PATENT ABSTRACT
The present invention relates to compounds (e.g., peptidomimetics and non-peptides) that treat, prevent, or stabilize cellular proliferative disorders and methods of treating, preventing, or stabilizing such disorders. The invention also provides three-dimensional structures of a human BRCT domain-BACH1 phosphopeptide complex.

PATENT DESCRIPTION
CROSS-REFERENCE TO RELATED APPLICATIONS 
       [0001]    This application is a divisional application of U.S. patent application Ser. No. 11/126,022 filed on May 9, 2005, which in turn claims the benefit of U.S. provisional patent application 60/569,131, filed on May 7, 2004, which is hereby incorporated by reference. 
     
    
     STATEMENT AS TO FEDERALLY SPONSORED RESEARCH 
       [0002]    The present research was supported by a grant from the National Institutes of Health-National Institute of General Medical Sciences (NIH-NIGMS; grant number GM60594). The U.S. government has certain rights to this invention. 
     
    
     BACKGROUND OF THE INVENTION 
       [0003]    The present invention relates to compounds (e.g., peptidomimetics) that inhibit cellular proliferation involving a protein having tandem BRCT domains and methods of treating proliferative disorders. Methods of designing and discovering such compounds are also provided. Applicants have discovered the three-dimensional structure of a BRCT domain-BACH1 phosphopeptide complex. 
         [0004]    The breast-cancer susceptibility protein, BRCA1, plays important roles in cell cycle control, transcriptional regulation, chromatin remodelling, and the response to DNA-damage. BRCA1 is a large, modular protein of 1,863 amino-acid residues containing an N-terminal RING domain, a central region rich in SQ/TQ dipeptide pairs, and tandem BRCT (BRCA1 C-terminal) domains. BRCA1 interacts with a large number of protein partners at different stages of the cell cycle and following genotoxic stress. For example, BRCA1 interacts with the DNA helicase BACH1 during S and G2 in normally cycling cells, whereas BRCA1 interacts with a subset of ATM/ATR substrates in response to DNA damage. In both S-phase and irradiated/mutagen-treated cells, BRCA1 localizes to distinct nuclear foci thought to represent sites of DNA-damage where BRCA1 is thought to function, at least in part, as a scaffold for the assembly of DNA-repair complexes. 
         [0005]    Mutations in BRCA1 occur in 50% of women with inherited breast cancer and up to 90% of women with combined breast and ovarian cancer. Most frameshift and deletion mutants truncate all or part of the BRCT repeats, while more than 70 missense mutations lie within the BRCT domains themselves. BRCT domains are α/β structures that occur singly or as multiple repeats in a number of proteins, in addition to BRCA1, that are involved in cell-cycle regulation and DNA-damage responses. Comprised of 80-100 amino acids, BRCT domains are generally thought to function as protein-protein recognition modules. 
         [0006]    There exists a need to better understand the mechanism by which defects in the BRCA1 pathway mediate cancer and a need for therapies that may be provided to prevent or treat the resulting cancers. Specifically, there is a need to better understand the function that the BRCT domains of BRCA1 play in this process. 
       SUMMARY OF THE INVENTION 
       [0007]    We recently discovered that a subset of tandem BRCT domains, including those of BRCA1, function as phosphoserine/phosphothreonine (pSer/pThr)-binding modules, indicating that some BRCT-mediated interactions with proteins involved in DNA-damage and cell-cycle control are regulated by protein phosphorylation. Oriented peptide library screening of tandem BRCT domains revealed phospho-dependent binding specificity extending from the pSer/pThr +1 to the pSer/pThr +5 position, with particularly strong selection for aromatic or aromatic/aliphatic residues in the pSer/pThr +3 position. High affinity phosphopeptides selected by in vitro oriented library screens were able to block the interaction of the tandem BRCT domains of BRCA1 and the transcriptional regulator PTIP with ATM/ATR-phosphorylated substrates. We concluded that the tumor-suppressor function of BRCA1 may directly depend on this interaction since its disruption is sufficient to abrogate the G2-M checkpoint following DNA damage. 
         [0008]    To determine the structural basis for phosphopeptide binding and phosphopeptide-motif selection, and investigate alternative structural mechanisms underlying BRCA1 BRCT mutations and cancer predisposition, we solved the high resolution X-ray crystal structure of the BRCA1 tandem BRCT repeats bound to a BACH1 phosphopeptide. We now provide a molecular rationale for phosphospecific binding, and show that a set of cancer-associated BRCA1 BRCT mutations eliminates phosphopeptide binding in vitro and BACH1 phosphoprotein binding in vivo, or alter the phosphopeptide recognition motif for the BRCA1 tandem BRCT domains. Our findings reveal a structural basis for mutation-associated loss of BRCA1 function. This discovery has allowed us to design compounds for the treatment of proliferative diseases associated with BRCA1 and further methods for designing and identifying additional compounds. 
         [0009]    Accordingly, in a first aspect, the invention features a computer that includes a processor in communication with a memory which has stored therein (a) at least one atomic coordinate, or a surrogate thereof, for all of the non-hydrogen atoms listed in Table 2 from each of a first group of residues that includes Ser1655, Gly1656, and Lys1702 of BRCA1 tandem BRCT domain complexed with a BACH1 phosphopeptide, or at least one atomic coordinate, or a surrogate thereof, for all of the non-hydrogen atoms listed in Table 2 from each of a second group of residues that includes Phe1704, Met1775, and Leu1839 of the tandem BRCT domain, or atomic coordinates that have a root mean square deviation of less than 3 Å from the coordinates of either the first or second groups of residues; and (b) a program for generating a three-dimensional model of the coordinates. In an embodiment, the memory has stored therein atomic coordinates for all of the non-hydrogen atoms, or surrogates thereof, of either the first or second group of residues, or atomic coordinates that have a root mean square deviation of less than 3 Å from the coordinates of either the first or second groups of residues. 
         [0010]    In another aspect, the invention features a computer that includes a processor in communication with a memory that has stored therein a pharmacophore model of a compound that binds to a tandem BRCT domain and a program for displaying the model, where the model includes at least one of the following: (a) a phosphate group on a phosphorylated residue of the phosphopeptide that participates in at least one hydrogen-bonding interaction; and (b) a phenylalanine or tyrosine residue at the +3 position of the phosphopeptide, where the phenylalanine or tyrosine side chain is directed towards the surface of the tandem BRCT domain. In one embodiment, the tandem BRCT domain is a BRCA1 tandem BRCT domain. In another embodiment, the tandem BRCT domain is a PTIP tandem BRCT domain. 
         [0011]    In another aspect, the invention features a computer that includes a processor in electrical communication with a memory that has stored therein a pharmacophore model of BRCA1 tandem BRCT domain ligands and a program for displaying the model which includes at least three of the following parameters: 
         [0012]    (a) a hydrogen bond acceptor group that forms a hydrogen bond with the side chain hydroxyl group of Ser1655 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the hydroxyl group and the acceptor group is less than 4 Ångstroms; 
         [0013]    (b) a hydrogen bond acceptor group that forms a hydrogen bond with the backbone amide group of Gly1656 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the amide group and the acceptor group is less than 4 Ångstroms; 
         [0014]    (c) a hydrogen bond acceptor group that forms a hydrogen bond with the side chain amine group of Lys1702 of the BRCA1 tandem BRCT domain, where the distance between a hydrogen of the amine group and the acceptor group is less than 4 Ångstroms; 
         [0015]    (d) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with the backbone amide group of Leu1657 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the amide group and the acceptor group is less than 6 Ångstroms; 
         [0016]    (e) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with a second water molecule, where the second water molecule in turn forms a hydrogen bond with the backbone amide group of Leu1701 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the amide group and the acceptor group is less than 8 Ångstroms; 
         [0017]    (f) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with a second water molecule, where the second water in turn forms a hydrogen bond with a third water molecule, where the third water molecule in turn forms a hydrogen bond with the backbone carbonyl group of Asn1774, where the distance between the oxygen of the carbonyl group and the acceptor group is less than 11 Ångstroms; 
         [0018]    (g) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with a second water molecule, where the second water molecule in turn forms a hydrogen bond with a third water molecule, where the third water molecule in turn forms a hydrogen bond with a fourth water molecule, where the fourth water molecule in turn forms a hydrogen bond with the backbone amide group of Ile1680 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the amide group and the acceptor group is less than 10 Ångstroms; 
         [0019]    (h) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with a second water molecule, where the second water molecule in turn forms a hydrogen bond with a third water molecule, where the third water molecule in turn forms a hydrogen bond with a fourth water molecule, where the fourth water molecule in turn forms a hydrogen bond with the side chain amide group of Gln1779 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the amide group and the acceptor group is less than 14 Ångstroms; 
         [0020]    (i) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with the backbone amide group of Arg1699 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the amide group and the acceptor group is less than 7 Ångstroms; 
         [0021]    (j) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with the side chain carboxyl group of Glu1698 of the BRCA1 tandem BRCT domain, where the distance between an oxygen of the carboxyl group and the acceptor group is less than 6 Ångstroms; 
         [0022]    (k) a hydrogen bond acceptor group that forms a hydrogen bond with the side chain guanidinium group of Arg1699 of the BRCA1 tandem BRCT domain, where the distance between a hydrogen of the side guanidinium group and the acceptor group is less than 4 Ångstroms; 
         [0023]    (l) a hydrogen bond donor group that forms a hydrogen bond with the side chain carbonyl group of Arg1699 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the donor group and the carbonyl oxygen is less than 4 Ångstroms; 
         [0024]    (m) a hydrophobic group that is less than 5 Ångstroms away from an atom of Phe1704, Met1775, or Leu1839 of the BRCA1 tandem BRCT domain. 
         [0025]    (n) a hydrogen bond acceptor group that forms a hydrogen bond with a water molecule, where the water molecule in turn forms a hydrogen bond with the side chain carboxyl group of Glu1836 of the BRCA1 tandem BRCT domain, where the distance between an oxygen of the carboxyl group and the acceptor group is less than 6 Ångstroms; or 
         [0026]    (o) a hydrogen bond donor group that forms a hydrogen bond with the side chain carboxyl group of Asp1840 of the BRCA1 tandem BRCT domain, where the distance between the hydrogen of the donor group and a carboxyl oxygen is less than 4 Ångstroms. 
         [0027]    In another aspect, the invention features a method of producing a structure for a candidate compound for a BRCA1 tandem BRCT domain that includes the steps of: 
         [0028]    (a) providing a three-dimensional structure of the tandem BRCT domain having at least one atomic coordinate, or a surrogate thereof, for all of the non-hydrogen atoms listed in Table 2 from each of a first group of residues that includes Ser1655, Gly1656, and Lys1702 of BRCA1 tandem BRCT domain complexed with a BACH1 phosphopeptide, or at least one atomic coordinate, or a surrogate thereof, for all of the non-hydrogen atoms listed in Table 2 from each of a second group of residues that includes Phe1704, Met1775, and Leu1839 of the tandem BRCT domain, or atomic coordinates that have a root mean square deviation of less than 3 Å from the coordinates of either the first or second groups of residues; and 
         [0029]    (b) producing a structure for a candidate compound where the structure defines a molecule having sufficient surface complementary to the tandem BRCT domain structure to bind the tandem BRCT domain in an aqueous solution. 
         [0030]    In one embodiment, the memory has stored therein atomic coordinates for all of the non-hydrogen atoms, or surrogates thereof, of either the first or second group of residues, or atomic coordinates that have a root mean square deviation of less than 3 Å from the coordinates of either the first or second groups of residues. 
         [0031]    In another embodiment, the candidate compound is a peptidomimetic compound. Desirable examples of peptidomimetic compounds include those that include a phosphate moiety or a phosphonate moiety. In another embodiment, the compound binds a tandem BRCT domain. 
         [0032]    In another aspect, the invention features a compound having a structure produced by a method that includes the steps of: 
         [0033]    (a) providing a three-dimensional structure of the tandem BRCT domain having at least one atomic coordinate, or a surrogate thereof, for all of the non-hydrogen atoms listed in Table 2 from each of a first group of residues that includes Ser1655, Gly1656, and Lys1702 of BRCA1 tandem BRCT domain complexed with a BACH1 phosphopeptide, or at least one atomic coordinate, or a surrogate thereof, for all of the non-hydrogen atoms listed in Table 2 from each of a second group of residues that includes Phe1704, Met1775, and Leu1839 of the tandem BRCT domain, or atomic coordinates that have a root mean square deviation of less than 3 Å from the coordinates of either the first or second groups of residues; and 
         [0034]    (b) producing a structure for a candidate compound where the structure defines a molecule having sufficient surface complementary to the tandem BRCT domain structure to bind the tandem BRCT domain in an aqueous solution. 
         [0035]    In an embodiment, the memory has stored therein atomic coordinates for all of the non-hydrogen atoms, or surrogates thereof, of either the first or second group of residues, or atomic coordinates that have a root mean square deviation of less than 3 Å from the coordinates of either the first or second groups of residues. 
         [0036]    In another aspect, the invention features a crystal of a complex comprising a tandem BRCT domain bound to a phosphopeptide. In one embodiment, the tandem BRCT domain is a PTIP tandem BRCT domain. In another embodiment, the phosphopeptide includes the amino acid sequence [pSer/pThr]-X-X-[Phe/Tyr] (SEQ ID NO.: 42). In one example, the +1 position of the phosphopeptide can be proline. In another example the phosphopeptide includes the amino acid sequence Ser-Arg-Ser-Thr-pSer-Pro-Thr-Phe-Asn-Lys (SEQ ID NO.: 43). In another embodiment, the tandem BRCT domain is a BRCA1 tandem BRCT domain. In one example, the tandem BRCT domain is BRCA1 1646-1859  (SEQ ID NO.: 4). In other examples, the tandem BRCT domain can be BRCA1 1646-1863  or BRCA1 1633-1863  (SEQ ID NO.: 8). In yet another embodiment, the crystal has a space group of P3 2 21 and a unit cell dimension of a=b=65.8 Å and c=93.1 Å). 
         [0037]    In another aspect, the invention features a method for selecting or identifying a compound that is a modulator of phosphopeptide binding to a BRCA1 tandem BRCT domain that includes the steps of: 
         [0038]    a) contacting a BACH1 phosphopeptide and the tandem BRCT domain under conditions that allow for the formation of a complex between the phosphopeptide and the tandem BRCT domain; 
         [0039]    b) contacting the complex of step (a) with a candidate compound; and 
         [0040]    c) measuring the displacement of the phosphopeptide from the tandem 
         [0041]    BRCT domain, where the displacement of the phosphopeptide from the tandem BRCT domain indicates that the candidate compound is a peptidomimetic compound that modulates phosphopeptide binding to a tandem BRCT domain. 
         [0042]    In one embodiment, the candidate compound is identified using rational drug design. In another embodiment, the compound modulates phosphopeptide binding to a tandem BRCT domain. 
         [0043]    In another aspect, the invention features a method for treating or inhibiting cellular proliferation in a subject that includes administering any of the compounds of the invention in an amount sufficient to treat or inhibit the cellular proliferative disorder in the subject. In one embodiment, the method further includes administering a chemotherapeutic agent, where the phosphopeptide and the chemotherapeutic agent are administered in amounts sufficient to inhibit the cellular proliferative disorder in the subject, and where the chemotherapeutic agent is administered simultaneously or within twenty-eight days of administering the phosphopeptide. Examples of useful chemotherapeutic agent are listed in Table 3. 
         [0044]    In another embodiment, the method further includes radiation therapy, where the phosphopeptide and the radiation therapy are administered in amounts sufficient to treat or inhibit the cellular proliferative disorder in the subject, and where the radiation therapy is administered simultaneously or within twenty-eight days of administering the phosphopeptide. 
         [0045]    The cellular proliferative disorder can be a neoplasm or cancer, such as, for example, those cancers selected from the group consisting of acoustic neuroma, acute leukemia, acute lymphocytic leukemia, acute monocytic leukemia, acute myeloblastic leukemia, acute myelocytic leukemia, acute myelomonocytic leukemia, acute promyelocytic leukemia, acute erythroleukemia, adenocarcinoma, angiosarcoma, astrocytoma, basal cell carcinoma, bile duct carcinoma, bladder carcinoma, brain cancer, breast cancer, bronchogenic carcinoma, cervical cancer, chondrosarcoma, chordoma, choriocarcinoma, chronic leukemia, chronic lymphocytic leukemia, chronic myelocytic leukemia, colon cancer, colon carcinoma, craniopharyngioma, cystadenocarcinoma, embryonal carcinoma, endotheliosarcoma, ependymoma, epithelial carcinoma, Ewing&#39;s tumor, glioma, heavy chain disease, hemangioblastoma, hepatoma, Hodgkin&#39;s disease, large cell carcinoma, leiomyosarcoma, liposarcoma, lung cancer, lung carcinoma, lymphangioendotheliosarcoma, lymphangiosarcoma, macroglobulinemia, medullary carcinoma, medulloblastoma, melanoma, meningioma, mesothelioma, myxosarcoma, neuroblastoma, non-Hodgkin&#39;s disease, oligodendriglioma, osteogenic sarcoma, ovarian cancer, pancreatic cancer, papillary adenocarcinomas, papillary carcinoma, pinealoma, polycythemia vera, prostate cancer, rhabdomyosarcoma, renal cell carcinoma, retinoblastoma, schwannoma, sebaceous gland carcinoma, seminoma, small cell lung carcinoma, squamous cell carcinoma, sweat gland carcinoma, synovioma, testicular cancer, uterine cancer, Waldenstrom&#39;s fibrosarcoma, and Wilm&#39;s tumor. 
         [0046]    Any of the compounds of the invention can be in prodrug form, such as, for example, those prodrugs that include hydrolysable esters (e.g., methyl esters) or sulfonate groups. Other useful prodrugs of compounds of the invention are those in which a charged group of the compound is masked or those in which the prodrug includes a caged compound. 
         [0047]    The invention also features a pharmaceutical composition that includes any of the compounds of the invention, or prodrugs thereof, and a pharmaceutically acceptable excipient. 
       DEFINITIONS 
       [0048]    As used throughout this specification and the appended claims, the following terms have the meanings specified. 
         [0049]    As used herein, the terms “alkyl” and the prefix “alk-” are inclusive of both straight chain and branched chain groups and of cyclic groups, i.e., cycloalkyl and cycloalkenyl groups. Cyclic groups can be monocyclic or polycyclic and preferably have from 3 to 8 ring carbon atoms, inclusive. Exemplary cyclic groups include cyclopropyl, cyclopentyl, cyclohexyl, and adamantyl groups. 
         [0050]    By an “amino acid fragment” is meant an amino acid residue that has been incorporated into a peptide chain via its alpha carboxyl, its alpha nitrogen, or both. A terminal amino acid is any natural or unnatural amino acid residue at the amino-terminus or the carboxy-terminus. An internal amino acid is any natural or unnatural amino acid residue that is not a terminal amino acid. 
         [0051]    By “analog” is meant a molecule that is not identical but has analogous features. For example, a polypeptide analog retains the biological activity of a corresponding naturally-occurring polypeptide, while having certain biochemical modifications that enhance the analog&#39;s function relative to a naturally occurring polypeptide. Such biochemical modifications could increase the analog&#39;s protease resistance, membrane permeability, or half-life, without altering, for example, ligand binding. An analog may include an unnatural amino acid. 
         [0052]    By “antigenicity” is meant the ability of a substance to elicit an immune response. As one example, a compound may elicit an immune response through interaction with an antibody. 
         [0053]    By “apoptosis” is meant the process of cell death where a dying cell displays at least one of a set of well-characterized biological hallmarks, including cell membrane blebbing, cell soma shrinkage, chromatin condensation, or DNA laddering. 
         [0054]    By “aromatic residue” is meant an aromatic group having a ring system with conjugated π electrons (e.g., phenyl or imidazole). The ring of the aryl group is preferably 5 to 6 atoms. The aromatic ring may be exclusively composed of carbon atoms or may be composed of a mixture of carbon atoms and heteroatoms. Preferred heteroatoms include nitrogen, oxygen, sulfur, and phosphorous. Aryl groups may optionally include monocyclic, bicyclic, or tricyclic rings, where each ring has preferably five or six members. The aryl group may be substituted or unsubstituted. Exemplary substituents include alkyl, hydroxyl, alkoxy, aryloxy, sulfhydryl, alkylthio, arylthio, halo, fluoroalkyl, carboxyl, carboxyalkyl, amino, aminoalkyl, monosubstituted amino, disubstituted amino, and quaternary amino groups. 
         [0055]    By “aryl” is meant a carbocyclic aromatic ring or ring system. Unless otherwise specified, aryl groups are from 6 to 18 carbons. Examples of aryl groups include phenyl, naphthyl, biphenyl, fluorenyl, and indenyl groups. 
         [0056]    Aryl, heteroaryl, and heterocyclyl groups may be unsubstituted or substituted by one or more substituents selected from the group consisting of C 1-5  alkyl, hydroxy, halo, nitro, C 1-5  alkoxy, C 1-5  alkylthio, trihalomethyl, C 1-5  acyl, arylcarbonyl, heteroarylcarbonyl, nitrile, C 1-5  alkoxycarbonyl, oxo, arylalkyl (wherein the alkyl group has from 1 to 5 carbon atoms) and heteroarylalkyl (wherein the alkyl group has from 1 to 5 carbon atoms). 
         [0057]    By “atomic coordinates” (or “structural coordinates”) is meant those mathematical three-dimensional coordinates of the atoms in a crystalline material derived from mathematical equations related to the patterns obtained on diffraction of x-rays by the atoms (x-ray scattering centers) of the crystalline material. The diffraction data are used to calculate an electron density map of the unit cell of the crystal. These electron density maps are used to establish the positions of the individual atoms within the unit cell of the crystal. Atomic coordinates can be transformed, as is known to those skilled in the art, to different coordinate systems (i.e., surrogate systems) without affecting the relative positions of the atoms. 
         [0058]    By “BACH1 nucleic acid” is meant a nucleic acid, or analog thereof, that encodes all or a portion of a BACH1 polypeptide or is substantially identical to all or a portion of the nucleic acid sequence of Genbank Accession No. 13661818 (SEQ ID NO.: 24). 
         [0059]    By “BACH1 polypeptide” is meant a polypeptide substantially identical to all or a portion of the polypeptide sequence of Genbank Accession No. 13661819 (SEQ ID NO.: 25), or analog thereof. 
         [0060]    By “BACH1 phosphopeptide” is meant a phosphorylated polypeptide substantially identical to all or a portion of the polypeptide sequence of Genbank Accession No. 13661819, or analog thereof, and having binding activity to a BRCA1 tandem BRCT domain. 
         [0061]    By “basic pocket” is meant a discrete region of a molecule possessing net positive charge at pH 7.0. Such a region may be able to interact with a second molecule of complementary shape, charge, or other features, for example a therapeutic candidate compound. In one embodiment, such a region may be able to interact with a negatively charged group such as a phosphate moiety of a ligand. The basic pocket of a BRCA1 tandem BRCT domain is minimally defined by the BRCA1 tandem BRCT domain residues Ser1655, Gly1656, and Lys1702. 
         [0062]    By “biased phosphopeptide library” is meant a phosphoserine, phosphothreonine, and/or phosphotyrosine degenerate peptide library, wherein specific amino acid residues of the phosphopeptide are fixed so as to be expressed in all phosphopeptides in the specific library. For instance, a biased phosphopeptide library can be synthesized to contain the core sequence Ser-pSer-Pro or Ser-pThr-Pro. In a desirable embodiment, the amino acid residue adjacent to the phosphoserine, phosphothreonine, or phosphotyrosine residue is also fixed. 
         [0063]    By “binding to BRCA1” is meant having a physicochemical affinity for BRCA1. Binding may be measured by any of the methods of the invention, for example using an in vitro translation binding assay. 
         [0064]    By “biological activity” is meant a polypeptide or other compound having structural, regulatory, or biochemical functions of a naturally occurring molecule. For example, one biological activity of a BRCA1 tandem BRCT domain is phosphopeptide binding, which may be measured using in vivo or in vitro binding assays. 
         [0065]    By “BRCA1 biological activity” is meant at least one of the following: function in a DNA damage response pathway, cell cycle control, transcriptional regulation, chromatin remodeling, or phosphopeptide binding. In one assay for BRCA1 biological activity, the ability of BRCA1, or a fragment or mutant thereof comprising a tandem BRCT domain, to bind a BACH1 phosphopeptide is measured. 
         [0066]    By “BRCA1 nucleic acid” is meant a nucleic acid that encodes all or a portion of BRCA1 or is substantially identical to all or a portion of the nucleic acid sequence of Genbank Accession No. 30039658 (SEQ ID NO.: 1), or analog thereof. 
         [0067]    By “BRCA1 polypeptide” is meant a polypeptide substantially identical to all or a portion of the polypeptide sequence of Genbank Accession No. 30039659 (SEQ ID NO.: 2), or analog thereof, and having BRCA1 biological activity. 
         [0068]    By “BRCT domain” is meant a polypeptide of at least 80 amino acids that, together with a second BRCT domain, functions to bind phosphoserine- and phosphothreonine-containing polypeptides. In one embodiment, a BRCT domain is a polypeptide sequence that adopts a three-dimensional structure comprising at least three alpha helices and four beta strands. 
         [0069]    By “BRCT nucleic acid” is meant a nucleic acid that encodes at least one tandem BRCT domain, or analog thereof. For example, a nucleic acid substantially identical to PTIP BC033781[21707457] (SEQ ID NO.: 31), or NM — 007349 (PAX transcription activation domain interacting protein 1 mRNA) (SEQ ID NO.: 40) or Gene Bank Accession No: AY273801[30039658], is a BRCT nucleic acid. 
         [0070]    By “BRCA1 tandem BRCT domain mutant” is meant a polypeptide encoded by at least one mutation of a BRCA1 nucleic acid. 
         [0071]    By “caged compound” is meant a biologically active molecule coupled to a cleavable moiety such that the resulting coupled compound lacks biological activity as long as the moiety remains attached. Such a moiety prevents bioaction by sterically shielding one or more chemical groups of the molecule. The moiety may be removed by any means, including enymatic, chemical, or photolytic; removal of the moiety results in restoration of the molecule&#39;s biological activity. 
         [0072]    By “candidate compound” is meant any nucleic acid molecule, polypeptide, or other small molecule, that is assayed for its ability to alter gene or protein expression levels, or the biological activity of a gene or protein by employing one of the assay methods described herein. Candidate compounds include, for example, peptides, polypeptides, synthesized organic molecules, naturally occurring organic molecules, nucleic acid molecules, and components thereof. 
         [0073]    By “cellular proliferative disorder” or “disease or disorder characterized by inappropriate cell cycle regulation” is meant any pathological condition in which there is an abnormal increase or decrease in cell proliferation. Exemplary cellular proliferative disorders include cancer or neoplasms, inflammatory diseases, or hyperplasias (e.g. some forms of hypertension, prostatic hyperplasia). 
         [0074]    By “chemotherapeutic agent” is meant one or more chemical agents used in the treatment or control of proliferative diseases, including cancer. Chemotherapeutic agents include cytotoxic and cytostatic agents. Examples of chemotherapeutic agents include cytotoxic and cytostatic agents such as alemtuzumab, altretamine, aminoglutethimide, amsacrine, anastrozole, azacitidine, bicalutamide, bleomycin, busulfan, capecitabine, carboplatin, carmustine, celecoxib, chlorambucil, 2-chlorodeoxyadenosine, cisplatin, colchicine, cyclophosphamide, cytarabine, cytoxan, dacarbazine, dactinomycin, daunorubicin, docetaxel, doxorubicin, epirubicin, estramustine phosphate, etodolac, etoposide, exemestane, floxuridine, fludarabine, 5-fluorouracil, flutamide, formestane, gemcitabine, gentuzumab, goserelin, hexamethylmelamine, hydroxyurea, hypericin, ifosfamide, imatinib, interferon, irinotecan, letrozole, leuporelin, lomustine, mechlorethamine, melphalen, mercaptopurine, 6-mercaptopurine, methotrexate, mitomycin, mitotane, mitoxantrone, nilutamide, paclitaxel, pentostatin, procarbazine, raltitrexed, rituximab, rofecoxib, streptozocin, tamoxifen, temozolomide, teniposide, 6-thioguanine, topotecan, toremofine, trastuzumab, vinblastine, vincristine, vindesine, and vinorelbine, or any combination of these. Other chemotherapeutic agents include, but are not limited to, those listed in Table 3. 
         [0075]    By “three-dimensional model” is meant a three-dimensional representation of a molecule&#39;s structure. Computer modeling may be used to generate such a model in conjunction with structural data. These data could include x-ray crystallographic data, nuclear magnetic resonance data, electron microscopy data, or any other source of experimental or theoretical data useful for generating a model of a molecule or complex of molecules. 
         [0076]    By “complex” is meant a chemical association of two or more molecules. Complexes may include a network of weak electrostatic bonds that maintain the association of the molecules. Other types of interactions, such as covalent, ionic, hydrogen bond, hydrophobic, or van der Waals interactions, may be present instead of or in addition to electrostatic bonds between members of a complex. 
         [0077]    By “computer modeling” is meant the application of a computational program to determine one or more of the following: the location and binding proximity of a ligand to a binding moiety, the occupied space of a bound ligand, the amount of complementary contact surface between a binding moiety and a ligand, the deformation energy of binding of a given ligand to a binding moiety, and some estimate of hydrogen bonding strength, van der Waals interaction, hydrophobic interaction, and/or electrostatic interaction energies between ligand and binding moiety. Computer modeling can also provide comparisons between the features of a model system and a candidate compound. For example, a computer modeling experiment can compare a pharmacophore model of the invention with a candidate compound to assess the fit of the candidate compound with the model. Examples of techniques useful in the above evaluations include: quantum mechanics, molecular mechanics, molecular dynamics, Monte Carlo sampling, systematic searches and distance geometry methods. Further descriptions of computer modeling programs are provided elsewhere herein. 
         [0078]    By “detectably-labeled” is meant any means for marking and identifying the presence of a molecule, e.g. a phosphopeptide or a peptidomimetic small molecule that interacts with a BRCA1 tandem BRCT domain. Methods for detectably-labeling a molecule are well known in the art and include, without limitation, radionuclides (e.g., with an isotope such as  32 P,  33 P,  125 I, or  35 S), nonradioactive labeling (e.g., chemiluminescent labeling or fluorescein labeling), and epitope tags. 
         [0079]    If required, molecules can be differentially labeled using markers that can distinguish the presence of multiply distinct molecules. For example, a phosphopeptide that interacts with a PBD domain can be labeled with fluorescein and a PBD domain polypeptide can be labeled with Texas Red. The presence of the phosphopeptide can be monitored simultaneously with the presence of the PBD. 
         [0080]    By “drug” is meant a compound of the present invention that is, within the scope of sound medical judgment, suitable for use in contact with the tissues of humans and animals without undue toxicity, irritation, allergic response, and the like, commensurate with a reasonable benefit/risk ratio, and effective for their intended use, as well as the zwitterionic forms, where possible, of the compounds of the invention. 
         [0081]    By “fragment” is meant a portion of a polypeptide or nucleic acid having a region that is substantially identical to a portion of a reference protein or nucleic acid and retains at least 50% or 75%, more preferably 80%, 90%, or 95%, or even 99% of at least one biological activity of the reference protein or nucleic acid. 
         [0082]    By “inhibitory fragment” is meant a portion of a polypeptide or nucleic acid having a region that is substantially identical to a portion of a reference protein or nucleic acid and inhibits biological activity of the reference protein or nucleic acid by at least 5%, more desirably, by at least 10%, even more desirably, by at least 25%, 50%, or 75%, and most desirably, by 90% or more. 
         [0083]    By “halide” or “halogen” or “halo” is meant bromine, chlorine, iodine, or fluorine. 
         [0084]    By “heteroaryl” is meant an aromatic ring or ring system that contains at least one ring hetero-atom (e.g., O, S, N). Unless otherwise specified, heteroaryl groups are from 1 to 9 carbons. Heteroaryl groups include furanyl, thienyl, pyrrolyl, imidazolyl, pyrazolyl, oxazolyl, isoxazolyl, thiazolyl, isothiazolyl, triazolyl, oxadiazolyl, oxatriazolyl, pyridyl, pyridazyl, pyrimidyl, pyrazyl, triazyl, benzofuranyl, isobenzofuranyl, benzothienyl, indole, indazolyl, indolizinyl, benzisoxazolyl, quinolinyl, isoquinolinyl, cinnolinyl, quinazolinyl, naphtyridinyl, phthalazinyl, phenanthrolinyl, purinyl, and carbazolyl groups. 
         [0085]    By “heterocycle” is meant a non-aromatic ring or ring system that contains at least one ring heteroatom (e.g., O, S, N). Unless otherwise specified, heterocyclic groups are from 1 to 9 carbons. Heterocyclic groups include, for example, dihydropyrrolyl, tetrahydropyrrolyl, piperazinyl, pyranyl, dihydropyranyl, tetrahydropyranyl, tetrahydrofuranyl, dihydrothiophene, tetrahydrothiophene, and morpholinyl groups. 
         [0086]    By “hydrophobic pocket” is meant a discrete region of a molecule possessing hydrophobic character. Such a region may be able to interact with a second molecule of complementary shape, charge, or other features, for example a therapeutic candidate compound. In one embodiment, such a region may be able to interact with a hydrophobic group such as an aromatic side chain of a ligand. The hydrophobic pocket of a BRCA1 tandem BRCT domain is minimally defined by the BRCA1 tandem BRCT domain residues Phe1704, Met1775, and Leu1839. 
         [0087]    By “hydrogen bond acceptor (HBA)” is meant any atom that has a lone pair of electrons available for interacting with a hydrogen atom. Typical hydrogen bond acceptors include oxygen, sulfur, or nitrogen atoms, including those oxygen or nitrogen atoms that are SP 2 )-hybridized. 
         [0088]    By “hydrogen bond donor (HBD)” is meant a heteroatom, such as, for example, an oxygen, sulfur, or nitrogen, that bears a hydrogen. 
         [0089]    By “isolated polynucleotide” is meant a nucleic acid (e.g., a DNA) that is free of the genes which, in the naturally-occurring genome of the organism from which the nucleic acid molecule of the invention is derived, flank the gene. The term therefore includes, for example, a recombinant DNA that is incorporated into a vector; into an autonomously replicating plasmid or virus; or in to the genomic DNA of a prokaryote or eukaryote; or that exists as a separate molecule (for example, a cDNA or a genomic or cDNA fragment produced by PCR or restriction endonuclease digestion) independent of other sequences. In addition, the term includes an RNA molecule which is transcribed from a DNA molecule, as well as a recombinant DNA which is part of a hybrid gene encoding additional polypeptide sequence. 
         [0090]    By “main-chain atoms” or “main chain group” are meant those atoms in an amino acid, peptide, or protein that include the carbon and oxygen atom(s) of an amino acid&#39;s C1 carboxyl or carbonyl group; an amino acid&#39;s C2 carbon, and any hydrogen atom(s) bonded to the C2 carbon; and an amino acid&#39;s alpha-amine, and any hydrogen atom(s) bonded to the alpha amine. 
         [0091]    By “modulate” is meant a change, such as an decrease or increase. For example, the change could refer to a biological activity. Desirably, the change is either an increase or a decrease of at least 10%, 20%, 30%, 40%, 50%, 60%, 70%, 80%, 90% or 95% in expression or biological activity, relative to a reference or to control expression or activity, for example the expression or biological activity of a naturally occurring BRCA1 polypeptide. 
         [0092]    By “mutation” is meant an alteration in a naturally-occurring or reference nucleic acid sequence, such as an insertion, a deletion, a substitution, or a frameshift mutation. Desirably, the nucleic acid sequence has at least one base pair alteration from a naturally-occurring sequence. 
         [0093]    By “neoplasia” is meant a disease characterized by the pathological proliferation of a cell or tissue and its subsequent migration to or invasion of other tissues or organs. Neoplasia growth is typically uncontrolled and progressive, and occurs under conditions that would not elicit, or would cause cessation of, multiplication of normal cells. Neoplasias can affect a variety of cell types, tissues, or organs, including but not limited to an organ selected from the group consisting of bladder, bone, brain, breast, cartilage, glia, esophagus, fallopian tube, gallbladder, heart, intestines, kidney, liver, lung, lymph node, nervous tissue, ovaries, pancreas, prostate, skeletal muscle, skin, spinal cord, spleen, stomach, testes, thymus, thyroid, trachea, urogenital tract, ureter, urethra, uterus, and vagina, or a tissue or cell type thereof. Neoplasias include cancers, such as acoustic neuroma, acute leukemia, acute lymphocytic leukemia, acute monocytic leukemia, acute myeloblastic leukemia, acute myelocytic leukemia, acute myelomonocytic leukemia, acute promyelocytic leukemia, acute erythroleukemia, adenocarcinoma, angiosarcoma, astrocytoma, basal cell carcinoma, bile duct carcinoma, bladder carcinoma, brain cancer, breast cancer, bronchogenic carcinoma, cervical cancer, chondrosarcoma, chordoma, choriocarcinoma, chronic leukemia, chronic lymphocytic leukemia, chronic myelocytic leukemia, colon cancer, colon carcinoma, craniopharyngioma, cystadenocarcinoma, embryonal carcinoma, endotheliosarcoma, ependymoma, epithelial carcinoma, Ewing&#39;s tumor, glioma, heavy chain disease, hemangioblastoma, hepatoma, Hodgkin&#39;s disease, large cell carcinoma, leiomyosarcoma, liposarcoma, lung cancer, lung carcinoma, lymphangioendotheliosarcoma, lymphangiosarcoma, macroglobulinemia, medullary carcinoma, medulloblastoma, melanoma, meningioma, mesothelioma, myxosarcoma, neuroblastoma, non-Hodgkin&#39;s disease, oligodendriglioma, osteogenic sarcoma, ovarian cancer, pancreatic cancer, papillary adenocarcinomas, papillary carcinoma, pinealoma, polycythemia vera, prostate cancer, rhabdomyosarcoma, renal cell carcinoma, retinoblastoma, schwannoma, sebaceous gland carcinoma, seminoma, small cell lung carcinoma, squamous cell carcinoma, sweat gland carcinoma, synovioma, testicular cancer, uterine cancer, Waldenstrom&#39;s fibrosarcoma, and Wilm&#39;s tumor. 
         [0094]    By “nucleic acid” is meant an oligomer or polymer of ribonucleic acid or deoxyribonucleic acid, or analog thereof. This term includes oligomers consisting of naturally occurring bases, sugars, and intersugar (backbone) linkages as well as oligomers having non-naturally occurring portions which function similarly. Such modified or substituted oligonucleotides are often preferred over native forms because of properties such as, for example, enhanced cellular uptake and increased stability in the presence of nucleases. 
         [0095]    Specific examples of some preferred nucleic acids may contain phosphorothioates, phosphotriesters, methyl phosphonates, short chain alkyl or cycloalkyl intersugar linkages or short chain heteroatomic or heterocyclic intersugar linkages. Most preferred are those with CH 2 —NH—O—CH 2 , CH 2 —N(CH 3 )—CH 2 , CH 2 —O—N(CH 3 )—CH 2 , CH 2 —N(CH 3 —N(CH 3 )—CH 2  and O—N(CH 3 )—CH 2 —CH 2  backbones (where phosphodiester is O—P—O—CH 2 ). Also preferred are oligonucleotides having morpholino backbone structures (Summerton, J. E. and Weller, D. D., U.S. Pat. No. 5,034,506). In other preferred embodiments, such as the protein-nucleic acid (PNA) backbone, the phosphodiester backbone of the oligonucleotide may be replaced with a polyamide backbone, the bases being bound directly or indirectly to the aza nitrogen atoms of the polyamide backbone (P. E. Nielsen et al.  Science  199: 254, 1997). Other preferred oligonucleotides may contain alkyl and halogen-substituted sugar moieties comprising one of the following at the 2′ position: OH, SH, SCH 3 , F, OCN, O(CH 2 ) n NH 2  or O(CH 2 ) n CH 3 , where n is from 1 to about 10; C 1  to C 10  lower alkyl, substituted lower alkyl, alkaryl or aralkyl; Cl; Br; CN; CF 3 ; OCF 3 ; O-, S-, or N-alkyl; O-, S-, or N-alkenyl; SOCH 3 ; SO 2 CH 3 ; ONO 2 ; NO 2 ; N 3 ; NH 2 ; heterocycloalkyl; heterocycloalkaryl; aminoalkylamino; polyalkylamino; substituted silyl; an RNA cleaving group; a conjugate; a reporter group; an intercalator; a group for improving the pharmacokinetic properties of an oligonucleotide; or a group for improving the pharmacodynamic properties of an oligonucleotide and other substituents having similar properties. Oligonucleotides may also have sugar mimetics such as cyclobutyls in place of the pentofuranosyl group. 
         [0096]    Other preferred embodiments may include at least one modified base form. Some specific examples of such modified bases include 2-(amino)adenine, 2-(methylamino)adenine, 2-(imidazolylalkyl)adenine, 2-(aminoalklyamino)adenine, or other heterosubstituted alkyladenines. 
         [0097]    By “OE1” “OE2,” “OD1,” and “OD2,” the following is meant. By “OE1” is meant the side chain oxygen of a glutamic acid residue such that the torsion angle formed by the side chain atoms CB (the beta carbon), CD (the delta carbon), CG (the gamma carbon), and OE1 is between −90 and 90 degrees. 
         [0098]    By “OE2” is meant the side chain oxygen of a glutamic acid residue such that the torsion angle formed by the side chain atoms CB (the beta carbon), CD (the delta carbon), CG (the gamma carbon), and OE2 is not between −90 and 90 degrees. 
         [0099]    By “OD 1” is meant the side chain oxygen of an aspartic acid residue such that the torsion angle formed by the side chain atoms CA (the alpha carbon), CB, CG, and OD1 is between −90 and 90 degrees. 
         [0100]    By “OD2” is meant the side chain oxygen of an aspartic acid residue such that the torsion angle formed by the side chain atoms CA, CB, CG, and OD2 is not between −90 and 90 degrees. 
         [0101]    Other amino acid residue side chain atoms are similarly defined, where torsion angle of the instant atom, combined with the three most adjacent atoms connecting the instant atom to the main chain carboxyl group is measured and the instant atom is assigned a “1” designation if the torsion angle is between −90 and 90 degrees and a “2” designation if the torsion angle is not between −90 and 90 degrees. For symmetrical side chain ring atoms in tyrosine and phenylalanine residues, ring atoms including or most nearly connected to the two instant ring atoms are assigned a “CD1” designation if the torsion angle formed by CA, CB, CG, and CD1 is between −90 and 90 degrees and a “CD2” designation if the torsion angle formed by CA, CB, CG, and CD2 is not between −90 and 90 degrees. 
         [0102]    By “peptide” is meant any compound composed of amino acids, amino acid analogs, chemically bound together. In general, the amino acids are chemically bound together via amide linkages (CONH); however, the amino acids may be bound together by other chemical bonds known in the art. For example, the amino acids may be bound by amine linkages. Peptide as used herein includes oligomers of amino acids, amino acid analog, or small and large peptides, including polypeptides. 
         [0103]    By a “peptidomimetic” is meant a compound that is capable of mimicking or antagonizing the biological actions of a natural parent peptide. A peptidomimetic may include non-peptidic structural elements, unnatural peptides, synthesized organic molecules, naturally occurring organic molecules, nucleic acid molecules, and components thereof. Identification of a peptidomimetic can be accomplished by screening methods incorporating a binding pair and identifying compounds that displace the binding pair. Alternatively, a peptidomimetic can be designed in silico, by molecular modeling of a known protein-protein interaction, for example, the interaction of a phosphopeptide of the invention and a PBD. Desirably, the peptidomimetic will displace one member of a binding pair by occupying the same binding interface. More desirably the peptidomimetic will have a higher binding affinity to the binding interface. 
         [0104]    By “pharmaceutically acceptable excipient” is meant a carrier that is physiologically acceptable to the subject to which it is administered and that preserves the therapeutic properties of the compound with which it is administered. One exemplary pharmaceutically acceptable excipient is physiological saline. Other physiologically acceptable excipients and their formulations are known to one skilled in the art and described, for example, in  “Remington: The Science and Practice of Pharmacy”  (20th ed., ed. A. R. Gennaro A R., 2000, Lippincott Williams &amp; Wilkins). 
         [0105]    By “pharmacophore” or “pharmacophore model” is meant the ensemble of steric and electronic features that is used to optimize supramolecular interactions with a specific biological target structure and to trigger (or to block) its biological response. A pharmacophore can be considered as the largest common denominator shared by a set of active molecules. Pharmacophore models are particularly useful in drug design. 
         [0106]    In some embodiments, molecules may be derivatized with groups that introduce useful pharmacodynamic properties, such as those that transform an analog into a prodrug. Such groups are known to those skilled in the art, examples of which can be found in Testa and Mayer, Hydrolysis in Drug and Prodrug Metabolism: Chemistry, Biochemistry and Enzymology, published by Vch. Verlagsgesellschaft Mbh. (2003), which is hereby incorporated by reference. 
         [0107]    By “phosphopeptide” or “phosphoprotein” means a polypeptide in which one or more phosphate moieties are covalently linked to serine, threonine, tyrosine, aspartic acid, histidine amino acid residues, or amino acid analogs. A peptide can be phosphorylated to the extent of the number of serine, threonine, tyrosine, or histidine amino acid residues that is present. Desirably, a phosphopeptide is phosphorylated at 4 independent Ser/Thr/Tyr residues, at 3 independent Ser/Thr/Tyr residues, or at 2 independent Ser/Thr/Tyr residues. Most desirably, a phosphopeptide is phosphorylated at one Ser/Thr/Tyr residue regardless of the presence of multiple Ser, Thr, or Tyr residues. 
         [0108]    Typically, a phosphopeptide is produced by expression in a prokaryotic or eukaryotic cell under appropriate conditions or in translation extracts where the peptide is subsequently isolated, and phosphorylated using an appropriate kinase. Alternatively, a phosphopeptide may be synthesized by standard chemical methods, for example, using N-α-FMOC-protected amino acids (including appropriate phosphoamino acids). In a desired embodiment, the use of non-hydrolysable phosphate analogs can be incorporated to produce non-hydrolysable phosphopeptides (Jenkins et al.,  J. Am. Chem. Soc.,  124:6584-6593, 2002; herein incorporated by reference). Such methods of protein synthesis are commonly used and practiced by standard methods in molecular biology and protein biochemistry (Ausubel et al.,  Current Protocols in Molecular Biology , John Wiley &amp; Sons, New York, N.Y., 1994, J. Sambrook and D. Russel,  Molecular Cloning: A Laboratory Manual,  3 rd  Edition, Cold Spring Harbor Laboratory Press, Woodbury N.Y., 2000). Desirably, a phosphopeptide employed in the invention is generally not longer than 100 amino acid residues in length, desirably less than 50 residues, more desirably less than 25 residues, 20 residues, 15 residues. Most desirably the phosphopeptide is 2, 3, 4, 5, 6, 7, 8, 9, or 10 amino acid residues long. 
         [0109]    By a “Polo-like kinase” (Plk) is meant a polypeptide substantially identical to a Polo-like kinase amino acid sequence, having serine/threonine kinase activity, and having at least one Polo-box domain consisting of 2 Polo-boxes. Exemplary Polo-like kinase polypeptides include Plk-1 (GenBank Accession Number NP — 005021) (SEQ ID NO.: 33); Plk-2 (GenBank Accession Number NP — 006613) (SEQ ID NO.: 34); and Plk-3 (GenBank Accession Number NP — 004064) (SEQ ID NO.: 35). Additional Polo-like kinase polypeptides include GenBank Accession Numbers P53350 (SEQ ID NO.: 36) and Q07832 (SEQ ID NO.: 37). 
         [0110]    Structurally, Polo or Polo-like kinases have a unique amino terminus followed by a serine/threonine kinase domain, a linker region, a Polo-box (PB1), a linker sequence, a second Polo-box (PB 2), and a small stretch of 12-20 amino acids at the carboxy terminus. 
         [0111]    In desirable embodiments, Polo-like kinases include  Saccaromyces cereviseae , Cdc5 , Schizosaccaromyces pombe , Plo-1,  Drosophila melanogaster , Polo,  Xenopus laevis , Plx (Plx-1, -2, -3), and mammalian Plk-1, Prk/Fnk, Snk, and Cnk. The Polo-box is approximately 70 amino acids in length. 
         [0112]    By “Polo-like kinase biological activity” is meant any biological activity associated with Polo-like kinases, such as serine/threonine kinase activity. Other biological activities of Polo-like kinases include the localization of the kinase to the centrosomes, spindle apparatus, and microtubular organizing centers (MOCs). 
         [0113]    By “Polo-like kinase (PLK) nucleic acid molecule” is meant a nucleic acid, or nucleic acid analog, that encodes a Polo-like kinase polypeptide. For example, a Plk-1 nucleic acid molecule is substantially identical to the nucleic acid sequence of GenBank Accession Number X73458 or NM — 005030; a Plk-2/SNK nucleic acid molecule is substantially identical to NM — 006622; a Plk-3 nucleic acid molecule is substantially identical to NM — 004073; a Plx-1 nucleotide sequence is substantially identical to the nucleic acid sequence of GenBank Accession Number U58205; and a Polo nucleic acid molecule is substantially identical to the nucleic acid sequence of GenBank Accession Number AY095028 (SEQ ID NO.: 38) or NM — 079455. 
         [0114]    By “polypeptide” is meant any chain of at least two naturally-occurring amino acids, or unnatural amino acids (e.g., those amino acids that do not occur in nature) regardless of post-translational modification (e.g., glycosylation or phosphorylation), constituting all or part of a naturally-occurring or unnatural polypeptide or peptide, as is described herein. Naturally occurring amino acids include any one of the following: alanine (A or Ala), cysteine (C or Cys), aspartic acid (D or Asp), glutamic acid (E or Glu), phenylalanine (F or Phe), glycine (G or Gly), histidine (H, or His), isoleucine (I or Ile), lysine (K or Lys), leucine (L or Leu), methionine (M or Met), asparagine (N or Asn), proline (P or Pro), hydroxyproline (Hyp), glutamine (Q or Gln), arginine (R or Arg), serine (S or Ser), threonine (T or Thr), valine (V or Val), tryptophan (W or Trp), and tyrosine (Y or Tyr). Other amino acids that may also be incorporated into a polypeptide include Ornithine (O or Orn) and hydroxyproline (Hyp). 
         [0115]    Polypeptides or derivatives thereof may be fused or attached to another protein or peptide, for example, as a Glutathione-S-Transferase (GST) fusion polypeptide. Other commonly employed fusion polypeptides include, but are not limited to, maltose-binding protein,  Staphylococcus aureus  protein A, Flag-Tag, HA-tag, green fluorescent proteins (e.g., eGFP, eYFP, eCFP, GFP, YFP, CFP), red fluorescent protein, polyhistidine (6×His), and cellulose-binding protein. 
         [0116]    By “prodrug” is meant a compound that is modified in vivo, resulting in formation of a biologically active drug compound, for example by hydrolysis in blood. A thorough discussion of prodrug modifications is provided in T. Higuchi and V. Stella, Pro-drugs as Novel Delivery Systems, Vol. 14 of the A.C.S. Symposium Series, Edward B. Roche, ed., Bioreversible Carriers in Drug Design, American Pharmaceutical Association and Pergamon Press, 1987, and Judkins et al., Synthetic Communications 26(23):4351-4367, 1996, each of which is incorporated herein by reference. 
         [0117]    By “PTIP” or “Pax2 trans-activation domain-interacting protein” is meant a polypeptide, or analog thereof, substantially identical to Genebank Accession No: AAH33781.1 (SEQ ID NO.: 32) or NP — 031375, and having PTIP biological activity. 
         [0118]    By “PTIP biological activity” is meant function in a DNA damage response pathway or phosphopeptide binding. In one assay for PTIP biological activity, the ability of PTIP, or a fragment or mutant thereof comprising a tandem BRCT domain, to bind a phosphopeptide is measured. 
         [0119]    By “PTIP biological activity” is meant function in a DNA damage response pathway or phosphopeptide binding. 
         [0120]    By “PTIP nucleic acid” is meant a nucleic acid, or analog thereof, substantially identical to Genebank Accession No: 21707457 or NM — 007349. 
         [0121]    By “purified” is meant separated from other components that naturally accompany it. Typically, a factor is substantially pure when it is at least 50%, by weight, free from proteins, antibodies, and naturally-occurring organic molecules with which it is naturally associated. Desirably, the factor is at least 75%, more desirably, at least 90%, and most desirably, at least 99%, by weight, pure. A substantially pure factor may be obtained by chemical synthesis, separation of the factor from natural sources, or production of the factor in a recombinant host cell that does not naturally produce the factor. Proteins, vesicles, and organelles may be purified by one skilled in the art using standard techniques such as those described by Coligan et al. ( Current Protocols in Protein Science , John Wiley &amp; Sons, New York, 2000). The factor is desirably at least 2, 5, or 10 times as pure as the starting material, as measured using polyacrylamide gel electrophoresis or column chromatography (including HPLC) analysis (Coligan et al., supra). Exemplary methods of purification include (i) salting-out, i.e., (NH 4 ) 2 SO 4  precipitation; (ii) conventional chromatography, e.g., ion exchange, size exclusion, hydrophobic interaction, or reverse-phase; (iii) affinity chromatography, e.g., immunoaffinity, active site affinity, dye affinity, or immobilized-metal affinity; and (iv) preparative electrophoresis, e.g., isoelectric focusing or native PAGE. 
         [0122]    By “rational drug design” is meant the design or selection of drugs using information about the structure of the drugs&#39; protein target as a basis for the design or selection. 
         [0123]    By “salt bridge” is meant an electrostatic interaction between groups in a protein structure that results in the formation of a non-covalent interaction between an ionizable hydrogen of a hydrogen bond donor group and a heteroatom of a hydrogen bond acceptor group. Typically, salt bridges are formed between the hydrogen atom of the side chain carboxyl group of an aspartic acid or a glutamic acid and a side chain nitrogen atom found in lysine, ornithine, arginine, histidine, or tryptophan. 
         [0124]    By “side chain atoms” or “side chain group” are meant those atoms in an amino acid, peptide, or protein that do not include the carbon and oxygen atom(s) of an amino acid&#39;s C1 carboxyl or carbonyl group; an amino acid&#39;s C2 carbon, and any hydrogen atoms bonded to the C2 carbon; and an amino acid&#39;s alpha-amine, and any hydrogen atom(s) bonded to the alpha amine. 
         [0125]    By “space group” is meant a collection of symmetry elements of the unit cell of a crystal. 
         [0126]    By “subject” is meant any animal (e.g., a human). Other animals that can be treated using the methods, compositions, and kits of the invention include horses, dogs, cats, pigs, goats, rabbits, hamsters, monkeys, guinea pigs, rats, mice, lizards, snakes, sheep, cattle, fish, and birds. 
         [0127]    By “substantially identical” is meant a polypeptide or nucleic acid exhibiting at least 75%, but preferably 85%, more preferably 90%, most preferably 95%, or even 99% identity to a reference amino acid or nucleic acid sequence. For polypeptides, the length of comparison sequences will generally be at least 35 amino acids, preferably at least 45 amino acids, more preferably at least 55 amino acids, and most preferably 70 amino acids. For nucleic acids, the length of comparison sequences will generally be at least 60 nucleotides, preferably at least 90 nucleotides, and more preferably at least 120 nucleotides. 
         [0128]    Sequence identity is typically measured using sequence analysis software with the default parameters specified therein (e.g., Sequence Analysis Software Package of the Genetics Computer Group, University of Wisconsin Biotechnology Center, 1710 University Avenue, Madison, Wis. 53705). This software program matches similar sequences by assigning degrees of homology to various substitutions, deletions, and other modifications. Conservative substitutions typically include substitutions within the following groups: glycine, alanine, valine, isoleucine, leucine, methionine; aspartic acid, glutamic acid, asparagine, glutamine; serine, threonine; lysine, arginine; and phenylalanine, tyrosine. 
         [0129]    By “surrogate,” in the context of atomic coordinates, is meant any modification (e.g., mathematical modification or scaling) of the coordinates that preserves the relative relationships among the coordinates. 
         [0130]    By “tandem BRCT domain” is meant a protein having at least 2 tandem BRCT domains. For example, a protein substantially identical to the polypeptide sequence of AAH33781, NP — 031375, or Genbank Accession No. 30039659. 
         [0131]    By “treating,” “stabilizing,” or “preventing” a disease, disorder, or condition is meant preventing or delaying an initial or subsequent occurrence of a disease, disorder, or condition; increasing the disease-free survival time between the disappearance of a condition and its reoccurrence; stabilizing or reducing an adverse symptom associated with a condition; or inhibiting, slowing, or stabilizing the progression of a condition. Desirably, at least 20, 40, 60, 80, 90, or 95% of the treated subjects have a complete remission in which all evidence of the disease disappears. In another desirable embodiment, the length of time a patient survives after being diagnosed with a condition and treated with a compound of the invention is at least 20, 40, 60, 80, 100, 200, or even 500% greater than (i) the average amount of time an untreated patient survives or (ii) the average amount of time a patient treated with another therapy survives. 
         [0132]    By “unit cell” is meant the fundamental repeating unit of a crystal. 
         [0133]    By “unnatural amino acid” is meant an organic compound that has a structure similar to a natural amino acid, where it mimics the structure and reactivity of a natural amino acid. The unnatural amino acid as defined herein generally increases or enhances the properties of a peptide (e.g., selectivity, stability, binding affinity) when the unnatural amino acid is either substituted for a natural amino acid or incorporated into a peptide. 
         [0134]    Unnatural amino acids and peptides including such amino acids are described in U.S. Pat. Nos. 6,566,330 and 6,555,522. 
         [0135]    Other features and advantages of the invention will be apparent from the following description of the desirable embodiments thereof, and from the claims. 
     
