LYS S 769 46.014 53.591 22.444 1.00 0.00 NZ

ATOM 2598 LYS S 769 47.753 48.159 17.577 1.00 0.00 H

ATOM 25991HZ LYS S 769 45.134 54.112 22.605 1.00 0.00 ATOM 26002HZ LYS S 769 46.567 54.025 21.675 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 26013HZ LYS S 769 46.526 53.550 23.349 1.00 0.00 ATOM 2602 N GLN S 770 49.034 51.183 17426 1.00 0.00 ATOM 2603 CA GLN S 770 49.857 52.269 16.894 1.00 0.00 ATOM 2604 C GLN S 770 49.097 53.119 15.896 1.00 0.00 ATOM 26050 GLN S 770 48.855 54.305 16.120 1.00 0.00 ATOM 2606 CB -_GLN S 770 51.142 51.649 16.324 1.00 0.00 ATOM 2607CG GLN S 770 52.089 52.518 15.492 1.00 0.00 ATOM 2608 CD GLN S 770 51.843 52.352 13.998 1.00 0.00 ATOM 26090E1 GLN S 770 51.855 53.307 13.230 1.00 0.00 ATOM 2610 NE2 GLN S 770 51.741 51.095 13.557 1.00 0.00 ATOM 2611 H GLN S 770 49.297 50.231 17.295 1.00 0.00 ATOM 2612 1HE2 GLN S 770 51.962 50.904 12.601 1.00 0.00 ATOM 2613 2HE2 GLN S 770 51.442 50.347 14.152 1.00 0.00 ATOM 2614 N ASN S 771 48.663 52.427 14.819 1.00 0.00 ATOM 2615 CA ASN S 771 47.900 53.177 13.820 1.00 0.00 ATOM 2616 C ASN S 771 46.658 53.841 14.352 1.00 0.00 ATOM 2617 O ASN S 771 46.340 54.964 14.000 1.00 0.00 ATOM 2618 CB ASN S 771 47.517 52.369 12.590 1.00 0.00 ATOM 2619 CG ASN S 771 47.271 53.337 11.445 1.00 0.00 ATOM 2620 OD1 ASN S 771 46.168 53.729 11.077 1.00 0.00 ATOM 2621 ND2 ASN S 771 48.406 53.701 10.843 1.00 0.00 ATOM 2622 H ASN S 771 48.910 51.473 14.669 1.00 0.00 ATOM 2623 1HD2 ASN S 771 48.347 54.228 9.994 1.00 0.00 ATOM 2624 2HD2 ASN S 771 49.301 53.497 11.237 1.00 0.00 ATOM 2625 N VAL S 772 46.001 53.150 15.286 1.00 0.00 ATOM 2626 CA VAL S 772 44.888 53.802 15.991 1.00 0.00 ATOM 2627 C VAL S 772 45.276 55.056 16.775 1.00 0.00 ATOM 2628 O VAL S 772 44.606 56.089 16.806 1.00 0.00 ATOM 2629 CB VAL S 772 44.200 52.772 16.890 1.00 0.00 ATOM 2630 CG1 VAL S 772 42.996 53.345 17.639 1.00 0.00 ATOM 2631 CG2 VAL S 772 43.823 51.553 16.052 1.00 0.00 ATOM 2632H VAL S 772 46.389 52.258 15.526 1.00 0.00 ATOM 2633 N SER S 773 46.443 54.956 17.410 1.00 0.00 ATOM 2634 CA SER S 773 46.924 56.157 18.085 1.00 0.00 ATOM 2635 C SER S 773 47.550 57.192 17.134 1.00 0.00 ATOM 2636 O SER S 773 47.718 58.369 17.430 1.00 0.00 ATOM 2637 CB SER S 773 47.783 55.736 19.290 1.00 0.00 ATOM 2638 OG SER S 773 47.076 54.744 20.079 1.00 0.00 ATOM 2639 H SER S 773 46.987 54.123 17.325 1.00 0.00 ATOM 2640 HG SER S 773 46.839 54.078 19.430 1.00 0.00 ATOM 2641 N LEU S 774 47.822 56.730 15.902 1.00 0.00 ATOM 2642 CA LEU S 774 48.089 57.690 14.831 1.00 0.00 ATOM 2643 C LEU S 774 46.803 58.327 14.323 1.00 0.00 ATOM 2644 O LEU S 774 46.720 59.513 14.011 1.00 0.00 ATOM 2645 CB LEU S 774 48.872 57.005 13.705 1.00 0.00 ATOM 2646 CG LEU S 774 49.319 57.929 12.569 1.00 0.00 ATOM 2647 CD1 LEU S 774 50.255 59.038 13.055 1.00 0.00 ATOM 2648 CD2 LEU S 774 49.921 57.134 11.410 1.00 0.00 ATOM 2649 H LEU S 774 47.656 55.764 15.714 1.00 0.00 ATOM 2650N SER S 775 45.762 57.489 14.303 1.00 0.00 ATOM 2651 CA SER S 775 44.429 57.965 13.944 1.00 0.00 ATOM 2652 C SER S 775 43.928 59.041 14.892 1.00 0.00 ATOM 2653 O SER S 775 43.333 60.048 14.509 1.00 0.00 ATOM 2654 CB SER S 775 43.467 56.780 13.801 1.00 0.00 ATOM 2655 OG SER S 775 43.971 55.841 12.829 1.00 0.00 ATOM 2656 H SER S 775 45.819 56.595 14.737 1.00 0.00 ATOM 2657 HG SER S 775 44.802 55.543 13.192 1.00 0.00 ATOM 2658 N ILE S 776 44.346 58.887 16.152 1.00 0.00 ATOM 2659 CA ILE S 776 44.151 59.964 17.120 1.00 0.00 ATOM 2660C ILE S 776 44.585 61.386 16.743 1.00 0.00 ATOM 2661 O ILE S 776 44.103 62.383 17.278 1.00 0.00 ATOM 2662 CB ILE S 776 44.623 59.480 18.500 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM2663 ILE S 776 43.434 59.556 19.446 1.00 0.00 ATOM2664 ILE S 776 45.835 60.234 19.066 1.00 O.OD

ATOM2665CD1 ILE S 776 42.199 58.898 18.833 1.00 0.00 _ ATOM2666H ILE S 776 44.675 57.982 16:396 1.00 0.00 ATOM2667N LEU S 777 45.473 61.437 15.737 1.00 0.00 ATOM2668 LEU S 777 45.677 62.706 15.030 1.00 0.00 CA _ ATOM2669 -LEU S 777 44.951 62.804 13.683 1.00 0.00 C

ATOM2670 LEU S 777 44.404 63.832 13.291 1.00 0.00 O

ATOM2671 LEU S 777 47.197 62.958 14.866 1.00 0.00 CB

ATOM2672 LEU S 777 47.537 64.361 14.364 1.00 0.00 CG

ATOM2673 LEU S 777 47.069 65.456 15.325 1.00 0.00 ATOM2674 LEU S 777 49.027 64.479 14.043 1.00 0.00 ATOM2675 LEU S 777 45.867 60.564 15.458 1.00 0.00 H