    
     
       BRIEF DESCRIPTION OF THE DRAWINGS 
         [0136]      FIG. 1A  and  FIG. 1B  depict the structure of a BRCA1 tandem BRCT domain complexed with a BACH1 phosphopeptide.  FIG. 1A  is a ribbon representation of a BRCA1 tandem BRCT domain in complex with a pSer-containing BACH1 peptide shown as stick representation. The BACH1 phosphopeptide binds at the interface between the two BRCT repeats. The secondary-structure elements in BRCT2 are labelled ‘prime’ to differentiate them from the secondary-structure elements in BRCT1. Areas of 3 10 -helix are not labelled.  FIG. 1B  is an electron density map (2F o -F c ) covering the BACH1 phosphopeptide. 
           [0137]      FIG. 2A  and  FIG. 2B  depict BRCA1 BRCT cancer-linked mutations and sequence conservation in relation to the BACH1 phosphopeptide binding-site. 
           [0138]      FIG. 2A  is a molecular surface representation of a BRCA1 tandem BRCT domain showing how the cancer-associated mutations S1655F (SEQ ID NO.: 9), D1692Y (SEQ ID NO.: 11), C1697R (SEQ ID NO.: 12), R1699Q (SEQ ID NO.: 14), S1715R (SEQ ID NO.: 16), M1775R (SEQ ID NO.: 10) and Y1853X (SEQ ID NO.: 21) cluster with respect to the phosphopeptide binding-site.  FIG. 2B  is a comparison of the front and back views of the molecular surface showing the clustering of residues conserved in human, chimp, mouse, rat, chicken and  Xenopus  BRCA1 tandem BRCT domains. The BACH1 peptide binds in a conserved phosphopeptide binding-groove. 
           [0139]      FIG. 3A ,  FIG. 3B , and  FIG. 3C  depict the functional effects of tandem BRCT domain mutations.  FIG. 3A  is a schematic representation of protein-peptide contacts between a BRCA1 tandem BRCT domain and the BACH1 phosphopeptide. Hydrogen bonds, Van der Waals interactions and water molecules are denoted by dashed lines, crescents, and circles respectively. In  FIG. 3B , the wild-type and mutant myc-tagged BRCA1 tandem BRCT domain constructs containing the indicated mutations were analysed for binding to a bead-immobilized optimal tandem BRCT domain-interacting phosphopeptide, YDIpSQVFPF, or its non-phosphorylated counterpart. The weak phospho-independent binding of the R1699Q mutant was observed using 10-fold more sample input than used in the other lanes. In  FIG. 3C , U2OS cells transfected with wild-type and mutant myc-tagged BRCA1 tandem BRCT domain constructs were analysed for association with endogenous BACH1. 
           [0140]      FIG. 4A ,  FIG. 4B , and  FIG. 4C  reveal that the Phe +3 position of the BACH1 phosphopeptide is essential for BRCA1 tandem BRCT domain binding-specificity.  FIG. 4A  shows that residues Phe 1704, Met 1775, and Leu 1704 from a BRCA1 tandem BRCT domain form a hydrophobic pocket to accommodate the Phe +3 position of the BACH1 phosphopeptide. In  FIG. 4B , superposition of the crystal structure of a BRCA1 M1775R tandem BRCT domain mutant with the wild-type: BACH1 phosphopeptide complex reveals that this mutation occludes the BACH1 Phe +3 position.  FIG. 4C  depicts BRCA1 wild type tandem BRCT domain and the M1775R mutant binding to a BACH1 phosphopeptide spot array (columns A, C-I, K-N, P-T, V-W, and Y). The M1775R mutant spot blot was performed using 10 times the amount of protein and was exposed to film for a significantly longer amount of time than the wild-type protein. 
           [0141]      FIG. 5A  and  FIG. 5B  depict the localization of BRCA1 BRCT domains to nuclear phosphoproteins.  FIG. 5A  depicts the localization of wild-type, M1775R, or K1702M/S1655A versions of myc-tagged BRCA1 tandem BRCT domains in un-irradiated U2OS cells prior to (left panels) or following (right panels) extraction using Triton X-100-containing buffers. Bars indicate 25 μm.  FIG. 5B  depicts localization following Triton X-100 extraction as in  FIG. 5A  two hours following exposure of cells to 10 Gy of γ-radiation. Extracted cells were also stained using an anti-pSer/pThr-Gln epitope antibody that recognizes the phosphorylation motif generated by the DNA damage-response kinases ATM and ATR. Bars indicate 10 μm. 
       
    
    
     DESCRIPTION OF THE INVENTION 
     Structure of the BRCA1 BRCT:BACH1 Phosphopeptide Complex 
       [0142]    The BRCA1 tandem BRCT domains bound to the interacting phosphopeptide from BACH1 (residues 986-995) (SEQ ID NO.: 29) was crystallized and its structure solved at 1.85 Å resolution by X-ray diffraction ( FIG. 1A  and  FIG. 1B ). Phases were determined by molecular replacement using the previously determined structure of the un-liganded BRCA1 tandem BRCT domains (PDB ID 1JNX) as a search model (see Table 1). Difference Fourier maps revealed well-defined electron density for the phosphopeptide allowing modeling of eight residues corresponding to BACH1 Ser988-Lys995 (corresponding to residues 3-10 of SEQ ID NO.: 29). Each BRCT repeat forms a compact domain ( FIG. 1A ) in which a central, four-stranded beta-sheet is packed against two helices, α1 and α3, on one side and a single helix, α2 on the other. The two domains pack together through interaction between α2 of BRCT1 and the α1′/α3′ pair of BRCT2. A linker region connecting the two BRCT domains contains a β-hairpin-like structure βL and a short helical region, αL, that forms part of the interface through interactions with α2 of BRCT1 and the N-terminal end of α3′ from BRCT2. Overall, the structure of the tandem BRCT domain:phosphopeptide complex is similar to that of the un-liganded domains (rmsd ˜0.4 Å for all Cα atoms). However, superposition of the individual BRCT repeats reveals that phosphopeptide-binding is associated with a slight relative rotation of each BRCT domain and a translation of BRCT1 helix α1 towards the cleft between the domains. 
         [0143]    The BACH1 phosphopeptide binds in an extended conformation to a groove located at the highly conserved interface between the N- and C-terminal BRCT domains ( FIG. 1A  and  FIG. 2A ), consistent with the requirement of both domains for efficient phosphopeptide binding. This mode of binding is distinct from that observed in the phospho-independent interaction between p53 and the tandem BRCT domains of 53BP-1, which occurs primarily through the linker region. Our structure clearly shows that the phospho-dependent interactions that are necessary and sufficient for formation of the BACH1/BRCA1 complex occur on the opposite side of the BRCT-BRCT interface from those involved in the p53:53 BP-1 interaction. 
       BRCA1 BRCT:Phosphopeptide Specificity 
       [0144]    BRCA1 tandem BRCT domain binding to library-selected peptides in vitro, and to phosphorylated BACH1 in vivo is dominated by the presence of a phosphoserine/threonine and a phenylalanine three residues C-terminal to it (Phe +3). This is now confirmed by our structure which shows that the BACH1 pSer 990 phosphate moiety binds to a basic pocket through three direct hydrogen-bonding interactions involving the side chains of Ser1655 and Lys1702, and the main-chain NH of Gly1656 ( FIG. 3A ). All three of these residues are located in BRCT1 and all are absolutely conserved in BRCA1 homologues. Ser1655 and Gly1656 are situated within the loop preceding α1 and are brought into proximity with the phosphate moiety as a result of the conformational change that occurs upon phosphopeptide binding. Intriguingly, a S1655F mutation has been identified in a single breast cancer patient, although its link to disease has not been confirmed. In addition to these direct interactions, the phosphate, and some peptide main-chain atoms are also tethered through networks of water molecules, many of which are tetrahedrally hydrogen bonded ( FIG. 3A ). Indirect protein-solvent-phosphate contacts are unusual in phospho-dependent protein-protein interactions but have been observed previously in structures of phosphopeptide complexes of the human Plk1 Polo-box domain. 
         [0145]    The Phe +3 peptide side-chain fits into a hydrophobic pocket at the BRCT interface consisting of the side chains of Phe1704, Met1775 and Leu1839 contributed from both BRCT domains ( FIG. 3A  and  FIG. 4A ). This finding rationalizes the strong selection for aromatic amino acids in the +3 position of the binding motif seen in peptide library experiments, as well as the observation of Yu et al. that mutation of Phe993 to Ala eliminates BRCA1:BACH1 binding. Additional hydrogen-bonds with the main-chain N and C═O atoms of Phe +3 are supplied by main- and side-chain atoms from Arg1699, a site of mutation also associated with cancer predisposition. The phosphorylated Ser990 of BACH1 is preceded by an Arg residue in the −3 position and followed by a proline residue in the +1 position, suggesting potential Ser990 phosphorylation by either basophilic and/or proline-directed kinases. The BRCA1 tandem BRCT domains are also known to interact with pSQ-containing motifs characteristic of PI 3-kinase-like kinases such as ATM and ATR. In the tandem BRCT:BACH1 phosphopeptide co-crystal structure, there are no direct interactions between the +1 Pro side chain and the BRCT domains. Instead, this residue participates in only a single water-mediated hydrogen bond involving its carbonyl oxygen ( FIG. 3A ), consistent with the idea that various types of protein kinases can generate tandem BRCT phospho-binding motifs. The Lys +5 side chain makes two salt-bridging interactions with residues in BRCT2 ( FIG. 3A ), consistent with the Lys selection observed in this position by spot blot and peptide library experiments. 
       Cancer-Associated BRCA1 BRCT Mutations 
       [0146]    Residues that form or stabilize the phosphopeptide binding surface, and the domain-domain interface, are among the most highly conserved portions of the molecule in BRCA1 orthologues from humans, primates, rats and mice ( FIG. 2B ). Interestingly, these regions correlate strongly with the location of cancer-associated mutations ( FIG. 2A ). Some cancer-associated mutations may disrupt the global BRCT fold while others are more likely to specifically interfere with ligand binding. Approximately 80 tumor-derived mutations have been identified within the BRCA1 tandem BRCT domains, though only a few of these have been subsequently confirmed to result in cancer predisposition including D1692Y, C1697R, R1699W (SEQ ID NO.: 13), A1708E (SEQ ID NO.: 15), S1715R, G1738E (SEQ ID NO.: 17), P1749R (SEQ ID NO.: 18), M1775R, 5382InsC (a frameshift mutation that results in a stop codon at position 1829) (SEQ ID NO.: 22), and Y1853X (which truncates the last 11 residues). Most of these cluster at or near the phosphopeptide-interacting surface ( FIG. 2A ). Two of these mutated residues, Arg1699 and Met1775, directly interact with residues in the phosphopeptide ( FIG. 3A ). Two others, Pro1749 and Gly1738, are located at the BRCT1/BRCT2 interface beneath the molecular surface and their effects are likely to be mediated through alterations in the relative orientation of the tandem BRCT motifs that our structure suggests is necessary for phospho-dependent interactions with partner proteins. 
         [0147]    To verify the phosphoserine phosphate interactions observed in the X-ray structure and to investigate the effects of the most common tumor-derived point mutations, we investigated the binding of a panel of site-directed mutant BRCA1 tandem BRCT domains to the interacting region of BACH1. Binding was determined by measuring the ability of in vitro transcribed and translated proteins to bind to either phosphorylated and non-phosphorylated biotinylated peptides ( FIG. 3B ). Wild-type BRCA1 tandem BRCT domains clearly bind to phosphorylated but not non-phosphorylated peptides, while mutation of the conserved Ser1655 and Lys1702 (SEQ ID NO.: 19), alone or in combination, completely abolished the interaction. Five bona fide cancer-linked mutations, P1749R, G1738E, M1775R, Y1853X and 5382InsC, all result in complete loss of phosphopeptide binding. A mutation R1699W is cancer-linked and a second, R1699Q, has been detected in breast cancer patients but has not yet been directly related to disease-predisposition. We surmised that the glutamine side-chain might still participate in main-chain hydrogen bonding to the peptide and this is, indeed, the only BRCA1 tandem BRCT domain mutant that retained a small degree of binding in our assays. Somewhat surprisingly, however, the R1699Q mutant largely loses phospho-specificity, and instead bound to both phosphorylated and non-phosphorylated peptides. 
         [0148]    To investigate the in vivo binding of cancer-predisposing mutant BRCA1 tandem BRCT domains to endogenous BACH1, we transfected U2OS cells with a vector encoding the C-terminal 550 amino acids of BRCA1 containing a myc tag and an SV40 nuclear localization sequence as described by Chen et al. As shown in  FIG. 3C , interaction between the wild type BRCA1 tandem BRCT domains with full-length BACH1 was easily detected. In contrast, no in vivo interaction was observed between BACH1 and mutant BRCA1 tandem BRCT domains that disrupt phosphate-binding or predispose to breast and ovarian cancer. All of these cancer-associated mutant proteins were expressed at comparable levels when transfected into mammalian cells ( FIG. 3C ), suggesting that gross structural destabilization is unlikely to account for their cancer proclivity. 
         [0149]    Interpretation of the structural effects of the M1775R mutation is simplified since the X-ray crystal structure of the M1775R tandem BRCT domain mutant has been determined (PDB ID 1N5O), revealing a nearly identical structure as the wild-type protein with an average rmsd of 0.35 Å for all Cα atoms. Superposition of the mutant structure with that of our BACH1 complex shows that the guanidine portion of the substituent arginine side-chain extrudes into the tandem BRCT cleft, where it occupies the binding site for the essential Phe +3 of the phosphopeptide ( FIG. 4A  and  FIG. 4B ). In this case, loss of phosphopeptide-binding in vitro and BACH1 binding in vivo appear to be attributable to the severe steric clash of the Arg1775 side-chain with an important determinant of phospholigand specificity and affinity. The M1775R mutant protein does, however, bind weakly to a BACH1 phosphopeptide in which the +3 Phe is mutated to Asp or Glu ( FIG. 4C ). This is consistent with the introduction of a basic residue at the pSer +3 binding site and with the observation that this mutation creates new anion binding sites in the M1775R crystal structure. Thus, in addition to disrupting the native BRCA1:BACH1 interaction, this mutation may also result in the formation of inappropriate BRCA1 BRCT interactions. 
       Phosphopeptide-Binding and Nuclear Foci Formation 
       [0150]    Subcellular localization and nuclear foci formation by the wild type, S1655A/K1702M phosphopeptide-binding mutant (SEQ ID NO.: 20) and the M1775R cancer-associated mutant BRCA1 BRCT domains were studied before and after DNA damage in unsynchronized U2OS cells ( FIG. 5A  and  FIG. 5B ). To maximize visualization of nuclear foci, the cells were permeabilized with buffers containing 0.5% Triton X-100 prior to fixation and immunostaining. In un-extracted cells the wild-type BRCT domains and both of the mutant BRCT proteins showed equivalent diffuse nuclear localization. Extraction of the un-irradiated cells prior to fixation resulted in near complete loss of BRCT domain staining in all cases ( FIG. 5A ). Under these conditions, less than 5% of the wild-type and M1775R tandem BRCT-containing cells displayed 5 or more nuclear foci, and no foci were observed with the S1655A/K1702M double mutant. When the cells were irradiated with 10 Gy of γ-irradiation, and 2 hrs later permeabilized, fixed, and stained, nearly all of the cells containing the wild-type BRCA1 tandem BRCT domains demonstrated sharp punctate nuclear foci that largely co-localized with the staining pattern of an anti-pSer/pThr-Gln epitope antibody that recognizes ATM- and ATR-phosphorylated substrates ( FIG. 5B ). In contrast, the S1655A/K1702M mutant protein displayed only faint staining with a very fine granular pattern that completely failed to co-localize with pSer/pThr-Gln staining. This failure of foci formation and pSer/pThr-Gln co-localization is strong evidence that the phospho-binding function of the BRCA1 tandem BRCT domains is critical for normal subcellular localization following DNA damage. The M1775R mutant protein that binds weakly to phosphopeptides with a different specificity than the wild-type BRCA1 BRCT domains also formed punctate nuclear foci, although these were slightly reduced in number and showed less co-localization with pSer/pThr-Gln staining foci than the wild-type protein. This localization might result from synergistic weak binding to alternative non-optimal phosphorylated ligands present in high abundance in nuclear foci following DNA damage, as has been observed for other phosphopeptide-binding domain interactions. 
       Analysis of BRCA1 Tandem BRCT Domain-BACH1 Phosphopeptide Structure 
       [0151]    The 1.85 Å BRCA1 tandem BRCT domain:phosphopeptide structure described here is the highest resolution X-ray structure of any BRCT domain structure solved to date, and provides an enhanced structural framework within which the molecular basis of breast and ovarian cancer can be further investigated. The structure reveals why tandem BRCT repeats, rather than single BRCT domains, are required for binding to pSer- or pThr-containing phosphopeptides with high affinity and specificity, since motif recognition is mediated by residues contributed from both domains across the domain-domain interface. In addition, the structure rationalizes the observation that the BRCA1 BRCT domains do not bind to pTyr-containing sequences, since the phosphate recognition pocket appears too shallow to accept a bulky phenyl ring. Despite the fact that not all tandem BRCT domains appear to bind phosphopeptides, several residues involved in the binding are relatively conserved. Structures of additional BRCT:phosphopeptide complexes will be necessary to better understand negative determinants of binding. 
         [0152]    The BRCA1 tandem BRCT:phosphopeptide structure, in combination with biochemical and cell biological analysis, shows that some pro-oncogenic mutations in the BRCA1 C-terminal domains directly disrupt phosphopeptide binding or perturb the BRCT interface that forms the phospho-dependent binding surface. Similar conclusions were reached by Williams et al., who reported the structure of the BRCA1 tandem BRCT domains bound to an alternative phosphopeptide determined from oriented peptide library screening, and the un-liganded structures of the M1775R and V1809F mutants. 
         [0153]    Like the BRCT domains in PTIP, the BRCT domains in BRCA1 are sufficient for nuclear foci formation in response to DNA damage, and the phospho-binding function appears to be involved in this phenomenon. Four bona fide cancer-linked mutations, P1749R, G1738E, 5382InsC, and Y1853X all result in loss of phosphopeptide binding. A fifth mutation, M1775R, binds weakly to phosphopeptides with altered motif specificity, and can still form nuclear foci after DNA damage, however it completely loses the ability to interact with wild-type BACH1. These effects of the Pro 1749 and Met 1775 lesions confirm the previous observations that these mutations are sufficient to abrogate BRCA1-BACH1 interactions in vivo. Since BACH1 mutations have also been shown to be associated with the development of cancer, these findings suggest that the loss of this critical BRCA1 M1775R:BACH1 interaction may be the critical event responsible for cancer predisposition. 
         [0154]    Despite the fact that mutations in BRCA1 ultimately predispose women to cancer, wild-type BRCA1 paradoxically constitutes a target for anti-cancer therapy. Given the importance of BRCA1 in homologous recombination and DNA repair, disruption of the pSer-binding function would be expected to result in enhanced sensitivity to chemotherapy and radiation, as has been observed in BRCA1 null murine embryonic stem cells. The structural delineation of the pSer binding surface provides a new target for rational drug design. 
       Protein Cloning, Expression, and Purification 
       [0155]    For crystallization experiments, human BRCA1 BRCTs (residues 1646-1859) (SEQ ID NO.: 4) were expressed as glutathione S-transferase (GST) fusions in pGEX-4T1 (Amersham Pharmacia Biotech) in  Escherichia coli  BL21 at 18° C. The GST was removed by 48-hour treatment with thrombin before gel filtration. A BRCA1 BRCT clone (residues 1313-1863) (SEQ ID NO.: 3) in pcDNA3 containing a N-terminal Myc-tag and a SV40 nuclear localization sequence was used for the co-immunoprecipitation and immunofluorescence assays. Mutations were generated using the Stratagene Quick Change Mutagenesis Kit, and verified by sequencing. The pGEX-BRCA1 BRCT clone (residues 1633-1863) (SEQ ID NO.: 8) was described previously and was used for the peptide filter array. Induction of recombinant GST-BRCA1 BRCT domain protein was performed at 37° C. for 3 hrs in the presence of 0.4 mM IPTG. The GST-BRCA1 BRCT domains were isolated from bacterial lysates using glutathione agarose, followed by elution with 40 mM glutathione, 50 mM Tris/HCl (pH 8.1), and dialysis into 50 mM Tris/HCl (pH 8.1), 300 mM NaCl. 
       Crystallization and Structure Determination 
       [0156]    Crystals were grown at 18° C. by microbatch methods. The BACH1 phosphopeptide (SRSTpS 990 PTFNK) was mixed with the BRCA1 BRCTs in a 1.5:1 stoichiometric excess and concentrated to 0.35 mM in a buffer containing 50 mM Tris-HCl (pH 7.5), 0.4M NaCl, and 3 mM DTT. Crystals grew from 50 mM MES (pH 6.5), 0.1 M (NH 4 ) 2 SO 4 , and 13% PEG 8K (w/v). Crystals belonged to the trigonal space group P3 2 21 (a=b=65.8 Å, c=93.1 Å, α=β=90.0°, γ=120.0°) with one complex in the asymmetric unit. Data were collected from flash-cooled crystals at 100K on a Raxis-II detector mounted on a Rigaku RU200 generator. Diffraction data were integrated and scaled using DENZO and SCALEPACK. The structure was solved by molecular replacement using the coordinates 1JNX.brk as a model with AMORE (CCP4 1994). Subsequent refinement was carried out using REFMAC5 (CCP4 1994) and manual model building in O. Figures were constructed using Pymol. 
       Peptide Binding 
       [0157]    An optimal phosphopeptide for binding the BRCA1 BRCTs was determined by oriented peptide library screening as described previously. This peptide was synthesized in both its phosphorylated and non-phosphorylated form with a biotin group at the N-terminus using N-α-FMOC-protected amino acids and standard BOP/HOBt coupling chemistry. These peptides were conjugated to streptavidin coated beads (Sigma-Aldrich). The wild-type and mutant BRCA1 BRCT domain-containing constructs (residues 1313-1863) were transcribed and translated in vitro in the presence of [ 35 S]-methionine using the TNT kit (Promega). The bead-immobilized peptides (10 μL of beads) were added to 10 μL of the in vitro translated [ 35 S]-labeled protein pool in 150 μL binding buffer (50 mM Tris-HCl (pH7.6), 150 mM NaCl, 0.5% NP-40, 1 mM EDTA, 2 mM DTT, 8 μg/mL pepstatin, 8 μg mL-1 aprotinin, 8 μg 1 mL −1  leupeptin, 800 μM Na 3 VO4, 25 mM NaF). After incubation at 4° C. for 3 hours, the beads were washed three times with 200 μL of binding buffer prior to analysis by SDS-PAGE (12.5% (w/v)) and autoradiography. 
       Peptide Filter Array 
       [0158]    An ABIMED peptide arrayer with a computer controlled Gilson diluter and liquid handling robot was used to synthesize peptides onto an amino-PEG cellulose membrane using N-α-FMOC-protected amino acids and DIC/HOBT coupling chemistry. The membranes were blocked in 5% (w/v) milk in Tris-buffered saline containing 0.1% (v/v) Tween-20 (TBS-T) for 1 hr at room temperature, incubated with 0.025 μM GST-BRCA1 BRCTs or 0.25 μM GST-BRCA1 BRCTs M1775R (residues 1633-1863) in 5% (w/v) milk, 50 mM Tris-HCl (pH 7.6), 150 mM NaCl, 2 mM EDTA, 2 mM DTT for 1 hr at room temperature and washed four times with TBS-T. The membranes were then incubated with anti-GST conjugated HRP (Amersham) in 5% (w/v) milk/TBS-T for 1 hr at room temperature, washed five times with TBS-T, and binding analysed by ECL (Perkin-Elmer). 
       Co-Immunoprecipitation of BRCA1 BRCTs and BACH1 
       [0159]    U2OS cells were grown to 50% confluency in 100 cm 2  dishes and transfected with the myc-tagged wild-type or mutant BRCA1 BRCT constructs (residues 1313-1863) (SEQ ID NO.: 6) using FuGene6 transfection reagent (Roche) according to manufacturer&#39;s protocol. Cells were collected 30 hrs following transfection, lysed in lysis buffer (50 mM Tris-HCl (pH7.6), 150 mM NaCl, 1.0% NP-40, 5 mM EDTA, 2 mM DTT, 8 μg/mL AEBSF, 8 μg mL −1  aprotinin, 8 μg mL-1 leupeptin, 2 mM Na 3 VO 4 , 10 mM NaF and the phosphatase inhibitors microcystin and okadaic acid). Lysates containing equal amounts of protein (3 mg) was incubated with 3 μL of a mouse anti-myc antibody (Cell Signaling) for 2 hr at 4° C. and then 10 μL of protein G-sepharose beads (Sigma-Aldrich) were added and samples incubated for an additional 2 hr at 4° C. Beads were washed four times with lysis buffer, bound proteins eluted in SDS-PAGE sample buffer, analysed on 6% polyacrylamide gels, transferred to PVDF membrane, and detected by blotting with rabbit anti-BACH1 antibody. A portion of the lysates were also run and blotted with the anti-BACH1 antibody and the anti-myc antibody to further ensure equal protein loading. 
       Immunofluorescence and Microscopy 
       [0160]    U2OS cells were seeded onto 18 mm 2  coverslips and transfected with the BRCA1 BRCT construct (residues 1313-1863) and various mutants using FuGene6 transfection reagent (Roche) according to manufacturer&#39;s protocol. Thirty hours following transfection, the cells were either treated with 10 Gy of ionizing radiation or mock irradiated and allowed to recover for 120 minutes. Cells were fixed in 3% (v/v) paraformaldehyde/2% (w/v) sucrose for 15 min at RT and permeabilized with a 0.5% (v/v) Triton X-100 solution containing 20 mM Tris-HCl (pH 7.8), 75 mM NaCl, 300 mM sucrose, and 3 mM MgCl 2  for 15 min at RT. When necessary, proteins were extracted after IR treatment as described previously. In brief, cells were incubated with extraction buffer (10 mM PIPES pH6.8, 100 mM NaCl, 300 mM sucrose, 3 mM MgCl 2 , 1 mM EGTA, 0.5% (v/v) Triton X-100) for 5 minutes on ice followed by incubation with extraction stripping buffer (10 mM Tris-HCl pH 7.4, 10 mM NaCl, 3 mM MgCl 2 , 0.5% (v/v) Triton X-100) for 5 minutes on ice followed by successive washes in ice cold PBS. Slides were fixed as above, stained with primary antibodies at 37° C. for 20 min, then stained with a anti-mouse or anti-rabbit secondary antibody for 20 min (Molecular Probes) at 37° C. Primary antibodies used were mouse anti-myc (Cell Signaling) and rabbit anti-(pSer/pThr)Gln (Cell Signaling). Images were collected on a Axioplan2 microscope (Carl Zeiss) and processed using OpenLab software (Improvision). 
       Coordinates 
       [0161]    The atomic coordinates and structure factors have been deposited in the Protein Data Bank (Accession code 1T15). This information is shown in Table 2 (SEQ ID NOs.: 4 and 29). 
         [0000]    
       
         
               
             
               
               
               
             
           
               
                 TABLE 1 
               
               
                   
               
               
                 Summary of crystallographic analysis. 
               
               
                   
               
             
             
               
                   
               
             
          
           
               
                   
                 Data Collection: 
                   
               
               
                   
                 Space group 
                 P3 2 21 
               
               
                   
                 Unit cell dimensions 
                 a = b = 65.8 Å, c = 93.1 Å, 
               
               
                   
                   
                 α = β = 90°, γ = 120° 
               
               
                   
                 Resolution range (Å) 
                 15.0-1.85 
               
               
                   
                 Completeness (%) 
                 93.9 
               
               
                   
                 Total observations 
                 165,151 
               
               
                   
                 Unique reflections 
                 19,219 
               
               
                   
                 Average I/σ(I) 
                 35.6 
               
               
                   
                 R sym * (%) 
                 5.4 
               
               
                   
                 Model refinement: 
               
               
                   
                 Resolution (Å) 
                 15.0-1.85 
               
               
                   
                 No. of reflections (free) 
                 18,225 (911) 
               
               
                   
                 R work /R free   §  (%) 
                 20.6/22.2 
               
               
                   
                 No. of protein atoms 
                 1,750 
               
               
                   
                 No. of water atoms 
                 157 
               
               
                   
                 rms deviations 
               
               
                   
                 bonds (Å) 
                 0.01 
               
               
                   
                 angles (°) 
                 1.35 
               
               
                   
                   
               
               
                   
                 Details of the crystallization and structure determination are provided in the supplementary information. 
               
               
                   
                 *R sym  = Σ j                       − I j |/Σ                     where I j  is the intensity of the j th  reflection and                      is the average intensity. 
               
               
                   
                   § R work  = Σ hkl |F obs  − F calc |/Σ hkl  F obs , where R free  is equivalent to R work  but is calculated for a randomly chosen 5% of reflections omitted from the refinement process. 
               
             
          
         
       
     
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                 TABLE 2 
               
               
                   
               
             
             
               
                 HEADER 
                   
                 ANTITUMOR PROTEIN              15-APR-04   1T15 
               
               
                 TITLE 
                   
                 CRYSTAL STRUCTURE OF THE BRCA1 BRCT DOMAINS IN COMPLEX WITH 
               
               
                 TITLE 
                  2 
                  THE PHOSPHORYLATED INTERACTING REGION FROM BACH1 HELICASE 
               
               
                 COMPND 
                   
                 MOL_ID: 1; 
               
               
                 COMPND 
                  2 
                  MOLECULE: BREAST CANCER TYPE 1 SUSCEPTIBILITY PROTEIN; 
               
               
                 COMPND 
                  3 
                  CHAIN: A; 
               
               
                 COMPND 
                  4 
                  FRAGMENT: BCRT 1, BCRT 2; 
               
               
                 COMPND 
                  5 
                  ENGINEERED: YES; 
               
               
                 COMPND 
                  6 
                  MOL_ID: 2; 
               
               
                 COMPND 
                  7 
                  MOLECULE: BRCA1 INTERACTING PROTEIN C-TERMINAL HELICASE 1; 
               
               
                 COMPND 
                  8 
                  CHAIN: B; 
               
               
                 COMPND 
                  9 
                  ENGINEERED: YES 
               
               
                 SOURCE 
                   
                 MOL_ID: 1; 
               
               
                 SOURCE 
                  2 
                  ORGANISM_SCIENTIFIC:  HOMO SAPIENS;   
               
               
                 SOURCE 
                  3 
                  ORGANISM_COMMON: HUMAN; 
               
               
                 SOURCE 
                  4 
                  GENE: BRCA1; 
               
               
                 SOURCE 
                  5 
                  EXPRESSION_SYSTEM:  ESCHERICIA COLI;   
               
               
                 SOURCE 
                  6 
                  EXPRESSION_SYSTEM_STRAIN: BL21; 
               
               
                 SOURCE 
                  7 
                  EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 
               
               
                 SOURCE 
                  8 
                  EXPRESSION_SYSTEM_PLASMID: PGEX-4T1; 
               
               
                 SOURCE 
                  9 
                  MOL_ID: 2; 
               
               
                 SOURCE 
                 10 
                  SYNTHETIC: YES 
               
               
                 KEYWDS 
                   
                 PROTEIN-PEPTIDE COMPLEX 
               
               
                 EXPDTA 
                   
                 X-RAY DIFFRACTION 
               
               
                 AUTHOR 
                  2 
                 J. A. CLAPPERTON, I. A. MANKE, D. M. LOWERY, T. HO, L. F. HAIRE, 
               
               
                 AUTHOR 
                   
                  M. B. YAFFE, S. J. SMERDON 
               
             
          
           
               
                 JRNL 
                   
                  AUTH 
                   
                 J. A. CLAPPERTON, I. A. MANKE, D. M. LOWERY, T. HO, L. F. HAIRE, 
               
               
                 JRNL 
                   
                  AUTH 
                 2 
                 M. B. YAFFE, S. J. SMERDON 
               
               
                 JRNL 
                   
                  TITL 
                   
                 STRUCTURE AND MECHANISM OF BRCA1 BRCT DOMAIN 
               
               
                 JRNL 
                   
                  TITL 
                 2 
                 RECOGNITION OF PHOSPHORYLATED BACH1 WITH 
               
               
                 JRNL 
                   
                  TITL 
                 3 
                 IMPLICATIONS FOR CANCER 
               
               
                 JRNL 
                   
                  REF 
                   
                 TO BE PUBLISHED 
               
               
                 JRNL 
                   
                  REFN 
               
             
          
           
               
                 REMARK 
                  1 
                   
               
               
                 REMARK 
                  2 
               
               
                 REMARK 
                  2 
                  RESOLUTION. 1.85 ANGSTROMS. 
               
               
                 REMARK 
                  3 
               
               
                 REMARK 
                  3 
                  REFINEMENT. 
               
             
          
           
               
                 REMARK 
                  3 
                   PROGRAM 
                 : REFMAC 5.0 
               
               
                 REMARK 
                  3 
                   AUTHORS 
                 : MURSHUDOV, VAGIN, DODSON 
               
               
                 REMARK 
                  3 
               
             
          
           
               
                 REMARK 
                  3 
                   REFINEMENT TARGET: ENGH &amp; HUBER 
               
               
                 REMARK 
                  3 
               
               
                 REMARK 
                  3 
                  DATA USED IN REFINEMENT. 
               
             
          
           
               
                 REMARK 
                  3 
                   RESOLUTION RANGE HIGH 
                 (ANGSTROMS) 
                  : 1.85 
               
               
                 REMARK 
                  3 
                   RESOLUTION RANGE LOW 
                 (ANGSTROMS) 
                  : 15.00 
               
               
                 REMARK 
                  3 
                   DATA CUTOFF 
                 (SIGMA(F)) 
                  : 0.000 
               
               
                 REMARK 
                  3 
                   COMPLETENESS FOR RANGE 
                 (%) 
                  : NULL 
               
               
                 REMARK 
                  3 
                   NUMBER OF REFLECTIONS 
                   
                  : 18242 
               
               
                 REMARK 
                  3 
               
             
          
           
               
                 REMARK 
                  3 
                 FIT TO DATA USED IN REFINEMENT. 
                   
               
               
                 REMARK 
                  3 
                   CROSS-VALIDATION METHOD 
                 : NULL 
               
               
                 REMARK 
                  3 
                   FREE R VALUE TEST SET SELECTION 
                 : RANDOM 
               
               
                 REMARK 
                  3 
                   R VALUE    (WORKING + TEST SET) 
                 : NULL 
               
             
          
           
               
                 REMARK 
                 3 
                  R VALUE 
                 (WORKING SET) 
                 : 0.206 
               
               
                 REMARK 
                 3 
                  FREE R VALUE 
                   
                 : 0.222 
               
             
          
           
               
                 REMARK 
                 3 
                  FREE R VALUE TEST SET SIZE 
                 (%) 
                 : 5.100 
               
               
                 REMARK 
                 3 
                  FREE R VALUE TEST SET COUNT 
                   
                 : 972 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                  FIT IN THE HIGHEST RESOLUTION BIN. 
               
             
          
           
               
                 REMARK 
                 3 
                  TOTAL NUMBER OF BINS USED 
                 : NULL 
               
               
                 REMARK 
                 3 
                  BIN RESOLUTION RANGE HIGH 
                 : NULL 
               
               
                 REMARK 
                 3 
                  BIN RESOLUTION RANGE LOW 
                 : NULL 
               
             
          
           
               
                 REMARK 
                 3 
                  REFLECTION IN BIN 
                 (WORKING SET) 
                 : NULL 
               
               
                 REMARK 
                 3 
                  BIN COMPLETENESS 
                 (WORKING + TEST) (%) 
                 : NULL 
               
               
                 REMARK 
                 3 
                  BIN R VALUE 
                 (WORKING SET) 
                 : NULL 
               
             
          
           
               
                 REMARK 
                 3 
                  BIN FREE R VALUE SET COUNT 
                 : NULL 
               
               
                 REMARK 
                 3 
                  BIN FREE R VALUE 
                 : NULL 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. 
               
               
                 REMARK 
                 3 
                  ALL ATOMS        : 1906 
               
               
                 REMARK 
                 3 
               
               
                 REMARK 
                 3 
                  B VALUES. 
               
             
          
           
               
                 REMARK 
                 3 
                  FROM WILSON PLOT 
                 (A**2) 
                 : NULL 
               
               
                 REMARK 
                 3 
                  MEAN B VALUE 
                 (OVERALL, A**2) 
                 : NULL 
               
             
          
           
               
                 REMARK 
                 3 
                  OVERALL ANISOTROPIC B VALUE. 
               
               
                 REMARK 
                 3 
                   B11 (A**2) : NULL 
               
               
                 REMARK 
                 3 
                   B22 (A**2) : NULL 
               
               
                 REMARK 
                 3 
                   B33 (A**2) : NULL 
               
               
                 REMARK 
                 3 
                   B12 (A**2) : NULL 
               
               
                 REMARK 
                 3 
                   B13 (A**2) : NULL 
               
               
                 REMARK 
                 3 
                   B23 (A**2) : NULL 
               
               
                 REMARK 
                 3 
               
               
                 REMARK 
                 3 
                  ESTIMATED OVERALL COORDINATE ERROR. 
               
             
          
           
               
                 REMARK 
                 3 
                  ESU BASED ON R VALUE 
                 (A) 
                 : NULL 
               
               
                 REMARK 
                 3 
                  ESU BASED ON FREE R VALUE 
                 (A) 
                 : NULL 
               
               
                 REMARK 
                 3 
                  ESU BASED ON MAXIMUM LIKELIHOOD 
                 (A) 
                 : NULL 
               
               
                 REMARK 
                 3 
                  ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD 
                 (A**2) 
                 : NULL 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                 CORRELATION COEFFICIENTS. 
                   
               
               
                 REMARK 
                 3 
                  CORRELATION COEFFICIENT FO-FC 
                 : NULL 
               
               
                 REMARK 
                 3 
                  CORRELATION COEFFICIENT FO-FC FREE 
                 : NULL 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                  RMS DEVIATIONS FROM IDEAL VALUES 
                   
                 COUNT 
                  RMS 
                 WEIGHT 
               
               
                 REMARK 
                 3 
                  BOND LENGTHS REFINED ATOMS 
                 (A) 
                 :  NULL; 
                 0.010; 
                  NULL 
               
               
                 REMARK 
                 3 
                  BOND LENGTHS OTHERS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  BOND ANGLES REFINED ATOMS 
                 (DEGREES) 
                 :  NULL; 
                 1.350; 
                  NULL 
               
               
                 REMARK 
                 3 
                  BOND ANGLES OTHERS 
                 (DEGREES) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  TORSION ANGLES, PERIOD 1 
                 (DEGREES) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  TORSION ANGLES, PERIOD 2 
                 (DEGREES) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  TORSION ANGLES, PERIOD 3 
                 (DEGREES) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  TORSION ANGLES, PERIOD 4 
                 (DEGREES) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  CHIRAL-CENTER RESTRAINTS 
                 (A**3) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  GENERAL PLANES REFINED ATOMS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  GENERAL PLANES OTHERS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  NON-BONDED CONTACTS REFINED ATOMS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  NON-BONDED CONTACTS OTHERS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  NON-BONDED TORSION REFINED ATOMS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  NON-BONDED TORSION OTHERS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  H-BOND (X . . . Y) REFINED ATOMS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
               
                 REMARK 
                 3 
                  H-BOND (X . . . Y) OTHERS 
                 (A) 
                 :  NULL; 
                  NULL; 
                  NULL 
               
             
          
           
               
                 REMARK 
                 3 
                  POTENTIAL METAL-ION REFINED ATOMS 
                 (A): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  POTENTIAL METAL-ION OTHERS 
                 (A): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SYMMETRY VDW REFINED ATOMS 
                 (A): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SYMMETRY VDW OTHERS 
                 (A): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SYMMETRY H-BOND REFINED ATOMS 
                 (A): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SYMMETRY H-BOND OTHERS 
                 (A): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                  ISOTROPIC THERMAL FACTOR RESTRAINTS. 
                 COUNT RMS   WEIGHT 
               
             
          
           
               
                 REMARK 
                 3 
                  MAIN-CHAIN BOND REFINED ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  MAIN-CHAIN BOND OTHER ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  MAIN-CHAIN ANGLE REFINED ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SIDE-CHAIN BOND REFINED ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SIDE-CHAIN ANGLE REFINED ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                 ANISOTROPIC THERMAL FACTOR RESTRAINTS. 
                 COUNT RMS  WEIGHT 
               
             
          
           
               
                 REMARK 
                 3 
                  RIGID-BOND RESTRAINTS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SPHERICITY; FREE ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
                  SPHERICITY; BONDED ATOMS 
                 (A**2): 
                 NULL ; NULL ; NULL 
               
               
                 REMARK 
                 3 
               
             
          
           
               
                 REMARK 
                 3 
                  NCS RESTRAINTS STATISTICS 
               
               
                 REMARK 
                 3 
                  NUMBER OF DIFFERENT NCS GROUPS : 0 
               
               
                 REMARK 
                 3 
               
               
                 REMARK 
                 3 
                  TLS DETAILS 
               
               
                 REMARK 
                 3 
                  NUMBER OF TLS GROUPS : 0 
               
               
                 REMARK 
                 3 
               
               
                 REMARK 
                 3 
                  BULK SOLVENT MODELLING. 
               
               
                 REMARK 
                 3 
                  METHOD USED: NULL 
               
               
                 REMARK 
                 3 
                  PARAMETERS FOR MASK CALCULATION 
               
             
          
           
               
                 REMARK 
                 3 
                  VDW PROBE RADIUS 
                 : NULL 
               
               
                 REMARK 
                 3 
                  ION PROBE RADIUS 
                 : NULL 
               
               
                 REMARK 
                 3 
                  SHRINKAGE RADIUS 
                 : NULL 
               
             
          
           
               
                 REMARK 
                 3 
                   
               
               
                 REMARK 
                 3 
                  OTHER REFINEMENT REMARKS: NULL 
               
               
                 REMARK 
                 4 
               
               
                 REMARK 
                 4 
                 1T15 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 
               
               
                 REMARK 
                 100 
               
               
                 REMARK 
                 100 
                 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-APR-2004. 
               
               
                 REMARK 
                 100 
                 THE RCSB ID CODE IS RCSB022182. 
               
               
                 REMARK 
                 200 
               
               
                 REMARK 
                 200 
                 EXPERIMENTAL DETAILS 
               
             
          
           
               
                 REMARK 
                 200 
                  EXPERIMENT TYPE 
                   
                 : X-RAY DIFFRACTION 
               
               
                 REMARK 
                 200 
                  DATE OF DATA COLLECTION 
                   
                 : 17-JAN-2004 
               
               
                 REMARK 
                 200 
                  TEMPERATURE 
                 (KELVIN) 
                 : 100.0 
               
               
                 REMARK 
                 200 
                  PH 
                   
                 : 6.50 
               
             
          
           
               
                 REMARK 
                 200 
                  NUMBER OF CRYSTALS USED 
                 : 1 
               
             
          
           
               
                 REMARK 
                 200 
                   
                   
                   
               
               
                 REMARK 
                 200 
                  SYNCHROTRON 
                 (Y/N) 
                 : N 
               
               
                 REMARK 
                 200 
                  RADIATION SOURCE 
                   
                 : ROTATING ANODE 
               
               
                 REMARK 
                 200 
                  BEAMLINE 
                   
                 : NULL 
               
               
                 REMARK 
                 200 
                  X-RAY GENERATOR MODEL 
                   
                 : NULL 
               
               
                 REMARK 
                 200 
                  MONOCHROMATIC OR LAUE 
                 (M/L) 
                 : M 
               
               
                 REMARK 
                 200 
                  WAVELENGTH OR RANGE 
                 (A) 
                 : NULL 
               
               
                 REMARK 
                 200 
                  MONOCHROMATOR 
                   
                 : NULL 
               
               
                 REMARK 
                 200 
                  OPTICS 
                   
                 : NULL 
               
               
                 REMARK 
                 200 
               
               
                 REMARK 
                 200 
                  DETECTOR TYPE 
                   
                 : IMAGE PLATE 
               
               
                 REMARK 
                 200 
                  DETECTOR MANUFACTURER 
                   
                 : RIGAKU RAXIS II 
               
             
          
           
               
                 REMARK 
                 200 
                 INTENSITY-INTEGRATION SOFTWARE 
                 : 
                 DENZO 
               
               
                 REMARK 
                 200 
                 DATA SCALING SOFTWARE 
                 : 
                 SCALEPACK 
               
               
                 REMARK 
                 200 
               
               
                 REMARK 
                 200 
                 NUMBER OF UNIQUE REFLECTIONS 
                 : 
                 19219 
               
             
          
           
               
                 REMARK 
                 200 
                 RESOLUTION RANGE HIGH 
                 (A) 
                 : 
                 1.850 
               
               
                 REMARK 
                 200 
                 RESOLUTION RANGE LOW 
                 (A) 
                 : 
                 15.000 
               
             
          
           
               
                 REMARK 
                 200 
                 REJECTION CRITERIA (SIGMA(I)) 
                 : 
                 2.500 
               
               
                 REMARK 
                 200 
               
             
          
           
               
                 REMARK 
                 200 
                 OVERALL. 
               
             
          
           
               
                 REMARK 
                 200 
                 COMPLETENESS FOR RANGE 
                 (%) 
                 : 
                 93.9 
               
               
                 REMARK 
                 200 
                 DATA REDUNDANCY 
                   
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
                 R MERGE 
                 (I) 
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
                 R SYM 
                 (I) 
                 : 
                 NULL 
               
             
          
           
               
                 REMARK 
                 200 
                 &lt;I/SIGMA(I)&gt; FOR THE DATA SET 
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
               
             
          
           
               
                 REMARK 
                 200 
                 IN THE HIGHEST RESOLUTION SHELL. 
               
             
          
           
               
                 REMARK 
                 200 
                 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 
               
               
                 REMARK 
                 200 
                 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.93 
               
             
          
           
               
                 REMARK 
                 200 
                 COMPLETENESS FOR SHELL 
                 (%) 
                 : 
                 76.8 
               
               
                 REMARK 
                 200 
                 DATA REDUNDANCY IN SHELL 
                   
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
                 R MERGE FOR SHELL 
                 (I) 
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
                 R SYM FOR SHELL 
                 (I) 
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
                 &lt;I/SIGMA(I)&gt; FOR SHELL 
                   
                 : 
                 NULL 
               
               
                 REMARK 
                 200 
               
             
          
           
               
                 REMARK 
                 200 
                 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH 
               
               
                 REMARK 
                 200 
                 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT 
               
               
                 REMARK 
                 200 
                 SOFTWARE USED: AMORE 
               
               
                 REMARK 
                 200 
                 STARTING MODEL: NULL 
               
               
                 REMARK 
                 200 
               
               
                 REMARK 
                 200 
                 REMARK: NULL 
               
               
                 REMARK 
                 280 
               
               
                 REMARK 
                 280 
                 CRYSTAL 
               
               
                 REMARK 
                 280 
                 SOLVENT CONTENT, VS  (%): NULL 
               
               
                 REMARK 
                 280 
                 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL 
               
               
                 REMARK 
                 280 
               
               
                 REMARK 
                 280 
                 CRYSTALLIZATION CONDITIONS: PEG 8000, AMMONIUM SULPHATE, MES, 
               
               
                 REMARK 
                 280 
                  PH 6.5, MICROBATCH, TEMPERATURE 291 K 
               
               
                 REMARK 
                 290 
               
               
                 REMARK 
                 290 
                 CRYSTALLOGRAPHIC SYMMETRY 
               
               
                 REMARK 
                 290 
                 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 
               
               
                 REMARK 
                 290 
               
             
          
           
               
                 REMARK 
                 290 
                 SYMOP 
                 SYMMETRY 
               
               
                 REMARK 
                 290 
                 NNNMMM 
                 OPERATOR 
               
               
                 REMARK 
                 290 
                 1555 
                 X, Y, Z 
               
               
                 REMARK 
                 290 
                 2555 
                 −Y, X − Y, ⅔ + Z 
               
               
                 REMARK 
                 290 
                 3555 
                 −X + Y, −X, ⅓ + Z 
               
               
                 REMARK 
                 290 
                 4555 
                 Y, X, −Z 
               
               
                 REMARK 
                 290 
                 5555 
                 X − Y, −Y, ⅓ − Z 
               
               
                 REMARK 
                 290 
                 6555 
                 −X, −X + Y, ⅔ − Z 
               
               
                 REMARK 
                 290 
               
             
          
           
               
                 REMARK 
                 290 
                 WHERE 
                 NNN -&gt; OPERATOR NUMBER 
               
               
                 REMARK 
                 290 
                   
                 MMM -&gt; TRANSLATION VECTOR 
               
               
                 REMARK 
                 290 
               
             
          
           
               
                 REMARK 
                 290 
                 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS 
               
               
                 REMARK 
                 290 
                 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM 
               
               
                 REMARK 
                 290 
                 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY 
               
               
                 REMARK 
                 290 
                 RELATED MOLECULES. 
               
             
          
           
               
                 REMARK 
                 290 
                 SMTRY1 
                 1 
                 1.000000 
                 0.000000 
                 0.000000 
                   
                 0.00000 
                   
               
               
                 REMARK 
                 290 
                 SMTRY2 
                 1 
                 0.000000 
                 1.000000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY3 
                 1 
                 0.000000 
                 0.000000 
                 1.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY1 
                 2 
                 −0.500000 
                 −0.866025 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY2 
                 2 
                 0.866025 
                 −0.500000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY3 
                 2 
                 0.000000 
                 0.000000 
                 1.000000 
                   
                 62.05000 
               
               
                 REMARK 
                 290 
                 SMTRY1 
                 3 
                 −0.500000 
                 0.866025 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY2 
                 3 
                 −0.866025 
                 −0.500000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY3 
                 3 
                 0.000000 
                 0.000000 
                 1.000000 
                   
                 31.02500 
               
               
                 REMARK 
                 290 
                 SMTRY1 
                 4 
                 −0.500000 
                 0.866025 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY2 
                 4 
                 0.866025 
                 0.500000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY3 
                 4 
                 0.000000 
                 0.000000 
                 −1.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY1 
                 5 
                 1.000000 
                 0.000000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY2 
                 5 
                 0.000000 
                 −1.000000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY3 
                 5 
                 0.000000 
                 0.000000 
                 −1.000000 
                   
                 31.02500 
               
               
                 REMARK 
                 290 
                 SMTRY1 
                 6 
                 −0.500000 
                 −0.866025 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY2 
                 6 
                 −0.866025 
                 0.500000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 290 
                 SMTRY3 
                 6 
                 0.000000 
                 0.000000 
                 −1.000000 
                   
                 62.05000 
               
               
                 REMARK 
                 290 
               
             
          
           
               
                 REMARK 
                 290 
                 REMARK: NULL 
               
               
                 REMARK 
                 300 
               
               
                 REMARK 
                 300 
                 BIOMOLECULE: 1 
               
               
                 REMARK 
                 300 
                 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT 
               
               
                 REMARK 
                 300 
                 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR 
               
               
                 REMARK 
                 300 
                 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). 
               
               
                 REMARK 
                 350 
               
               
                 REMARK 
                 350 
                 GENERATING THE BIOMOLECULE 
               
               
                 REMARK 
                 350 
                 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN 
               
               
                 REMARK 
                 350 
                 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE 
               
               
                 REMARK 
                 350 
                 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS 
               
               
                 REMARK 
                 350 
                 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND 
               
               
                 REMARK 
                 350 
                 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. 
               
               
                 REMARK 
                 350 
               
               
                 REMARK 
                 350 
                 BIOMOLECULE: 1 
               
               
                 REMARK 
                 350 
                 APPLY THE FOLLOWING TO CHAINS: A, B 
               
             
          
           
               
                 REMARK 
                 350 
                 BIOMT1 
                 1 
                 1.000000 
                 0.000000 
                 0.000000 
                   
                 0.00000 
                   
               
               
                 REMARK 
                 350 
                 BIOMT2 
                 1 
                 0.000000 
                 1.000000 
                 0.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 350 
                 BIOMT3 
                 1 
                 0.000000 
                 0.000000 
                 1.000000 
                   
                 0.00000 
               
               
                 REMARK 
                 465 
               
             
          
           
               
                 REMARK 
                 465 
                 MISSING RESIDUES 
               
               
                 REMARK 
                 465 
                 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE 
               
               
                 REMARK 
                 465 
                 EXPERIMENT.  (M = MODEL NUMBER; RES = RESIDUE NAME; C= CHAIN 
               
               
                 REMARK 
                 465 
                 IDENTIFIER;  SSSEQ = SEQUENCE NUMBER; I = INSERTION CODE.) 
               
               
                 REMARK 
                 465 
               
             
          
           
               
                 REMARK 
                 465 
                 M 
                 RES 
                 C 
                 SSSEQI 
                   
               
               
                 REMARK 
                 465 
                   
                 VAL 
                 A 
                 1646 
               
               
                 REMARK 
                 465 
                   
                 ASN 
                 A 
                 1647 
               
               
                 REMARK 
                 465 
                   
                 LYS 
                 A 
                 1648 
               
               
                 REMARK 
                 470 
               
             
          
           
               
                 REMARK 
                 470 
                 MISSING ATOM 
               
               
                 REMARK 
                 470 
                 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M = MODEL NUMBER; 
               
               
                 REMARK 
                 470 
                 RES = RESIDUE NAME; C = CHAIN IDENTIFIER; SSEQ = SEQUENCE NUMBER; 
               
               
                 REMARK 
                 470 
                 I = INSERTION CODE): 
               
             
          
           
               
                 REMARK 
                 470 
                 M 
                 RES 
                 CSSEQI 
                 ATOMS 
                   
                   
                   
               
               
                 REMARK 
                 470 
                   
                 GLU 
                 A1817 
                 CG 
                 CD 
                 OE1 
                 OE2 
               
               
                 REMARK 
                 470 
                   
                 ASP 
                 A1818 
                 CG 
                 OD1 
                 OD2 
               
               
                 REMARK 
                 470 
                   
                 ASN 
                 A1819 
                 CG 
                 OD1 
                 ND2 
               
               
                 REMARK 
                 500 
               
             
          
           
               
                 REMARK 
                 500 
                 GEOMETRY AND STEREOCHEMISTRY 
               
               
                 REMARK 
                 500 
                 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT 
               
               
                 REMARK 
                 500 
               
               
                 REMARK 
                 500 
                 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. 
               
               
                 REMARK 
                 500 
               
             
          
           
               
                 REMARK 
                 500 
                 ATM1 
                 RES 
                 C 
                 SSEQI 
                 ATM2 
                 RES 
                 C 
                 SSEQI 
                   
                   
               
               
                 REMARK 
                 500 
                 O 
                 GLU 
                 A 
                 1660 
                 O 
                 HOH 
                   
                 154 
                   
                 2.13 
               
             
          
           
               
                 DBREF 
                 1T15 
                 A 
                 1649 
                 1859 
                 SWS 
                 P38398 
                 BRC1_HUMAN 
                 1649 
                 1859 
                   
               
               
                 DBREF 
                 1T15 
                 B 
                 6 
                 13 
                 GB 
                 14042978 
                 NP_114432 
                 988 
                 995 
               
             
          
           
               
                 SEQADV 
                 1T15 
                 SEP 
                 B 
                 8 
                 GB 
                 14042978 
                 SER 
                 990 
                 MODIFIED RESIDUE 
               
             
          
           
               
                 SEQRES 
                  1 
                 A 
                 214 
                 VAL 
                 ASN 
                 LYS 
                 ARG 
                 MET 
                 SER 
                 MET 
                 VAL 
                 VAL 
                 SER 
                 GLY 
                 LEU 
                 THR 
               
               
                 SEQRES 
                  2 
                 A 
                 214 
                 PRO 
                 GLU 
                 GLU 
                 PHE 
                 MET 
                 LEU 
                 VAL 
                 TYR 
                 LYS 
                 PHE 
                 ALA 
                 ARG 
                 LYS 
               
               
                 SEQRES 
                  3 
                 A 
                 214 
                 HIS 
                 HIS 
                 ILE 
                 THR 
                 LEU 
                 THR 
                 ASN 
                 LEU 
                 ILE 
                 THR 
                 GLU 
                 GLU 
                 THR 
               
               
                 SEQRES 
                  4 
                 A 
                 214 
                 THR 
                 HIS 
                 VAL 
                 VAL 
                 MET 
                 LYS 
                 THR 
                 ASP 
                 ALA 
                 GLU 
                 PHE 
                 VAL 
                 CYS 
               
               
                 SEQRES 
                  5 
                 A 
                 214 
                 GLU 
                 ARG 
                 THR 
                 LEU 
                 LYS 
                 TYR 
                 PHE 
                 LEU 
                 GLY 
                 ILE 
                 ALA 
                 GLY 
                 GLY 
               
               
                 SEQRES 
                  6 
                 A 
                 214 
                 LYS 
                 TRP 
                 VAL 
                 VAL 
                 SER 
                 TYR 
                 PHE 
                 TRP 
                 VAL 
                 THR 
                 GLN 
                 SER 
                 ILE 
               
               
                 SEQRES 
                  7 
                 A 
                 214 
                 LYS 
                 GLU 
                 ARG 
                 LYS 
                 MET 
                 LEU 
                 ASN 
                 GLU 
                 HIS 
                 ASP 
                 PHE 
                 GLU 
                 VAL 
               
               
                 SEQRES 
                  8 
                 A 
                 214 
                 ARG 
                 GLY 
                 ASP 
                 VAL 
                 VAL 
                 ASN 
                 GLY 
                 ARG 
                 ASN 
                 HIS 
                 GLN 
                 GLY 
                 PRO 
               
               
                 SEQRES 
                  9 
                 A 
                 214 
                 LYS 
                 ARG 
                 ALA 
                 ARG 
                 GLU 
                 SER 
                 GLN 
                 ASP 
                 ARG 
                 LYS 
                 ILE 
                 PHE 
                 ARG 
               
               
                 SEQRES 
                  10 
                 A 
                 214 
                 GLY 
                 LEU 
                 GLU 
                 ILE 
                 CYS 
                 CYS 
                 TYR 
                 GLY 
                 PRO 
                 PHE 
                 THR 
                 ASN 
                 MET 
               
               
                 SEQRES 
                  11 
                 A 
                 214 
                 PRO 
                 THR 
                 ASP 
                 GLN 
                 LEU 
                 GLU 
                 TRP 
                 MET 
                 VAL 
                 GLN 
                 LEU 
                 CYS 
                 GLY 
               
               
                 SEQRES 
                  12 
                 A 
                 214 
                 ALA 
                 SER 
                 VAL 
                 VAL 
                 LYS 
                 GLU 
                 LEU 
                 SER 
                 SER 
                 PHE 
                 THR 
                 LEU 
                 GLY 
               
               
                 SEQRES 
                  13 
                 A 
                 214 
                 THR 
                 GLY 
                 VAL 
                 HIS 
                 PRO 
                 ILE 
                 VAL 
                 VAL 
                 VAL 
                 GLN 
                 PRO 
                 ASP 
                 ALA 
               
               
                 SEQRES 
                  14 
                 A 
                 214 
                 TRP 
                 THR 
                 GLU 
                 ASP 
                 ASN 
                 GLY 
                 PHE 
                 HIS 
                 ALA 
                 ILE 
                 GLY 
                 GLN 
                 MET 
               
               
                 SEQRES 
                  15 
                 A 
                 214 
                 CYS 
                 GLU 
                 ALA 
                 PRO 
                 VAL 
                 VAL 
                 THR 
                 ARG 
                 GLU 
                 TRP 
                 VAL 
                 LEU 
                 ASP 
               
               
                 SEQRES 
                  16 
                 A 
                 214 
                 SER 
                 VAL 
                 ALA 
                 LEU 
                 TYR 
                 GLN 
                 CYS 
                 GLN 
                 GLU 
                 LEU 
                 ASP 
                 THR 
                 TYR 
               
               
                 SEQRES 
                  17 
                 A 
                 214 
                 LEU 
                 ILE 
                 PRO 
                 GLN 
                 ILE 
                 PRO 
               
               
                 SEQRES 
                  1 
                 B 
                 8 
                 SER 
                 THR 
                 SEP 
                 PRO 
                 THR 
                 PHE 
                 ASN 
                 LYS 
               
             
          
           
               
                 MODRES 
                 1T15 
                 SEP 
                 B 
                 8 
                 SER 
                 PHOSPHOSERINE 
               
             
          
           
               
                 HET 
                 SEP 
                 B 
                 8 
                 10 
                   
               
             
          
           
               
                 HETNAM 
                 SEP 
                 PHOSPHOSERINE 
               
               
                 HETSYN 
                 SEP 
                 PHOSPHONOSERINE 
               
             
          
           
               
                 FORMUL 
                  2 
                 SEP 
                  C3 H8 N1 O6 P1 
               
               
                 FORMUL 
                  3 
                 HOH 
                 *156(H2 O1) 
               
             
          
           
               
                 HELIX 
                  1 
                 1 
                 THR 
                 A 
                 1658 
                 HIS 
                 A 
                 1673 
                 1 
                   
                 16 
               
               
                 HELIX 
                  2 
                 2 
                 THR 
                 A 
                 1700 
                 GLY 
                 A 
                 1709 
                 1 
                   
                 10 
               
               
                 HELIX 
                  3 
                 3 
                 TYR 
                 A 
                 1716 
                 GLU 
                 A 
                 1725 
                 1 
                   
                 10 
               
               
                 HELIX 
                  4 
                 4 
                 ASN 
                 A 
                 1730 
                 GLU 
                 A 
                 1735 
                 5 
                   
                 6 
               
               
                 HELIX 
                  5 
                 5 
                 GLN 
                 A 
                 1747 
                 GLU 
                 A 
                 1754 
                 1 
                   
                 8 
               
               
                 HELIX 
                  6 
                 6 
                 PRO 
                 A 
                 1776 
                 CYS 
                 A 
                 1787 
                 1 
                   
                 12 
               
               
                 HELIX 
                  7 
                 7 
                 GLU 
                 A 
                 1794 
                 PHE 
                 A 
                 1798 
                 5 
                   
                 5 
               
               
                 HELIX 
                  8 
                 8 
                 GLN 
                 A 
                 1811 
                 TRP 
                 A 
                 1815 
                 5 
                   
                 5 
               
               
                 HELIX 
                  9 
                 9 
                 ASP 
                 A 
                 1818 
                 ALA 
                 A 
                 1823 
                 5 
                   
                 6 
               
               
                 HELIX 
                  10 
                 10 
                 ARG 
                 A 
                 1835 
                 TYR 
                 A 
                 1845 
                 1 
                   
                 11 
               
               
                 HELIX 
                  11 
                 11 
                 LEU 
                 A 
                 1850 
                 LEU 
                 A 
                 1854 
                 5 
                   
                 5 
               
             
          
           
               
                 SHEET 
                  1 
                 A 
                 4 
                 THR 
                 A 
                 1675 
                 LEU 
                 A 
                 1676 
                 0 
                   
                   
                   
                   
                   
                   
                   
                   
               
               
                 SHEET 
                  2 
                 A 
                 4 
                 SER 
                 A 
                 1651 
                 SER 
                 A 
                 1655 
                 1 
                 N 
                 MET 
                 A 
                 1652 
                 O 
                 THR 
                 A 
                 1675 
               
               
                 SHEET 
                  3 
                 A 
                 4 
                 HIS 
                 A 
                 1686 
                 MET 
                 A 
                 1689 
                 1 
                 O 
                 VAL 
                 A 
                 1688 
                 N 
                 VAL 
                 A 
                 1653 
               
               
                 SHEET 
                  4 
                 A 
                 4 
                 TRP 
                 A 
                 1712 
                 SER 
                 A 
                 1715 
                 1 
                 O 
                 TRP 
                 A 
                 1712 
                 N 
                 VAL 
                 A 
                 1687 
               
               
                 SHEET 
                  1 
                 B 
                 2 
                 VAL 
                 A 
                 1696 
                 CYS 
                 A 
                 1697 
                 0 
               