ATOM2676 LYS S 778 44.980 61.665 12.959 1.00 0.00 N

ATOM2677 LYS S 778 44.311 61.538 11.648 1.00 0.00 CA

ATOM2678 LYS S 778 42.822 61.931 11.599 1.00 0.00 C

ATOM2679 LYS S 778 42.207 63.170 10.557 1.00 0.00 O

ATOM2680CB LYS S 778 44.582 60.113 11.132 1.00 0.00 ATOM2681 LYS S 778 43.952 59.707 9.798 1.00 0.00 CG

ATOM2682 LYS S 778 44.444 60.538 8.616 1.00 0.00 CD

ATOM2683 LYS S 778 43.404 60.586 7.496 1.00 0.00 CE

ATOM2684 LYS S 778 42.190 61.231 8.D18 1.00 0.00 NZ

ATOM2685 LYS S 778 45.416 60.866 13.363 1.00 0.00 H

ATOM2686 LYS S 778 41.756 61.885 7.328 1.00 0.00 ATOM26872HZ LYS S 778 41.509 60.496 8.287 1.00 0.00 ATOM26883HZ LYS S 778 42.423 61.779 8.870 1.00 0.00 ATOM2689N SER S 779 42.255 62.061 12.805 1. D0 0.00 ATOM2690 SER S 779 41.015 62.801 12.996 1.00 0.00 CA

ATOM2691 SER S 779 41.048 64.213 12.406 1.00 0.00 C

ATOM2692 SER S 779 40.323 64.499 11.457 1.00 0.00 O

ATOM2693 SER S 779 40.665 62.743 14.489 1.00 0.00 CB

ATOM2694 SER S 779 40.696 61.362 14.909 1.00 0.00 OG

ATOM2695H SER S 779 42.741 61.706 13.601 1.00 0.00 ATOM2696 SER S 779 40.118 60.927 14.277 1.00 0.00 HG

ATOM2697N HIS S 780 41.940 65.059 12.947 1.00 0.00 ATOM2698CA HIS S 780 42..06366.406 12.385 1.00 0.00 ATOM2699 HIS S 780 42.461 66.378 10.917 1.00 0.00 C

ATOM2700 HIS S 780 41.742 66.857 10.039 1.00 0.00 O

ATOM2701 HIS S 780 43.066 67.258 13.178 1.00 0.00 CB

ATOM2702 HIS S 780 42.711 67.376 14.646 1.00 0.00 CG

ATOM2703ND1 HIS S 780 41.496 67.708 15.116 1.00 0.00 ATOM2704 HIS S 780 43.570 67.199 15.738 1.00 0.00 ATOM2705CE1 HIS S 780 41.578 67.743 16.481 1.00 0.00 ATOM2706 HIS S 780 42.859 67.432 16.871 1.00 0.00 ATOM2707H HIS 5 780 42.514 64.769 13.713 1.00 0.00 ATOM2708 HIS S 780 40.689 67.917 14.596 1.00 0.00 ATOM2709N GLU S 781 43.645 65.752 10.707 1.00 0.00 ATOM2710 GLU S 781 44.211 65.523 9.370 1.00 0.00 CA

ATOM2711 GLU S 781 44.538 66.778 8.558 1.00 0.00 C

ATOM2712 GLU S 781 45.686 67.182 8.393 1.00 0.00 O

ATOM2713 GLU S 781 43.308 64.539 8.617 1.00 0.00 CB

ATOM2714 GLU S 781 43.651 64.249 7.158 1.00 0.00 CG

ATOM2715 GLU S 781 42.332 64.169 6.422 1.00 0.00 CD

ATOM27160E1 GLU S 781 41.920 63.079 6.037 1.00 0.00 ATOM27170E2 GLU S 781 41.703 65.208 6.253 1.00 0.00 ATOM2718 GLU S 781 44.180 65.466 11.501 1.00 0.00 H

ATOM2719 ASN S 782 43.465 67.387 8.033 1.00 0.00 N

ATOM2720 ASN S 782 43.553 68.648 , 7.2981.00 0.00 CA

ATOM2721 ASN S 782 42.766 69.715 8.032 1.00 0.00 C

ATOM2722 ASN S 782 42.049 70.537 7.465 1.00 0.00 O

ATOM2723 ASN S 782 43.005 68.481 5.881 1.00 0.00 CB

ATOM2724 ASN S 782 44.107 68.041 4.943 1.00 0.00 CG

SUBSTITUTE SHEET (RULE 2!i) ATOM 2725 ASN S 782 44.940 68.828 4.503 1.00 0.00 ATOM 2726 ASN S 782 44.067 66.748 4.604 1.00 0.00 ATOM 2727 ASN S 782 42.565 67.024 8.273 1.00 0.00 H

ATOM 2728 ASN S 782 44.734 66.400 3.950 1.00 0.00 ATOM 27292HD2ASN S 782 43.373 66.138 5.002 1.00 0.00 ATOM 2730 GLY S 783 42.899 69.632 9.363 1.00 0.00 N .

ATOM 2?31 GLY S 783 42.081 70.480 10.228 1.00 0.00 CA

ATOM 2732 GLY S 783 40.659 69.971 10.406 1.00 0.00 C

ATOM 2733 GLY S 783 40.272 69.473 11.464 1.00 0.00 O

ATOM 2734 GLY S 783 43.432 68.879 9.740 1.00 0.00 H

ATOM 2735 PHE S 784 39.908 70.145 9.302 1.00 0.00 N

ATOM 2736 PHE S 784 38.464 69.933 9.278 1.00 0.00 CA

ATOM 2737 PHE S 784 37.983 68.739 10.075 1.00 0.00 C

ATOM 2738 PHE S 784 38.308 67.586 9.792 1.00 0.00 O

ATOM 2739 PHE S 784 37.977 69.870 7.826 1.00 0.00 CB

ATOM 2740 PHE S 784 36.477 70.054 7.748 1.00 0.00 CG

ATOM 2741 PHE S 784 35.923 71.336 7.956 1.00 0.00 ATOM 2742 PHE S 784 35.656 68.941 7.462 1.00 0.00 ATOM 2743 PHE S 784 34.527 71.510 7.873 1.00 0.00 ATOM 2744 PHE S 784 34.261 69.115 7.378 1.00 0.00 ATOM 2745 PHE S 784 33.711 70.396 7.584 1.00 0.00 CZ

ATOM 2746 PHE S 784 40.379 70.456 8.481 1.00 0.00 H

ATOM 2747 MET S 785 37.212 69.105 11.111 1.00 0.00 N

ATOM 2748 MET S 785 36.642 68.115 12.026 1.00 0.00 CA

ATOM 27490 MET S 785 35.302 68.609 12.558 1.00 0.00 ATOM 2750 MET S 785 35.103 68.857 13.746 1.00 0.00 O

ATOM 2751 MET S 785 37.650 67.834 13.150 1.00 0.00 CB

ATOM 2752 MET S 785 37.451 66.516 13.903 1.00 0.00 CG

ATOM 2753 MET S 785 38.604 66.355 15.281 1.00 0.00 SD

ATOM 2754 MET S 785 37.964 64.827 15.980 1.00 0.00 CE

ATOM 2755 MET S 785 37.090 70.085 11.288 1.00 0.00 H

ATOM 2756 GLU S 786 34.409 68.834 11.587 1.00 0.00 N

ATOM 2757 GLU S 786 33.137 69.433 11.971 1.00 0.00 CA

ATOM 27580 GLU S 786 31.971 68.504 11.725 1.00 0.00 ATOM 27590 GLU S 786 31.189 68.176 12.611 1.00 0.00 ATOM 2760 GLU S 786 32.958 70.798 11.292 1.00 0.00 CB

ATOM 2761 GLU S 786 33.873 71.904 11.858 1.00 0.00 CG

ATOM 2762 GLU S 786 33.522 72.256 13.302 1.00 0.00 CD

ATOM 27630E1 GLU S 786 32.508 71.792 13.810 1.00 0.00 ATOM 2764 GLU S 786 34.256 72.999 13.851 1.00 0.00 ATOM 2765 GLU S 786 34.601 68.501 10.661 1.00 0.00 H

ATOM 2766 ASP S 787 31.923 68.029 10.475 1.00 0.00 N

ATOM 2767 ASP S 787 30.963 66.975 10.132 1.00 0.00 CA

ATOM 27680 ASP S 787 30.995 65.791 11.101 1.00 0.00 ATOM 2769 ASP S 787 30.104 65.591 11.920 1.00 0.00 O

ATOM 277008 ASP S 787 31.127 '66.5698.647 1.00 0.00 ATOM 2771 ASP S 787 32.535 66.087 8.290 1.00 0.00 CG

ATOM 27720D1 ASP S 787 33.499 66.487 8.935 1.00 0.00 ATOM 2773 ASP S 787 32.678 65.286 7.377 1.00 0.00 ATOM 2774 ASP S 787 32.644 68.267 9.819 1.00 0.00 H

ATOM 2775N LEU S 788 32.123 65.075 11.051 1.00 0.00 ATOM 2776 LEU S 788 32.312 63.839 11.809 1.00 0.00 CA

ATOM 2777 LEU S 788 32.431 64.010 13.311 1.00 0.00 C

ATOM 27780 LEU S 788 32.365 63.058 14.090 1.00 0.00 ATOM 2779CB LEU S 788 33.570 63.123 11.315 1.00 0.00 ATOM 2780CG LEU S 788 33.765 63.083 9.797 1.00 0.00 ATOM 2781 LEU S 788 35.108 62.463 9.432 1.00 0.00 ATOM 2782 LEU S 788 32.603 62.428 9.052 1.00 0.00 ATOM 2783H LEU S 788 32.779 65.333 10.342 1.00 0.00 ATOM 2784 ASP S 789 32.687 65.268 13.694 1.00 0.00 N

ATOM 2785CA ASP S 789 32.897 65.416 15.121 1.00 0.00 ATOM 27860 ASP S 789 31.662 65.801 15.903 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2787 ASP S 789 31.021 64.963 16.549 1.00 0.00 O

ATOM 2788 ASP S 789 34.100 66.321 15.438 1.00 0.00 CB

ATOM 2789 ASP S 789 34.738 65.956 16.775 1.0-0 0.00 CG

ATOM 27900D1 ASP S 789 34.472 64.834 17.294 1.00 0.00 ATOM 2791 ASP S 789 35.522 66.726 17.315 1.00 0.00 ATOM 2792 ASP S 789 32.665 66.048 13.071 1.00 0.00 H -ATOM _ LYS S 790 31.392 67.114 15.894 1.00 0.00 N

ATOM 2794 LY5 S 790 30.651 67.706 17.017 1.00 0.00 CA

ATOM 2795 LYS S 790 29.331 67.053 17.341 1.00 0.00 C

ATOM 27960 LYS S 790 29.016 66.704 18.482 1.00 0.00 ATOM 2797CB LYS S 790 30.393 69.191 16.800 1.00 0.00 ATOM 2798 LYS S 790 31.625 69.956 16.346 1.00 0.00 CG

ATOM 2799 LYS S 790 32.764 70.041 17.363 1.00 0.00 CD

ATOM 2800CE LYS S 790 33.927 70.843 16.777 1.00 0.00 ATOM 2801 LYS S 790 33.407 72.128 16.290 1.00 0.00 NZ

ATOM 2802 LYS S 790 31.859 67.701 15.232 1.00 0.00 H

ATOM 2803 LYS S 790 33.058 72.737 17.054 1.00 0.00 ATOM 2804 LYS S 790 32.631 71.963 15.612 1.00 0.00 ATOM 28053HZ LYS S 790 34.104 72.634 15.713 1.00 0.00 ATOM 2806N THR S 791 28.592 66.873 16.238 1.00 0.00 ATOM 2807 THR S 791 27.173 66.532 16.242 1.00 0.00 CA

ATOM 2808 THR S 791 26.774 65.165 16.828 1.00 0.00 C

ATOM 28090 THR S 791 25.611 64.802 17.015 1.00 0.00 ATOM 2810 THR S 791 26.678 66.834 14.814 1.00 0.00 CB

ATOM 2811 THR S 791 25.265 67.032 14.757 1.00 0.00 ATOM 2812 THR S 791 27.163 65.832 13.769 1.00 0.00 ATOM 2813 THR S 791 29.033 67.136 15.379 1.00 0.00 H

ATOM 2814 THR S 791 25.052 67.421 13.911 1.00 0.00 ATOM 2815 TRP S 792 27.810 64.408 17.236 1.00 0.00 N

ATOM 2816CA TRP S 792 27.477 63.320 18.153 1.00 0.00 ATOM 2817C TRP S 792 26.909 63.743 19.509 1.00 0.00 ATOM 28180 TRP S 792 26.105 63.043 20.129 1.00 0.00 ATOM 2819CB TRP S 792 28.642 62.345 18.338 1.00 0.00 ATOM 2820 TRP S 792 28.101 61.135 19.064 1.00 0.00 CG

ATOM 2821 TRP S 792 27.313 60.120 18.506 1.00 0.00 CDl ATOM 2822 TRP S 792 28.204 60.816 20.470 1.00 0.00 ATOM 2823NE1 TRP S 792 26.928 59.223 19.448 1.00 0.00 ATOM 2824 TRP S 792 27.452 59.611 20.681 1.00 0.00 ATOM 2825 TRP S 792 28.853 61.446 21.554 1.00 0.00 ATOM 2826 TRP S 792 27.365 59.068 21.980 1.00 0.00 ATOM 2827 TRP S 792 28.757 60.888 22.846 1.00 0.00 ATOM 2828 TRP S 792 28.016 59.706 23.059 1.00 0.00 ATOM 2829H TRP S 792 28.735 64.658 16.948 1.00 0.00 '1TOM2830 TRP S 792 26.385 58.426 19.209 1.00 0.00 ATOM 2831 VAL S 793 27.346 64.915 19.983 1.00 0.00 N

ATOM 2832 VAL S 793 26.567 65.557 21.052 1.00 0.00 CA

ATOM 2833C VAL S 793 25.797 66.710 20.433 1.00 0.00 ATOM 2834 VAL S 793 25.621 66.694 19.218 1.00 0.00 O

ATOM 2835 VAL S 793 27.455 65.972 22.235 1.00 0.00 CB

ATOM 2836 VAL S 793 27.742 64.762 23.125 1.00 0.00 ATOM 2837CG2 VAL S 793 28.744 66.661 21.795 1.00 0.00 ATOM 2838H VAL S 793 28.012 65.435 19.448 1.00 0.00 ATOM 2839 ARG S 794 25.328 67.677 21.235 1.00 0.00 N

ATOM 2840 ARG S 794 24.867 68.902 20.584 1.00 0.00 CA

ATOM 2841C ARG S 794 26.064 69.738 20.131 1.00 0.00 ATOM 28420 ARG S 794 26.420 69.733 18.957 1.00 0.00 ATOM 2843 ARG S 794 23.853 69.647 21.476 1.00 0.00 CB

ATOM 2844 ARG S 794 22.677 68.755 21.925 1.00 0.00 CG

ATOM 2845 ARG S 794 21.743 69.405 22.962 1.00 0.00 CD

ATOM 2846 ARG S 794 20.944 68.410 23.691 1.00 0.00 NE

ATOM 2847CZ ARG S 794 21.075 68.246 2,5.033 1.00 0.00 ATOM 2848NH1 ARG S 794 20.364 67.307 25.642 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2849NH2 ARG S 794 21.880 69.022 25.747 1.00 0.00 ATOM 2850H ARG S 794 25.342 67.603 22.232 1.00 0.00 ATOM 2851 ARG S 794 20.258 67.859 23.222 1.00 0.00 HE