               
                 SHEET 
                  2 
                 B 
                 2 
                 GLY 
                 A 
                 1738 
                 ASP 
                 A 
                 1739 
                 1 
                 O 
                 GLY 
                 A 
                 1738 
                 N 
                 CYS 
                 A 
                 1697 
               
               
                 SHEET 
                  1 
                 C 
                 4 
                 SER 
                 A 
                 1790 
                 VAL 
                 A 
                 1791 
                 0 
               
               
                 SHEET 
                  2 
                 C 
                 4 
                 GLU 
                 A 
                 1765 
                 CYS 
                 A 
                 1768 
                 1 
                 N 
                 ILE 
                 A 
                 1766 
                 O 
                 SER 
                 A 
                 1790 
               
               
                 SHEET 
                  3 
                 C 
                 4 
                 PRO 
                 A 
                 1806 
                 VAL 
                 A 
                 1810 
                 1 
                 O 
                 VAL 
                 A 
                 1809 
                 N 
                 CYS 
                 A 
                 1767 
               
               
                 SHEET 
                  4 
                 C 
                 4 
                 VAL 
                 A 
                 1832 
                 THR 
                 A 
                 1834 
                 1 
                 O 
                 VAL 
                 A 
                 1833 
                 N 
                 VAL 
                 A 
                 1808 
               
             
          
           
               
                 CISPEP 
                  1 
                 GLY 
                 A 
                 1770 
                 PRO 
                 A 
                 1771 
                 0 
                 6.36 
                   
               
             
          
           
               
                 CRYST1 
                 65.837 
                 65.837 
                 93.075 
                 90.00 
                 90.00 
                 120.00 
                 P 32 2 1 
                 6 
                   
               
             
          
           
               
                 ORIGX1 
                 1.000000 
                 0.000000 
                 0.000000 
                   
                 0.00000 
                   
               
               
                 ORIGX2 
                 0.000000 
                 1.000000 
                 0.000000 
                   
                 0.00000 
               
               
                 ORIGX3 
                 0.000000 
                 0.000000 
                 1.000000 
                   
                 0.00000 
               
               
                 SCALE1 
                 0.015189 
                 0.008769 
                 0.000000 
                   
                 0.00000 
               
               
                 SCALE2 
                 0.000000 
                 0.017539 
                 0.000000 
                   
                 0.00000 
               
               
                 SCALE3 
                 0.000000 
                 0.000000 
                 0.010744 
                   
                 0.00000 
               
             
          
           
               
                 ATOM 
                 1 
                 N 
                 ARG 
                 A 
                 1649 
                 21.350 
                 25.980 
                 38.428 
                 1.00 
                 37.86 
                 N 
               
               
                 ATOM 
                 2 
                 CA 
                 ARG 
                 A 
                 1649 
                 21.167 
                 25.508 
                 37.034 
                 1.00 
                 38.58 
                 C 
               
               
                 ATOM 
                 3 
                 C 
                 ARG 
                 A 
                 1649 
                 19.696 
                 25.211 
                 36.751 
                 1.00 
                 37.92 
                 C 
               
               
                 ATOM 
                 4 
                 O 
                 ARG 
                 A 
                 1649 
                 18.984 
                 26.111 
                 36.309 
                 1.00 
                 39.23 
                 O 
               
               
                 ATOM 
                 5 
                 CB 
                 ARG 
                 A 
                 1649 
                 22.041 
                 24.284 
                 36.737 
                 1.00 
                 38.99 
                 C 
               
               
                 ATOM 
                 6 
                 CG 
                 ARG 
                 A 
                 1649 
                 22.206 
                 24.018 
                 35.247 
                 1.00 
                 40.19 
                 C 
               
               
                 ATOM 
                 7 
                 CD 
                 ARG 
                 A 
                 1649 
                 23.156 
                 24.960 
                 34.544 
                 1.00 
                 41.68 
                 C 
               
               
                 ATOM 
                 8 
                 NE 
                 ARG 
                 A 
                 1649 
                 24.532 
                 24.465 
                 34.472 
                 1.00 
                 41.02 
                 N 
               
               
                 ATOM 
                 9 
                 CZ 
                 ARG 
                 A 
                 1649 
                 24.900 
                 23.213 
                 34.666 
                 1.00 
                 42.27 
                 C 
               
               
                 ATOM 
                 10 
                 NH1 
                 ARG 
                 A 
                 1649 
                 24.012 
                 22.284 
                 34.973 
                 1.00 
                 47.29 
                 N 
               
               
                 ATOM 
                 11 
                 NH2 
                 ARG 
                 A 
                 1649 
                 26.165 
                 22.886 
                 34.560 
                 1.00 
                 44.76 
                 N 
               
               
                 ATOM 
                 12 
                 N 
                 MET 
                 A 
                 1650 
                 19.253 
                 23.967 
                 37.004 
                 1.00 
                 36.61 
                 N 
               
               
                 ATOM 
                 13 
                 CA 
                 MET 
                 A 
                 1650 
                 17.864 
                 23.524 
                 36.769 
                 1.00 
                 34.88 
                 C 
               
               
                 ATOM 
                 14 
                 C 
                 MET 
                 A 
                 1650 
                 17.116 
                 23.314 
                 38.097 
                 1.00 
                 32.87 
                 C 
               
               
                 ATOM 
                 15 
                 O 
                 MET 
                 A 
                 1650 
                 17.716 
                 22.872 
                 39.078 
                 1.00 
                 33.22 
                 O 
               
               
                 ATOM 
                 16 
                 CB 
                 MET 
                 A 
                 1650 
                 17.823 
                 22.184 
                 36.015 
                 1.00 
                 35.73 
                 C 
               
               
                 ATOM 
                 17 
                 CG 
                 MET 
                 A 
                 1650 
                 18.760 
                 22.063 
                 34.822 
                 1.00 
                 39.54 
                 C 
               
               
                 ATOM 
                 18 
                 SD 
                 MET 
                 A 
                 1650 
                 18.701 
                 20.447 
                 33.985 
                 1.00 
                 47.40 
                 S 
               
               
                 ATOM 
                 19 
                 CE 
                 MET 
                 A 
                 1650 
                 17.014 
                 19.948 
                 34.263 
                 1.00 
                 43.86 
                 C 
               
               
                 ATOM 
                 20 
                 N 
                 SER 
                 A 
                 1651 
                 15.816 
                 23.610 
                 38.127 
                 1.00 
                 29.05 
                 N 
               
               
                 ATOM 
                 21 
                 CA 
                 SER 
                 A 
                 1651 
                 15.013 
                 23.420 
                 39.339 
                 1.00 
                 25.47 
                 C 
               
               
                 ATOM 
                 22 
                 C 
                 SER 
                 A 
                 1651 
                 13.556 
                 23.243 
                 38.904 
                 1.00 
                 24.50 
                 C 
               
               
                 ATOM 
                 23 
                 O 
                 SER 
                 A 
                 1651 
                 12.987 
                 24.147 
                 38.272 
                 1.00 
                 23.29 
                 O 
               
               
                 ATOM 
                 24 
                 CB 
                 SER 
                 A 
                 1651 
                 15.169 
                 24.634 
                 40.254 
                 1.00 
                 25.05 
                 C 
               
               
                 ATOM 
                 25 
                 OG 
                 SER 
                 A 
                 1651 
                 14.285 
                 24.568 
                 41.357 
                 1.00 
                 23.07 
                 O 
               
               
                 ATOM 
                 26 
                 N 
                 MET 
                 A 
                 1652 
                 12.958 
                 22.099 
                 39.240 
                 1.00 
                 23.28 
                 N 
               
               
                 ATOM 
                 27 
                 CA 
                 MET 
                 A 
                 1652 
                 11.609 
                 21.768 
                 38.746 
                 1.00 
                 22.67 
                 C 
               
               
                 ATOM 
                 28 
                 C 
                 MET 
                 A 
                 1652 
                 10.503 
                 21.815 
                 39.789 
                 1.00 
                 21.96 
                 C 
               
               
                 ATOM 
                 29 
                 O 
                 MET 
                 A 
                 1652 
                 10.752 
                 21.600 
                 40.963 
                 1.00 
                 21.38 
                 O 
               
               
                 ATOM 
                 30 
                 CB 
                 MET 
                 A 
                 1652 
                 11.582 
                 20.346 
                 38.170 
                 1.00 
                 22.94 
                 C 
               
               
                 ATOM 
                 31 
                 CG 
                 MET 
                 A 
                 1652 
                 12.716 
                 19.972 
                 37.236 
                 1.00 
                 26.44 
                 C 
               
               
                 ATOM 
                 32 
                 SD 
                 MET 
                 A 
                 1652 
                 12.543 
                 18.260 
                 36.657 
                 1.00 
                 29.06 
                 S 
               
               
                 ATOM 
                 33 
                 CE 
                 MET 
                 A 
                 1652 
                 12.877 
                 17.308 
                 38.164 
                 1.00 
                 29.60 
                 C 
               
               
                 ATOM 
                 34 
                 N 
                 VAL 
                 A 
                 1653 
                 9.280 
                 22.103 
                 39.333 
                 1.00 
                 21.77 
                 N 
               
               
                 ATOM 
                 35 
                 CA 
                 VAL 
                 A 
                 1653 
                 8.073 
                 21.861 
                 40.127 
                 1.00 
                 21.44 
                 C 
               
               
                 ATOM 
                 36 
                 C 
                 VAL 
                 A 
                 1653 
                 7.194 
                 21.046 
                 39.176 
                 1.00 
                 21.79 
                 C 
               
               
                 ATOM 
                 37 
                 O 
                 VAL 
                 A 
                 1653 
                 7.462 
                 21.019 
                 37.972 
                 1.00 
                 21.55 
                 O 
               
               
                 ATOM 
                 38 
                 CB 
                 VAL 
                 A 
                 1653 
                 7.348 
                 23.124 
                 40.597 
                 1.00 
                 21.82 
                 C 
               
               
                 ATOM 
                 39 
                 CG1 
                 VAL 
                 A 
                 1653 
                 8.236 
                 23.964 
                 41.512 
                 1.00 
                 21.08 
                 C 
               
               
                 ATOM 
                 40 
                 CG2 
                 VAL 
                 A 
                 1653 
                 6.869 
                 23.986 
                 39.400 
                 1.00 
                 21.69 
                 C 
               
               
                 ATOM 
                 41 
                 N 
                 VAL 
                 A 
                 1654 
                 6.174 
                 20.374 
                 39.710 
                 1.00 
                 22.15 
                 N 
               
               
                 ATOM 
                 42 
                 CA 
                 VAL 
                 A 
                 1654 
                 5.236 
                 19.649 
                 38.874 
                 1.00 
                 21.91 
                 C 
               
               
                 ATOM 
                 43 
                 C 
                 VAL 
                 A 
                 1654 
                 3.844 
                 20.185 
                 39.150 
                 1.00 
                 21.96 
                 C 
               
               
                 ATOM 
                 44 
                 O 
                 VAL 
                 A 
                 1654 
                 3.604 
                 20.860 
                 40.170 
                 1.00 
                 22.10 
                 O 
               
               
                 ATOM 
                 45 
                 CB 
                 VAL 
                 A 
                 1654 
                 5.243 
                 18.129 
                 39.137 
                 1.00 
                 22.11 
                 C 
               
               
                 ATOM 
                 46 
                 CG1 
                 VAL 
                 A 
                 1654 
                 6.635 
                 17.546 
                 38.954 
                 1.00 
                 21.48 
                 C 
               
               
                 ATOM 
                 47 
                 CG2 
                 VAL 
                 A 
                 1654 
                 4.613 
                 17.772 
                 40.509 
                 1.00 
                 21.70 
                 C 
               
               
                 ATOM 
                 48 
                 N 
                 SER 
                 A 
                 1655 
                 2.921 
                 19.914 
                 38.237 
                 1.00 
                 22.52 
                 N 
               
               
                 ATOM 
                 49 
                 CA 
                 SER 
                 A 
                 1655 
                 1.561 
                 20.390 
                 38.429 
                 1.00 
                 23.73 
                 C 
               
               
                 ATOM 
                 50 
                 C 
                 SER 
                 A 
                 1655 
                 0.600 
                 19.446 
                 37.735 
                 1.00 
                 24.21 
                 C 
               
               
                 ATOM 
                 51 
                 O 
                 SER 
                 A 
                 1655 
                 0.874 
                 18.984 
                 36.633 
                 1.00 
                 23.50 
                 O 
               
               
                 ATOM 
                 52 
                 CB 
                 SER 
                 A 
                 1655 
                 1.418 
                 21.804 
                 37.847 
                 1.00 
                 23.91 
                 C 
               
               
                 ATOM 
                 53 
                 OG 
                 SER 
                 A 
                 1655 
                 0.090 
                 22.280 
                 37.999 
                 1.00 
                 25.27 
                 O 
               
               
                 ATOM 
                 54 
                 N 
                 GLY 
                 A 
                 1656 
                 −0.511 
                 19.142 
                 38.390 
                 1.00 
                 25.03 
                 N 
               
               
                 ATOM 
                 55 
                 CA 
                 GLY 
                 A 
                 1656 
                 −1.515 
                 18.293 
                 37.784 
                 1.00 
                 26.90 
                 C 
               
               
                 ATOM 
                 56 
                 C 
                 GLY 
                 A 
                 1656 
                 −1.231 
                 16.813 
                 37.896 
                 1.00 
                 28.26 
                 C 
               
               
                 ATOM 
                 57 
                 O 
                 GLY 
                 A 
                 1656 
                 −1.951 
                 16.007 
                 37.322 
                 1.00 
                 28.33 
                 O 
               
               
                 ATOM 
                 58 
                 N 
                 LEU 
                 A 
                 1657 
                 −0.180 
                 16.441 
                 38.624 
                 1.00 
                 29.57 
                 N 
               
               
                 ATOM 
                 59 
                 CA 
                 LEU 
                 A 
                 1657 
                 0.151 
                 15.039 
                 38.777 
                 1.00 
                 31.48 
                 C 
               
               
                 ATOM 
                 60 
                 C 
                 LEU 
                 A 
                 1657 
                 −0.445 
                 14.481 
                 40.049 
                 1.00 
                 33.40 
                 C 
               
               
                 ATOM 
                 61 
                 O 
                 LEU 
                 A 
                 1657 
                 −0.551 
                 15.187 
                 41.046 
                 1.00 
                 33.77 
                 O 
               
               
                 ATOM 
                 62 
                 CB 
                 LEU 
                 A 
                 1657 
                 1.669 
                 14.835 
                 38.880 
                 1.00 
                 31.30 
                 C 
               
               
                 ATOM 
                 63 
                 CG 
                 LEU 
                 A 
                 1657 
                 2.557 
                 15.339 
                 37.751 
                 1.00 
                 29.72 
                 C 
               
               
                 ATOM 
                 64 
                 CD1 
                 LEU 
                 A 
                 1657 
                 3.959 
                 14.805 
                 37.938 
                 1.00 
                 27.61 
                 C 
               
               
                 ATOM 
                 65 
                 CD2 
                 LEU 
                 A 
                 1657 
                 1.962 
                 14.855 
                 36.430 
                 1.00 
                 31.43 
                 C 
               
               
                 ATOM 
                 66 
                 N 
                 THR 
                 A 
                 1658 
                 −0.788 
                 13.205 
                 40.012 
                 1.00 
                 35.92 
                 N 
               
               
                 ATOM 
                 67 
                 CA 
                 THR 
                 A 
                 1658 
                 −1.191 
                 12.497 
                 41.217 
                 1.00 
                 38.84 
                 C 
               
               
                 ATOM 
                 68 
                 C 
                 THR 
                 A 
                 1658 
                 0.057 
                 12.373 
                 42.092 
                 1.00 
                 40.25 
                 C 
               
               
                 ATOM 
                 69 
                 O 
                 THR 
                 A 
                 1658 
                 1.182 
                 12.411 
                 41.579 
                 1.00 
                 40.34 
                 O 
               
               
                 ATOM 
                 70 
                 CB 
                 THR 
                 A 
                 1658 
                 −1.622 
                 11.102 
                 40.860 
                 1.00 
                 38.58 
                 C 
               
               
                 ATOM 
                 71 
                 OG1 
                 THR 
                 A 
                 1658 
                 −0.515 
                 10.438 
                 40.250 
                 1.00 
                 41.39 
                 O 
               
               
                 ATOM 
                 72 
                 CG2 
                 THR 
                 A 
                 1658 
                 −2.657 
                 11.119 
                 39.761 
                 1.00 
                 38.93 
                 C 
               
               
                 ATOM 
                 73 
                 N 
                 PRO 
                 A 
                 1659 
                 −0.140 
                 12.210 
                 43.400 
                 1.00 
                 41.63 
                 N 
               
               
                 ATOM 
                 74 
                 CA 
                 PRO 
                 A 
                 1659 
                 0.957 
                 12.021 
                 44.353 
                 1.00 
                 42.36 
                 C 
               
               
                 ATOM 
                 75 
                 C 
                 PRO 
                 A 
                 1659 
                 1.924 
                 10.967 
                 43.837 
                 1.00 
                 43.26 
                 C 
               
               
                 ATOM 
                 76 
                 O 
                 PRO 
                 A 
                 1659 
                 3.126 
                 11.067 
                 44.074 
                 1.00 
                 43.63 
                 O 
               
               
                 ATOM 
                 77 
                 CB 
                 PRO 
                 A 
                 1659 
                 0.231 
                 11.484 
                 45.590 
                 1.00 
                 42.81 
                 C 
               
               
                 ATOM 
                 78 
                 CG 
                 PRO 
                 A 
                 1659 
                 −1.089 
                 12.163 
                 45.531 
                 1.00 
                 41.97 
                 C 
               
               
                 ATOM 
                 79 
                 CD 
                 PRO 
                 A 
                 1659 
                 −1.456 
                 12.197 
                 44.067 
                 1.00 
                 41.96 
                 C 
               
               
                 ATOM 
                 80 
                 N 
                 GLU 
                 A 
                 1660 
                 1.389 
                 9.970 
                 43.137 
                 1.00 
                 43.67 
                 N 
               
               
                 ATOM 
                 81 
                 CA 
                 GLU 
                 A 
                 1660 
                 2.188 
                 8.905 
                 42.561 
                 1.00 
                 44.09 
                 C 
               
               
                 ATOM 
                 82 
                 C 
                 GLU 
                 A 
                 1660 
                 3.084 
                 9.406 
                 41.447 
                 1.00 
                 44.00 
                 C 
               
               
                 ATOM 
                 83 
                 O 
                 GLU 
                 A 
                 1660 
                 4.296 
                 9.177 
                 41.457 
                 1.00 
                 44.31 
                 O 
               
               
                 ATOM 
                 84 
                 CB 
                 GLU 
                 A 
                 1660 
                 1.269 
                 7.843 
                 41.965 
                 1.00 
                 44.71 
                 C 
               
               
                 ATOM 
                 85 
                 CG 
                 GLU 
                 A 
                 1660 
                 1.888 
                 7.156 
                 40.761 
                 1.00 
                 47.07 
                 C 
               
               
                 ATOM 
                 86 
                 CD 
                 GLU 
                 A 
                 1660 
                 1.029 
                 6.047 
                 40.195 
                 1.00 
                 52.07 
                 C 
               
               
                 ATOM 
                 87 
                 OE1 
                 GLU 
                 A 
                 1660 
                 0.453 
                 5.268 
                 40.994 
                 1.00 
                 53.23 
                 O 
               
               
                 ATOM 
                 88 
                 OE2 
                 GLU 
                 A 
                 1660 
                 0.944 
                 5.952 
                 38.946 
                 1.00 
                 54.35 
                 O 
               
               
                 ATOM 
                 89 
                 N 
                 GLU 
                 A 
                 1661 
                 2.471 
                 10.056 
                 40.458 
                 1.00 
                 43.83 
                 N 
               
               
                 ATOM 
                 90 
                 CA 
                 GLU 
                 A 
                 1661 
                 3.201 
                 10.544 
                 39.293 
                 1.00 
                 43.45 
                 C 
               
               
                 ATOM 
                 91 
                 C 
                 GLU 
                 A 
                 1661 
                 4.341 
                 11.405 
                 39.783 
                 1.00 
                 42.90 
                 C 
               
               
                 ATOM 
                 92 
                 O 
                 GLU 
                 A 
                 1661 
                 5.428 
                 11.398 
                 39.210 
                 1.00 
                 43.62 
                 O 
               
               
                 ATOM 
                 93 
                 CB 
                 GLU 
                 A 
                 1661 
                 2.274 
                 11.303 
                 38.321 
                 1.00 
                 43.46 
                 C 
               
               
                 ATOM 
                 94 
                 CG 
                 GLU 
                 A 
                 1661 
                 1.496 
                 10.413 
                 37.354 
                 1.00 
                 44.55 
                 C 
               
               
                 ATOM 
                 95 
                 CD 
                 GLU 
                 A 
                 1661 
                 0.316 
                 11.125 
                 36.703 
                 1.00 
                 45.20 
                 C 
               
               
                 ATOM 
                 96 
                 OE1 
                 GLU 
                 A 
                 1661 
                 −0.205 
                 12.081 
                 37.309 
                 1.00 
                 45.12 
                 O 
               
               
                 ATOM 
                 97 
                 OE2 
                 GLU 
                 A 
                 1661 
                 −0.092 
                 10.731 
                 35.586 
                 1.00 
                 46.89 
                 O 
               
               
                 ATOM 
                 98 
                 N 
                 PHE 
                 A 
                 1662 
                 4.094 
                 12.136 
                 40.861 
                 1.00 
                 41.91 
                 N 
               
               
                 ATOM 
                 99 
                 CA 
                 PHE 
                 A 
                 1662 
                 5.119 
                 12.949 
                 41.478 
                 1.00 
                 42.12 
                 C 
               
               
                 ATOM 
                 100 
                 C 
                 PHE 
                 A 
                 1662 
                 6.268 
                 12.034 
                 41.906 
                 1.00 
                 41.38 
                 C 
               
               
                 ATOM 
                 101 
                 O 
                 PHE 
                 A 
                 1662 
                 7.423 
                 12.448 
                 41.923 
                 1.00 
                 40.80 
                 O 
               
               
                 ATOM 
                 102 
                 CB 
                 PHE 
                 A 
                 1662 
                 4.549 
                 13.703 
                 42.691 
                 1.00 
                 41.81 
                 C 
               
               
                 ATOM 
                 103 
                 CG 
                 PHE 
                 A 
                 1662 
                 5.567 
                 14.513 
                 43.442 
                 1.00 
                 44.40 
                 C 
               
               
                 ATOM 
                 104 
                 CD1 
                 PHE 
                 A 
                 1662 
                 6.062 
                 15.689 
                 42.920 
                 1.00 
                 44.89 
                 C 
               
               
                 ATOM 
                 105 
                 CD2 
                 PHE 
                 A 
                 1662 
                 6.034 
                 14.093 
                 44.671 
                 1.00 
                 45.16 
                 C 
               
               
                 ATOM 
                 106 
                 CE1 
                 PHE 
                 A 
                 1662 
                 6.994 
                 16.427 
                 43.606 
                 1.00 
                 46.33 
                 C 
               
               
                 ATOM 
                 107 
                 CE2 
                 PHE 
                 A 
                 1662 
                 6.966 
                 14.816 
                 45.361 
                 1.00 
                 45.74 
                 C 
               
               
                 ATOM 
                 108 
                 CZ 
                 PHE 
                 A 
                 1662 
                 7.452 
                 15.993 
                 44.830 
                 1.00 
                 46.57 
                 C 
               
               
                 ATOM 
                 109 
                 N 
                 MET 
                 A 
                 1663 
                 5.941 
                 10.789 
                 42.236 
                 1.00 
                 40.93 
                 N 
               
               
                 ATOM 
                 110 
                 CA 
                 MET 
                 A 
                 1663 
                 6.961 
                 9.863 
                 42.724 
                 1.00 
                 40.79 
                 C 
               
               
                 ATOM 
                 111 
                 C 
                 MET 
                 A 
                 1663 
                 7.881 
                 9.337 
                 41.619 
                 1.00 
                 39.37 
                 C 
               
               
                 ATOM 
                 112 
                 O 
                 MET 
                 A 
                 1663 
                 9.041 
                 9.047 
                 41.875 
                 1.00 
                 39.10 
                 O 
               
               
                 ATOM 
                 113 
                 CB 
                 MET 
                 A 
                 1663 
                 6.328 
                 8.764 
                 43.579 
                 1.00 
                 41.63 
                 C 
               
               
                 ATOM 
                 114 
                 CG 
                 MET 
                 A 
                 1663 
                 5.566 
                 9.346 
                 44.780 
                 1.00 
                 44.48 
                 C 
               
               
                 ATOM 
                 115 
                 SD 
                 MET 
                 A 
                 1663 
                 6.021 
                 11.127 
                 45.033 
                 1.00 
                 54.98 
                 S 
               
               
                 ATOM 
                 116 
                 CE 
                 MET 
                 A 
                 1663 
                 5.163 
                 11.565 
                 46.534 
                 1.00 
                 49.27 
                 C 
               
               
                 ATOM 
                 117 
                 N 
                 LEU 
                 A 
                 1664 
                 7.383 
                 9.257 
                 40.386 
                 1.00 
                 38.10 
                 N 
               
               
                 ATOM 
                 118 
                 CA 
                 LEU 
                 A 
                 1664 
                 8.242 
                 8.893 
                 39.269 
                 1.00 
                 36.62 
                 C 
               
               
                 ATOM 
                 119 
                 C 
                 LEU 
                 A 
                 1664 
                 9.166 
                 10.076 
                 38.963 
                 1.00 
                 35.32 
                 C 
               
               
                 ATOM 
                 120 
                 O 
                 LEU 
                 A 
                 1664 
                 10.353 
                 9.882 
                 38.687 
                 1.00 
                 35.19 
                 O 
               
               
                 ATOM 
                 121 
                 CB 
                 LEU 
                 A 
                 1664 
                 7.444 
                 8.510 
                 38.023 
                 1.00 
                 36.87 
                 C 
               
               
                 ATOM 
                 122 
                 CG 
                 LEU 
                 A 
                 1664 
                 6.989 
                 7.054 
                 37.865 
                 1.00 
                 38.76 
                 C 
               
               
                 ATOM 
                 123 
                 CD1 
                 LEU 
                 A 
                 1664 
                 5.785 
                 6.970 
                 36.936 
                 1.00 
                 39.32 
                 C 
               
               
                 ATOM 
                 124 
                 CD2 
                 LEU 
                 A 
                 1664 
                 8.138 
                 6.155 
                 37.371 
                 1.00 
                 40.42 
                 C 
               
               
                 ATOM 
                 125 
                 N 
                 VAL 
                 A 
                 1665 
                 8.623 
                 11.294 
                 39.025 
                 1.00 
                 33.46 
                 N 
               
               
                 ATOM 
                 126 
                 CA 
                 VAL 
                 A 
                 1665 
                 9.435 
                 12.498 
                 38.823 
                 1.00 
                 31.56 
                 C 
               
               
                 ATOM 
                 127 
                 C 
                 VAL 
                 A 
                 1665 
                 10.462 
                 12.593 
                 39.931 
                 1.00 
                 31.17 
                 C 
               
               
                 ATOM 
                 128 
                 O 
                 VAL 
                 A 
                 1665 
                 11.626 
                 12.971 
                 39.716 
                 1.00 
                 29.16 
                 O 
               
               
                 ATOM 
                 129 
                 CB 
                 VAL 
                 A 
                 1665 
                 8.601 
                 13.787 
                 38.830 
                 1.00 
                 32.18 
                 C 
               
               
                 ATOM 
                 130 
                 CG1 
                 VAL 
                 A 
                 1665 
                 9.514 
                 15.015 
                 38.599 
                 1.00 
                 29.50 
                 C 
               
               
                 ATOM 
                 131 
                 CG2 
                 VAL 
                 A 
                 1665 
                 7.528 
                 13.727 
                 37.769 
                 1.00 
                 31.04 
                 C 
               
               
                 ATOM 
                 132 
                 N 
                 TYR 
                 A 
                 1666 
                 10.035 
                 12.225 
                 41.128 
                 1.00 
                 30.24 
                 N 
               
               
                 ATOM 
                 133 
                 CA 
                 TYR 
                 A 
                 1666 
                 10.951 
                 12.266 
                 42.253 
                 1.00 
                 30.74 
                 C 
               
               
                 ATOM 
                 134 
                 C 
                 TYR 
                 A 
                 1666 
                 12.106 
                 11.278 
                 42.039 
                 1.00 
                 29.52 
                 C 
               
               
                 ATOM 
                 135 
                 O 
                 TYR 
                 A 
                 1666 
                 13.252 
                 11.604 
                 42.324 
                 1.00 
                 28.12 
                 O 
               
               
                 ATOM 
                 136 
                 CB 
                 TYR 
                 A 
                 1666 
                 10.237 
                 11.948 
                 43.558 
                 1.00 
                 32.14 
                 C 
               
               
                 ATOM 
                 137 
                 CG 
                 TYR 
                 A 
                 1666 
                 11.208 
                 11.829 
                 44.710 
                 1.00 
                 36.82 
                 C 
               
               
                 ATOM 
                 138 
                 CD1 
                 TYR 
                 A 
                 1666 
                 11.495 
                 12.920 
                 45.512 
                 1.00 
                 41.37 
                 C 
               
               
                 ATOM 
                 139 
                 CD2 
                 TYR 
                 A 
                 1666 
                 11.851 
                 10.624 
                 44.981 
                 1.00 
                 42.59 
                 C 
               
               
                 ATOM 
                 140 
                 CE1 
                 TYR 
                 A 
                 1666 
                 12.380 
                 12.816 
                 46.558 
                 1.00 
                 45.38 
                 C 
               
               
                 ATOM 
                 141 
                 CE2 
                 TYR 
                 A 
                 1666 
                 12.741 
                 10.513 
                 46.026 
                 1.00 
                 45.18 
                 C 
               
               
                 ATOM 
                 142 
                 CZ 
                 TYR 
                 A 
                 1666 
                 12.999 
                 11.617 
                 46.809 
                 1.00 
                 46.15 
                 C 
               
               
                 ATOM 
                 143 
                 OH 
                 TYR 
                 A 
                 1666 
                 13.882 
                 11.544 
                 47.858 
                 1.00 
                 49.62 
                 O 
               
               
                 ATOM 
                 144 
                 N 
                 LYS 
                 A 
                 1667 
                 11.792 
                 10.085 
                 41.541 
                 1.00 
                 29.17 
                 N 
               
               
                 ATOM 
                 145 
                 CA 
                 LYS 
                 A 
                 1667 
                 12.823 
                 9.070 
                 41.263 
                 1.00 
                 29.54 
                 C 
               
               
                 ATOM 
                 146 
                 C 
                 LYS 
                 A 
                 1667 
                 13.807 
                 9.593 
                 40.217 
                 1.00 
                 28.96 
                 C 
               
               
                 ATOM 
                 147 
                 O 
                 LYS 
                 A 
                 1667 
                 15.026 
                 9.510 
                 40.394 
                 1.00 
                 28.65 
                 O 
               
               
                 ATOM 
                 148 
                 CB 
                 LYS 
                 A 
                 1667 
                 12.174 
                 7.756 
                 40.819 
                 1.00 
                 30.32 
                 C 
               
               
                 ATOM 
                 149 
                 CG 
                 LYS 
                 A 
                 1667 
                 13.145 
                 6.604 
                 40.600 
                 1.00 
                 33.53 
                 C 
               
               
                 ATOM 
                 150 
                 CD 
                 LYS 
                 A 
                 1667 
                 12.516 
                 5.477 
                 39.763 
                 1.00 
                 37.99 
                 C 
               
               
                 ATOM 
                 151 
                 CE 
                 LYS 
                 A 
                 1667 
                 13.599 
                 4.737 
                 38.953 
                 1.00 
                 40.33 
                 C 
               
               
                 ATOM 
                 152 
                 NZ 
                 LYS 
                 A 
                 1667 
                 13.069 
                 3.904 
                 37.815 
                 1.00 
                 43.44 
                 N 
               
               
                 ATOM 
                 153 
                 N 
                 PHE 
                 A 
                 1668 
                 13.249 
                 10.137 
                 39.137 
                 1.00 
                 28.47 
                 N 
               
               
                 ATOM 
                 154 
                 CA 
                 PHE 
                 A 
                 1668 
                 13.986 
                 10.780 
                 38.054 
                 1.00 
                 27.75 
                 C 
               
               
                 ATOM 
                 155 
                 C 
                 PHE 
                 A 
                 1668 
                 14.944 
                 11.880 
                 38.550 
                 1.00 
                 27.27 
                 C 
               
               
                 ATOM 
                 156 
                 O 
                 PHE 
                 A 
                 1668 
                 16.136 
                 11.869 
                 38.220 
                 1.00 
                 25.79 
                 O 
               
               
                 ATOM 
                 157 
                 CB 
                 PHE 
                 A 
                 1668 
                 12.979 
                 11.364 
                 37.057 
                 1.00 
                 28.54 
                 C 
               
               
                 ATOM 
                 158 
                 CG 
                 PHE 
                 A 
                 1668 
                 13.594 
                 12.000 
                 35.836 
                 1.00 
                 28.84 
                 C 
               
               
                 ATOM 
                 159 
                 CD1 
                 PHE 
                 A 
                 1668 
                 14.241 
                 11.237 
                 34.875 
                 1.00 
                 32.22 
                 C 
               
               
                 ATOM 
                 160 
                 CD2 
                 PHE 
                 A 
                 1668 
                 13.470 
                 13.352 
                 35.630 
                 1.00 
                 31.36 
                 C 
               
               
                 ATOM 
                 161 
                 CE1 
                 PHE 
                 A 
                 1668 
                 14.777 
                 11.837 
                 33.750 
                 1.00 
                 32.35 
                 C 
               
               
                 ATOM 
                 162 
                 CE2 
                 PHE 
                 A 
                 1668 
                 14.000 
                 13.943 
                 34.508 
                 1.00 
                 32.38 
                 C 
               
               
                 ATOM 
                 163 
                 CZ 
                 PHE 
                 A 
                 1668 
                 14.662 
                 13.178 
                 33.578 
                 1.00 
                 31.43 
                 C 
               
               
                 ATOM 
                 164 
                 N 
                 ALA 
                 A 
                 1669 
                 14.424 
                 12.810 
                 39.349 
                 1.00 
                 25.62 
                 N 
               
               
                 ATOM 
                 165 
                 CA 
                 ALA 
                 A 
                 1669 
                 15.227 
                 13.909 
                 39.883 
                 1.00 
                 26.14 
                 C 
               
               
                 ATOM 
                 166 
                 C 
                 ALA 
                 A 
                 1669 
                 16.342 
                 13.397 
                 40.770 
                 1.00 
                 26.42 
                 C 
               
               
                 ATOM 
                 167 
                 O 
                 ALA 
                 A 
                 1669 
                 17.444 
                 13.917 
                 40.744 
                 1.00 
                 27.04 
                 O 
               
               
                 ATOM 
                 168 
                 CB 
                 ALA 
                 A 
                 1669 
                 14.358 
                 14.888 
                 40.681 
                 1.00 
                 25.21 
                 C 
               
               
                 ATOM 
                 169 
                 N 
                 ARG 
                 A 
                 1670 
                 16.027 
                 12.413 
                 41.595 
                 1.00 
                 26.98 
                 N 
               
               
                 ATOM 
                 170 
                 CA 
                 ARG 
                 A 
                 1670 
                 17.024 
                 11.836 
                 42.493 
                 1.00 
                 27.64 
                 C 
               
               
                 ATOM 
                 171 
                 C 
                 ARG 
                 A 
                 1670 
                 18.174 
                 11.241 
                 41.674 
                 1.00 
                 27.68 
                 C 
               
               
                 ATOM 
                 172 
                 O 
                 ARG 
                 A 
                 1670 
                 19.340 
                 11.460 
                 41.976 
                 1.00 
                 27.31 
                 O 
               
               
                 ATOM 
                 173 
                 CB 
                 ARG 
                 A 
                 1670 
                 16.346 
                 10.771 
                 43.343 
                 1.00 
                 28.45 
                 C 
               
               
                 ATOM 
                 174 
                 CG 
                 ARG 
                 A 
                 1670 
                 17.214 
                 10.070 
                 44.348 
                 1.00 
                 30.59 
                 C 
               
               
                 ATOM 
                 175 
                 CD 
                 ARG 
                 A 
                 1670 
                 16.421 
                 9.137 
                 45.243 
                 1.00 
                 35.94 
                 C 
               
               
                 ATOM 
                 176 
                 NE 
                 ARG 
                 A 
                 1670 
                 17.245 
                 8.595 
                 46.310 
                 1.00 
                 37.87 
                 N 
               
               
                 ATOM 
                 177 
                 CZ 
                 ARG 
                 A 
                 1670 
                 17.559 
                 9.244 
                 47.424 
                 1.00 
                 38.30 
                 C 
               
               
                 ATOM 
                 178 
                 NH1 
                 ARG 
                 A 
                 1670 
                 17.115 
                 10.473 
                 47.641 
                 1.00 
                 37.07 
                 N 
               
               
                 ATOM 
                 179 
                 NH2 
                 ARG 
                 A 
                 1670 
                 18.314 
                 8.644 
                 48.333 
                 1.00 
                 38.27 
                 N 
               
               
                 ATOM 
                 180 
                 N 
                 LYS 
                 A 
                 1671 
                 17.831 
                 10.488 
                 40.634 
                 1.00 
                 27.51 
                 N 
               
               
                 ATOM 
                 181 
                 CA 
                 LYS 
                 A 
                 1671 
                 18.830 
                 9.814 
                 39.823 
                 1.00 
                 28.46 
                 C 
               
               
                 ATOM 
                 182 
                 C 
                 LYS 
                 A 
                 1671 
                 19.742 
                 10.798 
                 39.104 
                 1.00 
                 27.96 
                 C 
               
               
                 ATOM 
                 183 
                 O 
                 LYS 
                 A 
                 1671 
                 20.948 
                 10.602 
                 39.043 
                 1.00 
                 27.41 
                 O 
               
               
                 ATOM 
                 184 
                 CB 
                 LYS 
                 A 
                 1671 
                 18.150 
                 8.903 
                 38.799 
                 1.00 
                 28.67 
                 C 
               
               
                 ATOM 
                 185 
                 CG 
                 LYS 
                 A 
                 1671 
                 19.057 
                 8.452 
                 37.645 
                 1.00 
                 30.60 
                 C 
               
               
                 ATOM 
                 186 
                 CD 
                 LYS 
                 A 
                 1671 
                 18.286 
                 7.499 
                 36.740 
                 1.00 
                 33.67 
                 C 
               
               
                 ATOM 
                 187 
                 CE 
                 LYS 
                 A 
                 1671 
                 19.181 
                 6.743 
                 35.765 
                 1.00 
                 37.14 
                 C 
               
               
                 ATOM 
                 188 
                 NZ 
                 LYS 
                 A 
                 1671 
                 18.327 
                 5.889 
                 34.877 
                 1.00 
                 40.72 
                 N 
               
               
                 ATOM 
                 189 
                 N 
                 HIS 
                 A 
                 1672 
                 19.156 
                 11.871 
                 38.579 
                 1.00 
                 27.95 
                 N 
               
               
                 ATOM 
                 190 
                 CA 
                 HIS 
                 A 
                 1672 
                 19.902 
                 12.817 
                 37.776 
                 1.00 
                 27.74 
                 C 
               
               
                 ATOM 
                 191 
                 C 
                 HIS 
                 A 
                 1672 
                 20.394 
                 14.032 
                 38.551 
                 1.00 
                 27.28 
                 C 
               
               
                 ATOM 
                 192 
                 O 
                 HIS 
                 A 
                 1672 
                 20.975 
                 14.940 
                 37.971 
                 1.00 
                 27.32 
                 O 
               
               
                 ATOM 
                 193 
                 CB 
                 HIS 
                 A 
                 1672 
                 19.064 
                 13.248 
                 36.571 
                 1.00 
                 28.24 
                 C 
               
               
                 ATOM 
                 194 
                 CG 
                 HIS 
                 A 
                 1672 
                 18.831 
                 12.144 
                 35.585 
                 1.00 
                 30.19 
                 C 
               
               
                 ATOM 
                 195 
                 ND1 
                 HIS 
                 A 
                 1672 
                 19.854 
                 11.575 
                 34.856 
                 1.00 
                 30.35 
                 N 
               
               
                 ATOM 
                 196 
                 CD2 
                 HIS 
                 A 
                 1672 
                 17.699 
                 11.496 
                 35.218 
                 1.00 
                 30.89 
                 C 
               
               
                 ATOM 
                 197 
                 CE1 
                 HIS 
                 A 
                 1672 
                 19.359 
                 10.631 
                 34.072 
                 1.00 
                 32.84 
                 C 
               