ATOM 2852 ARG S 794 20.534 67.113 26:601 1.00 0.00 ATOM 28532HH1ARG S 794 19.670 66.758 25.171 1.00 0.00 ATOM 2854 ARG S 794 21.806 69.122 26.737 1.00 0.00 ATOM 28552HH2_ S 794 22.618 69.509 25.285 1.00 0.00 ARG

ATOM 2856 TYR S 795 26.738 70.371 21.110 1.00 0.00 N

ATOM 2857CA TYR S 795 28.061 70.869 20.744 1.00 0.00 ATOM 2858C TYR S 795 29.170 70.261 21.587 1.00 0.00 ATOM 28590 TYR S 795 29.980 69.482 21.098 1.00 0.00 ATOM 2860CB TYR S 795 28.109 72.405 20.711 1.00 0.00 ATOM 2861 TYR S 795 29.405 72.853 20.070 1.00 0.00 CG

ATOM 2862 TYR S 795 30.473 73.232 20.907 1.00 0.00 ATOM 2863 TYR S 795 29.526 72.856 18.664 1.00 0.00 ATOM 2864 TYR S 795 31.708 73.563 20.333 1.00 0.00 ATOM 2865CE2 TYR S 795 30.760 73.201 18.087 1.00 0.00 ATOM 2866 TYR S 795 31.841 73.530 18.931 1.00 0.00 CZ

ATOM 28670H TYR S 795 33.075 73.831 18.384 1.00 0.00 ATOM 2868H TYR S 795 26.390 70.380 22.044 1.00 0.00 ATOM 2869HH TYR S 795 33.698 73.706 19.100 1.00 0.00 ATOM 2870N GLN S 796 29.160 70.624 22.878 1.00 0.00 ATOM 2871 GLN S 796 30.089 69.997 23.825 1.00 0.00 CA

ATOM 2872C GLN S 796 29.392 69.725 25.149 1.00 0.00 ATOM 28730 GLN S 796 29.767 70.163 26.238 1.00 0.00 ATOM 2874 GLN S 796 31.397 70.804 23.938 1.00 0.00 CB

ATOM 2875CG GLN S 796 31.221 72.301 24.201 1.00 0.00 ATOM 2876 GLN S 796 32.503 73.076 23.922 1.00 0.00 CD

ATOM 28770E1 GLN S 796 33.364 72.711 23.129 1.00 0.00 ATOM 2878NE2 GIN S 796 32.548 74.267 24.499 1.00 0.00 ATOM 2879H GIN S 796 28.493 71.289 23.218 1.00 0.00 ATOM 28801HE2GLN S 796 33.127 75.023 24.202 1.00 0.00 ATOM 28812HE2GLN S 796 31.952 74.368 25.305 1.00 0.00 ATOM 2882 GLU S 797 28.279 68.987 24.961 1.00 0.00 N

ATOM 2883CA GLU S 797 27.163 68.939 25.902 1.00 0.00 ATOM 2884 GLU S 797 27:038 69.942 27.033 1.00 0.00 C

ATOM 28850 GLU S 797 26.907 71.131 26.755 1.00 0.00 ATOM 2886CB GLU S 797 26.752 67.505 26.247 1.00 0.00 ATOM 2887CG GLU S 797 25.220 67.443 26.277 1.00 0.00 ATOM 2888CD GLU S 797 24.699 67.911 24.932 1.00 0.00 ATOM 28890E1 GLU S 797 24.596 67.085 24.041 1.00 0.00 ATOM 28900E2 GLU S 797 24.422 69.099 24.751 1.00 0.00 ATOM 2891H GLU S 797 28.177 68.606 24.043 1.00 0.00 ATOM 2892N CYS S 798 27.060 69.446 28.273 1.00 0.00 ATOM 2893CA CYS S 798 26.843 70.326 29.415 1.00 0.00 ATOM 2894 CYS S 798 28.111 71.069 29.843 1.00 0.00 C

ATOM 28950 CYS S 798 28.191 71.556 30.966 1.00 0.00 ATOM 2896CB CYS S 798 26.251 69.427 30.510 1.00 0.00 ATOM 2897SG CYS S 798 25.036 69.994 31.753 1.00 0.00 ATOM 2898 CYS S 798 27.164 68.446 28.416 1.00 0.00 H

ATOM 2899N ASP S 799 29.083 71.105 28.904 1.00 0.00 ATOM 2900CA ASP S 799 30.385 71.757 29.015 1.00 0.00 ATOM 2901C ASP S 799 31.300 71.400 30.152 1.00 0.00 ATOM 2902 ASP S 799 30.907 71.046 31.254 1.00 0.00 O

ATOM 2903 ASP S 799 30.331 73.263 28.787 1.00 0.00 CB

ATOM 2904 ASP S 799 31.123 73.573 27.531 1.00 0.00 CG

ATOM 2905001 ASP S 799 30.658 74.403 26.753 1.00 0.00 ATOM 2906002 ASP S 799 32.186 72.978 .27.306 1.00 0.00 ATOM 2907 ASP S 799 28.899 70.638 28.050 1.00 0.00 H

ATOM 2908N SER S 800 32.581 71.425 29.814 1.00 0.00 ATOM 2909CA SER S 800 33.531 70.826 30.736 1.00 0.00 ATOM 2910C SER S 800 34.469 71.819 31.362 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2911 SER S 800 35.683 71.822 31.144 1.00 0.00 ATOM 2912 SER S 800 34.293 69.706 30.057 1.00 0.00 CB

ATOM 2913 SER S 800 33.374 68.760 29.495 1.0-0 0.00 OG

ATOM 2914 SER S 800 32.816 71.967 29.008 1.00 0.00 H

ATOM 2915HG SER S 800 33.406 68.383 28.546 1.00 0.00 ATOM 2916 ARG S 801 33.858 72.682 32.173 1.00 0.00 N -ATOM _ ARG S 801 34.693 73.709 32.776 1.00 0.00 ATOM 2918 ARG S 801 34.278 74.080 34.185 1.00 0.00 C

ATOM 2919 ARG S BOl 33.912 75.216 34.491 1.00 0.00 O

ATOM 2920 ARG S 801 34.798 74.942 31.862 1.00 0.00 CB

ATOM 2921 ARG S 801 36.130 75.707 31.952 1.00 0.00 CG

ATOM 2922 ARG S 801 37.288 75.182 31.075 1.00 0.00 CD

ATOM 2923 ARG S 801 37.651 73.793 31.363 1.00 0.00 NE

ATOM 2924 ARG S 801 38.461 73.469 32.394 1.00 0.00 CZ

ATOM 2925NH1 ARG S 801 38.546 72.215 32.807 1.00 0.00 ATOM 2926 ARG S 801 39.156 74.399 33.026 1.00 0.00 ATOM 2927 ARG S 801 32.858 72.662 32.275 1.00 0.00 H

ATOM 2928 ARG S 801 37.190 73.050 30.867 1.00 0.00 HE

ATOM 29291HH1ARG S 801 39.159 72.001 33.585 1.00 0.00 ATOM 29302HH1ARG S 801 38.017 71.466 32.402 1.00 0.00 ATOM 29311HH2ARG S 801 39.638 74.139 33.871 1.00 0.00 ATOM 29322HH2ARG S 801 39.224 75.336 32.697 1.00 0.00 ATOM 2933N SER S 802 34.427 73.084 35.072 1.00 0.00 ATOM 2934 SER S 802 34.174 73.382 36.483 1.00 0.00 CA