               
                 ATOM 
                 198 
                 NE2 
                 HIS 
                 A 
                 1672 
                 18.055 
                 10.558 
                 34.278 
                 1.00 
                 29.45 
                 N 
               
               
                 ATOM 
                 199 
                 N 
                 HIS 
                 A 
                 1673 
                 20.139 
                 14.040 
                 39.854 
                 1.00 
                 27.33 
                 N 
               
               
                 ATOM 
                 200 
                 CA 
                 HIS 
                 A 
                 1673 
                 20.579 
                 15.125 
                 40.716 
                 1.00 
                 27.56 
                 C 
               
               
                 ATOM 
                 201 
                 C 
                 HIS 
                 A 
                 1673 
                 20.016 
                 16.447 
                 40.211 
                 1.00 
                 26.59 
                 C 
               
               
                 ATOM 
                 202 
                 O 
                 HIS 
                 A 
                 1673 
                 20.742 
                 17.422 
                 40.081 
                 1.00 
                 26.83 
                 O 
               
               
                 ATOM 
                 203 
                 CB 
                 HIS 
                 A 
                 1673 
                 22.105 
                 15.190 
                 40.784 
                 1.00 
                 27.91 
                 C 
               
               
                 ATOM 
                 204 
                 CG 
                 HIS 
                 A 
                 1673 
                 22.627 
                 15.924 
                 41.984 
                 1.00 
                 29.65 
                 C 
               
               
                 ATOM 
                 205 
                 ND1 
                 HIS 
                 A 
                 1673 
                 22.540 
                 15.415 
                 43.261 
                 1.00 
                 31.89 
                 N 
               
               
                 ATOM 
                 206 
                 CD2 
                 HIS 
                 A 
                 1673 
                 23.235 
                 17.127 
                 42.101 
                 1.00 
                 31.98 
                 C 
               
               
                 ATOM 
                 207 
                 CE1 
                 HIS 
                 A 
                 1673 
                 23.076 
                 16.270 
                 44.116 
                 1.00 
                 29.99 
                 C 
               
               
                 ATOM 
                 208 
                 NE2 
                 HIS 
                 A 
                 1673 
                 23.506 
                 17.316 
                 43.438 
                 1.00 
                 32.36 
                 N 
               
               
                 ATOM 
                 209 
                 N 
                 ILE 
                 A 
                 1674 
                 18.723 
                 16.431 
                 39.893 
                 1.00 
                 26.22 
                 N 
               
               
                 ATOM 
                 210 
                 CA 
                 ILE 
                 A 
                 1674 
                 17.985 
                 17.620 
                 39.472 
                 1.00 
                 25.06 
                 C 
               
               
                 ATOM 
                 211 
                 C 
                 ILE 
                 A 
                 1674 
                 17.207 
                 18.150 
                 40.668 
                 1.00 
                 23.96 
                 C 
               
               
                 ATOM 
                 212 
                 O 
                 ILE 
                 A 
                 1674 
                 16.556 
                 17.391 
                 41.375 
                 1.00 
                 24.12 
                 O 
               
               
                 ATOM 
                 213 
                 CB 
                 ILE 
                 A 
                 1674 
                 16.976 
                 17.245 
                 38.356 
                 1.00 
                 25.75 
                 C 
               
               
                 ATOM 
                 214 
                 CG1 
                 ILE 
                 A 
                 1674 
                 17.681 
                 16.534 
                 37.193 
                 1.00 
                 26.59 
                 C 
               
               
                 ATOM 
                 215 
                 CG2 
                 ILE 
                 A 
                 1674 
                 16.239 
                 18.495 
                 37.847 
                 1.00 
                 26.27 
                 C 
               
               
                 ATOM 
                 216 
                 CD1 
                 ILE 
                 A 
                 1674 
                 16.718 
                 16.040 
                 36.103 
                 1.00 
                 28.27 
                 C 
               
               
                 ATOM 
                 217 
                 N 
                 THR 
                 A 
                 1675 
                 17.253 
                 19.450 
                 40.882 
                 1.00 
                 22.45 
                 N 
               
               
                 ATOM 
                 218 
                 CA 
                 THR 
                 A 
                 1675 
                 16.485 
                 20.059 
                 41.959 
                 1.00 
                 22.35 
                 C 
               
               
                 ATOM 
                 219 
                 C 
                 THR 
                 A 
                 1675 
                 14.987 
                 19.928 
                 41.677 
                 1.00 
                 22.01 
                 C 
               
               
                 ATOM 
                 220 
                 O 
                 THR 
                 A 
                 1675 
                 14.535 
                 20.297 
                 40.604 
                 1.00 
                 21.54 
                 O 
               
               
                 ATOM 
                 221 
                 CB 
                 THR 
                 A 
                 1675 
                 16.885 
                 21.538 
                 42.079 
                 1.00 
                 22.30 
                 C 
               
               
                 ATOM 
                 222 
                 OG1 
                 THR 
                 A 
                 1675 
                 18.262 
                 21.649 
                 42.480 
                 1.00 
                 23.67 
                 O 
               
               
                 ATOM 
                 223 
                 CG2 
                 THR 
                 A 
                 1675 
                 16.135 
                 22.216 
                 43.198 
                 1.00 
                 21.79 
                 C 
               
               
                 ATOM 
                 224 
                 N 
                 LEU 
                 A 
                 1676 
                 14.241 
                 19.390 
                 42.636 
                 1.00 
                 21.51 
                 N 
               
               
                 ATOM 
                 225 
                 CA 
                 LEU 
                 A 
                 1676 
                 12.798 
                 19.250 
                 42.545 
                 1.00 
                 21.73 
                 C 
               
               
                 ATOM 
                 226 
                 C 
                 LEU 
                 A 
                 1676 
                 12.184 
                 19.848 
                 43.821 
                 1.00 
                 21.93 
                 C 
               
               
                 ATOM 
                 227 
                 O 
                 LEU 
                 A 
                 1676 
                 12.568 
                 19.463 
                 44.928 
                 1.00 
                 21.14 
                 O 
               
               
                 ATOM 
                 228 
                 CB 
                 LEU 
                 A 
                 1676 
                 12.409 
                 17.770 
                 42.430 
                 1.00 
                 22.01 
                 C 
               
               
                 ATOM 
                 229 
                 CG 
                 LEU 
                 A 
                 1676 
                 10.926 
                 17.437 
                 42.592 
                 1.00 
                 22.31 
                 C 
               
               
                 ATOM 
                 230 
                 CD1 
                 LEU 
                 A 
                 1676 
                 10.079 
                 18.140 
                 41.503 
                 1.00 
                 24.34 
                 C 
               
               
                 ATOM 
                 231 
                 CD2 
                 LEU 
                 A 
                 1676 
                 10.676 
                 15.920 
                 42.607 
                 1.00 
                 22.73 
                 C 
               
               
                 ATOM 
                 232 
                 N 
                 THR 
                 A 
                 1677 
                 11.238 
                 20.768 
                 43.675 
                 1.00 
                 21.24 
                 N 
               
               
                 ATOM 
                 233 
                 CA 
                 THR 
                 A 
                 1677 
                 10.585 
                 21.362 
                 44.839 
                 1.00 
                 21.58 
                 C 
               
               
                 ATOM 
                 234 
                 C 
                 THR 
                 A 
                 1677 
                 9.065 
                 21.271 
                 44.704 
                 1.00 
                 21.67 
                 C 
               
               
                 ATOM 
                 235 
                 O 
                 THR 
                 A 
                 1677 
                 8.558 
                 20.984 
                 43.628 
                 1.00 
                 20.01 
                 O 
               
               
                 ATOM 
                 236 
                 CB 
                 THR 
                 A 
                 1677 
                 10.988 
                 22.842 
                 45.014 
                 1.00 
                 22.16 
                 C 
               
               
                 ATOM 
                 237 
                 OG1 
                 THR 
                 A 
                 1677 
                 10.362 
                 23.634 
                 43.998 
                 1.00 
                 25.10 
                 O 
               
               
                 ATOM 
                 238 
                 CG2 
                 THR 
                 A 
                 1677 
                 12.504 
                 23.081 
                 44.774 
                 1.00 
                 21.94 
                 C 
               
               
                 ATOM 
                 239 
                 N 
                 ASN 
                 A 
                 1678 
                 8.343 
                 21.536 
                 45.790 
                 1.00 
                 21.90 
                 N 
               
               
                 ATOM 
                 240 
                 CA 
                 ASN 
                 A 
                 1678 
                 6.887 
                 21.534 
                 45.746 
                 1.00 
                 23.71 
                 C 
               
               
                 ATOM 
                 241 
                 C 
                 ASN 
                 A 
                 1678 
                 6.299 
                 22.921 
                 45.458 
                 1.00 
                 24.19 
                 C 
               
               
                 ATOM 
                 242 
                 O 
                 ASN 
                 A 
                 1678 
                 5.175 
                 23.041 
                 44.968 
                 1.00 
                 25.65 
                 O 
               
               
                 ATOM 
                 243 
                 CB 
                 ASN 
                 A 
                 1678 
                 6.313 
                 20.974 
                 47.063 
                 1.00 
                 24.23 
                 C 
               
               
                 ATOM 
                 244 
                 CG 
                 ASN 
                 A 
                 1678 
                 6.673 
                 21.839 
                 48.285 
                 1.00 
                 24.68 
                 C 
               
               
                 ATOM 
                 245 
                 OD1 
                 ASN 
                 A 
                 1678 
                 7.688 
                 22.559 
                 48.296 
                 1.00 
                 22.56 
                 O 
               
               
                 ATOM 
                 246 
                 ND2 
                 ASN 
                 A 
                 1678 
                 5.842 
                 21.767 
                 49.321 
                 1.00 
                 25.85 
                 N 
               
               
                 ATOM 
                 247 
                 N 
                 LEU 
                 A 
                 1679 
                 7.063 
                 23.958 
                 45.767 
                 1.00 
                 24.17 
                 N 
               
               
                 ATOM 
                 248 
                 CA 
                 LEU 
                 A 
                 1679 
                 6.622 
                 25.332 
                 45.559 
                 1.00 
                 24.50 
                 C 
               
               
                 ATOM 
                 249 
                 C 
                 LEU 
                 A 
                 1679 
                 7.396 
                 26.005 
                 44.427 
                 1.00 
                 24.20 
                 C 
               
               
                 ATOM 
                 250 
                 O 
                 LEU 
                 A 
                 1679 
                 8.614 
                 25.849 
                 44.324 
                 1.00 
                 23.42 
                 O 
               
               
                 ATOM 
                 251 
                 CB 
                 LEU 
                 A 
                 1679 
                 6.803 
                 26.146 
                 46.850 
                 1.00 
                 25.12 
                 C 
               
               
                 ATOM 
                 252 
                 CG 
                 LEU 
                 A 
                 1679 
                 6.031 
                 25.602 
                 48.074 
                 1.00 
                 26.29 
                 C 
               
               
                 ATOM 
                 253 
                 CD1 
                 LEU 
                 A 
                 1679 
                 6.105 
                 26.558 
                 49.255 
                 1.00 
                 25.56 
                 C 
               
               
                 ATOM 
                 254 
                 CD2 
                 LEU 
                 A 
                 1679 
                 4.580 
                 25.315 
                 47.706 
                 1.00 
                 25.75 
                 C 
               
               
                 ATOM 
                 255 
                 N 
                 ILE 
                 A 
                 1680 
                 6.691 
                 26.753 
                 43.581 
                 1.00 
                 23.41 
                 N 
               
               
                 ATOM 
                 256 
                 CA 
                 ILE 
                 A 
                 1680 
                 7.349 
                 27.455 
                 42.495 
                 1.00 
                 23.78 
                 C 
               
               
                 ATOM 
                 257 
                 C 
                 ILE 
                 A 
                 1680 
                 7.921 
                 28.780 
                 43.027 
                 1.00 
                 24.30 
                 C 
               
               
                 ATOM 
                 258 
                 O 
                 ILE 
                 A 
                 1680 
                 7.326 
                 29.418 
                 43.904 
                 1.00 
                 23.93 
                 O 
               
               
                 ATOM 
                 259 
                 CB 
                 ILE 
                 A 
                 1680 
                 6.342 
                 27.681 
                 41.338 
                 1.00 
                 23.69 
                 C 
               
               
                 ATOM 
                 260 
                 CG1 
                 ILE 
                 A 
                 1680 
                 7.072 
                 28.148 
                 40.073 
                 1.00 
                 24.57 
                 C 
               
               
                 ATOM 
                 261 
                 CG2 
                 ILE 
                 A 
                 1680 
                 5.259 
                 28.658 
                 41.755 
                 1.00 
                 24.87 
                 C 
               
               
                 ATOM 
                 262 
                 CD1 
                 ILE 
                 A 
                 1680 
                 6.156 
                 28.205 
                 38.857 
                 1.00 
                 25.47 
                 C 
               
               
                 ATOM 
                 263 
                 N 
                 THR 
                 A 
                 1681 
                 9.097 
                 29.157 
                 42.541 
                 1.00 
                 24.43 
                 N 
               
               
                 ATOM 
                 264 
                 CA 
                 THR 
                 A 
                 1681 
                 9.762 
                 30.395 
                 42.951 
                 1.00 
                 25.11 
                 C 
               
               
                 ATOM 
                 265 
                 C 
                 THR 
                 A 
                 1681 
                 10.402 
                 31.007 
                 41.741 
                 1.00 
                 26.01 
                 C 
               
               
                 ATOM 
                 266 
                 O 
                 THR 
                 A 
                 1681 
                 10.366 
                 30.429 
                 40.676 
                 1.00 
                 25.92 
                 O 
               
               
                 ATOM 
                 267 
                 CB 
                 THR 
                 A 
                 1681 
                 10.917 
                 30.103 
                 43.930 
                 1.00 
                 24.96 
                 C 
               
               
                 ATOM 
                 268 
                 OG1 
                 THR 
                 A 
                 1681 
                 11.958 
                 29.408 
                 43.239 
                 1.00 
                 24.12 
                 O 
               
               
                 ATOM 
                 269 
                 CG2 
                 THR 
                 A 
                 1681 
                 10.490 
                 29.130 
                 45.002 
                 1.00 
                 24.40 
                 C 
               
               
                 ATOM 
                 270 
                 N 
                 GLU 
                 A 
                 1682 
                 11.071 
                 32.142 
                 41.921 
                 1.00 
                 27.46 
                 N 
               
               
                 ATOM 
                 271 
                 CA 
                 GLU 
                 A 
                 1682 
                 11.794 
                 32.757 
                 40.814 
                 1.00 
                 28.87 
                 C 
               
               
                 ATOM 
                 272 
                 C 
                 GLU 
                 A 
                 1682 
                 12.905 
                 31.869 
                 40.291 
                 1.00 
                 28.73 
                 C 
               
               
                 ATOM 
                 273 
                 O 
                 GLU 
                 A 
                 1682 
                 13.289 
                 31.986 
                 39.130 
                 1.00 
                 29.06 
                 O 
               
               
                 ATOM 
                 274 
                 CB 
                 GLU 
                 A 
                 1682 
                 12.405 
                 34.085 
                 41.248 
                 1.00 
                 29.96 
                 C 
               
               
                 ATOM 
                 275 
                 CG 
                 GLU 
                 A 
                 1682 
                 11.575 
                 34.801 
                 42.284 
                 1.00 
                 34.86 
                 C 
               
               
                 ATOM 
                 276 
                 CD 
                 GLU 
                 A 
                 1682 
                 11.797 
                 34.244 
                 43.680 
                 1.00 
                 39.53 
                 C 
               
               
                 ATOM 
                 277 
                 OE1 
                 GLU 
                 A 
                 1682 
                 12.877 
                 34.510 
                 44.255 
                 1.00 
                 45.24 
                 O 
               
               
                 ATOM 
                 278 
                 OE2 
                 GLU 
                 A 
                 1682 
                 10.906 
                 33.551 
                 44.201 
                 1.00 
                 39.80 
                 O 
               
               
                 ATOM 
                 279 
                 N 
                 GLU 
                 A 
                 1683 
                 13.447 
                 31.002 
                 41.143 
                 1.00 
                 27.80 
                 N 
               
               
                 ATOM 
                 280 
                 CA 
                 GLU 
                 A 
                 1683 
                 14.544 
                 30.121 
                 40.732 
                 1.00 
                 27.27 
                 C 
               
               
                 ATOM 
                 281 
                 C 
                 GLU 
                 A 
                 1683 
                 14.105 
                 28.885 
                 39.941 
                 1.00 
                 25.48 
                 C 
               
               
                 ATOM 
                 282 
                 O 
                 GLU 
                 A 
                 1683 
                 14.913 
                 28.218 
                 39.297 
                 1.00 
                 24.53 
                 O 
               
               
                 ATOM 
                 283 
                 CB 
                 GLU 
                 A 
                 1683 
                 15.384 
                 29.710 
                 41.944 
                 1.00 
                 28.00 
                 C 
               
               
                 ATOM 
                 284 
                 CG 
                 GLU 
                 A 
                 1683 
                 16.135 
                 30.882 
                 42.565 
                 1.00 
                 32.38 
                 C 
               
               
                 ATOM 
                 285 
                 CD 
                 GLU 
                 A 
                 1683 
                 15.242 
                 31.826 
                 43.357 
                 1.00 
                 38.54 
                 C 
               
               
                 ATOM 
                 286 
                 OE1 
                 GLU 
                 A 
                 1683 
                 14.320 
                 31.343 
                 44.041 
                 1.00 
                 40.84 
                 O 
               
               
                 ATOM 
                 287 
                 OE2 
                 GLU 
                 A 
                 1683 
                 15.469 
                 33.061 
                 43.313 
                 1.00 
                 41.64 
                 O 
               
               
                 ATOM 
                 288 
                 N 
                 THR 
                 A 
                 1684 
                 12.828 
                 28.571 
                 39.988 
                 1.00 
                 23.79 
                 N 
               
               
                 ATOM 
                 289 
                 CA 
                 THR 
                 A 
                 1684 
                 12.323 
                 27.450 
                 39.200 
                 1.00 
                 22.59 
                 C 
               
               
                 ATOM 
                 290 
                 C 
                 THR 
                 A 
                 1684 
                 12.605 
                 27.689 
                 37.725 
                 1.00 
                 22.04 
                 C 
               
               
                 ATOM 
                 291 
                 O 
                 THR 
                 A 
                 1684 
                 12.392 
                 28.788 
                 37.230 
                 1.00 
                 21.76 
                 O 
               
               
                 ATOM 
                 292 
                 CB 
                 THR 
                 A 
                 1684 
                 10.828 
                 27.366 
                 39.394 
                 1.00 
                 22.67 
                 C 
               
               
                 ATOM 
                 293 
                 OG1 
                 THR 
                 A 
                 1684 
                 10.549 
                 27.162 
                 40.788 
                 1.00 
                 22.03 
                 O 
               
               
                 ATOM 
                 294 
                 CG2 
                 THR 
                 A 
                 1684 
                 10.243 
                 26.126 
                 38.640 
                 1.00 
                 21.28 
                 C 
               
               
                 ATOM 
                 295 
                 N 
                 THR 
                 A 
                 1685 
                 13.111 
                 26.671 
                 37.037 
                 1.00 
                 22.20 
                 N 
               
               
                 ATOM 
                 296 
                 CA 
                 THR 
                 A 
                 1685 
                 13.356 
                 26.759 
                 35.619 
                 1.00 
                 22.50 
                 C 
               
               
                 ATOM 
                 297 
                 C 
                 THR 
                 A 
                 1685 
                 12.339 
                 25.966 
                 34.804 
                 1.00 
                 22.65 
                 C 
               
               
                 ATOM 
                 298 
                 O 
                 THR 
                 A 
                 1685 
                 12.127 
                 26.270 
                 33.629 
                 1.00 
                 22.47 
                 O 
               
               
                 ATOM 
                 299 
                 CB 
                 THR 
                 A 
                 1685 
                 14.743 
                 26.231 
                 35.282 
                 1.00 
                 22.28 
                 C 
               
               
                 ATOM 
                 300 
                 OG1 
                 THR 
                 A 
                 1685 
                 14.893 
                 24.913 
                 35.814 
                 1.00 
                 24.12 
                 O 
               
               
                 ATOM 
                 301 
                 CG2 
                 THR 
                 A 
                 1685 
                 15.841 
                 27.089 
                 35.989 
                 1.00 
                 22.27 
                 C 
               
               
                 ATOM 
                 302 
                 N 
                 HIS 
                 A 
                 1686 
                 11.735 
                 24.949 
                 35.425 
                 1.00 
                 22.23 
                 N 
               
               
                 ATOM 
                 303 
                 CA 
                 HIS 
                 A 
                 1686 
                 10.856 
                 24.014 
                 34.729 
                 1.00 
                 22.29 
                 C 
               
               
                 ATOM 
                 304 
                 C 
                 HIS 
                 A 
                 1686 
                 9.590 
                 23.729 
                 35.498 
                 1.00 
                 22.24 
                 C 
               
               
                 ATOM 
                 305 
                 O 
                 HIS 
                 A 
                 1686 
                 9.631 
                 23.463 
                 36.700 
                 1.00 
                 22.44 
                 O 
               
               
                 ATOM 
                 306 
                 CB 
                 HIS 
                 A 
                 1686 
                 11.529 
                 22.643 
                 34.547 
                 1.00 
                 21.81 
                 C 
               
               
                 ATOM 
                 307 
                 CG 
                 HIS 
                 A 
                 1686 
                 12.730 
                 22.639 
                 33.659 
                 1.00 
                 23.25 
                 C 
               
               
                 ATOM 
                 308 
                 ND1 
                 HIS 
                 A 
                 1686 
                 13.907 
                 23.282 
                 33.983 
                 1.00 
                 24.02 
                 N 
               
               
                 ATOM 
                 309 
                 CD2 
                 HIS 
                 A 
                 1686 
                 12.960 
                 22.008 
                 32.484 
                 1.00 
                 23.85 
                 C 
               
               
                 ATOM 
                 310 
                 CE1 
                 HIS 
                 A 
                 1686 
                 14.794 
                 23.083 
                 33.026 
                 1.00 
                 24.09 
                 C 
               
               
                 ATOM 
                 311 
                 NE2 
                 HIS 
                 A 
                 1686 
                 14.249 
                 22.303 
                 32.110 
                 1.00 
                 24.68 
                 N 
               
               
                 ATOM 
                 312 
                 N 
                 VAL 
                 A 
                 1687 
                 8.455 
                 23.760 
                 34.800 
                 1.00 
                 21.33 
                 N 
               
               
                 ATOM 
                 313 
                 CA 
                 VAL 
                 A 
                 1687 
                 7.193 
                 23.413 
                 35.404 
                 1.00 
                 20.85 
                 C 
               
               
                 ATOM 
                 314 
                 C 
                 VAL 
                 A 
                 1687 
                 6.746 
                 22.190 
                 34.611 
                 1.00 
                 21.60 
                 C 
               
               
                 ATOM 
                 315 
                 O 
                 VAL 
                 A 
                 1687 
                 6.501 
                 22.287 
                 33.410 
                 1.00 
                 21.78 
                 O 
               
               
                 ATOM 
                 316 
                 CB 
                 VAL 
                 A 
                 1687 
                 6.140 
                 24.545 
                 35.251 
                 1.00 
                 21.45 
                 C 
               
               
                 ATOM 
                 317 
                 CG1 
                 VAL 
                 A 
                 1687 
                 4.751 
                 24.080 
                 35.775 
                 1.00 
                 19.85 
                 C 
               
               
                 ATOM 
                 318 
                 CG2 
                 VAL 
                 A 
                 1687 
                 6.570 
                 25.788 
                 35.992 
                 1.00 
                 20.28 
                 C 
               
               
                 ATOM 
                 319 
                 N 
                 VAL 
                 A 
                 1688 
                 6.675 
                 21.036 
                 35.256 
                 1.00 
                 21.42 
                 N 
               
               
                 ATOM 
                 320 
                 CA 
                 VAL 
                 A 
                 1688 
                 6.325 
                 19.806 
                 34.553 
                 1.00 
                 22.22 
                 C 
               
               
                 ATOM 
                 321 
                 C 
                 VAL 
                 A 
                 1688 
                 4.828 
                 19.561 
                 34.714 
                 1.00 
                 22.17 
                 C 
               
               
                 ATOM 
                 322 
                 O 
                 VAL 
                 A 
                 1688 
                 4.344 
                 19.213 
                 35.795 
                 1.00 
                 22.13 
                 O 
               
               
                 ATOM 
                 323 
                 CB 
                 VAL 
                 A 
                 1688 
                 7.102 
                 18.605 
                 35.107 
                 1.00 
                 22.04 
                 C 
               
               
                 ATOM 
                 324 
                 CG1 
                 VAL 
                 A 
                 1688 
                 6.714 
                 17.329 
                 34.363 
                 1.00 
                 23.45 
                 C 
               
               
                 ATOM 
                 325 
                 CG2 
                 VAL 
                 A 
                 1688 
                 8.631 
                 18.867 
                 34.994 
                 1.00 
                 22.73 
                 C 
               
               
                 ATOM 
                 326 
                 N 
                 MET 
                 A 
                 1689 
                 4.097 
                 19.763 
                 33.630 
                 1.00 
                 22.26 
                 N 
               
               
                 ATOM 
                 327 
                 CA 
                 MET 
                 A 
                 1689 
                 2.641 
                 19.634 
                 33.672 
                 1.00 
                 22.34 
                 C 
               
               
                 ATOM 
                 328 
                 C 
                 MET 
                 A 
                 1689 
                 2.161 
                 18.295 
                 33.147 
                 1.00 
                 22.82 
                 C 
               
               
                 ATOM 
                 329 
                 O 
                 MET 
                 A 
                 1689 
                 2.653 
                 17.812 
                 32.137 
                 1.00 
                 22.06 
                 O 
               
               
                 ATOM 
                 330 
                 CB 
                 MET 
                 A 
                 1689 
                 1.995 
                 20.655 
                 32.733 
                 1.00 
                 22.42 
                 C 
               
               
                 ATOM 
                 331 
                 CG 
                 MET 
                 A 
                 1689 
                 2.339 
                 22.103 
                 32.947 
                 1.00 
                 21.00 
                 C 
               
               
                 ATOM 
                 332 
                 SD 
                 MET 
                 A 
                 1689 
                 1.570 
                 22.779 
                 34.399 
                 1.00 
                 21.36 
                 S 
               
               
                 ATOM 
                 333 
                 CE 
                 MET 
                 A 
                 1689 
                 −0.176 
                 22.202 
                 34.322 
                 1.00 
                 23.99 
                 C 
               
               
                 ATOM 
                 334 
                 N 
                 LYS 
                 A 
                 1690 
                 1.140 
                 17.748 
                 33.792 
                 1.00 
                 23.62 
                 N 
               
               
                 ATOM 
                 335 
                 CA 
                 LYS 
                 A 
                 1690 
                 0.445 
                 16.596 
                 33.234 
                 1.00 
                 25.55 
                 C 
               
               
                 ATOM 
                 336 
                 C 
                 LYS 
                 A 
                 1690 
                 −0.268 
                 17.100 
                 31.963 
                 1.00 
                 25.64 
                 C 
               
               
                 ATOM 
                 337 
                 O 
                 LYS 
                 A 
                 1690 
                 −0.953 
                 18.119 
                 31.994 
                 1.00 
                 25.20 
                 O 
               
               
                 ATOM 
                 338 
                 CB 
                 LYS 
                 A 
                 1690 
                 −0.605 
                 16.107 
                 34.223 
                 1.00 
                 26.03 
                 C 
               
               
                 ATOM 
                 339 
                 CG 
                 LYS 
                 A 
                 1690 
                 −1.477 
                 14.981 
                 33.698 
                 1.00 
                 29.48 
                 C 
               
               
                 ATOM 
                 340 
                 CD 
                 LYS 
                 A 
                 1690 
                 −0.635 
                 13.779 
                 33.360 
                 1.00 
                 33.58 
                 C 
               
               
                 ATOM 
                 341 
                 CE 
                 LYS 
                 A 
                 1690 
                 −1.483 
                 12.536 
                 33.133 
                 1.00 
                 37.81 
                 C 
               
               
                 ATOM 
                 342 
                 NZ 
                 LYS 
                 A 
                 1690 
                 −0.647 
                 11.273 
                 33.107 
                 1.00 
                 40.65 
                 N 
               
               
                 ATOM 
                 343 
                 N 
                 THR 
                 A 
                 1691 
                 −0.081 
                 16.395 
                 30.850 
                 1.00 
                 26.37 
                 N 
               
               
                 ATOM 
                 344 
                 CA 
                 THR 
                 A 
                 1691 
                 −0.747 
                 16.736 
                 29.598 
                 1.00 
                 27.47 
                 C 
               
               
                 ATOM 
                 345 
                 C 
                 THR 
                 A 
                 1691 
                 −1.366 
                 15.488 
                 28.971 
                 1.00 
                 28.22 
                 C 
               
               
                 ATOM 
                 346 
                 O 
                 THR 
                 A 
                 1691 
                 −1.142 
                 14.352 
                 29.421 
                 1.00 
                 28.13 
                 O 
               
               
                 ATOM 
                 347 
                 CB 
                 THR 
                 A 
                 1691 
                 0.224 
                 17.340 
                 28.545 
                 1.00 
                 26.46 
                 C 
               
               
                 ATOM 
                 348 
                 OG1 
                 THR 
                 A 
                 1691 
                 1.117 
                 16.330 
                 28.052 
                 1.00 
                 27.31 
                 O 
               
               
                 ATOM 
                 349 
                 CG2 
                 THR 
                 A 
                 1691 
                 1.153 
                 18.411 
                 29.136 
                 1.00 
                 26.70 
                 C 
               
               
                 ATOM 
                 350 
                 N 
                 ASP 
                 A 
                 1692 
                 −2.126 
                 15.722 
                 27.912 
                 1.00 
                 29.46 
                 N 
               
               
                 ATOM 
                 351 
                 CA 
                 ASP 
                 A 
                 1692 
                 −2.626 
                 14.643 
                 27.086 
                 1.00 
                 30.31 
                 C 
               
               
                 ATOM 
                 352 
                 C 
                 ASP 
                 A 
                 1692 
                 −1.538 
                 14.384 
                 26.030 
                 1.00 
                 31.07 
                 C 
               
               
                 ATOM 
                 353 
                 O 
                 ASP 
                 A 
                 1692 
                 −0.463 
                 15.018 
                 26.058 
                 1.00 
                 30.12 
                 O 
               
               
                 ATOM 
                 354 
                 CB 
                 ASP 
                 A 
                 1692 
                 −4.006 
                 14.997 
                 26.492 
                 1.00 
                 30.67 
                 C 
               
               
                 ATOM 
                 355 
                 CG 
                 ASP 
                 A 
                 1692 
                 −3.938 
                 16.065 
                 25.425 
                 1.00 
                 31.94 
                 C 
               
               
                 ATOM 
                 356 
                 OD1 
                 ASP 
                 A 
                 1692 
                 −2.836 
                 16.523 
                 25.075 
                 1.00 
                 30.65 
                 O 
               
               
                 ATOM 
                 357 
                 OD2 
                 ASP 
                 A 
                 1692 
                 −4.958 
                 16.496 
                 24.851 
                 1.00 
                 33.80 
                 O 
               
               
                 ATOM 
                 358 
                 N 
                 ALA 
                 A 
                 1693 
                 −1.770 
                 13.447 
                 25.113 
                 1.00 
                 31.57 
                 N 
               
               
                 ATOM 
                 359 
                 CA 
                 ALA 
                 A 
                 1693 
                 −0.712 
                 13.074 
                 24.165 
                 1.00 
                 31.83 
                 C 
               
               
                 ATOM 
                 360 
                 C 
                 ALA 
                 A 
                 1693 
                 −0.273 
                 14.167 
                 23.203 
                 1.00 
                 31.90 
                 C 
               
               
                 ATOM 
                 361 
                 O 
                 ALA 
                 A 
                 1693 
                 0.763 
                 14.047 
                 22.559 
                 1.00 
                 33.24 
                 O 
               
               
                 ATOM 
                 362 
                 CB 
                 ALA 
                 A 
                 1693 
                 −1.086 
                 11.776 
                 23.387 
                 1.00 
                 32.02 
                 C 
               
               
                 ATOM 
                 363 
                 N 
                 GLU 
                 A 
                 1694 
                 −1.056 
                 15.229 
                 23.098 
                 1.00 
                 32.07 
                 N 
               
               
                 ATOM 
                 364 
                 CA 
                 GLU 
                 A 
                 1694 
                 −0.715 
                 16.332 
                 22.200 
                 1.00 
                 32.13 
                 C 
               
               
                 ATOM 
                 365 
                 C 
                 GLU 
                 A 
                 1694 
                 −0.143 
                 17.522 
                 22.973 
                 1.00 
                 31.43 
                 C 
               
               
                 ATOM 
                 366 
                 O 
                 GLU 
                 A 
                 1694 
                 −0.069 
                 18.648 
                 22.455 
                 1.00 
                 31.29 
                 O 
               
               
                 ATOM 
                 367 
                 CB 
                 GLU 
                 A 
                 1694 
                 −1.938 
                 16.761 
                 21.394 
                 1.00 
                 32.51 
                 C 
               
               
                 ATOM 
                 368 
                 CG 
                 GLU 
                 A 
                 1694 
                 −2.199 
                 15.883 
                 20.177 
                 1.00 
                 36.64 
                 C 
               
               
                 ATOM 
                 369 
                 CD 
                 GLU 
                 A 
                 1694 
                 −3.629 
                 15.983 
                 19.665 
                 1.00 
                 40.87 
                 C 
               
               
                 ATOM 
                 370 
                 OE1 
                 GLU 
                 A 
                 1694 
                 −4.448 
                 16.711 
                 20.268 
                 1.00 
                 43.24 
                 O 
               
               
                 ATOM 
                 371 
                 OE2 
                 GLU 
                 A 
                 1694 
                 −3.948 
                 15.301 
                 18.659 
                 1.00 
                 45.34 
                 O 
               
               
                 ATOM 
                 372 
                 N 
                 PHE 
                 A 
                 1695 
                 0.262 
                 17.258 
                 24.209 
                 1.00 
                 30.33 
                 N 
               
               
                 ATOM 
                 373 
                 CA 
                 PHE 
                 A 
                 1695 
                 0.907 
                 18.267 
                 25.044 
                 1.00 
                 29.76 
                 C 
               
               
                 ATOM 
                 374 
                 C 
                 PHE 
                 A 
                 1695 
                 −0.009 
                 19.435 
                 25.420 
                 1.00 
                 28.82 
                 C 
               
               
                 ATOM 
                 375 
                 O 
                 PHE 
                 A 
                 1695 
                 0.433 
                 20.586 
                 25.460 
                 1.00 
                 28.63 
                 O 
               
               
                 ATOM 
                 376 
                 CB 
                 PHE 
                 A 
                 1695 
                 2.191 
                 18.765 
                 24.380 
                 1.00 
                 30.46 
                 C 
               
               
                 ATOM 
                 377 
                 CG 
                 PHE 
                 A 
                 1695 
                 3.214 
                 17.676 
                 24.152 
                 1.00 
                 32.35 
                 C 
               
               
                 ATOM 
                 378 
                 CD1 
                 PHE 
                 A 
                 1695 
                 4.097 
                 17.744 
                 23.096 
                 1.00 
                 34.87 
                 C 
               
               
                 ATOM 
                 379 
                 CD2 
                 PHE 
                 A 
                 1695 
                 3.276 
                 16.584 
                 25.002 
                 1.00 
                 33.51 
                 C 
               
               
                 ATOM 
                 380 
                 CE1 
                 PHE 
                 A 
                 1695 
                 5.041 
                 16.741 
                 22.886 
                 1.00 
                 37.03 
                 C 
               
               
                 ATOM 
                 381 
                 CE2 
                 PHE 
                 A 
                 1695 
                 4.209 
                 15.575 
                 24.800 
                 1.00 
                 35.91 
                 C 
               
               
                 ATOM 
                 382 
                 CZ 
                 PHE 
                 A 
                 1695 
                 5.091 
                 15.656 
                 23.742 
                 1.00 
                 36.18 
                 C 
               
               
                 ATOM 
                 383 
                 N 
                 VAL 
                 A 
                 1696 
                 −1.269 
                 19.115 
                 25.714 
                 1.00 
                 27.46 
                 N 
               
               
                 ATOM 
                 384 
                 CA 
                 VAL 
                 A 
                 1696 
                 −2.256 
                 20.088 
                 26.177 
                 1.00 
                 26.34 
                 C 
               
               
                 ATOM 
                 385 
                 C 
                 VAL 
                 A 
                 1696 
                 −2.547 
                 19.834 
                 27.643 
                 1.00 
                 26.15 
                 C 
               
               
                 ATOM 
                 386 
                 O 
                 VAL 
                 A 
                 1696 
                 −2.847 
                 18.695 
                 28.031 
                 1.00 
                 25.67 
                 O 
               
               
                 ATOM 
                 387 
                 CB 
                 VAL 
                 A 
                 1696 
                 −3.575 
                 19.919 
                 25.419 
                 1.00 
                 26.30 
                 C 
               
               
                 ATOM 
                 388 
                 CG1 
                 VAL 
                 A 
                 1696 
                 −4.613 
                 20.873 
                 25.965 
                 1.00 
                 27.23 
                 C 
               
               
                 ATOM 
                 389 
                 CG2 
                 VAL 
                 A 
                 1696 
                 −3.347 
                 20.146 
                 23.922 
                 1.00 
                 26.66 
                 C 
               
               
                 ATOM 
                 390 
                 N 
                 CYS 
                 A 
                 1697 
                 −2.478 
                 20.884 
                 28.461 
                 1.00 
                 25.76 
                 N 
               
               
                 ATOM 
                 391 
                 CA 
                 CYS 
                 A 
                 1697 
                 −2.659 
                 20.727 
                 29.907 
                 1.00 
                 25.77 
                 C 
               
               
                 ATOM 
                 392 
                 C 
                 CYS 
                 A 
                 1697 
                 −3.849 
                 21.495 
                 30.461 
                 1.00 
                 25.66 
                 C 
               
               
                 ATOM 
                 393 
                 O 
                 CYS 
                 A 
                 1697 
                 −4.570 
                 22.195 
                 29.739 
                 1.00 
                 26.07 
                 O 
               
               
                 ATOM 
                 394 
                 CB 
                 CYS 
                 A 
                 1697 
                 −1.401 
                 21.198 
                 30.648 
                 1.00 
                 25.57 
                 C 
               
               
                 ATOM 
                 395 
                 SG 
                 CYS 
                 A 
                 1697 
                 −1.058 
                 22.988 
                 30.437 
                 1.00 
                 25.15 
                 S 
               
               
                 ATOM 
                 396 
                 N 
                 GLU 
                 A 
                 1698 
                 −4.035 
                 21.361 
                 31.764 
                 1.00 
                 25.40 
                 N 
               
               
                 ATOM 
                 397 
                 CA 
                 GLU 
                 A 
                 1698 
                 −5.052 
                 22.080 
                 32.494 
                 1.00 
                 25.79 
                 C 
               
               
                 ATOM 
                 398 
                 C 
                 GLU 
                 A 
                 1698 
                 −4.429 
                 23.376 
                 32.999 
                 1.00 
                 25.04 
                 C 
               
               
                 ATOM 
                 399 
                 O 
                 GLU 
                 A 
                 1698 
                 −3.221 
                 23.403 
                 33.272 
                 1.00 
                 25.41 
                 O 
               
               
                 ATOM 
                 400 
                 CB 
                 GLU 
                 A 
                 1698 
                 −5.511 
                 21.288 
                 33.709 
                 1.00 
                 26.56 
                 C 
               
               
                 ATOM 
                 401 
                 CG 
                 GLU 
                 A 
                 1698 
                 −6.027 
                 19.885 
                 33.408 
                 1.00 
                 29.71 
                 C 
               
               
                 ATOM 
                 402 
                 CD 
                 GLU 
                 A 
                 1698 
                 −7.536 
                 19.854 
                 33.227 
                 1.00 
                 35.07 
                 C 
               
               
                 ATOM 
                 403 
                 OE1 
                 GLU 
                 A 
                 1698 
                 −8.084 
                 18.747 
                 33.042 
                 1.00 
                 38.52 
                 O 
               
               
                 ATOM 
                 404 
                 OE2 
                 GLU 
                 A 
                 1698 
                 −8.172 
                 20.925 
                 33.276 
                 1.00 
                 35.88 
                 O 
               
               
                 ATOM 
                 405 
                 N 
                 ARG 
                 A 
                 1699 
                 −5.240 
                 24.415 
                 33.147 
                 1.00 
                 23.34 
                 N 
               
               
                 ATOM 
                 406 
                 CA 
                 ARG 
                 A 
                 1699 
                 −4.765 
                 25.689 
                 33.671 
                 1.00 
                 23.38 
                 C 
               
               
                 ATOM 
                 407 
                 C 
                 ARG 
                 A 
                 1699 
                 −4.728 
                 25.643 
                 35.186 
                 1.00 
                 23.32 
                 C 
               
               
                 ATOM 
                 408 
                 O 
                 ARG 
                 A 
                 1699 
                 −5.783 
                 25.723 
                 35.848 
                 1.00 
                 23.77 
                 O 
               
               
                 ATOM 
                 409 
                 CB 
                 ARG 
                 A 
                 1699 
                 −5.672 
                 26.845 
                 33.226 
                 1.00 
                 23.24 
                 C 
               
               
                 ATOM 
                 410 
                 CG 
                 ARG 
                 A 
                 1699 
                 −5.728 
                 27.087 
                 31.724 
                 1.00 
                 23.08 
                 C 
               
               
                 ATOM 
                 411 
                 CD 
                 ARG 
                 A 
                 1699 
                 −6.177 
                 28.513 
                 31.333 
                 1.00 
                 21.06 
                 C 
               
               
                 ATOM 
                 412 
                 NE 
                 ARG 
                 A 
                 1699 
                 −7.466 
                 28.900 
                 31.915 
                 1.00 
                 24.04 
                 N 
               
               
                 ATOM 
                 413 
                 CZ 
                 ARG 
                 A 
                 1699 
                 −8.030 
                 30.100 
                 31.750 
                 1.00 
                 23.60 
                 C 
               
               
                 ATOM 
                 414 
                 NH1 
                 ARG 
                 A 
                 1699 
                 −7.412 
                 31.027 
                 31.038 
                 1.00 
                 22.34 
                 N 
               
               
                 ATOM 
                 415 
                 NH2 
                 ARG 
                 A 
                 1699 
                 −9.202 
                 30.379 
                 32.306 
                 1.00 
                 26.85 
                 N 
               
               
                 ATOM 
                 416 
                 N 
                 THR 
                 A 
                 1700 
                 −3.525 
                 25.484 
                 35.733 
                 1.00 
                 23.00 
                 N 
               
               
                 ATOM 
                 417 
                 CA 
                 THR 
                 A 
                 1700 
                 −3.304 
                 25.581 
                 37.162 
                 1.00 
                 22.49 
                 C 
               
               
                 ATOM 
                 418 
                 C 
                 THR 
                 A 
                 1700 
                 −2.518 
                 26.849 
                 37.474 
                 1.00 
                 22.18 
                 C 
               
               
                 ATOM 
                 419 
                 O 
                 THR 
                 A 
                 1700 
                 −1.971 
                 27.496 
                 36.570 
                 1.00 
                 22.02 
                 O 
               
               
                 ATOM 
                 420 
                 CB 
                 THR 
                 A 
                 1700 
                 −2.488 
                 24.387 
                 37.687 
                 1.00 
                 22.62 
                 C 
               
               
                 ATOM 
                 421 
                 OG1 
                 THR 
                 A 
                 1700 
                 −1.195 
                 24.364 
                 37.062 
                 1.00 
                 21.16 
                 O 
               
               
                 ATOM 
                 422 
                 CG2 
                 THR 
                 A 
                 1700 
                 −3.153 
                 23.041 
                 37.288 
                 1.00 
                 22.97 
                 C 
               
               
                 ATOM 
                 423 
                 N 
                 LEU 
                 A 
                 1701 
                 −2.464 
                 27.209 
                 38.756 
                 1.00 
                 21.41 
                 N 
               
               
                 ATOM 
                 424 
                 CA 
                 LEU 
                 A 
                 1701 
                 −1.682 
                 28.380 
                 39.170 
                 1.00 
                 21.28 
                 C 
               
               
                 ATOM 
                 425 
                 C 
                 LEU 
                 A 
                 1701 
                 −0.215 
                 28.229 
                 38.742 
                 1.00 
                 21.03 
                 C 
               
               
                 ATOM 
                 426 
                 O 
                 LEU 
                 A 
                 1701 
                 0.411 
                 29.185 
                 38.266 
                 1.00 
                 19.46 
                 O 
               
               
                 ATOM 
                 427 
                 CB 
                 LEU 
                 A 
                 1701 
                 −1.771 
                 28.584 
                 40.679 
                 1.00 
                 21.44 
                 C 
               
               
                 ATOM 
                 428 
                 CG 
                 LEU 
                 A 
                 1701 
                 −0.943 
                 29.739 
                 41.248 
                 1.00 
                 22.41 
                 C 
               
               
                 ATOM 
                 429 
                 CD1 
                 LEU 
                 A 
                 1701 
                 −1.233 
                 31.072 
                 40.481 
                 1.00 
                 24.93 
                 C 
               
               
                 ATOM 
                 430 
                 CD2 
                 LEU 
                 A 
                 1701 
                 −1.225 
                 29.923 
                 42.738 
                 1.00 
                 24.85 
                 C 
               
               
                 ATOM 
                 431 
                 N 
                 LYS 
                 A 
                 1702 
                 0.335 
                 27.036 
                 38.910 
                 1.00 
                 21.07 
                 N 
               
               
                 ATOM 
                 432 
                 CA 
                 LYS 
                 A 
                 1702 
                 1.730 
                 26.789 
                 38.500 
                 1.00 
                 21.06 
                 C 
               
               
                 ATOM 
                 433 
                 C 
                 LYS 
                 A 
                 1702 
                 1.941 
                 26.935 
                 36.992 
                 1.00 
                 21.34 
                 C 
               
               
                 ATOM 
                 434 
                 O 
                 LYS 
                 A 
                 1702 
                 3.007 
                 27.388 
                 36.548 
                 1.00 
                 21.87 
                 O 
               
               
                 ATOM 
                 435 
                 CB 
                 LYS 
                 A 
                 1702 
                 2.202 
                 25.406 
                 38.957 
                 1.00 
                 20.84 
                 C 
               
               
                 ATOM 
                 436 
                 CG 
                 LYS 
                 A 
                 1702 
                 2.683 
                 25.335 
                 40.409 
                 1.00 
                 22.93 
                 C 
               
               
                 ATOM 
                 437 
                 CD 
                 LYS 
                 A 
                 1702 
                 2.856 
                 23.856 
                 40.785 
                 1.00 
                 26.66 
                 C 
               
               
                 ATOM 
                 438 
                 CE 
                 LYS 
                 A 
                 1702 
                 3.409 
                 23.668 
                 42.189 
                 1.00 
                 29.07 
                 C 
               
               
                 ATOM 
                 439 
                 NZ 
                 LYS 
                 A 
                 1702 
                 3.288 
                 22.244 
                 42.623 
                 1.00 
                 28.40 
                 N 
               
               
                 ATOM 
                 440 
                 N 
                 TYR 
                 A 
                 1703 
                 0.948 
                 26.515 
                 36.207 
                 1.00 
                 20.21 
                 N 
               
               
                 ATOM 
                 441 
                 CA 
                 TYR 
                 A 
                 1703 
                 0.986 
                 26.735 
                 34.762 
                 1.00 
                 20.07 
                 C 
               
               
                 ATOM 
                 442 
                 C 
                 TYR 
                 A 
                 1703 
                 1.091 
                 28.240 
                 34.474 
                 1.00 
                 19.96 
                 C 
               
               
                 ATOM 
                 443 
                 O 
                 TYR 
                 A 
                 1703 
                 1.946 
                 28.676 
                 33.709 
                 1.00 
                 19.76 
                 O 
               
               
                 ATOM 
                 444 
                 CB 
                 TYR 
                 A 
                 1703 
                 −0.284 
                 26.150 
                 34.120 
                 1.00 
                 19.81 
                 C 
               
               
                 ATOM 
                 445 
                 CG 
                 TYR 
                 A 
                 1703 
                 −0.563 
                 26.468 
                 32.646 
                 1.00 
                 20.24 
                 C 
               
               
                 ATOM 
                 446 
                 CD1 
                 TYR 
                 A 
                 1703 
                 0.217 
                 25.914 
                 31.647 
                 1.00 
                 21.50 
                 C 
               
               
                 ATOM 
                 447 
                 CD2 
                 TYR 
                 A 
                 1703 
                 −1.640 
                 27.283 
                 32.257 
                 1.00 
                 23.08 
                 C 
               
               
                 ATOM 
                 448 
                 CE1 
                 TYR 
                 A 
                 1703 
                 −0.027 
                 26.145 
                 30.308 
                 1.00 
                 23.12 
                 C 
               
               
                 ATOM 
                 449 
                 CE2 
                 TYR 
                 A 
                 1703 
                 −1.902 
                 27.531 
                 30.902 
                 1.00 
                 22.29 
                 C 
               
               
                 ATOM 
                 450 
                 CZ 
                 TYR 
                 A 
                 1703 
                 −1.093 
                 26.956 
                 29.939 
                 1.00 
                 24.64 
                 C 
               
               
                 ATOM 
                 451 
                 OH 
                 TYR 
                 A 
                 1703 
                 −1.288 
                 27.195 
                 28.596 
                 1.00 
                 24.68 
                 O 
               
               
                 ATOM 
                 452 
                 N 
                 PHE 
                 A 
                 1704 
                 0.216 
                 29.039 
                 35.089 
                 1.00 
                 20.41 
                 N 
               
               
                 ATOM 
                 453 
                 CA 
                 PHE 
                 A 
                 1704 
                 0.206 
                 30.483 
                 34.824 
                 1.00 
                 20.31 
                 C 
               
               
                 ATOM 
                 454 
                 C 
                 PHE 
                 A 
                 1704 
                 1.526 
                 31.143 
                 35.237 
                 1.00 
                 20.81 
                 C 
               
               
                 ATOM 
                 455 
                 O 
                 PHE 
                 A 
                 1704 
                 2.066 
                 32.006 
                 34.534 
                 1.00 
                 20.33 
                 O 
               
               
                 ATOM 
                 456 
                 CB 
                 PHE 
                 A 
                 1704 
                 −0.901 
                 31.171 
                 35.624 
                 1.00 
                 19.51 
                 C 
               
               
                 ATOM 
                 457 
                 CG 
                 PHE 
                 A 
                 1704 
                 −2.280 
                 30.893 
                 35.124 
                 1.00 
                 21.69 
                 C 
               
               
                 ATOM 
                 458 
                 CD1 
                 PHE 
                 A 
                 1704 
                 −3.223 
                 30.318 
                 35.959 
                 1.00 
                 20.66 
                 C 
               
               
                 ATOM 
                 459 
                 CD2 
                 PHE 
                 A 
                 1704 
                 −2.651 
                 31.222 
                 33.819 
                 1.00 
                 20.16 
                 C 
               
               
                 ATOM 
                 460 
                 CE1 
                 PHE 
                 A 
                 1704 
                 −4.510 
                 30.070 
                 35.503 
                 1.00 
                 20.61 
                 C 
               
               
                 ATOM 
                 461 
                 CE2 
                 PHE 
                 A 
                 1704 
                 −3.933 
                 30.978 
                 33.363 
                 1.00 
                 20.80 
                 C 
               
               
                 ATOM 
                 462 
                 CZ 
                 PHE 
                 A 
                 1704 
                 −4.862 
                 30.403 
                 34.201 
                 1.00 
                 19.93 
                 C 
               
               
                 ATOM 
                 463 
                 N 
                 LEU 
                 A 
                 1705 
                 1.997 
                 30.787 
                 36.422 
                 1.00 
                 20.01 
                 N 
               
               
                 ATOM 
                 464 
                 CA 
                 LEU 
                 A 
                 1705 
                 3.213 
                 31.397 
                 36.934 
                 1.00 
                 20.31 
                 C 
               
               
                 ATOM 
                 465 
                 C 
                 LEU 
                 A 
                 1705 
                 4.428 
                 30.950 
                 36.125 
                 1.00 
                 20.24 
                 C 
               
               
                 ATOM 
                 466 
                 O 
                 LEU 
                 A 
                 1705 
                 5.375 
                 31.714 
                 35.969 
                 1.00 
                 20.22 
                 O 
               
               
                 ATOM 
                 467 
                 CB 
                 LEU 
                 A 
                 1705 
                 3.402 
                 31.071 
                 38.427 
                 1.00 
                 20.87 
                 C 
               
               
                 ATOM 
                 468 
                 CG 
                 LEU 
                 A 
                 1705 
                 2.374 
                 31.696 
                 39.380 
                 1.00 
                 20.79 
                 C 
               
               
                 ATOM 
                 469 
                 CD1 
                 LEU 
                 A 
                 1705 
                 2.540 
                 31.143 
                 40.792 
                 1.00 
                 20.90 
                 C 
               
               
                 ATOM 
                 470 
                 CD2 
                 LEU 
                 A 
                 1705 
                 2.464 
                 33.246 
                 39.405 
                 1.00 
                 21.34 
                 C 
               
               
                 ATOM 
                 471 
                 N 
                 GLY 
                 A 
                 1706 
                 4.413 
                 29.708 
                 35.647 
                 1.00 
                 19.39 
                 N 
               
               
                 ATOM 
                 472 
                 CA 
                 GLY 
                 A 
                 1706 
                 5.485 
                 29.208 
                 34.805 
                 1.00 
                 20.05 
                 C 
               
               
                 ATOM 
                 473 
                 C 
                 GLY 
                 A 
                 1706 
                 5.607 
                 30.040 
                 33.546 
                 1.00 
                 20.85 
                 C 
               
               
                 ATOM 
                 474 
                 O 
                 GLY 
                 A 
                 1706 
                 6.693 
                 30.522 
                 33.217 
                 1.00 
                 20.83 
                 O 
               
               
                 ATOM 
                 475 
                 N 
                 ILE 
                 A 
                 1707 
                 4.490 
                 30.229 
                 32.852 
                 1.00 
                 20.24 
                 N 
               
               
                 ATOM 
                 476 
                 CA 
                 ILE 
                 A 
                 1707 
                 4.482 
                 31.055 
                 31.654 
                 1.00 
                 20.50 
                 C 
               
               
                 ATOM 
                 477 
                 C 
                 ILE 
                 A 
                 1707 
                 4.835 
                 32.496 
                 32.017 
                 1.00 
                 20.72 
                 C 
               
               
                 ATOM 
                 478 
                 O 
                 ILE 
                 A 
                 1707 
                 5.659 
                 33.113 
                 31.355 
                 1.00 
                 21.45 
                 O 
               
               
                 ATOM 
                 479 
                 CB 
                 ILE 
                 A 
                 1707 
                 3.109 
                 31.024 
                 30.963 
                 1.00 
                 20.35 
                 C 
               
               
                 ATOM 
                 480 
                 CG1 
                 ILE 
                 A 
                 1707 
                 2.826 
                 29.628 
                 30.430 
                 1.00 
                 20.76 
                 C 
               
               
                 ATOM 
                 481 
                 CG2 
                 ILE 
                 A 
                 1707 
                 3.028 
                 32.074 
                 29.821 
                 1.00 
                 20.87 
                 C 
               
               
                 ATOM 
                 482 
                 CD1 
                 ILE 
                 A 
                 1707 
                 1.355 
                 29.426 
                 29.970 
                 1.00 
                 20.85 
                 C 
               
               
                 ATOM 
                 483 
                 N 
                 ALA 
                 A 
                 1708 
                 4.215 
                 33.037 
                 33.065 
                 1.00 
                 21.43 
                 N 
               
               
                 ATOM 
                 484 
                 CA 
                 ALA 
                 A 
                 1708 
                 4.499 
                 34.419 
                 33.462 
                 1.00 
                 21.67 
                 C 
               
               
                 ATOM 
                 485 
                 C 
                 ALA 
                 A 
                 1708 
                 5.982 
                 34.623 
                 33.729 
                 1.00 
                 22.15 
                 C 
               
               
                 ATOM 
                 486 
                 O 
                 ALA 
                 A 
                 1708 
                 6.518 
                 35.700 
                 33.464 
                 1.00 
                 22.03 
                 O 
               
               
                 ATOM 
                 487 
                 CB 
                 ALA 
                 A 
                 1708 
                 3.680 
                 34.842 
                 34.682 
                 1.00 
                 22.63 
                 C 
               
               
                 ATOM 
                 488 
                 N 
                 GLY 
                 A 
                 1709 
                 6.655 
                 33.598 
                 34.240 
                 1.00 
                 21.49 
                 N 
               
               
                 ATOM 
                 489 
                 CA 
                 GLY 
                 A 
                 1709 
                 8.072 
                 33.707 
                 34.538 
                 1.00 
                 21.26 
                 C 
               
               
                 ATOM 
                 490 
                 C 
                 GLY 
                 A 
                 1709 
                 9.010 
                 33.337 
                 33.400 
                 1.00 
                 21.16 
                 C 
               
               
                 ATOM 
                 491 
                 O 
                 GLY 
                 A 
                 1709 
                 10.241 
                 33.296 
                 33.572 
                 1.00 
                 20.59 
                 O 
               
               
                 ATOM 
                 492 
                 N 
                 GLY 
                 A 
                 1710 
                 8.432 
                 33.051 
                 32.237 
                 1.00 
                 20.37 
                 N 
               
               
                 ATOM 
                 493 
                 CA 
                 GLY 
                 A 
                 1710 
                 9.202 
                 32.698 
                 31.058 
                 1.00 
                 20.60 
                 C 
               
               
                 ATOM 
                 494 
                 C 
                 GLY 
                 A 
                 1710 
                 9.948 
                 31.380 
                 31.205 
                 1.00 
                 20.86 
                 C 
               
               
                 ATOM 
                 495 
                 O 
                 GLY 
                 A 
                 1710 
                 10.968 
                 31.165 
                 30.553 
                 1.00 
                 20.62 
                 O 
               
               
                 ATOM 
                 496 
                 N 
                 LYS 
                 A 
                 1711 
                 9.435 
                 30.493 
                 32.060 
                 1.00 
                 20.95 
                 N 
               
               
                 ATOM 
                 497 
                 CA 
                 LYS 
                 A 
                 1711 
                 10.079 
                 29.197 
                 32.366 
                 1.00 
                 21.11 
                 C 
               
               
                 ATOM 
                 498 
                 C 
                 LYS 
                 A 
                 1711 
                 9.794 
                 28.147 
                 31.300 
                 1.00 
                 22.21 
                 C 
               
               
                 ATOM 
                 499 
                 O 
                 LYS 
                 A 
                 1711 
                 8.994 
                 28.387 
                 30.394 
                 1.00 
                 21.97 
                 O 
               
               
                 ATOM 
                 500 
                 CB 
                 LYS 
                 A 
                 1711 
                 9.580 
                 28.674 
                 33.729 
                 1.00 
                 20.90 
                 C 
               
               
                 ATOM 
                 501 
                 CG 
                 LYS 
                 A 
                 1711 
                 9.688 
                 29.696 
                 34.875 
                 1.00 
                 20.67 
                 C 
               
               
                 ATOM 
                 502 
                 CD 
                 LYS 
                 A 
                 1711 
                 9.203 
                 29.085 
                 36.205 
                 1.00 
                 20.89 
                 C 
               
               
                 ATOM 
                 503 
                 CE 
                 LYS 
                 A 
                 1711 
                 9.101 
                 30.141 
                 37.337 
                 1.00 
                 21.43 
                 C 
               
               
                 ATOM 
                 504 
                 NZ 
                 LYS 
                 A 
                 1711 
                 10.410 
                 30.822 
                 37.623 
                 1.00 
                 21.62 
                 N 
               
               
                 ATOM 
                 505 
                 N 
                 TRP 
                 A 
                 1712 
                 10.476 
                 27.008 
                 31.390 
                 1.00 
                 22.17 
                 N 
               
               
                 ATOM 
                 506 
                 CA 
                 TRP 
                 A 
                 1712 
                 10.157 
                 25.876 
                 30.542 
                 1.00 
                 23.46 
                 C 
               
               
                 ATOM 
                 507 
                 C 
                 TRP 
                 A 
                 1712 
                 8.896 
                 25.245 
                 31.085 
                 1.00 
                 23.84 
                 C 
               
               
                 ATOM 
                 508 
                 O 
                 TRP 
                 A 
                 1712 
                 8.871 
                 24.771 
                 32.223 
                 1.00 
                 24.14 
                 O 
               
               
                 ATOM 
                 509 
                 CB 
                 TRP 
                 A 
                 1712 
                 11.251 
                 24.820 
                 30.590 
                 1.00 
                 23.18 
                 C 
               
               
                 ATOM 
                 510 
                 CG 
                 TRP 
                 A 
                 1712 
                 12.374 
                 25.069 
                 29.677 
                 1.00 
                 25.43 
                 C 
               
               
                 ATOM 
                 511 
                 CD1 
                 TRP 
                 A 
                 1712 
                 13.678 
                 25.337 
                 30.019 
                 1.00 
                 26.48 
                 C 
               
               
                 ATOM 
                 512 
                 CD2 
                 TRP 
                 A 
                 1712 
                 12.327 
                 25.068 
                 28.250 
                 1.00 
                 25.38 
                 C 
               
               
                 ATOM 
                 513 
                 NE1 
                 TRP 
                 A 
                 1712 
                 14.433 
                 25.511 
                 28.883 
                 1.00 
                 25.81 
                 N 
               
               
                 ATOM 
                 514 
                 CE2 
                 TRP 
                 A 
                 1712 
                 13.627 
                 25.344 
                 27.785 
                 1.00 
                 28.43 
                 C 
               
               
                 ATOM 
                 515 
                 CE3 
                 TRP 
                 A 
                 1712 
                 11.312 
                 24.854 
                 27.309 
                 1.00 
                 25.07 
                 C 
               
               
                 ATOM 
                 516 
                 CZ2 
                 TRP 
                 A 
                 1712 
                 13.935 
                 25.408 
                 26.426 
                 1.00 
                 27.08 
                 C 
               
               
                 ATOM 
                 517 
                 CZ3 
                 TRP 
                 A 
                 1712 
                 11.620 
                 24.946 
                 25.960 
                 1.00 
                 24.41 
                 C 
               
               
                 ATOM 
                 518 
                 CH2 
                 TRP 
                 A 
                 1712 
                 12.914 
                 25.207 
                 25.537 
                 1.00 
                 27.04 
                 C 
               
               
                 ATOM 
                 519 
                 N 
                 VAL 
                 A 
                 1713 
                 7.851 
                 25.227 
                 30.278 
                 1.00 
                 23.20 
                 N 
               
               
                 ATOM 
                 520 
                 CA 
                 VAL 
                 A 
                 1713 
                 6.612 
                 24.590 
                 30.687 
                 1.00 
                 23.43 
                 C 
               
               
                 ATOM 
                 521 
                 C 
                 VAL 
                 A 
                 1713 
                 6.478 
                 23.366 
                 29.784 
                 1.00 
                 23.67 
                 C 
               
               
                 ATOM 
                 522 
                 O 
                 VAL 
                 A 
                 1713 
                 6.119 
                 23.477 
                 28.620 
                 1.00 
                 23.51 
                 O 
               
               
                 ATOM 
                 523 
                 CB 
                 VAL 
                 A 
                 1713 
                 5.416 
                 25.546 
                 30.566 
                 1.00 
                 23.85 
                 C 
               
               
                 ATOM 
                 524 
                 CG1 
                 VAL 
                 A 
                 1713 
                 4.116 
                 24.891 
                 31.096 
                 1.00 
                 22.67 
                 C 
               
               
                 ATOM 
                 525 
                 CG2 
                 VAL 
                 A 
                 1713 
                 5.695 
                 26.859 
                 31.310 
                 1.00 
                 22.94 
                 C 
               
               
                 ATOM 
                 526 
                 N 
                 VAL 
                 A 
                 1714 
                 6.778 
                 22.199 
                 30.349 
                 1.00 
                 23.35 
                 N 
               
               
                 ATOM 
                 527 
                 CA 
                 VAL 
                 A 
                 1714 
                 6.914 
                 20.969 
                 29.586 
                 1.00 
                 23.64 
                 C 
               
               
                 ATOM 
                 528 
                 C 
                 VAL 
                 A 
                 1714 
                 6.024 
                 19.865 
                 30.092 
                 1.00 
                 23.92 
                 C 
               
               
                 ATOM 
                 529 
                 O 
                 VAL 
                 A 
                 1714 
                 5.615 
                 19.859 
                 31.260 
                 1.00 
                 24.03 
                 O 
               
               
                 ATOM 
                 530 
                 CB 
                 VAL 
                 A 
                 1714 
                 8.372 
                 20.455 
                 29.653 
                 1.00 
                 24.06 
                 C 
               
               
                 ATOM 
                 531 
                 CG1 
                 VAL 
                 A 
                 1714 
                 9.341 
                 21.534 
                 29.107 
                 1.00 
                 23.74 
                 C 
               
               
                 ATOM 
                 532 
                 CG2 
                 VAL 
                 A 
                 1714 
                 8.732 
                 20.071 
                 31.075 
                 1.00 
                 25.07 
                 C 
               
               
                 ATOM 
                 533 
                 N 
                 SER 
                 A 
                 1715 
                 5.734 
                 18.916 
                 29.213 
                 1.00 
                 24.41 
                 N 
               
               
                 ATOM 
                 534 
                 CA 
                 SER 
                 A 
                 1715 
                 4.889 
                 17.780 
                 29.570 
                 1.00 
                 24.54 
                 C 
               
               
                 ATOM 
                 535 
                 C 
                 SER 
                 A 
                 1715 
                 5.593 
                 16.773 
                 30.451 
                 1.00 
                 24.94 
                 C 
               
               
                 ATOM 
                 536 
                 O 
                 SER 
                 A 
                 1715 
                 6.801 
                 16.577 
                 30.362 
                 1.00 
                 24.11 
                 O 
               
               
                 ATOM 
                 537 
                 CB 
                 SER 
                 A 
                 1715 
                 4.466 
                 17.038 
                 28.299 
                 1.00 
                 25.03 
                 C 
               
               
                 ATOM 
                 538 
                 OG 
                 SER 
                 A 
                 1715 
                 3.778 
                 15.852 
                 28.639 
                 1.00 
                 23.98 
                 O 
               
               
                 ATOM 
                 539 
                 N 
                 TYR 
                 A 
                 1716 
                 4.797 
                 16.126 
                 31.288 
                 1.00 
                 25.42 
                 N 
               
               
                 ATOM 
                 540 
                 CA 
                 TYR 
                 A 
                 1716 
                 5.231 
                 15.017 
                 32.125 
                 1.00 
                 26.37 
                 C 
               
               
                 ATOM 
                 541 
                 C 
                 TYR 
                 A 
                 1716 
                 5.869 
                 13.931 
                 31.247 
                 1.00 
                 27.10 
                 C 
               
               
                 ATOM 
                 542 
                 O 
                 TYR 
                 A 
                 1716 
                 6.785 
                 13.212 
                 31.683 
                 1.00 
                 26.35 
                 O 
               
               
                 ATOM 
                 543 
                 CB 
                 TYR 
                 A 
                 1716 
                 4.010 
                 14.514 
                 32.907 
                 1.00 
                 26.21 
                 C 
               
               
                 ATOM 
                 544 
                 CG 
                 TYR 
                 A 
                 1716 
                 4.195 
                 13.230 
                 33.680 
                 1.00 
                 29.12 
                 C 
               
               
                 ATOM 
                 545 
                 CD1 
                 TYR 
                 A 
                 1716 
                 3.331 
                 12.154 
                 33.481 
                 1.00 
                 32.06 
                 C 
               
               
                 ATOM 
                 546 
                 CD2 
                 TYR 
                 A 
                 1716 
                 5.231 
                 13.074 
                 34.608 
                 1.00 
                 28.52 
                 C 
               
               
                 ATOM 
                 547 
                 CE1 
                 TYR 
                 A 
                 1716 
                 3.486 
                 10.956 
                 34.178 
                 1.00 
                 34.47 
                 C 
               
               
                 ATOM 
                 548 
                 CE2 
                 TYR 
                 A 
                 1716 
                 5.389 
                 11.881 
                 35.311 
                 1.00 
                 31.81 
                 C 
               
               
                 ATOM 
                 549 
                 CZ 
                 TYR 
                 A 
                 1716 
                 4.514 
                 10.828 
                 35.094 
                 1.00 
                 34.25 
                 C 
               
               
                 ATOM 
                 550 
                 OH 
                 TYR 
                 A 
                 1716 
                 4.649 
                 9.641 
                 35.787 
                 1.00 
                 37.87 
                 O 
               
               
                 ATOM 
                 551 
                 N 
                 PHE 
                 A 
                 1717 
                 5.424 
                 13.826 
                 29.995 
                 1.00 
                 27.52 
                 N 
               
               
                 ATOM 
                 552 
                 CA 
                 PHE 
                 A 
                 1717 
                 6.034 
                 12.870 
                 29.075 
                 1.00 
                 28.82 
                 C 
               
               
                 ATOM 
                 553 
                 C 
                 PHE 
                 A 
                 1717 
                 7.538 
                 13.059 
                 28.921 
                 1.00 
                 28.84 
                 C 
               
               
                 ATOM 
                 554 
                 O 
                 PHE 
                 A 
                 1717 
                 8.240 
                 12.126 
                 28.548 
                 1.00 
                 29.28 
                 O 
               
               
                 ATOM 
                 555 
                 CB 
                 PHE 
                 A 
                 1717 
                 5.386 
                 12.923 
                 27.680 
                 1.00 
                 29.41 
                 C 
               
               
                 ATOM 
                 556 
                 CG 
                 PHE 
                 A 
                 1717 
                 4.021 
                 12.301 
                 27.626 
                 1.00 
                 30.82 
                 C 
               
               
                 ATOM 
                 557 
                 CD1 
                 PHE 
                 A 
                 1717 
                 2.906 
                 13.073 
                 27.348 
                 1.00 
                 32.52 
                 C 
               
               
                 ATOM 
                 558 
                 CD2 
                 PHE 
                 A 
                 1717 
                 3.857 
                 10.941 
                 27.856 
                 1.00 
                 33.31 
                 C 
               
               
                 ATOM 
                 559 
                 CE1 
                 PHE 
                 A 
                 1717 
                 1.641 
                 12.504 
                 27.304 
                 1.00 
                 34.86 
                 C 
               
               
                 ATOM 
                 560 
                 CE2 
                 PHE 
                 A 
                 1717 
                 2.597 
                 10.365 
                 27.815 
                 1.00 
                 34.29 
                 C 
               
               
                 ATOM 
                 561 
                 CZ 
                 PHE 
                 A 
                 1717 
                 1.489 
                 11.147 
                 27.532 
                 1.00 
                 35.25 
                 C 
               
               
                 ATOM 
                 562 
                 N 
                 TRP 
                 A 
                 1718 
                 8.042 
                 14.255 
                 29.197 
                 1.00 
                 28.34 
                 N 
               
               
                 ATOM 
                 563 
                 CA 
                 TRP 
                 A 
                 1718 
                 9.479 
                 14.474 
                 29.109 
                 1.00 
                 28.68 
                 C 
               
               
                 ATOM 
                 564 
                 C 
                 TRP 
                 A 
                 1718 
                 10.155 
                 13.533 
                 30.080 
                 1.00 
                 29.50 
                 C 
               
               
                 ATOM 
                 565 
                 O 
                 TRP 
                 A 
                 1718 
                 11.155 
                 12.875 
                 29.758 
                 1.00 
                 29.11 
                 O 
               
               
                 ATOM 
                 566 
                 CB 
                 TRP 
                 A 
                 1718 
                 9.822 
                 15.914 
                 29.482 
                 1.00 
                 28.52 
                 C 
               
               
                 ATOM 
                 567 
                 CG 
                 TRP 
                 A 
                 1718 
                 11.271 
                 16.215 
                 29.683 
                 1.00 
                 27.62 
                 C 
               
               
                 ATOM 
                 568 
                 CD1 
                 TRP 
                 A 
                 1718 
                 12.290 
                 16.042 
                 28.785 
                 1.00 
                 30.51 
                 C 
               
               
                 ATOM 
                 569 
                 CD2 
                 TRP 
                 A 
                 1718 
                 11.861 
                 16.838 
                 30.832 
                 1.00 
                 27.46 
                 C 
               
               
                 ATOM 
                 570 
                 NE1 
                 TRP 
                 A 
                 1718 
                 13.476 
                 16.480 
                 29.326 
                 1.00 
                 30.53 
                 N 
               
               
                 ATOM 
                 571 
                 CE2 
                 TRP 
                 A 
                 1718 
                 13.235 
                 16.979 
                 30.580 
                 1.00 
                 29.14 
                 C 
               
               
                 ATOM 
                 572 
                 CE3 
                 TRP 
                 A 
                 1718 
                 11.364 
                 17.277 
                 32.064 
                 1.00 
                 28.24 
                 C 
               
               
                 ATOM 
                 573 
                 CZ2 
                 TRP 
                 A 
                 1718 
                 14.113 
                 17.539 
                 31.509 
                 1.00 
                 29.76 
                 C 
               
               
                 ATOM 
                 574 
                 CZ3 
                 TRP 
                 A 
                 1718 
                 12.240 
                 17.826 
                 32.984 
                 1.00 
                 30.82 
                 C 
               
               
                 ATOM 
                 575 
                 CH2 
                 TRP 
                 A 
                 1718 
                 13.598 
                 17.948 
                 32.702 
                 1.00 
                 29.58 
                 C 
               
               
                 ATOM 
                 576 
                 N 
                 VAL 
                 A 
                 1719 
                 9.606 
                 13.483 
                 31.282 
                 1.00 
                 30.02 
                 N 
               
               
                 ATOM 
                 577 
                 CA 
                 VAL 
                 A 
                 1719 
                 10.142 
                 12.624 
                 32.316 
                 1.00 
                 31.76 
                 C 
               
               
                 ATOM 
                 578 
                 C 
                 VAL 
                 A 
                 1719 
                 9.977 
                 11.161 
                 31.922 
                 1.00 
                 33.27 
                 C 
               
               
                 ATOM 
                 579 
                 O 
                 VAL 
                 A 
                 1719 
                 10.969 
                 10.427 
                 31.827 
                 1.00 
                 33.42 
                 O 
               
               
                 ATOM 
                 580 
                 CB 
                 VAL 
                 A 
                 1719 
                 9.475 
                 12.912 
                 33.671 
                 1.00 
                 31.63 
                 C 
               
               
                 ATOM 
                 581 
                 CG1 
                 VAL 
                 A 
                 1719 
                 9.819 
                 11.838 
                 34.710 
                 1.00 
                 31.96 
                 C 
               
               
                 ATOM 
                 582 
                 CG2 
                 VAL 
                 A 
                 1719 
                 9.889 
                 14.294 
                 34.167 
                 1.00 
                 31.20 
                 C 
               
               
                 ATOM 
                 583 
                 N 
                 THR 
                 A 
                 1720 
                 8.740 
                 10.743 
                 31.651 
                 1.00 
                 34.96 
                 N 
               
               
                 ATOM 
                 584 
                 CA 
                 THR 
                 A 
                 1720 
                 8.554 
                 9.313 
                 31.340 
                 1.00 
                 36.85 
                 C 
               
               
                 ATOM 
                 585 
                 C 
                 THR 
                 A 
                 1720 
                 9.339 
                 8.816 
                 30.131 
                 1.00 
                 38.01 
                 C 
               
               
                 ATOM 
                 586 
                 O 
                 THR 
                 A 
                 1720 
                 9.913 
                 7.730 
                 30.159 
                 1.00 
                 38.60 
                 O 
               
               
                 ATOM 
                 587 
                 CB 
                 THR 
                 A 
                 1720 
                 7.081 
                 8.877 
                 31.234 
                 1.00 
                 36.66 
                 C 
               
               
                 ATOM 
                 588 
                 OG1 
                 THR 
                 A 
                 1720 
                 6.390 
                 9.689 
                 30.279 
                 1.00 
                 36.44 
                 O 
               
               
                 ATOM 
                 589 
                 CG2 
                 THR 
                 A 
                 1720 
                 6.357 
                 9.118 
                 32.547 
                 1.00 
                 36.41 
                 C 
               
               
                 ATOM 
                 590 
                 N 
                 GLN 
                 A 
                 1721 
                 9.365 
                 9.602 
                 29.070 
                 1.00 
                 39.54 
                 N 
               
               
                 ATOM 
                 591 
                 CA 
                 GLN 
                 A 
                 1721 
                 10.134 
                 9.225 
                 27.900 
                 1.00 
                 41.24 
                 C 
               
               
                 ATOM 
                 592 
                 C 
                 GLN 
                 A 
                 1721 
                 11.631 
                 9.197 
                 28.194 
                 1.00 
                 42.30 
                 C 
               
               
                 ATOM 
                 593 
                 O 
                 GLN 
                 A 
                 1721 
                 12.342 
                 8.332 
                 27.682 
                 1.00 
                 42.28 
                 O 
               
               
                 ATOM 
                 594 
                 CB 
                 GLN 
                 A 
                 1721 
                 9.833 
                 10.158 
                 26.732 
                 1.00 
                 41.41 
                 C 
               
               
                 ATOM 
                 595 
                 CG 
                 GLN 
                 A 
                 1721 
                 10.241 
                 9.612 
                 25.375 
                 1.00 
                 43.88 
                 C 
               
               
                 ATOM 
                 596 
                 CD 
                 GLN 
                 A 
                 1721 
                 9.451 
                 8.376 
                 24.973 
                 1.00 
                 46.02 
                 C 
               
               
                 ATOM 
                 597 
                 OE1 
                 GLN 
                 A 
                 1721 
                 9.825 
                 7.679 
                 24.029 
                 1.00 
                 48.31 
                 O 
               
               
                 ATOM 
                 598 
                 NE2 
                 GLN 
                 A 
                 1721 
                 8.357 
                 8.107 
                 25.678 
                 1.00 
                 47.45 
                 N 
               
               
                 ATOM 
                 599 
                 N 
                 SER 
                 A 
                 1722 
                 12.114 
                 10.130 
                 29.014 
                 1.00 
                 43.35 
                 N 
               
               
                 ATOM 
                 600 
                 CA 
                 SER 
                 A 
                 1722 
                 13.541 
                 10.171 
                 29.361 
                 1.00 
                 44.70 
                 C 
               
               
                 ATOM 
                 601 
                 C 
                 SER 
                 A 
                 1722 
                 13.932 
                 8.901 
                 30.108 
                 1.00 
                 46.65 
                 C 
               
               
                 ATOM 
                 602 
                 O 
                 SER 
                 A 
                 1722 
                 14.954 
                 8.276 
                 29.812 
                 1.00 
                 46.89 
                 O 
               
               
                 ATOM 
                 603 
                 CB 
                 SER 
                 A 
                 1722 
                 13.884 
                 11.395 
                 30.219 
                 1.00 
                 44.38 
                 C 
               
               
                 ATOM 
                 604 
                 OG 
                 SER 
                 A 
                 1722 
                 13.805 
                 12.597 
                 29.478 
                 1.00 
                 42.77 
                 O 
               
               
                 ATOM 
                 605 
                 N 
                 ILE 
                 A 
                 1723 
                 13.121 
                 8.535 
                 31.092 
                 1.00 
                 48.82 
                 N 
               
               
                 ATOM 
                 606 
                 CA 
                 ILE 
                 A 
                 1723 
                 13.350 
                 7.313 
                 31.838 
                 1.00 
                 50.90 
                 C 
               
               
                 ATOM 
                 607 
                 C 
                 ILE 
                 A 
                 1723 
                 13.396 
                 6.162 
                 30.852 
                 1.00 
                 52.25 
                 C 
               
               
                 ATOM 
                 608 
                 O 
                 ILE 
                 A 
                 1723 
                 14.337 
                 5.363 
                 30.844 
                 1.00 
                 52.74 
                 O 
               
               
                 ATOM 
                 609 
                 CB 
                 ILE 
                 A 
                 1723 
                 12.201 
                 7.068 
                 32.830 
                 1.00 
                 50.77 
                 C 
               
               
                 ATOM 
                 610 
                 CG1 
                 ILE 
                 A 
                 1723 
                 12.174 
                 8.140 
                 33.915 
                 1.00 
                 50.32 
                 C 
               
               
                 ATOM 
                 611 
                 CG2 
                 ILE 
                 A 
                 1723 
                 12.337 
                 5.687 
                 33.463 
                 1.00 
                 51.86 
                 C 
               
               
                 ATOM 
                 612 
                 CD1 
                 ILE 
                 A 
                 1723 
                 10.961 
                 8.062 
                 34.792 
                 1.00 
                 50.04 
                 C 
               
               
                 ATOM 
                 613 
                 N 
                 LYS 
                 A 
                 1724 
                 12.374 
                 6.086 
                 30.007 
                 1.00 
                 53.69 
                 N 
               