ATOM 2935 SER S 802 35.119 74.346 37.166 1.00 0.00 C

ATOM 2936 SER S 802 34.974 74.647 38.347 1. 0.00 O OD

ATOM 2937CB SER S 802 34.094 72.100 37.279 1.00 0.00 ATOM 293806 SER S 802 33.450 71.146 36.438 1.00 0.00 ATOM 2939H SER S 802 34.664 72.146 34.807 1.00 0.00 ATOM 2940HG SER S 802 32.501 71.240 36.590 1.00 0.00 ATOM 2941 ASN S 803 36.053 74.872 36.354 1.00 0.00 N

ATOM 2942 ASN S 803 36.802 76.102 36.625 1.00 0.00 CA

ATOM 2943 ASN S 803 38.031 75.957 37.488 1.00 0.00 C

ATOM 2944 ASN S 803 39.095 76.508 37.221 1.00 0.00 O

ATOM 2945 ASN S 803 35.911 77.251 37.104 1.00 0.00 CB

ATOM 2946CG ASN S 803 36.069 78.395 36.138 1.00 0.00 ATOM 29470D1 ASN S 803 36.832 79.332 36.342 1.00 0.00 ATOM 2948ND2 ASN S 803 35.315 78.283 35.038 1.00 0.00 ATOM 2949H ASN S 803 36.303 74.295 35.579 1.00 0.00 ATOM 29501HD2ASN S 803 34.680 77.519 34.912 1.00 0.00 ATOM 29512HD2ASN S 803 35.408 78.968 34.320 1.00 0.00 ATOM 2952 ALA S 804 37.877 75.156 38.544 1.00 0.00 N

ATOM 2953 ALA S 804 39.112 74.680 39.156 1.00 0.00 CA

ATOM 2954C ALA S 804 39.890 73.646 38.331 1.00 0.00 ATOM 29550 ALA S 804 41.058 73.888 38.052 1.00 0.00 ATOM 2956 ALA S 804 38.897 74.236 40.613 1.00 0.00 CB

ATOM 2957 ALA S 804 36.982 74.726 38.623 1.00 0.00 H

ATOM 2958 PRO S 805 39.247 72.508 37.945 1.00 0.00 N

ATOM 2959CA PRO S 805 40.013 71.526 37.176 1.00 0.00 ATOM 2960 PRO S 805 39.936 71.796 35.669 1.00 0.00 C

ATOM 29610 PRO S 805 39.664 72.906 35.258 1.00 0.00 ATOM 2962CB PRO S 805 39.317 70.232 37.604 1.00 0.00 ATOM 2963 PRO S 805 37.838 70.613 37.667 1.00 0.00 CG

ATOM 2964 PRO S 805 37.881 72.039 38.197 1.00 0.00 CD

ATOM 29650XT PRO S 805 40.122 70.862 34.884 1.00 0.00 ATOM 2966C1 GLYC G 1 29.245 53.000 28.747 1.00 0.00 ATOM 2967 GLYC G 1 30.276 51.881 28.832 1.00 0.00 ATOM 296801 GLYC G 1 30.006 50.867 29.448 1.00 0.00 ATOM 296902 GLYC G 1 31.330 51.994 28.220 1.00 0.00 ATOM 2970 GLYC G 1 29.000 53.157 27.339 1.00 0.00 ATOM 29713H GLYC G 1 29.637 53.933 29.148 1.00 0.00 ATOM 29724H GLYC G 1 28.716 54.113 27.090 1.00 0.00 SUBSTITUTE SHEET (RULE 26) ATOM 2973 5H GLYC G 1 28.318 52.450 26.998 1.00 0.00 ATOM 2974 1H GLYC G 1 29.926 52.936 26.928 1.00 0.00 ATOM 29752H GLYC G 1 28.317 52.742 29.258 1.0-0 0.00 END

SUBSTITUTE SHEET (RULE 26) r i i Publications cited herein and the material for which they are cited are specifically incorporated by reference.
Those skilled in the art will recognize. or be able to ascertain using no more than routine experimentation, many equivalents to the specific embodiments of the invention described herein. Such equivalents are intended to be encompassed by the following claims.

SUBSTITUTE SHEET (RULE 26) SEQUENCE LISTING
(1) GENERAL INFORMATION:
(i) APPLICANT: Bearsden Bio, Inc.

(ii) TITLE OF INVENTION: METHOD OF
DETERMINI-NG PROTEIN-LIGAND

INTERACTIONS VIA COMPUTER MODELING

(iii) NUMBER OF SEQUENCES: 25 (iv) CORRESPONDENCE ADDRESS:

(A) ADDRESSEE: Patrea L. Pabst (B) STREET: 2800 One Atlantic Center 1201 West Peachtree Street (C) CITY: Atlanta (D) STATE: Georgia (E) COUNTRY: USA

(F) ZIP: 30306-3450 (v) COMPUTER
READABLE
FORM:

(A) MEDIUM TYPE: Floppy disk (B) COMPUTER: IBM PC compatible (C) OPERATING SYSTEM: PC-DOS/MS-DOS

(D) SOFTWARE: PatentIn Release #1.0, Version #1.25 (vi) CURRENT APPLICATION DATA:

(A) APPLICATION NUMBER: PCT/US98/03951 (B) FILING DATE: February 27, (C) CLASSIFICATION:

(viii)ATTORNEY/AGENT INFORMATION:

(A) NAME: Pabst, Patrea L.

(B) REGISTRATION NUMBER: 31.284 (C) REFERENCE/DOCKET NUMBER: SYM111 (ix) TELECOMMUNICATION INFORMATION:

(A) TELEPHONE: (404)873-8794 (B) TELEFAX: (404)873-8795 (2) INFORMATION
FOR
SEQ
ID
NO:1:

(i) SEQUENCE CHARACTERISTICS:

(A) LENGTH: 238 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO

(iv) ANTI-SENSE: NO

(xi) SEQUENCE DESCRIPTION: SEQ ID NO:1:

Ala Pro Asp Thr Val Arg Ile Gly Thr Thr Tyr Ala Leu Asp Thr Pro Phe Ser Lys Asp Ala Lys Gly Glu Phe Phe Asp Ile Ser Ile Gly Asp Leu Asn Glu Met Cys Lys Arg Met Gln Cys Thr Trp Gly Val Lys Val Ala Asp Phe Asp Ala Leu Ile Pro Ser A1a Lys Lys Ser Leu Lys Ile Asp I1e Ile Ser Ser Leu Ser Ile Thr Arg Gln Gln Ala Asp Lys Glu Ile Phe Ser Asp Lys Leu Tyr Ala Ala Arg Leu Ile Ala Asp Ser Ala SUBSTITUTE SHEET (RULE 26) r Ala Lys Gly Ser Pro Val Gln Pro Thr Leu Glu Ser Leu Lys Gly Lys His Val Gly Val Leu Gln Gly Ser Thr Gln Glu Ala Tyr Ala Asn Asp Asn Trp Arg Thr-Lys Gly Val Asp Val Val Ala Tyr Ala Asn Gln Asp Leu Ile Tyr Ser Asp Leu Thr Ala Gly Arg Leu Asp Ala Ala Leu Gln Asp Glu Val Ala Ala Ser Glu Gly Phe Leu Lys Gln Pro Ala Gly Lys Glu Tyr Ala Phe Ala Gly Pro Ser Val Lys Asp Lys Lys Tyr Phe Gly Asp Gly Thr Gly Val Gly Leu Arg Lys Asp Asp Thr Glu Leu Lys Ala Ala Phe Asp Lys Ala Leu Thr Glu Leu Arg Gln Asp Gly Thr Tyr Asp Lys Met Ala Lys Lys Tyr Phe Asp Phe Asn Val Tyr Gly Asp (2) INFORMATION FOR SEQ ID N0:2:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 154 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(x1) SEQUENCE DESCRIPTION: SEQ ID N0:2 Ser Thr Arg Leu Lys Ile Val Thr Ile His Gln Glu Pro Phe Val Tyr Val Lys Pro Thr Leu Ser Asp Gly Thr Cys Lys Glu Glu Phe Thr Val Asn Gly Asp Pro Val Lys Lys Val Ile Cys Thr Gly Pro Asn Asp Thr Ser Pro Gly Ser Pro Arg His Thr Val Pro Gln Cys Cys Tyr Gly Phe Cys Ile Asp Leu Leu Ile Lys Leu Ala Arg Thr Met Asn Phe Thr Tyr Glu Val His Leu Val Ala Asp Gly Lys Phe Gly Thr Gln Glu Arg Val Asn Asn Ser Asn Lys Lys Glu Trp Asn Gly Met Met Gly Glu Leu Leu Ser Gly Gln Ala Asp Met Ile Val Ala Pro Leu Thr Ile Asn Asn Glu Arg Ala Gln Tyr Ile Glu Phe Ser Lys Pro Phe Lys Tyr Gln Gly Leu Thr Ile Leu Val Lys Lys Glu Ile Pro Arg SUBSTITUTE SHEET (RULE 26) (2) INFORMATION FOR SEQ iD N0:3:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: I36 amino acids _ (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO -(xi) SEQUENCE DESCRIPTION: SEQ ID N0:3 Thr GIy Ile Asn Asp Pro Arg Leu Arg Asn Pro Ser Asp Lys Phe Ile Tyr Ala Thr Val Lys Gln Ser Ser Val Asp Ile Tyr Phe Arg Arg Gln Val Glu Leu Ser Thr Met Tyr Arg His Met Glu Lys His Asn Tyr Glu Ser Ala Ala Glu Ala Ile Gln Ala Val Arg Asp Asn Lys Leu His Ala Phe Ile Trp Asp Ser Ala Val Leu Glu Phe Glu Ala Ser Gln Lys Cys Asp Leu Val Thr Thr Gly Glu Leu Phe Phe Arg Ser Gly Phe Gly Ile Gly Met Arg Lys Asp Ser Pro Trp Lys Gln Asn Val Ser Leu Ser Ile Leu Lys Ser His Glu Asn Gly Phe Met Glu Asp Leu Asp Lys Thr Trp Val Arg Tyr Gln Glu Cys Asp Ser (2) INFORMATION FOR SEQ ID N0:4:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 140 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:4 Ser Arg His Leu Thr Val Ala Thr Leu Glu Glu Arg Pro Phe Val I1e Val Glu Ser Pro Asp Pro Gly Thr Gly Gly Cys Val Pro Asn Thr Val Pro Cys Arg Arg Gln Ser Asn His Thr Phe Ser Ser Gly Asp Val Ala Pro Tyr Thr Lys Leu Cys Cys Lys Gly Phe Cys Ile Asp Ile Leu Lys Lys Leu Ala Arg Val Val Lys Phe Ser Tyr Asp Leu Tyr Leu Val Thr Asn Gly Lys His Gly Lys Arg Val Arg Gly Val Trp Asn Gly Met Ile SUBSTITUTE SHEET (RULE 26) r i i Gly Glu Val Tyr Tyr Lys Arg Ala Asp Met Ala Ile Gly Ser Leu Thr Ile Asn Glu Glu Arg Ser Glu Ile Val Asp Phe Ser Val Pro Phe Val lI5 120 125 Glu Thr Gly Ile-Ser Val Met Val Ala Arg Ser Asn (2) INFORMATION FOR SEQ ID N0:5:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 135 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:5 Lys Lys Phe Gln Arg Pro Gln Asp Gln Tyr Pro Pro Phe Arg Phe Gly Thr Val Pro Asn Gly Ser Thr Glu Arg Asn Ile Arg Ser Asn Tyr Arg Asp Met His Thr His Met Val Lys Phe Asn Gln Arg Ser Val Glu Asp Ala Leu Thr Ser Leu Lys Met Gly Lys Leu Asp Ala Phe Ile Tyr Asp Ala Ala Val Leu Asn Tyr Met Ala Gly Lys Asp Glu Gly Cys Lys Leu Val Thr Ile Gly Ser Gly Lys Val Phe Ala Thr Thr Gly Tyr Gly Ile Ala Met Gln Lys Asp Ser His Trp Lys Arg Ala Ile Asp Leu Ala Leu Leu Gln Phe Leu Gly Asp Gly Glu Thr Gln Lys Leu Glu Thr Val Trp Leu Ser Gly Ile Cys Gln Asn (2) INFORMATION FOR SEQ ID N0:6:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 140 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:6 Asp Asp His Leu Ser Ile Val Thr Leu Glu Glu Ala Pro Phe Val Ile Val Glu Ser Val Asp Pro Leu Ser Gly Thr Cys Met Arg Asn Thr Val Pro Cys Gln Lys Arg Ile Ile Ser Glu Asn Lys Thr Asp Glu Glu Pro SUBSTITUTE SHEET (RULE 26) Gly Tyr Ile Lys Lys Cys Cys Lys Gly Phe Cys Ile Asp Ile Leu Lys Lys Ile Ser Lys Ser Val Lys Phe Thr Tyr Asp Leu Tyr Leu Val Thr Asn Gly Lys His'61y Lys Lys Ile Asn Gly Thr Trp Asn Gly Met Ile Gly Glu Val Val Met Lys Arg Ala Tyr Met Ala Val Gly Ser Leu Thr Ile Asn Glu Glu Arg Ser Glu Val Val Asp Phe Ser Val Pro Phe Ile Glu Thr Gly Ile Ser Val Met Val Ser Arg Ser Asn (2) INFORMATION FOR SEQ ID N0:7:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 133 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:7 Lys Lys Phe Gln Arg Pro Asn Asp Phe Ser Pro Pro Phe Arg Phe Gly Thr Val Pro Asn Gly Ser Thr Glu Arg Asn Ile Arg Asn Asn Tyr Ala Glu Met His Ala Tyr Met Gly Lys Phe Asn Gln Arg Gly Val Asp Asp Ala Leu Leu Ser Leu Lys Thr Gly Lys Leu Asp Ala Phe Ile Tyr Asp Ala Ala Val Leu Asn Tyr Met Ala Gly Arg Asp Glu Gly Cys Lys Leu Val Thr Ser Gly Lys Val Phe Ala Ser Thr Gly Tyr Gly Ile Ala Ile Gln Lys Asp Ser Gly Trp Lys Arg Gln Val Asp Leu Ala Ile Leu Gln Leu Phe Gly Asp Gly Glu Met Glu Glu Leu Glu Ala Leu Trp Leu Thr Gly Ile Cys His Asn (2) INFORMATION FOR SEQ ID N0:8:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 142 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:8 SUBSTITUTE SHEET (RULE 26) f I I