               
                 ATOM 
                 614 
                 CA 
                 LYS 
                 A 
                 1724 
                 12.253 
                 4.996 
                 29.045 
                 1.00 
                 54.98 
                 C 
               
               
                 ATOM 
                 615 
                 C 
                 LYS 
                 A 
                 1724 
                 13.473 
                 4.834 
                 28.133 
                 1.00 
                 55.52 
                 C 
               
               
                 ATOM 
                 616 
                 O 
                 LYS 
                 A 
                 1724 
                 13.712 
                 3.750 
                 27.595 
                 1.00 
                 55.87 
                 O 
               
               
                 ATOM 
                 617 
                 CB 
                 LYS 
                 A 
                 1724 
                 10.976 
                 5.163 
                 28.215 
                 1.00 
                 55.06 
                 C 
               
               
                 ATOM 
                 618 
                 CG 
                 LYS 
                 A 
                 1724 
                 10.795 
                 4.128 
                 27.117 
                 1.00 
                 56.82 
                 C 
               
               
                 ATOM 
                 619 
                 CD 
                 LYS 
                 A 
                 1724 
                 9.456 
                 4.307 
                 26.404 
                 1.00 
                 59.11 
                 C 
               
               
                 ATOM 
                 620 
                 CE 
                 LYS 
                 A 
                 1724 
                 9.501 
                 3.770 
                 24.978 
                 1.00 
                 61.01 
                 C 
               
               
                 ATOM 
                 621 
                 NZ 
                 LYS 
                 A 
                 1724 
                 10.015 
                 2.372 
                 24.900 
                 1.00 
                 62.45 
                 N 
               
               
                 ATOM 
                 622 
                 N 
                 GLU 
                 A 
                 1725 
                 14.244 
                 5.904 
                 27.967 
                 1.00 
                 55.67 
                 N 
               
               
                 ATOM 
                 623 
                 CA 
                 GLU 
                 A 
                 1725 
                 15.422 
                 5.862 
                 27.114 
                 1.00 
                 55.94 
                 C 
               
               
                 ATOM 
                 624 
                 C 
                 GLU 
                 A 
                 1725 
                 16.690 
                 6.032 
                 27.942 
                 1.00 
                 56.09 
                 C 
               
               
                 ATOM 
                 625 
                 O 
                 GLU 
                 A 
                 1725 
                 17.792 
                 6.166 
                 27.403 
                 1.00 
                 56.28 
                 O 
               
               
                 ATOM 
                 626 
                 CB 
                 GLU 
                 A 
                 1725 
                 15.335 
                 6.944 
                 26.039 
                 1.00 
                 56.03 
                 C 
               
               
                 ATOM 
                 627 
                 CG 
                 GLU 
                 A 
                 1725 
                 14.001 
                 6.970 
                 25.312 
                 1.00 
                 56.26 
                 C 
               
               
                 ATOM 
                 628 
                 CD 
                 GLU 
                 A 
                 1725 
                 14.052 
                 7.765 
                 24.023 
                 1.00 
                 56.75 
                 C 
               
               
                 ATOM 
                 629 
                 OE1 
                 GLU 
                 A 
                 1725 
                 15.170 
                 8.047 
                 23.543 
                 1.00 
                 57.44 
                 O 
               
               
                 ATOM 
                 630 
                 OE2 
                 GLU 
                 A 
                 1725 
                 12.975 
                 8.104 
                 23.481 
                 1.00 
                 57.51 
                 O 
               
               
                 ATOM 
                 631 
                 N 
                 ARG 
                 A 
                 1726 
                 16.517 
                 6.036 
                 29.260 
                 1.00 
                 56.32 
                 N 
               
               
                 ATOM 
                 632 
                 CA 
                 ARG 
                 A 
                 1726 
                 17.627 
                 6.170 
                 30.200 
                 1.00 
                 56.34 
                 C 
               
               
                 ATOM 
                 633 
                 C 
                 ARG 
                 A 
                 1726 
                 18.580 
                 7.296 
                 29.833 
                 1.00 
                 56.66 
                 C 
               
               
                 ATOM 
                 634 
                 O 
                 ARG 
                 A 
                 1726 
                 19.701 
                 7.366 
                 30.341 
                 1.00 
                 56.80 
                 O 
               
               
                 ATOM 
                 635 
                 CB 
                 ARG 
                 A 
                 1726 
                 18.398 
                 4.856 
                 30.303 
                 1.00 
                 56.21 
                 C 
               
               
                 ATOM 
                 636 
                 CG 
                 ARG 
                 A 
                 1726 
                 17.587 
                 3.692 
                 30.854 
                 1.00 
                 54.58 
                 C 
               
               
                 ATOM 
                 637 
                 CD 
                 ARG 
                 A 
                 1726 
                 18.448 
                 2.440 
                 31.127 
                 1.00 
                 52.29 
                 C 
               
               
                 ATOM 
                 638 
                 NE 
                 ARG 
                 A 
                 1726 
                 17.674 
                 1.297 
                 31.602 
                 1.00 
                 50.00 
                 N 
               
               
                 ATOM 
                 639 
                 CZ 
                 ARG 
                 A 
                 1726 
                 18.204 
                 0.119 
                 31.936 
                 1.00 
                 49.40 
                 C 
               
               
                 ATOM 
                 640 
                 NH1 
                 ARG 
                 A 
                 1726 
                 19.518 
                 −0.091 
                 31.853 
                 1.00 
                 49.31 
                 N 
               
               
                 ATOM 
                 641 
                 NH2 
                 ARG 
                 A 
                 1726 
                 17.418 
                 −0.863 
                 32.356 
                 1.00 
                 48.60 
                 N 
               
               
                 ATOM 
                 642 
                 N 
                 LYS 
                 A 
                 1727 
                 18.126 
                 8.160 
                 28.931 
                 1.00 
                 56.83 
                 N 
               
               
                 ATOM 
                 643 
                 CA 
                 LYS 
                 A 
                 1727 
                 18.871 
                 9.338 
                 28.523 
                 1.00 
                 56.73 
                 C 
               
               
                 ATOM 
                 644 
                 C 
                 LYS 
                 A 
                 1727 
                 18.240 
                 10.517 
                 29.239 
                 1.00 
                 56.20 
                 C 
               
               
                 ATOM 
                 645 
                 O 
                 LYS 
                 A 
                 1727 
                 17.349 
                 10.347 
                 30.065 
                 1.00 
                 56.46 
                 O 
               
               
                 ATOM 
                 646 
                 CB 
                 LYS 
                 A 
                 1727 
                 18.713 
                 9.573 
                 27.019 
                 1.00 
                 56.89 
                 C 
               
               
                 ATOM 
                 647 
                 CG 
                 LYS 
                 A 
                 1727 
                 19.526 
                 8.674 
                 26.096 
                 1.00 
                 58.87 
                 C 
               
               
                 ATOM 
                 648 
                 CD 
                 LYS 
                 A 
                 1727 
                 19.027 
                 8.815 
                 24.652 
                 1.00 
                 60.89 
                 C 
               
               
                 ATOM 
                 649 
                 CE 
                 LYS 
                 A 
                 1727 
                 20.012 
                 8.266 
                 23.630 
                 1.00 
                 62.65 
                 C 
               
               
                 ATOM 
                 650 
                 NZ 
                 LYS 
                 A 
                 1727 
                 19.537 
                 8.509 
                 22.231 
                 1.00 
                 63.70 
                 N 
               
               
                 ATOM 
                 651 
                 N 
                 MET 
                 A 
                 1728 
                 18.699 
                 11.714 
                 28.903 
                 1.00 
                 55.31 
                 N 
               
               
                 ATOM 
                 652 
                 CA 
                 MET 
                 A 
                 1728 
                 18.110 
                 12.945 
                 29.403 
                 1.00 
                 54.28 
                 C 
               
               
                 ATOM 
                 653 
                 C 
                 MET 
                 A 
                 1728 
                 17.630 
                 13.702 
                 28.185 
                 1.00 
                 52.90 
                 C 
               
               
                 ATOM 
                 654 
                 O 
                 MET 
                 A 
                 1728 
                 18.396 
                 14.434 
                 27.558 
                 1.00 
                 52.58 
                 O 
               
               
                 ATOM 
                 655 
                 CB 
                 MET 
                 A 
                 1728 
                 19.134 
                 13.791 
                 30.157 
                 1.00 
                 55.12 
                 C 
               
               
                 ATOM 
                 656 
                 CG 
                 MET 
                 A 
                 1728 
                 19.061 
                 13.657 
                 31.668 
                 1.00 
                 57.13 
                 C 
               
               
                 ATOM 
                 657 
                 SD 
                 MET 
                 A 
                 1728 
                 17.969 
                 14.835 
                 32.428 
                 1.00 
                 62.34 
                 S 
               
               
                 ATOM 
                 658 
                 CE 
                 MET 
                 A 
                 1728 
                 18.990 
                 16.316 
                 32.456 
                 1.00 
                 61.18 
                 C 
               
               
                 ATOM 
                 659 
                 N 
                 LEU 
                 A 
                 1729 
                 16.359 
                 13.526 
                 27.845 
                 1.00 
                 51.17 
                 N 
               
               
                 ATOM 
                 660 
                 CA 
                 LEU 
                 A 
                 1729 
                 15.822 
                 14.156 
                 26.651 
                 1.00 
                 49.34 
                 C 
               
               
                 ATOM 
                 661 
                 C 
                 LEU 
                 A 
                 1729 
                 15.739 
                 15.670 
                 26.766 
                 1.00 
                 48.47 
                 C 
               
               
                 ATOM 
                 662 
                 O 
                 LEU 
                 A 
                 1729 
                 15.840 
                 16.236 
                 27.860 
                 1.00 
                 47.88 
                 O 
               
               
                 ATOM 
                 663 
                 CB 
                 LEU 
                 A 
                 1729 
                 14.470 
                 13.549 
                 26.287 
                 1.00 
                 49.47 
                 C 
               
               
                 ATOM 
                 664 
                 CG 
                 LEU 
                 A 
                 1729 
                 14.538 
                 12.037 
                 26.083 
                 1.00 
                 49.29 
                 C 
               
               
                 ATOM 
                 665 
                 CD1 
                 LEU 
                 A 
                 1729 
                 13.160 
                 11.493 
                 25.790 
                 1.00 
                 49.48 
                 C 
               
               
                 ATOM 
                 666 
                 CD2 
                 LEU 
                 A 
                 1729 
                 15.506 
                 11.682 
                 24.956 
                 1.00 
                 49.60 
                 C 
               
               
                 ATOM 
                 667 
                 N 
                 ASN 
                 A 
                 1730 
                 15.564 
                 16.317 
                 25.622 
                 1.00 
                 47.11 
                 N 
               
               
                 ATOM 
                 668 
                 CA 
                 ASN 
                 A 
                 1730 
                 15.512 
                 17.767 
                 25.549 
                 1.00 
                 46.60 
                 C 
               
               
                 ATOM 
                 669 
                 C 
                 ASN 
                 A 
                 1730 
                 14.112 
                 18.362 
                 25.753 
                 1.00 
                 45.55 
                 C 
               
               
                 ATOM 
                 670 
                 O 
                 ASN 
                 A 
                 1730 
                 13.161 
                 17.971 
                 25.080 
                 1.00 
                 44.35 
                 O 
               
               
                 ATOM 
                 671 
                 CB 
                 ASN 
                 A 
                 1730 
                 16.090 
                 18.222 
                 24.213 
                 1.00 
                 46.97 
                 C 
               
               
                 ATOM 
                 672 
                 CG 
                 ASN 
                 A 
                 1730 
                 15.670 
                 19.618 
                 23.848 
                 1.00 
                 48.88 
                 C 
               
               
                 ATOM 
                 673 
                 OD1 
                 ASN 
                 A 
                 1730 
                 15.273 
                 19.882 
                 22.714 
                 1.00 
                 52.48 
                 O 
               
               
                 ATOM 
                 674 
                 ND2 
                 ASN 
                 A 
                 1730 
                 15.754 
                 20.528 
                 24.805 
                 1.00 
                 50.39 
                 N 
               
               
                 ATOM 
                 675 
                 N 
                 GLU 
                 A 
                 1731 
                 14.013 
                 19.328 
                 26.670 
                 1.00 
                 44.51 
                 N 
               
               
                 ATOM 
                 676 
                 CA 
                 GLU 
                 A 
                 1731 
                 12.757 
                 20.025 
                 26.965 
                 1.00 
                 43.45 
                 C 
               
               
                 ATOM 
                 677 
                 C 
                 GLU 
                 A 
                 1731 
                 11.958 
                 20.402 
                 25.744 
                 1.00 
                 43.01 
                 C 
               
               
                 ATOM 
                 678 
                 O 
                 GLU 
                 A 
                 1731 
                 10.771 
                 20.100 
                 25.660 
                 1.00 
                 43.43 
                 O 
               
               
                 ATOM 
                 679 
                 CB 
                 GLU 
                 A 
                 1731 
                 13.020 
                 21.326 
                 27.740 
                 1.00 
                 43.41 
                 C 
               
               
                 ATOM 
                 680 
                 CG 
                 GLU 
                 A 
                 1731 
                 13.592 
                 21.127 
                 29.119 
                 1.00 
                 41.76 
                 C 
               
               
                 ATOM 
                 681 
                 CD 
                 GLU 
                 A 
                 1731 
                 15.106 
                 21.125 
                 29.126 
                 1.00 
                 40.50 
                 C 
               
               
                 ATOM 
                 682 
                 OE1 
                 GLU 
                 A 
                 1731 
                 15.705 
                 21.028 
                 28.039 
                 1.00 
                 41.97 
                 O 
               
               
                 ATOM 
                 683 
                 OE2 
                 GLU 
                 A 
                 1731 
                 15.689 
                 21.213 
                 30.216 
                 1.00 
                 37.52 
                 O 
               
               
                 ATOM 
                 684 
                 N 
                 HIS 
                 A 
                 1732 
                 12.606 
                 21.128 
                 24.838 
                 1.00 
                 42.34 
                 N 
               
               
                 ATOM 
                 685 
                 CA 
                 HIS 
                 A 
                 1732 
                 12.002 
                 21.610 
                 23.605 
                 1.00 
                 41.79 
                 C 
               
               
                 ATOM 
                 686 
                 C 
                 HIS 
                 A 
                 1732 
                 11.046 
                 20.608 
                 23.027 
                 1.00 
                 40.24 
                 C 
               
               
                 ATOM 
                 687 
                 O 
                 HIS 
                 A 
                 1732 
                 9.946 
                 20.944 
                 22.603 
                 1.00 
                 40.42 
                 O 
               
               
                 ATOM 
                 688 
                 CB 
                 HIS 
                 A 
                 1732 
                 13.087 
                 21.831 
                 22.548 
                 1.00 
                 42.72 
                 C 
               
               
                 ATOM 
                 689 
                 CG 
                 HIS 
                 A 
                 1732 
                 13.424 
                 23.268 
                 22.296 
                 1.00 
                 44.10 
                 C 
               
               
                 ATOM 
                 690 
                 ND1 
                 HIS 
                 A 
                 1732 
                 14.661 
                 23.800 
                 22.590 
                 1.00 
                 45.91 
                 N 
               
               
                 ATOM 
                 691 
                 CD2 
                 HIS 
                 A 
                 1732 
                 12.706 
                 24.269 
                 21.731 
                 1.00 
                 45.21 
                 C 
               
               
                 ATOM 
                 692 
                 CE1 
                 HIS 
                 A 
                 1732 
                 14.685 
                 25.073 
                 22.241 
                 1.00 
                 46.35 
                 C 
               
               
                 ATOM 
                 693 
                 NE2 
                 HIS 
                 A 
                 1732 
                 13.508 
                 25.385 
                 21.723 
                 1.00 
                 46.39 
                 N 
               
               
                 ATOM 
                 694 
                 N 
                 ASP 
                 A 
                 1733 
                 11.492 
                 19.362 
                 22.999 
                 1.00 
                 38.11 
                 N 
               
               
                 ATOM 
                 695 
                 CA 
                 ASP 
                 A 
                 1733 
                 10.734 
                 18.305 
                 22.372 
                 1.00 
                 36.40 
                 C 
               
               
                 ATOM 
                 696 
                 C 
                 ASP 
                 A 
                 1733 
                 9.461 
                 17.952 
                 23.116 
                 1.00 
                 34.24 
                 C 
               
               
                 ATOM 
                 697 
                 O 
                 ASP 
                 A 
                 1733 
                 8.641 
                 17.184 
                 22.612 
                 1.00 
                 34.21 
                 O 
               
               
                 ATOM 
                 698 
                 CB 
                 ASP 
                 A 
                 1733 
                 11.636 
                 17.089 
                 22.171 
                 1.00 
                 37.03 
                 C 
               
               
                 ATOM 
                 699 
                 CG 
                 ASP 
                 A 
                 1733 
                 12.855 
                 17.424 
                 21.327 
                 1.00 
                 40.13 
                 C 
               
               
                 ATOM 
                 700 
                 OD1 
                 ASP 
                 A 
                 1733 
                 12.708 
                 18.222 
                 20.371 
                 1.00 
                 42.92 
                 O 
               
               
                 ATOM 
                 701 
                 OD2 
                 ASP 
                 A 
                 1733 
                 13.991 
                 16.965 
                 21.541 
                 1.00 
                 42.00 
                 O 
               
               
                 ATOM 
                 702 
                 N 
                 PHE 
                 A 
                 1734 
                 9.274 
                 18.544 
                 24.294 
                 1.00 
                 31.43 
                 N 
               
               
                 ATOM 
                 703 
                 CA 
                 PHE 
                 A 
                 1734 
                 8.103 
                 18.239 
                 25.088 
                 1.00 
                 29.37 
                 C 
               
               
                 ATOM 
                 704 
                 C 
                 PHE 
                 A 
                 1734 
                 7.389 
                 19.471 
                 25.613 
                 1.00 
                 27.75 
                 C 
               
               
                 ATOM 
                 705 
                 O 
                 PHE 
                 A 
                 1734 
                 6.595 
                 19.357 
                 26.524 
                 1.00 
                 27.33 
                 O 
               
               
                 ATOM 
                 706 
                 CB 
                 PHE 
                 A 
                 1734 
                 8.490 
                 17.353 
                 26.276 
                 1.00 
                 28.85 
                 C 
               
               
                 ATOM 
                 707 
                 CG 
                 PHE 
                 A 
                 1734 
                 9.074 
                 16.045 
                 25.875 
                 1.00 
                 29.54 
                 C 
               
               
                 ATOM 
                 708 
                 CD1 
                 PHE 
                 A 
                 1734 
                 10.430 
                 15.924 
                 25.619 
                 1.00 
                 28.38 
                 C 
               
               
                 ATOM 
                 709 
                 CD2 
                 PHE 
                 A 
                 1734 
                 8.258 
                 14.921 
                 25.748 
                 1.00 
                 29.90 
                 C 
               
               
                 ATOM 
                 710 
                 CE1 
                 PHE 
                 A 
                 1734 
                 10.971 
                 14.697 
                 25.245 
                 1.00 
                 32.16 
                 C 
               
               
                 ATOM 
                 711 
                 CE2 
                 PHE 
                 A 
                 1734 
                 8.784 
                 13.709 
                 25.387 
                 1.00 
                 28.92 
                 C 
               
               
                 ATOM 
                 712 
                 CZ 
                 PHE 
                 A 
                 1734 
                 10.135 
                 13.584 
                 25.137 
                 1.00 
                 29.87 
                 C 
               
               
                 ATOM 
                 713 
                 N 
                 GLU 
                 A 
                 1735 
                 7.679 
                 20.638 
                 25.049 
                 1.00 
                 26.09 
                 N 
               
               
                 ATOM 
                 714 
                 CA 
                 GLU 
                 A 
                 1735 
                 7.053 
                 21.874 
                 25.523 
                 1.00 
                 25.44 
                 C 
               
               
                 ATOM 
                 715 
                 C 
                 GLU 
                 A 
                 1735 
                 5.543 
                 21.806 
                 25.439 
                 1.00 
                 25.07 
                 C 
               
               
                 ATOM 
                 716 
                 O 
                 GLU 
                 A 
                 1735 
                 4.985 
                 21.250 
                 24.464 
                 1.00 
                 24.68 
                 O 
               
               
                 ATOM 
                 717 
                 CB 
                 GLU 
                 A 
                 1735 
                 7.563 
                 23.075 
                 24.717 
                 1.00 
                 25.36 
                 C 
               
               
                 ATOM 
                 718 
                 CG 
                 GLU 
                 A 
                 1735 
                 7.210 
                 24.412 
                 25.355 
                 1.00 
                 25.42 
                 C 
               
               
                 ATOM 
                 719 
                 CD 
                 GLU 
                 A 
                 1735 
                 7.957 
                 25.570 
                 24.722 
                 1.00 
                 23.84 
                 C 
               
               
                 ATOM 
                 720 
                 OE1 
                 GLU 
                 A 
                 1735 
                 8.502 
                 25.402 
                 23.597 
                 1.00 
                 23.61 
                 O 
               
               
                 ATOM 
                 721 
                 OE2 
                 GLU 
                 A 
                 1735 
                 8.007 
                 26.647 
                 25.349 
                 1.00 
                 23.68 
                 O 
               
               
                 ATOM 
                 722 
                 N 
                 VAL 
                 A 
                 1736 
                 4.845 
                 22.329 
                 26.444 
                 1.00 
                 25.06 
                 N 
               
               
                 ATOM 
                 723 
                 CA 
                 VAL 
                 A 
                 1736 
                 3.399 
                 22.309 
                 26.312 
                 1.00 
                 24.90 
                 C 
               
               
                 ATOM 
                 724 
                 C 
                 VAL 
                 A 
                 1736 
                 2.978 
                 23.295 
                 25.233 
                 1.00 
                 24.36 
                 C 
               
               
                 ATOM 
                 725 
                 O 
                 VAL 
                 A 
                 1736 
                 3.554 
                 24.371 
                 25.120 
                 1.00 
                 23.06 
                 O 
               
               
                 ATOM 
                 726 
                 CB 
                 VAL 
                 A 
                 1736 
                 2.554 
                 22.340 
                 27.627 
                 1.00 
                 26.50 
                 C 
               
               
                 ATOM 
                 727 
                 CG1 
                 VAL 
                 A 
                 1736 
                 3.344 
                 22.090 
                 28.906 
                 1.00 
                 25.92 
                 C 
               
               
                 ATOM 
                 728 
                 CG2 
                 VAL 
                 A 
                 1736 
                 1.468 
                 23.443 
                 27.666 
                 1.00 
                 25.83 
                 C 
               
               
                 ATOM 
                 729 
                 N 
                 ARG 
                 A 
                 1737 
                 2.039 
                 22.850 
                 24.398 
                 1.00 
                 24.08 
                 N 
               
               
                 ATOM 
                 730 
                 CA 
                 ARG 
                 A 
                 1737 
                 1.570 
                 23.598 
                 23.229 
                 1.00 
                 24.71 
                 C 
               
               
                 ATOM 
                 731 
                 C 
                 ARG 
                 A 
                 1737 
                 0.314 
                 24.437 
                 23.486 
                 1.00 
                 24.77 
                 C 
               
               
                 ATOM 
                 732 
                 O 
                 ARG 
                 A 
                 1737 
                 0.066 
                 25.445 
                 22.801 
                 1.00 
                 24.60 
                 O 
               
               
                 ATOM 
                 733 
                 CB 
                 ARG 
                 A 
                 1737 
                 1.289 
                 22.617 
                 22.072 
                 1.00 
                 24.14 
                 C 
               
               
                 ATOM 
                 734 
                 CG 
                 ARG 
                 A 
                 1737 
                 2.478 
                 21.779 
                 21.678 
                 1.00 
                 28.10 
                 C 
               
               
                 ATOM 
                 735 
                 CD 
                 ARG 
                 A 
                 1737 
                 2.253 
                 20.906 
                 20.461 
                 1.00 
                 33.08 
                 C 
               
               
                 ATOM 
                 736 
                 NE 
                 ARG 
                 A 
                 1737 
                 3.461 
                 20.144 
                 20.184 
                 1.00 
                 39.98 
                 N 
               
               
                 ATOM 
                 737 
                 CZ 
                 ARG 
                 A 
                 1737 
                 3.484 
                 18.959 
                 19.584 
                 1.00 
                 42.06 
                 C 
               
               
                 ATOM 
                 738 
                 NH1 
                 ARG 
                 A 
                 1737 
                 2.359 
                 18.386 
                 19.189 
                 1.00 
                 43.10 
                 N 
               
               
                 ATOM 
                 739 
                 NH2 
                 ARG 
                 A 
                 1737 
                 4.641 
                 18.348 
                 19.380 
                 1.00 
                 43.46 
                 N 
               
               
                 ATOM 
                 740 
                 N 
                 GLY 
                 A 
                 1738 
                 −0.483 
                 24.021 
                 24.461 
                 1.00 
                 24.52 
                 N 
               
               
                 ATOM 
                 741 
                 CA 
                 GLY 
                 A 
                 1738 
                 −1.685 
                 24.761 
                 24.799 
                 1.00 
                 24.68 
                 C 
               
               
                 ATOM 
                 742 
                 C 
                 GLY 
                 A 
                 1738 
                 −2.378 
                 24.200 
                 26.025 
                 1.00 
                 25.06 
                 C 
               
               
                 ATOM 
                 743 
                 O 
                 GLY 
                 A 
                 1738 
                 −1.812 
                 23.382 
                 26.766 
                 1.00 
                 25.42 
                 O 
               
               
                 ATOM 
                 744 
                 N 
                 ASP 
                 A 
                 1739 
                 −3.609 
                 24.638 
                 26.249 
                 1.00 
                 24.43 
                 N 
               
               
                 ATOM 
                 745 
                 CA 
                 ASP 
                 A 
                 1739 
                 −4.358 
                 24.174 
                 27.400 
                 1.00 
                 24.93 
                 C 
               
               
                 ATOM 
                 746 
                 C 
                 ASP 
                 A 
                 1739 
                 −5.838 
                 23.971 
                 27.056 
                 1.00 
                 25.86 
                 C 
               
               
                 ATOM 
                 747 
                 O 
                 ASP 
                 A 
                 1739 
                 −6.301 
                 24.425 
                 26.009 
                 1.00 
                 26.53 
                 O 
               
               
                 ATOM 
                 748 
                 CB 
                 ASP 
                 A 
                 1739 
                 −4.171 
                 25.134 
                 28.583 
                 1.00 
                 24.27 
                 C 
               
               
                 ATOM 
                 749 
                 CG 
                 ASP 
                 A 
                 1739 
                 −4.726 
                 26.514 
                 28.323 
                 1.00 
                 25.30 
                 C 
               
               
                 ATOM 
                 750 
                 OD1 
                 ASP 
                 A 
                 1739 
                 −5.988 
                 26.673 
                 28.306 
                 1.00 
                 22.40 
                 O 
               
               
                 ATOM 
                 751 
                 OD2 
                 ASP 
                 A 
                 1739 
                 −3.977 
                 27.530 
                 28.174 
                 1.00 
                 25.25 
                 O 
               
               
                 ATOM 
                 752 
                 N 
                 VAL 
                 A 
                 1740 
                 −6.585 
                 23.334 
                 27.954 
                 1.00 
                 25.85 
                 N 
               
               
                 ATOM 
                 753 
                 CA 
                 VAL 
                 A 
                 1740 
                 −7.982 
                 22.984 
                 27.668 
                 1.00 
                 27.39 
                 C 
               
               
                 ATOM 
                 754 
                 C 
                 VAL 
                 A 
                 1740 
                 −8.930 
                 24.169 
                 27.607 
                 1.00 
                 27.48 
                 C 
               
               
                 ATOM 
                 755 
                 O 
                 VAL 
                 A 
                 1740 
                 −10.110 
                 24.011 
                 27.300 
                 1.00 
                 27.81 
                 O 
               
               
                 ATOM 
                 756 
                 CB 
                 VAL 
                 A 
                 1740 
                 −8.518 
                 22.016 
                 28.720 
                 1.00 
                 27.51 
                 C 
               
               
                 ATOM 
                 757 
                 CG1 
                 VAL 
                 A 
                 1740 
                 −7.650 
                 20.753 
                 28.761 
                 1.00 
                 27.72 
                 C 
               
               
                 ATOM 
                 758 
                 CG2 
                 VAL 
                 A 
                 1740 
                 −8.572 
                 22.721 
                 30.100 
                 1.00 
                 28.36 
                 C 
               
               
                 ATOM 
                 759 
                 N 
                 VAL 
                 A 
                 1741 
                 −8.422 
                 25.364 
                 27.884 
                 1.00 
                 26.99 
                 N 
               
               
                 ATOM 
                 760 
                 CA 
                 VAL 
                 A 
                 1741 
                 −9.275 
                 26.541 
                 27.887 
                 1.00 
                 27.27 
                 C 
               
               
                 ATOM 
                 761 
                 C 
                 VAL 
                 A 
                 1741 
                 −8.992 
                 27.473 
                 26.722 
                 1.00 
                 27.50 
                 C 
               
               
                 ATOM 
                 762 
                 O 
                 VAL 
                 A 
                 1741 
                 −9.903 
                 27.842 
                 25.956 
                 1.00 
                 27.96 
                 O 
               
               
                 ATOM 
                 763 
                 CB 
                 VAL 
                 A 
                 1741 
                 −9.165 
                 27.337 
                 29.226 
                 1.00 
                 27.17 
                 C 
               
               
                 ATOM 
                 764 
                 CG1 
                 VAL 
                 A 
                 1741 
                 −9.882 
                 28.675 
                 29.123 
                 1.00 
                 27.78 
                 C 
               
               
                 ATOM 
                 765 
                 CG2 
                 VAL 
                 A 
                 1741 
                 −9.723 
                 26.518 
                 30.366 
                 1.00 
                 28.30 
                 C 
               
               
                 ATOM 
                 766 
                 N 
                 ASN 
                 A 
                 1742 
                 −7.731 
                 27.820 
                 26.535 
                 1.00 
                 26.85 
                 N 
               
               
                 ATOM 
                 767 
                 CA 
                 ASN 
                 A 
                 1742 
                 −7.425 
                 28.860 
                 25.560 
                 1.00 
                 27.45 
                 C 
               
               
                 ATOM 
                 768 
                 C 
                 ASN 
                 A 
                 1742 
                 −6.986 
                 28.417 
                 24.171 
                 1.00 
                 27.14 
                 C 
               
               
                 ATOM 
                 769 
                 O 
                 ASN 
                 A 
                 1742 
                 −6.782 
                 29.261 
                 23.293 
                 1.00 
                 28.01 
                 O 
               
               
                 ATOM 
                 770 
                 CB 
                 ASN 
                 A 
                 1742 
                 −6.407 
                 29.829 
                 26.163 
                 1.00 
                 26.91 
                 C 
               
               
                 ATOM 
                 771 
                 CG 
                 ASN 
                 A 
                 1742 
                 −6.965 
                 30.573 
                 27.367 
                 1.00 
                 27.80 
                 C 
               
               
                 ATOM 
                 772 
                 OD1 
                 ASN 
                 A 
                 1742 
                 −7.852 
                 31.422 
                 27.230 
                 1.00 
                 28.46 
                 O 
               
               
                 ATOM 
                 773 
                 ND2 
                 ASN 
                 A 
                 1742 
                 −6.462 
                 30.253 
                 28.549 
                 1.00 
                 24.00 
                 N 
               
               
                 ATOM 
                 774 
                 N 
                 GLY 
                 A 
                 1743 
                 −6.835 
                 27.115 
                 23.961 
                 1.00 
                 26.56 
                 N 
               
               
                 ATOM 
                 775 
                 CA 
                 GLY 
                 A 
                 1743 
                 −6.395 
                 26.628 
                 22.657 
                 1.00 
                 26.50 
                 C 
               
               
                 ATOM 
                 776 
                 C 
                 GLY 
                 A 
                 1743 
                 −5.375 
                 25.510 
                 22.722 
                 1.00 
                 26.14 
                 C 
               
               
                 ATOM 
                 777 
                 O 
                 GLY 
                 A 
                 1743 
                 −4.445 
                 25.548 
                 23.535 
                 1.00 
                 25.14 
                 O 
               
               
                 ATOM 
                 778 
                 N 
                 ARG 
                 A 
                 1744 
                 −5.507 
                 24.538 
                 21.823 
                 1.00 
                 25.51 
                 N 
               
               
                 ATOM 
                 779 
                 CA 
                 ARG 
                 A 
                 1744 
                 −4.651 
                 23.369 
                 21.853 
                 1.00 
                 26.02 
                 C 
               
               
                 ATOM 
                 780 
                 C 
                 ARG 
                 A 
                 1744 
                 −3.241 
                 23.611 
                 21.354 
                 1.00 
                 25.19 
                 C 
               
               
                 ATOM 
                 781 
                 O 
                 ARG 
                 A 
                 1744 
                 −2.360 
                 22.805 
                 21.626 
                 1.00 
                 25.63 
                 O 
               
               
                 ATOM 
                 782 
                 CB 
                 ARG 
                 A 
                 1744 
                 −5.281 
                 22.215 
                 21.048 
                 1.00 
                 25.81 
                 C 
               
               
                 ATOM 
                 783 
                 CG 
                 ARG 
                 A 
                 1744 
                 −6.598 
                 21.754 
                 21.636 
                 1.00 
                 28.55 
                 C 
               
               
                 ATOM 
                 784 
                 CD 
                 ARG 
                 A 
                 1744 
                 −7.147 
                 20.493 
                 21.013 
                 1.00 
                 30.52 
                 C 
               
               
                 ATOM 
                 785 
                 NE 
                 ARG 
                 A 
                 1744 
                 −6.331 
                 19.330 
                 21.342 
                 1.00 
                 33.35 
                 N 
               
               
                 ATOM 
                 786 
                 CZ 
                 ARG 
                 A 
                 1744 
                 −6.394 
                 18.648 
                 22.485 
                 1.00 
                 33.54 
                 C 
               
               
                 ATOM 
                 787 
                 NH1 
                 ARG 
                 A 
                 1744 
                 −7.241 
                 19.002 
                 23.452 
                 1.00 
                 34.73 
                 N 
               
               
                 ATOM 
                 788 
                 NH2 
                 ARG 
                 A 
                 1744 
                 −5.606 
                 17.601 
                 22.656 
                 1.00 
                 33.12 
                 N 
               
               
                 ATOM 
                 789 
                 N 
                 ASN 
                 A 
                 1745 
                 −3.030 
                 24.683 
                 20.591 
                 1.00 
                 24.58 
                 N 
               
               
                 ATOM 
                 790 
                 CA 
                 ASN 
                 A 
                 1745 
                 −1.707 
                 24.941 
                 20.031 
                 1.00 
                 24.66 
                 C 
               
               
                 ATOM 
                 791 
                 C 
                 ASN 
                 A 
                 1745 
                 −1.405 
                 26.432 
                 20.007 
                 1.00 
                 24.45 
                 C 
               
               
                 ATOM 
                 792 
                 O 
                 ASN 
                 A 
                 1745 
                 −0.840 
                 26.930 
                 19.052 
                 1.00 
                 25.27 
                 O 
               
               
                 ATOM 
                 793 
                 CB 
                 ASN 
                 A 
                 1745 
                 −1.587 
                 24.343 
                 18.613 
                 1.00 
                 25.58 
                 C 
               
               
                 ATOM 
                 794 
                 CG 
                 ASN 
                 A 
                 1745 
                 −0.138 
                 24.299 
                 18.099 
                 1.00 
                 26.95 
                 C 
               
               
                 ATOM 
                 795 
                 OD1 
                 ASN 
                 A 
                 1745 
                 0.793 
                 24.017 
                 18.841 
                 1.00 
                 27.90 
                 O 
               
               
                 ATOM 
                 796 
                 ND2 
                 ASN 
                 A 
                 1745 
                 0.044 
                 24.617 
                 16.831 
                 1.00 
                 31.89 
                 N 
               
               
                 ATOM 
                 797 
                 N 
                 HIS 
                 A 
                 1746 
                 −1.790 
                 27.145 
                 21.056 
                 1.00 
                 23.66 
                 N 
               
               
                 ATOM 
                 798 
                 CA 
                 HIS 
                 A 
                 1746 
                 −1.559 
                 28.583 
                 21.102 
                 1.00 
                 23.14 
                 C 
               
               
                 ATOM 
                 799 
                 C 
                 HIS 
                 A 
                 1746 
                 −0.078 
                 28.956 
                 21.278 
                 1.00 
                 23.27 
                 C 
               
               
                 ATOM 
                 800 
                 O 
                 HIS 
                 A 
                 1746 
                 0.321 
                 30.099 
                 21.010 
                 1.00 
                 23.59 
                 O 
               
               
                 ATOM 
                 801 
                 CB 
                 HIS 
                 A 
                 1746 
                 −2.449 
                 29.255 
                 22.157 
                 1.00 
                 23.84 
                 C 
               
               
                 ATOM 
                 802 
                 CG 
                 HIS 
                 A 
                 1746 
                 −2.192 
                 28.797 
                 23.560 
                 1.00 
                 24.37 
                 C 
               
               
                 ATOM 
                 803 
                 ND1 
                 HIS 
                 A 
                 1746 
                 −3.190 
                 28.304 
                 24.380 
                 1.00 
                 26.89 
                 N 
               
               
                 ATOM 
                 804 
                 CD2 
                 HIS 
                 A 
                 1746 
                 −1.057 
                 28.779 
                 24.296 
                 1.00 
                 21.40 
                 C 
               
               
                 ATOM 
                 805 
                 CE1 
                 HIS 
                 A 
                 1746 
                 −2.681 
                 28.024 
                 25.568 
                 1.00 
                 23.91 
                 C 
               
               
                 ATOM 
                 806 
                 NE2 
                 HIS 
                 A 
                 1746 
                 −1.383 
                 28.275 
                 25.532 
                 1.00 
                 27.21 
                 N 
               
               
                 ATOM 
                 807 
                 N 
                 GLN 
                 A 
                 1747 
                 0.726 
                 27.994 
                 21.724 
                 1.00 
                 21.90 
                 N 
               
               
                 ATOM 
                 808 
                 CA 
                 GLN 
                 A 
                 1747 
                 2.163 
                 28.190 
                 21.903 
                 1.00 
                 22.69 
                 C 
               
               
                 ATOM 
                 809 
                 C 
                 GLN 
                 A 
                 1747 
                 2.467 
                 29.324 
                 22.880 
                 1.00 
                 22.28 
                 C 
               
               
                 ATOM 
                 810 
                 O 
                 GLN 
                 A 
                 1747 
                 3.456 
                 30.056 
                 22.737 
                 1.00 
                 21.86 
                 O 
               
               
                 ATOM 
                 811 
                 CB 
                 GLN 
                 A 
                 1747 
                 2.876 
                 28.416 
                 20.549 
                 1.00 
                 22.24 
                 C 
               
               
                 ATOM 
                 812 
                 CG 
                 GLN 
                 A 
                 1747 
                 2.880 
                 27.174 
                 19.644 
                 1.00 
                 24.75 
                 C 
               
               
                 ATOM 
                 813 
                 CD 
                 GLN 
                 A 
                 1747 
                 3.813 
                 26.050 
                 20.128 
                 1.00 
                 28.16 
                 C 
               
               
                 ATOM 
                 814 
                 OE1 
                 GLN 
                 A 
                 1747 
                 4.806 
                 26.306 
                 20.844 
                 1.00 
                 29.19 
                 O 
               
               
                 ATOM 
                 815 
                 NE2 
                 GLN 
                 A 
                 1747 
                 3.509 
                 24.808 
                 19.727 
                 1.00 
                 28.13 
                 N 
               
               
                 ATOM 
                 816 
                 N 
                 GLY 
                 A 
                 1748 
                 1.606 
                 29.463 
                 23.877 
                 1.00 
                 21.59 
                 N 
               
               
                 ATOM 
                 817 
                 CA 
                 GLY 
                 A 
                 1748 
                 1.817 
                 30.468 
                 24.909 
                 1.00 
                 22.10 
                 C 
               
               
                 ATOM 
                 818 
                 C 
                 GLY 
                 A 
                 1748 
                 3.136 
                 30.308 
                 25.647 
                 1.00 
                 22.26 
                 C 
               
               
                 ATOM 
                 819 
                 O 
                 GLY 
                 A 
                 1748 
                 3.865 
                 31.274 
                 25.841 
                 1.00 
                 22.31 
                 O 
               
               
                 ATOM 
                 820 
                 N 
                 PRO 
                 A 
                 1749 
                 3.453 
                 29.109 
                 26.116 
                 1.00 
                 22.38 
                 N 
               