Asp Asn His Leu Ser Ile Val Thr Leu Glu Glu Ala Pro Phe Val Ile Val Glu Asp Ile Asp Pro Leu Thr Glu Thr Cys Val Arg Asn Thr Val Pro Cys Arg Lys Phe Val Lys Ile Asn Asn Ser Thr Asn Glu Gly Met Asn Val Lys Lys Cys Cys Lys Gly Phe Cys Ile Asp Ile Leu Lys Lys Leu Ser Arg Thr Val Lys Phe Thr Tyr Asp Leu Tyr Leu Val Thr Asn Gly Lys His Gly Lys Lys Val Asn Asn Val Trp Asn Gly Met Ile Gly Glu Val Val Tyr Gln Arg Ala Val Met Ala Val Gly Ser Leu Thr Ile Asn Glu Glu Arg Ser Glu Val Val Asp Phe Ser Val Pro Phe Val Glu Thr Gly Ile Ser Val Met Val Ser Arg Ser Asn Gly Thr Val (2) INFORMATION FOR SEQ ID N0:9:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 135 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:9 Lys Lys Phe Gln Arg Pro His Asp Tyr Ser Pro Pro Phe Arg Phe Gly Thr Val Pro Asn Gly Ser Thr Glu Arg Asn Ile Arg Asn Asn Tyr Pro Tyr Met His Gln Tyr Met Thr Arg Phe Asn Gln Arg Gly Val Glu Asp Ala Leu Val Ser Leu Lys Thr Gly Lys Leu Asp Ala Phe Ile Tyr Asp Ala Ala Val Leu Asn Tyr Lys Ala Gly Arg Asp Glu Gly Cys Lys Leu Val Thr Ile Gly Ser Gly Tyr Ile Phe Ala Ser Thr Gly Tyr Gly Ile Ala Leu Gln Lys Gly Ser Pro Trp Lys Arg Gln Ile Asp Leu Ala Leu Leu Gln Phe Val Gly Asp Gly Glu Met Glu Glu Leu Glu Thr Leu Trp Leu Thr Gly Ile Cys His Asn SUBSTITUTE SHEET (RULE 26) (2) INFORMATION FOR SEQ ID NO:10:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 123 amino acids -(B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE-TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEøUENCE DESCRIPTION: SEQ ID N0:10 Ser Ser Glu Asn Arg Thr Ile Val Val Thr Thr Ile Leu Glu Ser Pro Tyr Val Met Tyr Lys Lys Asn His Glu Met Leu Glu Gly Asn Glu Arg Tyr Glu Gly Tyr Cys Val Asp Leu Ala Tyr Glu Ile Ala Lys His Val Arg Ile Lys Tyr Lys Leu Ser Ile Val Gly Asp Gly Lys Tyr Gly Ala Arg Asp Pro Glu Thr Lys Ile Trp Asn Gly Met Val Gly Glu Leu Val Tyr Gly Lys Ala Asp Ile Ala Val Ala Pro Leu Thr Ile Thr Leu Val Arg Glu Glu Val Ile Asp Phe Ser Lys Pro Phe Met Ser Leu Gly Ile Ser Ile Met Ile Lys Lys Pro Gln Lys Ser Lys (2) INFORMATION FOR SEQ ID NO:11:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 150 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID NO:11 *Val Glu Arg Met Val Ser Pro Ile Glu Ser Ala Glu Asp Leu Ala Lys GIn Glu Thr Ile Ala Tyr Gly Thr Leu Asp Ser Gly Ser Thr Lys Glu Phe Phe Arg Arg Ser Lys Ile Ala Val Tyr Glu Lys Met Trp Ser Tyr Met Lys Ser Ala Glu Pro Ser Val Phe Thr Lys Thr Thr Ala Asp Gly Val Ala Arg Val Arg Lys Ser Lys Gly Lys Phe Ala Phe Leu Leu Glu Ser Thr Met Asn Glu Tyr Ile Glu Gln Arg Lys Pro Cys Asp Thr Met Lys Val Gly Gly Asn Leu Asp Ser Lys Gly Tyr Gly Val Ala Thr Pro ' 214 SUBSTITUTE SHEET (RULE 26) i Lys Gly Ser Ala Leu Gly Asn Ala Val Asn Leu Ala Val Leu Lys Leu Asn Glu Gln Gly Leu Leu Asp Lys Leu Lys Asn Lys Trp Trp Tyr Asp Lys Gly Glu Cys Gly Ser (2) INFORMATION FOR SEQ ID N0:12:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 123 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:12 Ser Leu Ser Asn Arg Ser Leu Ile Val Thr Thr Ile Leu Glu Glu Pro Tyr Val Leu Phe Lys Lys Ser Asp Lys Pro Leu Tyr Gly Asn Asp Arg Phe Glu Gly Tyr Cys Ile Asp Leu Leu Arg Glu Leu Ser Thr Ile Leu Gly Phe Thr Tyr Glu Ile Arg Leu Val Glu Asp Gly Lys Tyr Gly Ala Gln Asp Asp Val Asn Gly Gln Trp Asn Gly Met Val Arg Glu Leu Ile Asp His Lys Ala Asp Leu Ala Val Ala Pro Leu Ala Ile Thr Tyr Val Arg Glu Lys Val Ile Asp Phe Ser Lys Pro Phe Met Thr Leu Gly Ile Ser Ile Leu Tyr Arg Lys Pro Asn Gly Thr Asn (2) INFORMATION FOR SEQ ID N0:13:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 146 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:13 Val Glu Arg Met Glu Ser Pro Ile Asp Ser Ala Asp Asp Leu Ala Lys Gln Thr Lys Ile Glu Tyr Gly Ala Val Glu Asp Gly Ala Thr Met Thr Phe Phe Lys Lys Ser Lys Ile Ser Thr Tyr Asp Lys Met Trp Ala Phe Met Ser Ser Arg Arg Gln Ser Val Leu Val Lys Ser Asn,Glu Glu Gly SUBSTITUTE SHEET (RULE 26) Ile Arg Val Leu Thr Ser Asp Phe Leu Met Glu Gln Tyr Ala Ser Thr Thr Glu Phe Val Thr Gln Arg Asn Leu Thr Gln Ile Asn Cys Ile Gly Gly Ile Asp ~Ser Lys Gly Tyr Gly Thr Pro Met Leu Gly Val Gly Ser Pro Arg Asp Lys Ile Thr Ile Leu Gln Leu Gln Tyr Ala Ile Glu Glu Gly Leu His Met Met Lys Glu Trp Arg Gly Asn Lys Lys Trp Gly Cys Pro Glu (2) INFORMATION
FOR
SEQ
ID
N0:14:

(i) SEQUENCE CHARACTERISTICS:

(A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO

(iv) ANTI-SENSE: NO

(xi) SEQUENCE DESCRIPTION: SEQ :14 Pro Val Ile Ala (2) INFORMATION
FOR
SEQ
ID
N0:15:

(i) SEQUENCE CHARACTERISTICS:

(A) LENGTH: 7 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO

(iv) ANTI-SENSE: NO

(xi) SEQUENCE DESCRIPTION: SEQ :15 Gly Cys Ile Asp Leu Leu Ala (2) INFORMATION
FOR
SEQ
ID
N0:16:

(i) SEQUENCE CHARACTERISTICS:

(A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO

(iv) ANTI-SENSE: NO

(xi) SEQUENCE DESCRIPTION: SEQ
ID N0:16 Gly Ala Gly Lys (2) INFORMATION
FOR
SEQ
ID
N0:17:

(i) SEQUENCE CHARACTERISTICS:

(A) LENGTH: 9 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein SUBSTITUTE SHEET (RULE 26) r i (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:17 Trp Asn Gly Met Ile Gly Glu Leu Val (2) INFORMATION FOR SEQ ID N0:18:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 10 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID NO:18 Ala Asp Met Val Ala Pro Leu Thr Ile Asn (2) INFORMATION FOR SEQ ID N0:19:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 6 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:19 Glu Val Ile Asp Phe Ser (2) INFORMATION FOR SEQ ID N0:20:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 6 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:20 Gly Ile Ser Ile Met Val (2) INFORMATION FOR SEQ ID N0:21:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:21 Met Ala Xaa Met (2) INFORMATION FOR SEQ ID N0:22:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 4 amino acids (B) TYPE: amino acid SUBSTITUTE SHEET (RULE 26) (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:22 Ala Phe Ile Ala (2) INFORMATION FOR SEQ ID N0:23:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 6 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:23 Ser Ala Val Leu Glu Ala (2) INFORMATION FOR SEQ ID N0:24:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 7 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:24 Ser Thr Gly Ala Gly Ile Ala (2) INFORMATION FOR SEQ ID N0:25:
(i) SEQUENCE CHARACTERISTICS:
(A) LENGTH: 6 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (iii) HYPOTHETICAL: NO
(iv) ANTI-SENSE: NO
(xi) SEQUENCE DESCRIPTION: SEQ ID N0:25 Leu Ala Ile Leu Gln Leu SUBSTITUTE SHEET (RULE 26) T I I

Claims (19)

I claim:

1. A method for designing a model of a protein-ligand binding pocket of a binding protein comprising (a) building a model of the protein-ligand binding pocket based upon topographical similarity of the binding pocket to a bacterial periplasmic binding protein, (b) refining the model of the binding pocket by energy minimization of the binding pocket with a high affinity ligand in the binding pocket, (c) calculating interaction energies of basis set molecules by calculating the energies of the model of the binding pocket and the basis set molecules individually and the total energies of the individual bound complexes formed from the binding protein and the basis set molecules, (d) generating a predictive equation by performing regression analysis on the calculated energies and on molecular characteristics of the basis set molecules, and (e) altering the model of the binding pocket and repeating steps (b), (c), and (d) until either (1) the regression analysis results in a correlation coefficient of at least a predetermined value, or (2) none of the basis set molecules has a predicted p(IC50) differing from an experimentally determined p(IC50) by more than a predetermined value, wherein when either (1) the regression analysis results in a correlation coefficient of at least the predetermined value, or (2) none of the basis set molecules has a predicted p(IC50) differing from an experimentally determined p(IC50) by more than the predetermined value, the predictive equation generated in the last iteration of step (d) is the final predictive equation and the model refined in the last iteration of step (b) is the final model.

2. The method of claim 1 further comprising (f) calculating the interaction energy for a potential ligand molecule by calculating the energies of the binding pocket and the potential ligand molecule individually and the energy of the bound complex formed from the binding pocket and the potential ligand molecule, and (g) calculating the affinity of the potential ligand molecule by applying the interaction energies and molecular characteristics of the potential ligand molecule to the final predictive equation.

3. The method of claim 1 wherein the model of the binding pocket is altered to reduce or eliminate unfavorable contacts between the binding pocket and those basis set molecules having the greatest difference between the experimentally determined p(IC50) and the predicted p(IC50).

4. The method of claim 1 wherein the model is altered and steps (b), (c), and (d) are repeated until either the regression analysis results in a correlation coefficient of at least 0.8.

5. The method of claim 1 wherein the model is altered and steps (b), (c), and (d) are repeated until none of the basis set molecules has a predicted p(IC50) differing from the experimentally determined p(IC50) by more than 1.

6. The method of claim 1 wherein the model of the protein-ligand binding pocket is built based upon topographical similarity of the binding pocket to lysine/arginine/ornithine binding protein.

7. The method of claim 1 wherein the binding protein is a ligand gated ion channel protein, and wherein the model of the protein-ligand binding pocket is built based upon topographical similarity of the binding pocket to lysine/arginine/ornithine binding protein.

8. The method of claim 1 wherein the binding protein is a AMPA
receptor, wherein the model of the protein-ligand binding pocket is built based upon topographical similarity of the binding pocket to lysine/arginine/ornithine binding protein, and wherein the model of the binding pocket is refined by energy minimization of the binding pocket with AMPA in the binding pocket.

9. The method of claim 1 wherein the binding protein is a kainate receptor, wherein the model of the protein-ligand binding pocket is built based upon topographical similarity of the binding pocket to lysine/arginine/ornithine binding protein, and wherein the model of the binding pocket is refined by energy minimization of the binding pocket with kainic acid in the binding pocket.

10. The method of claim 1 wherein the binding protein is an NMDA receptor, wherein the protein-ligand binding pocket is a glutamate site on the NMDA receptor, wherein the model of the binding pocket is built based upon topographical similarity of the binding pocket to lysine/arginine/ornithine binding protein, and wherein the model of the binding pocket is refined by energy minimization of the binding pocket with glutamate in the binding pocket.

11. The method of claim 1 wherein the binding protein is an NMDA receptor, wherein the protein-ligand binding pocket is a glycine site on the NMDA receptor, wherein the model of the binding pocket is built based upon topographical similarity of the binding pocket to lysine/arginine/ornithine binding protein, and wherein the model of the binding pocket is refined by energy minimization of the binding pocket with glycine in the binding pocket.

12. A method for predicting the selectivity of a potential ligand molecule for a set of related binding proteins having protein-ligand binding pockets, the method comprising designing a model for the protein-ligand binding pockets of each of the binding proteins using the method of claim 1, calculating the interaction enemy for a potential ligand molecule by calculating the energies of each of the binding pockets and the potential ligand molecule individually and the energy of the bound complex formed from each of the binding pockets and the potential ligand molecule, and calculating the affinity of the potential ligand molecule for each of the binding pockets by applying the interaction energies and molecular characteristics of the potential ligand molecule to each of the final predictive equations, wherein a potential ligand molecule is considered selective if the difference between the calculated affinity of the potential ligand molecule for at least one of the binding pockets and the calculated affinity of the potential ligand molecule for at least one of the other binding pockets is greater than a predetermined value.

13. The method of claim 12 wherein each of the models is altered and steps (b), (c), and (d) are repeated until the regression analysis results in a correlation coefficient of at least 0.8.

14. The method of claim 12 wherein each of the models is altered and steps (b), (c), and (d) are repeated until none of the basis set molecules has a predicted p(IC50) differing from p(IC50) by more than 1.

15. A method for predicting the affinity of a potential ligand molecule binding to a binding protein having a protein-ligand binding pocket, the method comprising (a) calculating the interaction energy for a potential ligand molecule by calculating the energies of a model of the protein-ligand binding pocket and the potential ligand molecule individually and the energy of the bound complex formed from the binding pocket and the potential ligand molecule, and (b) calculating the affinity of the potential ligand molecule by applying the interaction energies and molecular characteristics of the potential ligand molecule to a predictive equation for ligand binding to the binding protein, wherein (1) the binding protein is AMPA receptor GluR3 and the model of the binding protein is the model of Table 3, (2) the binding protein is NMDA receptor NR2-B and the model of the binding protein is the model of Table 4, (3) the binding protein is kainate receptor GluR6 and the model of the binding protein is the model of Table 5, or (4) the binding protein is NMDA receptor NR1 and the model of the binding protein is the model of Table 6.

16. The method of claim 15 wherein the [the] binding protein is AMPA receptor GluR3 and the model of the binding protein is the model of Table 3.

17. The method of claim 15 wherein the binding protein is NMDA
receptor NR2-B and the model of the binding protein is the model of Table 4.

18. The method of claim 15 wherein the binding protein is kainate receptor GluR6 and the model of the binding protein is the model of Table 5.

19. The method of claim 15 wherein the binding protein is NMDA
receptor NR1 and the model of the binding protein is the model of Table 6.