               
                 ATOM 
                 821 
                 CA 
                 PRO 
                 A 
                 1749 
                 4.722 
                 28.941 
                 26.832 
                 1.00 
                 22.37 
                 C 
               
               
                 ATOM 
                 822 
                 C 
                 PRO 
                 A 
                 1749 
                 5.935 
                 29.398 
                 26.013 
                 1.00 
                 21.94 
                 C 
               
               
                 ATOM 
                 823 
                 O 
                 PRO 
                 A 
                 1749 
                 6.760 
                 30.146 
                 26.542 
                 1.00 
                 22.26 
                 O 
               
               
                 ATOM 
                 824 
                 CB 
                 PRO 
                 A 
                 1749 
                 4.754 
                 27.450 
                 27.138 
                 1.00 
                 21.64 
                 C 
               
               
                 ATOM 
                 825 
                 CG 
                 PRO 
                 A 
                 1749 
                 3.282 
                 27.108 
                 27.273 
                 1.00 
                 22.05 
                 C 
               
               
                 ATOM 
                 826 
                 CD 
                 PRO 
                 A 
                 1749 
                 2.656 
                 27.871 
                 26.103 
                 1.00 
                 23.00 
                 C 
               
               
                 ATOM 
                 827 
                 N 
                 LYS 
                 A 
                 1750 
                 6.027 
                 28.989 
                 24.755 
                 1.00 
                 21.32 
                 N 
               
               
                 ATOM 
                 828 
                 CA 
                 LYS 
                 A 
                 1750 
                 7.130 
                 29.403 
                 23.893 
                 1.00 
                 21.74 
                 C 
               
               
                 ATOM 
                 829 
                 C 
                 LYS 
                 A 
                 1750 
                 7.147 
                 30.925 
                 23.711 
                 1.00 
                 21.91 
                 C 
               
               
                 ATOM 
                 830 
                 O 
                 LYS 
                 A 
                 1750 
                 8.204 
                 31.531 
                 23.745 
                 1.00 
                 21.20 
                 O 
               
               
                 ATOM 
                 831 
                 CB 
                 LYS 
                 A 
                 1750 
                 7.006 
                 28.720 
                 22.524 
                 1.00 
                 22.15 
                 C 
               
               
                 ATOM 
                 832 
                 CG 
                 LYS 
                 A 
                 1750 
                 7.929 
                 29.271 
                 21.427 
                 1.00 
                 22.74 
                 C 
               
               
                 ATOM 
                 833 
                 CD 
                 LYS 
                 A 
                 1750 
                 7.805 
                 28.392 
                 20.167 
                 1.00 
                 25.81 
                 C 
               
               
                 ATOM 
                 834 
                 CE 
                 LYS 
                 A 
                 1750 
                 8.765 
                 28.810 
                 19.020 
                 1.00 
                 26.22 
                 C 
               
               
                 ATOM 
                 835 
                 NZ 
                 LYS 
                 A 
                 1750 
                 8.569 
                 30.219 
                 18.581 
                 1.00 
                 27.71 
                 N 
               
               
                 ATOM 
                 836 
                 N 
                 ARG 
                 A 
                 1751 
                 5.976 
                 31.536 
                 23.539 
                 1.00 
                 21.71 
                 N 
               
               
                 ATOM 
                 837 
                 CA 
                 ARG 
                 A 
                 1751 
                 5.911 
                 32.988 
                 23.360 
                 1.00 
                 22.35 
                 C 
               
               
                 ATOM 
                 838 
                 C 
                 ARG 
                 A 
                 1751 
                 6.449 
                 33.754 
                 24.576 
                 1.00 
                 21.85 
                 C 
               
               
                 ATOM 
                 839 
                 O 
                 ARG 
                 A 
                 1751 
                 7.170 
                 34.761 
                 24.439 
                 1.00 
                 21.10 
                 O 
               
               
                 ATOM 
                 840 
                 CB 
                 ARG 
                 A 
                 1751 
                 4.481 
                 33.438 
                 23.026 
                 1.00 
                 23.43 
                 C 
               
               
                 ATOM 
                 841 
                 CG 
                 ARG 
                 A 
                 1751 
                 4.409 
                 34.828 
                 22.403 
                 1.00 
                 25.25 
                 C 
               
               
                 ATOM 
                 842 
                 CD 
                 ARG 
                 A 
                 1751 
                 3.261 
                 34.995 
                 21.382 
                 1.00 
                 29.76 
                 C 
               
               
                 ATOM 
                 843 
                 NE 
                 ARG 
                 A 
                 1751 
                 2.138 
                 34.235 
                 21.862 
                 1.00 
                 31.17 
                 N 
               
               
                 ATOM 
                 844 
                 CZ 
                 ARG 
                 A 
                 1751 
                 1.632 
                 33.156 
                 21.288 
                 1.00 
                 28.31 
                 C 
               
               
                 ATOM 
                 845 
                 NH1 
                 ARG 
                 A 
                 1751 
                 2.074 
                 32.710 
                 20.118 
                 1.00 
                 30.77 
                 N 
               
               
                 ATOM 
                 846 
                 NH2 
                 ARG 
                 A 
                 1751 
                 0.646 
                 32.535 
                 21.897 
                 1.00 
                 27.26 
                 N 
               
               
                 ATOM 
                 847 
                 N 
                 ALA 
                 A 
                 1752 
                 6.104 
                 33.269 
                 25.766 
                 1.00 
                 21.70 
                 N 
               
               
                 ATOM 
                 848 
                 CA 
                 ALA 
                 A 
                 1752 
                 6.598 
                 33.888 
                 26.989 
                 1.00 
                 22.04 
                 C 
               
               
                 ATOM 
                 849 
                 C 
                 ALA 
                 A 
                 1752 
                 8.111 
                 33.729 
                 27.096 
                 1.00 
                 20.96 
                 C 
               
               
                 ATOM 
                 850 
                 O 
                 ALA 
                 A 
                 1752 
                 8.821 
                 34.668 
                 27.457 
                 1.00 
                 21.13 
                 O 
               
               
                 ATOM 
                 851 
                 CB 
                 ALA 
                 A 
                 1752 
                 5.911 
                 33.302 
                 28.230 
                 1.00 
                 21.17 
                 C 
               
               
                 ATOM 
                 852 
                 N 
                 ARG 
                 A 
                 1753 
                 8.609 
                 32.546 
                 26.787 
                 1.00 
                 21.66 
                 N 
               
               
                 ATOM 
                 853 
                 CA 
                 ARG 
                 A 
                 1753 
                 10.058 
                 32.339 
                 26.834 
                 1.00 
                 22.12 
                 C 
               
               
                 ATOM 
                 854 
                 C 
                 ARG 
                 A 
                 1753 
                 10.731 
                 33.325 
                 25.907 
                 1.00 
                 22.24 
                 C 
               
               
                 ATOM 
                 855 
                 O 
                 ARG 
                 A 
                 1753 
                 11.835 
                 33.791 
                 26.166 
                 1.00 
                 23.14 
                 O 
               
               
                 ATOM 
                 856 
                 CB 
                 ARG 
                 A 
                 1753 
                 10.420 
                 30.971 
                 26.295 
                 1.00 
                 22.42 
                 C 
               
               
                 ATOM 
                 857 
                 CG 
                 ARG 
                 A 
                 1753 
                 10.230 
                 29.803 
                 27.216 
                 1.00 
                 22.67 
                 C 
               
               
                 ATOM 
                 858 
                 CD 
                 ARG 
                 A 
                 1753 
                 10.982 
                 28.597 
                 26.699 
                 1.00 
                 23.97 
                 C 
               
               
                 ATOM 
                 859 
                 NE 
                 ARG 
                 A 
                 1753 
                 10.466 
                 28.027 
                 25.449 
                 1.00 
                 23.88 
                 N 
               
               
                 ATOM 
                 860 
                 CZ 
                 ARG 
                 A 
                 1753 
                 11.042 
                 28.143 
                 24.244 
                 1.00 
                 24.85 
                 C 
               
               
                 ATOM 
                 861 
                 NH1 
                 ARG 
                 A 
                 1753 
                 12.135 
                 28.884 
                 24.059 
                 1.00 
                 24.13 
                 N 
               
               
                 ATOM 
                 862 
                 NH2 
                 ARG 
                 A 
                 1753 
                 10.510 
                 27.520 
                 23.202 
                 1.00 
                 24.17 
                 N 
               
               
                 ATOM 
                 863 
                 N 
                 GLU 
                 A 
                 1754 
                 10.055 
                 33.627 
                 24.807 
                 1.00 
                 22.93 
                 N 
               
               
                 ATOM 
                 864 
                 CA 
                 GLU 
                 A 
                 1754 
                 10.653 
                 34.434 
                 23.741 
                 1.00 
                 23.72 
                 C 
               
               
                 ATOM 
                 865 
                 C 
                 GLU 
                 A 
                 1754 
                 10.301 
                 35.911 
                 23.794 
                 1.00 
                 23.81 
                 C 
               
               
                 ATOM 
                 866 
                 O 
                 GLU 
                 A 
                 1754 
                 10.743 
                 36.692 
                 22.935 
                 1.00 
                 25.22 
                 O 
               
               
                 ATOM 
                 867 
                 CB 
                 GLU 
                 A 
                 1754 
                 10.285 
                 33.828 
                 22.368 
                 1.00 
                 23.29 
                 C 
               
               
                 ATOM 
                 868 
                 CG 
                 GLU 
                 A 
                 1754 
                 10.942 
                 32.469 
                 22.133 
                 1.00 
                 23.30 
                 C 
               
               
                 ATOM 
                 869 
                 CD 
                 GLU 
                 A 
                 1754 
                 10.563 
                 31.775 
                 20.826 
                 1.00 
                 27.24 
                 C 
               
               
                 ATOM 
                 870 
                 OE1 
                 GLU 
                 A 
                 1754 
                 9.548 
                 32.149 
                 20.191 
                 1.00 
                 26.54 
                 O 
               
               
                 ATOM 
                 871 
                 OE2 
                 GLU 
                 A 
                 1754 
                 11.294 
                 30.824 
                 20.437 
                 1.00 
                 25.87 
                 O 
               
               
                 ATOM 
                 872 
                 N 
                 SER 
                 A 
                 1755 
                 9.561 
                 36.320 
                 24.818 
                 1.00 
                 23.62 
                 N 
               
               
                 ATOM 
                 873 
                 CA 
                 SER 
                 A 
                 1755 
                 9.093 
                 37.702 
                 24.895 
                 1.00 
                 22.68 
                 C 
               
               
                 ATOM 
                 874 
                 C 
                 SER 
                 A 
                 1755 
                 9.408 
                 38.385 
                 26.203 
                 1.00 
                 22.66 
                 C 
               
               
                 ATOM 
                 875 
                 O 
                 SER 
                 A 
                 1755 
                 8.718 
                 39.329 
                 26.600 
                 1.00 
                 22.72 
                 O 
               
               
                 ATOM 
                 876 
                 CB 
                 SER 
                 A 
                 1755 
                 7.578 
                 37.776 
                 24.658 
                 1.00 
                 22.98 
                 C 
               
               
                 ATOM 
                 877 
                 OG 
                 SER 
                 A 
                 1755 
                 7.231 
                 37.148 
                 23.453 
                 1.00 
                 23.71 
                 O 
               
               
                 ATOM 
                 878 
                 N 
                 GLN 
                 A 
                 1756 
                 10.459 
                 37.933 
                 26.872 
                 1.00 
                 22.77 
                 N 
               
               
                 ATOM 
                 879 
                 CA 
                 GLN 
                 A 
                 1756 
                 10.830 
                 38.532 
                 28.139 
                 1.00 
                 23.68 
                 C 
               
               
                 ATOM 
                 880 
                 C 
                 GLN 
                 A 
                 1756 
                 11.280 
                 39.990 
                 28.046 
                 1.00 
                 24.52 
                 C 
               
               
                 ATOM 
                 881 
                 O 
                 GLN 
                 A 
                 1756 
                 11.255 
                 40.693 
                 29.046 
                 1.00 
                 23.97 
                 O 
               
               
                 ATOM 
                 882 
                 CB 
                 GLN 
                 A 
                 1756 
                 11.873 
                 37.664 
                 28.843 
                 1.00 
                 23.55 
                 C 
               
               
                 ATOM 
                 883 
                 CG 
                 GLN 
                 A 
                 1756 
                 11.269 
                 36.348 
                 29.285 
                 1.00 
                 23.77 
                 C 
               
               
                 ATOM 
                 884 
                 CD 
                 GLN 
                 A 
                 1756 
                 10.141 
                 36.562 
                 30.268 
                 1.00 
                 22.15 
                 C 
               
               
                 ATOM 
                 885 
                 OE1 
                 GLN 
                 A 
                 1756 
                 10.368 
                 37.019 
                 31.393 
                 1.00 
                 25.95 
                 O 
               
               
                 ATOM 
                 886 
                 NE2 
                 GLN 
                 A 
                 1756 
                 8.917 
                 36.280 
                 29.837 
                 1.00 
                 20.48 
                 N 
               
               
                 ATOM 
                 887 
                 N 
                 ASP 
                 A 
                 1757 
                 11.673 
                 40.448 
                 26.856 
                 1.00 
                 24.99 
                 N 
               
               
                 ATOM 
                 888 
                 CA 
                 ASP 
                 A 
                 1757 
                 12.064 
                 41.844 
                 26.689 
                 1.00 
                 25.99 
                 C 
               
               
                 ATOM 
                 889 
                 C 
                 ASP 
                 A 
                 1757 
                 10.852 
                 42.710 
                 26.355 
                 1.00 
                 25.49 
                 C 
               
               
                 ATOM 
                 890 
                 O 
                 ASP 
                 A 
                 1757 
                 10.955 
                 43.929 
                 26.283 
                 1.00 
                 25.57 
                 O 
               
               
                 ATOM 
                 891 
                 CB 
                 ASP 
                 A 
                 1757 
                 13.100 
                 41.996 
                 25.573 
                 1.00 
                 25.79 
                 C 
               
               
                 ATOM 
                 892 
                 CG 
                 ASP 
                 A 
                 1757 
                 14.477 
                 41.547 
                 25.992 
                 1.00 
                 29.24 
                 C 
               
               
                 ATOM 
                 893 
                 OD1 
                 ASP 
                 A 
                 1757 
                 14.805 
                 41.582 
                 27.206 
                 1.00 
                 29.38 
                 O 
               
               
                 ATOM 
                 894 
                 OD2 
                 ASP 
                 A 
                 1757 
                 15.300 
                 41.150 
                 25.151 
                 1.00 
                 30.88 
                 O 
               
               
                 ATOM 
                 895 
                 N 
                 ARG 
                 A 
                 1758 
                 9.712 
                 42.072 
                 26.132 
                 1.00 
                 25.82 
                 N 
               
               
                 ATOM 
                 896 
                 CA 
                 ARG 
                 A 
                 1758 
                 8.489 
                 42.796 
                 25.795 
                 1.00 
                 26.34 
                 C 
               
               
                 ATOM 
                 897 
                 C 
                 ARG 
                 A 
                 1758 
                 7.299 
                 42.146 
                 26.476 
                 1.00 
                 25.48 
                 C 
               
               
                 ATOM 
                 898 
                 O 
                 ARG 
                 A 
                 1758 
                 6.424 
                 41.527 
                 25.835 
                 1.00 
                 24.95 
                 O 
               
               
                 ATOM 
                 899 
                 CB 
                 ARG 
                 A 
                 1758 
                 8.279 
                 42.827 
                 24.290 
                 1.00 
                 26.91 
                 C 
               
               
                 ATOM 
                 900 
                 CG 
                 ARG 
                 A 
                 1758 
                 8.480 
                 41.502 
                 23.592 
                 1.00 
                 30.41 
                 C 
               
               
                 ATOM 
                 901 
                 CD 
                 ARG 
                 A 
                 1758 
                 7.575 
                 41.327 
                 22.384 
                 1.00 
                 36.98 
                 C 
               
               
                 ATOM 
                 902 
                 NE 
                 ARG 
                 A 
                 1758 
                 8.224 
                 41.525 
                 21.087 
                 1.00 
                 40.46 
                 N 
               
               
                 ATOM 
                 903 
                 CZ 
                 ARG 
                 A 
                 1758 
                 7.552 
                 41.854 
                 19.983 
                 1.00 
                 42.63 
                 C 
               
               
                 ATOM 
                 904 
                 NH1 
                 ARG 
                 A 
                 1758 
                 6.237 
                 42.042 
                 20.049 
                 1.00 
                 42.21 
                 N 
               
               
                 ATOM 
                 905 
                 NH2 
                 ARG 
                 A 
                 1758 
                 8.183 
                 42.003 
                 18.823 
                 1.00 
                 43.37 
                 N 
               
               
                 ATOM 
                 906 
                 N 
                 LYS 
                 A 
                 1759 
                 7.271 
                 42.299 
                 27.789 
                 1.00 
                 24.39 
                 N 
               
               
                 ATOM 
                 907 
                 CA 
                 LYS 
                 A 
                 1759 
                 6.260 
                 41.648 
                 28.600 
                 1.00 
                 24.35 
                 C 
               
               
                 ATOM 
                 908 
                 C 
                 LYS 
                 A 
                 1759 
                 4.855 
                 42.177 
                 28.314 
                 1.00 
                 24.82 
                 C 
               
               
                 ATOM 
                 909 
                 O 
                 LYS 
                 A 
                 1759 
                 4.672 
                 43.362 
                 27.997 
                 1.00 
                 24.88 
                 O 
               
               
                 ATOM 
                 910 
                 CB 
                 LYS 
                 A 
                 1759 
                 6.651 
                 41.729 
                 30.082 
                 1.00 
                 24.38 
                 C 
               
               
                 ATOM 
                 911 
                 CG 
                 LYS 
                 A 
                 1759 
                 8.007 
                 41.043 
                 30.344 
                 1.00 
                 25.02 
                 C 
               
               
                 ATOM 
                 912 
                 CD 
                 LYS 
                 A 
                 1759 
                 8.378 
                 41.153 
                 31.823 
                 1.00 
                 24.95 
                 C 
               
               
                 ATOM 
                 913 
                 CE 
                 LYS 
                 A 
                 1759 
                 9.664 
                 40.425 
                 32.149 
                 1.00 
                 28.10 
                 C 
               
               
                 ATOM 
                 914 
                 NZ 
                 LYS 
                 A 
                 1759 
                 9.863 
                 40.333 
                 33.620 
                 1.00 
                 31.56 
                 N 
               
               
                 ATOM 
                 915 
                 N 
                 ILE 
                 A 
                 1760 
                 3.875 
                 41.283 
                 28.408 
                 1.00 
                 24.02 
                 N 
               
               
                 ATOM 
                 916 
                 CA 
                 ILE 
                 A 
                 1760 
                 2.517 
                 41.583 
                 27.969 
                 1.00 
                 24.54 
                 C 
               
               
                 ATOM 
                 917 
                 C 
                 ILE 
                 A 
                 1760 
                 1.841 
                 42.700 
                 28.732 
                 1.00 
                 24.57 
                 C 
               
               
                 ATOM 
                 918 
                 O 
                 ILE 
                 A 
                 1760 
                 1.016 
                 43.414 
                 28.153 
                 1.00 
                 24.53 
                 O 
               
               
                 ATOM 
                 919 
                 CB 
                 ILE 
                 A 
                 1760 
                 1.636 
                 40.319 
                 27.961 
                 1.00 
                 24.05 
                 C 
               
               
                 ATOM 
                 920 
                 CG1 
                 ILE 
                 A 
                 1760 
                 1.639 
                 39.637 
                 29.326 
                 1.00 
                 24.38 
                 C 
               
               
                 ATOM 
                 921 
                 CG2 
                 ILE 
                 A 
                 1760 
                 2.073 
                 39.349 
                 26.852 
                 1.00 
                 23.90 
                 C 
               
               
                 ATOM 
                 922 
                 CD1 
                 ILE 
                 A 
                 1760 
                 0.599 
                 38.501 
                 29.393 
                 1.00 
                 23.37 
                 C 
               
               
                 ATOM 
                 923 
                 N 
                 PHE 
                 A 
                 1761 
                 2.215 
                 42.891 
                 30.000 
                 1.00 
                 23.67 
                 N 
               
               
                 ATOM 
                 924 
                 CA 
                 PHE 
                 A 
                 1761 
                 1.594 
                 43.945 
                 30.784 
                 1.00 
                 24.50 
                 C 
               
               
                 ATOM 
                 925 
                 C 
                 PHE 
                 A 
                 1761 
                 2.531 
                 45.116 
                 31.029 
                 1.00 
                 25.59 
                 C 
               
               
                 ATOM 
                 926 
                 O 
                 PHE 
                 A 
                 1761 
                 2.255 
                 45.948 
                 31.885 
                 1.00 
                 25.50 
                 O 
               
               
                 ATOM 
                 927 
                 CB 
                 PHE 
                 A 
                 1761 
                 1.051 
                 43.428 
                 32.122 
                 1.00 
                 24.34 
                 C 
               
               
                 ATOM 
                 928 
                 CG 
                 PHE 
                 A 
                 1761 
                 0.008 
                 42.359 
                 31.988 
                 1.00 
                 23.75 
                 C 
               
               
                 ATOM 
                 929 
                 CD1 
                 PHE 
                 A 
                 1761 
                 −0.098 
                 41.368 
                 32.954 
                 1.00 
                 23.52 
                 C 
               
               
                 ATOM 
                 930 
                 CD2 
                 PHE 
                 A 
                 1761 
                 −0.836 
                 42.313 
                 30.895 
                 1.00 
                 23.84 
                 C 
               
               
                 ATOM 
                 931 
                 CE1 
                 PHE 
                 A 
                 1761 
                 −1.025 
                 40.341 
                 32.840 
                 1.00 
                 25.32 
                 C 
               
               
                 ATOM 
                 932 
                 CE2 
                 PHE 
                 A 
                 1761 
                 −1.788 
                 41.311 
                 30.780 
                 1.00 
                 24.19 
                 C 
               
               
                 ATOM 
                 933 
                 CZ 
                 PHE 
                 A 
                 1761 
                 −1.883 
                 40.325 
                 31.758 
                 1.00 
                 24.88 
                 C 
               
               
                 ATOM 
                 934 
                 N 
                 ARG 
                 A 
                 1762 
                 3.618 
                 45.210 
                 30.268 
                 1.00 
                 26.42 
                 N 
               
               
                 ATOM 
                 935 
                 CA 
                 ARG 
                 A 
                 1762 
                 4.516 
                 46.339 
                 30.439 
                 1.00 
                 27.60 
                 C 
               
               
                 ATOM 
                 936 
                 C 
                 ARG 
                 A 
                 1762 
                 3.727 
                 47.634 
                 30.257 
                 1.00 
                 27.17 
                 C 
               
               
                 ATOM 
                 937 
                 O 
                 ARG 
                 A 
                 1762 
                 2.945 
                 47.780 
                 29.327 
                 1.00 
                 26.26 
                 O 
               
               
                 ATOM 
                 938 
                 CB 
                 ARG 
                 A 
                 1762 
                 5.689 
                 46.269 
                 29.449 
                 1.00 
                 28.28 
                 C 
               
               
                 ATOM 
                 939 
                 CG 
                 ARG 
                 A 
                 1762 
                 6.633 
                 47.437 
                 29.521 
                 1.00 
                 33.00 
                 C 
               
               
                 ATOM 
                 940 
                 CD 
                 ARG 
                 A 
                 1762 
                 7.099 
                 47.919 
                 28.120 
                 1.00 
                 42.26 
                 C 
               
               
                 ATOM 
                 941 
                 NE 
                 ARG 
                 A 
                 1762 
                 5.989 
                 47.979 
                 27.161 
                 1.00 
                 47.60 
                 N 
               
               
                 ATOM 
                 942 
                 CZ 
                 ARG 
                 A 
                 1762 
                 6.062 
                 48.543 
                 25.953 
                 1.00 
                 51.36 
                 C 
               
               
                 ATOM 
                 943 
                 NH1 
                 ARG 
                 A 
                 1762 
                 7.192 
                 49.113 
                 25.554 
                 1.00 
                 53.29 
                 N 
               
               
                 ATOM 
                 944 
                 NH2 
                 ARG 
                 A 
                 1762 
                 5.002 
                 48.553 
                 25.144 
                 1.00 
                 52.45 
                 N 
               
               
                 ATOM 
                 945 
                 N 
                 GLY 
                 A 
                 1763 
                 3.913 
                 48.562 
                 31.182 
                 1.00 
                 26.92 
                 N 
               
               
                 ATOM 
                 946 
                 CA 
                 GLY 
                 A 
                 1763 
                 3.252 
                 49.860 
                 31.081 
                 1.00 
                 26.68 
                 C 
               
               
                 ATOM 
                 947 
                 C 
                 GLY 
                 A 
                 1763 
                 1.835 
                 49.890 
                 31.617 
                 1.00 
                 26.75 
                 C 
               
               
                 ATOM 
                 948 
                 O 
                 GLY 
                 A 
                 1763 
                 1.106 
                 50.864 
                 31.416 
                 1.00 
                 27.22 
                 O 
               
               
                 ATOM 
                 949 
                 N 
                 LEU 
                 A 
                 1764 
                 1.428 
                 48.824 
                 32.298 
                 1.00 
                 26.19 
                 N 
               
               
                 ATOM 
                 950 
                 CA 
                 LEU 
                 A 
                 1764 
                 0.093 
                 48.808 
                 32.886 
                 1.00 
                 25.41 
                 C 
               
               
                 ATOM 
                 951 
                 C 
                 LEU 
                 A 
                 1764 
                 0.205 
                 48.890 
                 34.403 
                 1.00 
                 25.68 
                 C 
               
               
                 ATOM 
                 952 
                 O 
                 LEU 
                 A 
                 1764 
                 1.191 
                 48.418 
                 34.975 
                 1.00 
                 25.78 
                 O 
               
               
                 ATOM 
                 953 
                 CB 
                 LEU 
                 A 
                 1764 
                 −0.637 
                 47.518 
                 32.502 
                 1.00 
                 25.52 
                 C 
               
               
                 ATOM 
                 954 
                 CG 
                 LEU 
                 A 
                 1764 
                 −0.955 
                 47.286 
                 31.024 
                 1.00 
                 25.66 
                 C 
               
               
                 ATOM 
                 955 
                 CD1 
                 LEU 
                 A 
                 1764 
                 −1.713 
                 45.958 
                 30.840 
                 1.00 
                 22.88 
                 C 
               
               
                 ATOM 
                 956 
                 CD2 
                 LEU 
                 A 
                 1764 
                 −1.771 
                 48.432 
                 30.451 
                 1.00 
                 26.36 
                 C 
               
               
                 ATOM 
                 957 
                 N 
                 GLU 
                 A 
                 1765 
                 −0.782 
                 49.503 
                 35.051 
                 1.00 
                 25.40 
                 N 
               
               
                 ATOM 
                 958 
                 CA 
                 GLU 
                 A 
                 1765 
                 −0.849 
                 49.516 
                 36.509 
                 1.00 
                 25.54 
                 C 
               
               
                 ATOM 
                 959 
                 C 
                 GLU 
                 A 
                 1765 
                 −2.077 
                 48.690 
                 36.866 
                 1.00 
                 25.27 
                 C 
               
               
                 ATOM 
                 960 
                 O 
                 GLU 
                 A 
                 1765 
                 −3.167 
                 49.022 
                 36.444 
                 1.00 
                 24.89 
                 O 
               
               
                 ATOM 
                 961 
                 CB 
                 GLU 
                 A 
                 1765 
                 −1.046 
                 50.932 
                 37.059 
                 1.00 
                 26.09 
                 C 
               
               
                 ATOM 
                 962 
                 CG 
                 GLU 
                 A 
                 1765 
                 0.228 
                 51.725 
                 37.201 
                 1.00 
                 28.37 
                 C 
               
               
                 ATOM 
                 963 
                 CD 
                 GLU 
                 A 
                 1765 
                 0.103 
                 52.849 
                 38.220 
                 1.00 
                 29.58 
                 C 
               
               
                 ATOM 
                 964 
                 OE1 
                 GLU 
                 A 
                 1765 
                 −1.031 
                 53.182 
                 38.649 
                 1.00 
                 24.60 
                 O 
               
               
                 ATOM 
                 965 
                 OE2 
                 GLU 
                 A 
                 1765 
                 1.158 
                 53.392 
                 38.585 
                 1.00 
                 31.79 
                 O 
               
               
                 ATOM 
                 966 
                 N 
                 ILE 
                 A 
                 1766 
                 −1.915 
                 47.640 
                 37.661 
                 1.00 
                 25.07 
                 N 
               
               
                 ATOM 
                 967 
                 CA 
                 ILE 
                 A 
                 1766 
                 −3.047 
                 46.767 
                 37.965 
                 1.00 
                 25.10 
                 C 
               
               
                 ATOM 
                 968 
                 C 
                 ILE 
                 A 
                 1766 
                 −3.355 
                 46.639 
                 39.461 
                 1.00 
                 25.75 
                 C 
               
               
                 ATOM 
                 969 
                 O 
                 ILE 
                 A 
                 1766 
                 −2.452 
                 46.414 
                 40.289 
                 1.00 
                 25.20 
                 O 
               
               
                 ATOM 
                 970 
                 CB 
                 ILE 
                 A 
                 1766 
                 −2.785 
                 45.356 
                 37.384 
                 1.00 
                 25.40 
                 C 
               
               
                 ATOM 
                 971 
                 CG1 
                 ILE 
                 A 
                 1766 
                 −2.559 
                 45.413 
                 35.870 
                 1.00 
                 24.46 
                 C 
               
               
                 ATOM 
                 972 
                 CG2 
                 ILE 
                 A 
                 1766 
                 −3.904 
                 44.395 
                 37.767 
                 1.00 
                 25.24 
                 C 
               
               
                 ATOM 
                 973 
                 CD1 
                 ILE 
                 A 
                 1766 
                 −2.278 
                 44.030 
                 35.244 
                 1.00 
                 24.35 
                 C 
               
               
                 ATOM 
                 974 
                 N 
                 CYS 
                 A 
                 1767 
                 −4.628 
                 46.794 
                 39.808 
                 1.00 
                 25.42 
                 N 
               
               
                 ATOM 
                 975 
                 CA 
                 CYS 
                 A 
                 1767 
                 −5.047 
                 46.584 
                 41.183 
                 1.00 
                 26.50 
                 C 
               
               
                 ATOM 
                 976 
                 C 
                 CYS 
                 A 
                 1767 
                 −5.880 
                 45.314 
                 41.180 
                 1.00 
                 26.43 
                 C 
               
               
                 ATOM 
                 977 
                 O 
                 CYS 
                 A 
                 1767 
                 −6.894 
                 45.247 
                 40.485 
                 1.00 
                 26.80 
                 O 
               
               
                 ATOM 
                 978 
                 CB 
                 CYS 
                 A 
                 1767 
                 −5.873 
                 47.753 
                 41.703 
                 1.00 
                 26.42 
                 C 
               
               
                 ATOM 
                 979 
                 SG 
                 CYS 
                 A 
                 1767 
                 −6.536 
                 47.543 
                 43.396 
                 1.00 
                 27.72 
                 S 
               
               
                 ATOM 
                 980 
                 N 
                 CYS 
                 A 
                 1768 
                 −5.419 
                 44.301 
                 41.912 
                 1.00 
                 26.05 
                 N 
               
               
                 ATOM 
                 981 
                 CA 
                 CYS 
                 A 
                 1768 
                 −6.172 
                 43.066 
                 42.073 
                 1.00 
                 26.62 
                 C 
               
               
                 ATOM 
                 982 
                 C 
                 CYS 
                 A 
                 1768 
                 −7.088 
                 43.276 
                 43.286 
                 1.00 
                 26.73 
                 C 
               
               
                 ATOM 
                 983 
                 O 
                 CYS 
                 A 
                 1768 
                 −6.659 
                 43.185 
                 44.438 
                 1.00 
                 26.77 
                 O 
               
               
                 ATOM 
                 984 
                 CB 
                 CYS 
                 A 
                 1768 
                 −5.220 
                 41.894 
                 42.289 
                 1.00 
                 26.35 
                 C 
               
               
                 ATOM 
                 985 
                 SG 
                 CYS 
                 A 
                 1768 
                 −4.129 
                 41.599 
                 40.873 
                 1.00 
                 26.54 
                 S 
               
               
                 ATOM 
                 986 
                 N 
                 TYR 
                 A 
                 1769 
                 −8.345 
                 43.564 
                 42.996 
                 1.00 
                 26.38 
                 N 
               
               
                 ATOM 
                 987 
                 CA 
                 TYR 
                 A 
                 1769 
                 −9.317 
                 44.004 
                 43.985 
                 1.00 
                 27.38 
                 C 
               
               
                 ATOM 
                 988 
                 C 
                 TYR 
                 A 
                 1769 
                 −10.229 
                 42.835 
                 44.378 
                 1.00 
                 27.66 
                 C 
               
               
                 ATOM 
                 989 
                 O 
                 TYR 
                 A 
                 1769 
                 −11.058 
                 42.389 
                 43.593 
                 1.00 
                 26.66 
                 O 
               
               
                 ATOM 
                 990 
                 CB 
                 TYR 
                 A 
                 1769 
                 −10.100 
                 45.181 
                 43.378 
                 1.00 
                 27.50 
                 C 
               
               
                 ATOM 
                 991 
                 CG 
                 TYR 
                 A 
                 1769 
                 −10.926 
                 45.996 
                 44.355 
                 1.00 
                 29.17 
                 C 
               
               
                 ATOM 
                 992 
                 CD1 
                 TYR 
                 A 
                 1769 
                 −10.330 
                 46.866 
                 45.288 
                 1.00 
                 29.79 
                 C 
               
               
                 ATOM 
                 993 
                 CD2 
                 TYR 
                 A 
                 1769 
                 −12.300 
                 45.931 
                 44.316 
                 1.00 
                 30.16 
                 C 
               
               
                 ATOM 
                 994 
                 CE1 
                 TYR 
                 A 
                 1769 
                 −11.118 
                 47.608 
                 46.178 
                 1.00 
                 30.57 
                 C 
               
               
                 ATOM 
                 995 
                 CE2 
                 TYR 
                 A 
                 1769 
                 −13.080 
                 46.678 
                 45.185 
                 1.00 
                 32.31 
                 C 
               
               
                 ATOM 
                 996 
                 CZ 
                 TYR 
                 A 
                 1769 
                 −12.499 
                 47.486 
                 46.121 
                 1.00 
                 31.34 
                 C 
               
               
                 ATOM 
                 997 
                 OH 
                 TYR 
                 A 
                 1769 
                 −13.308 
                 48.202 
                 46.974 
                 1.00 
                 30.45 
                 O 
               
               
                 ATOM 
                 998 
                 N 
                 GLY 
                 A 
                 1770 
                 −10.019 
                 42.327 
                 45.595 
                 1.00 
                 28.90 
                 N 
               
               
                 ATOM 
                 999 
                 CA 
                 GLY 
                 A 
                 1770 
                 −10.709 
                 41.134 
                 46.094 
                 1.00 
                 29.31 
                 C 
               
               
                 ATOM 
                 1000 
                 C 
                 GLY 
                 A 
                 1770 
                 −12.176 
                 41.304 
                 46.425 
                 1.00 
                 30.06 
                 C 
               
               
                 ATOM 
                 1001 
                 O 
                 GLY 
                 A 
                 1770 
                 −12.705 
                 42.422 
                 46.404 
                 1.00 
                 31.36 
                 O 
               
               
                 ATOM 
                 1002 
                 N 
                 PRO 
                 A 
                 1771 
                 −12.818 
                 40.204 
                 46.807 
                 1.00 
                 30.31 
                 N 
               
               
                 ATOM 
                 1003 
                 CA 
                 PRO 
                 A 
                 1771 
                 −12.145 
                 38.915 
                 47.043 
                 1.00 
                 29.88 
                 C 
               
               
                 ATOM 
                 1004 
                 C 
                 PRO 
                 A 
                 1771 
                 −11.942 
                 37.998 
                 45.828 
                 1.00 
                 29.33 
                 C 
               
               
                 ATOM 
                 1005 
                 O 
                 PRO 
                 A 
                 1771 
                 −12.560 
                 38.177 
                 44.779 
                 1.00 
                 28.62 
                 O 
               
               
                 ATOM 
                 1006 
                 CB 
                 PRO 
                 A 
                 1771 
                 −13.121 
                 38.183 
                 47.983 
                 1.00 
                 29.86 
                 C 
               
               
                 ATOM 
                 1007 
                 CG 
                 PRO 
                 A 
                 1771 
                 −14.454 
                 38.880 
                 47.821 
                 1.00 
                 30.66 
                 C 
               
               
                 ATOM 
                 1008 
                 CD 
                 PRO 
                 A 
                 1771 
                 −14.278 
                 40.096 
                 46.972 
                 1.00 
                 30.69 
                 C 
               
               
                 ATOM 
                 1009 
                 N 
                 PHE 
                 A 
                 1772 
                 −11.102 
                 36.982 
                 46.013 
                 1.00 
                 28.54 
                 N 
               
               
                 ATOM 
                 1010 
                 CA 
                 PHE 
                 A 
                 1772 
                 −10.860 
                 35.957 
                 44.996 
                 1.00 
                 27.89 
                 C 
               
               
                 ATOM 
                 1011 
                 C 
                 PHE 
                 A 
                 1772 
                 −10.924 
                 34.559 
                 45.622 
                 1.00 
                 28.22 
                 C 
               
               
                 ATOM 
                 1012 
                 O 
                 PHE 
                 A 
                 1772 
                 −10.799 
                 34.406 
                 46.850 
                 1.00 
                 27.52 
                 O 
               
               
                 ATOM 
                 1013 
                 CB 
                 PHE 
                 A 
                 1772 
                 −9.489 
                 36.138 
                 44.324 
                 1.00 
                 27.92 
                 C 
               
               
                 ATOM 
                 1014 
                 CG 
                 PHE 
                 A 
                 1772 
                 −9.315 
                 37.458 
                 43.628 
                 1.00 
                 26.98 
                 C 
               
               
                 ATOM 
                 1015 
                 CD1 
                 PHE 
                 A 
                 1772 
                 −8.686 
                 38.509 
                 44.271 
                 1.00 
                 26.56 
                 C 
               
               
                 ATOM 
                 1016 
                 CD2 
                 PHE 
                 A 
                 1772 
                 −9.792 
                 37.651 
                 42.345 
                 1.00 
                 27.57 
                 C 
               
               
                 ATOM 
                 1017 
                 CE1 
                 PHE 
                 A 
                 1772 
                 −8.518 
                 39.744 
                 43.646 
                 1.00 
                 26.59 
                 C 
               
               
                 ATOM 
                 1018 
                 CE2 
                 PHE 
                 A 
                 1772 
                 −9.633 
                 38.895 
                 41.706 
                 1.00 
                 28.29 
                 C 
               
               
                 ATOM 
                 1019 
                 CZ 
                 PHE 
                 A 
                 1772 
                 −9.007 
                 39.941 
                 42.370 
                 1.00 
                 24.25 
                 C 
               
               
                 ATOM 
                 1020 
                 N 
                 THR 
                 A 
                 1773 
                 −11.130 
                 33.547 
                 44.778 
                 1.00 
                 28.39 
                 N 
               
               
                 ATOM 
                 1021 
                 CA 
                 THR 
                 A 
                 1773 
                 −11.074 
                 32.177 
                 45.232 
                 1.00 
                 29.16 
                 C 
               
               
                 ATOM 
                 1022 
                 C 
                 THR 
                 A 
                 1773 
                 −10.002 
                 31.383 
                 44.492 
                 1.00 
                 29.03 
                 C 
               
               
                 ATOM 
                 1023 
                 O 
                 THR 
                 A 
                 1773 
                 −9.651 
                 31.684 
                 43.343 
                 1.00 
                 28.55 
                 O 
               
               
                 ATOM 
                 1024 
                 CB 
                 THR 
                 A 
                 1773 
                 −12.443 
                 31.458 
                 45.060 
                 1.00 
                 29.72 
                 C 
               
               
                 ATOM 
                 1025 
                 OG1 
                 THR 
                 A 
                 1773 
                 −12.671 
                 31.172 
                 43.671 
                 1.00 
                 29.53 
                 O 
               
               
                 ATOM 
                 1026 
                 CG2 
                 THR 
                 A 
                 1773 
                 −13.582 
                 32.392 
                 45.445 
                 1.00 
                 30.21 
                 C 
               
               
                 ATOM 
                 1027 
                 N 
                 ASN 
                 A 
                 1774 
                 −9.492 
                 30.368 
                 45.186 
                 1.00 
                 29.25 
                 N 
               
               
                 ATOM 
                 1028 
                 CA 
                 ASN 
                 A 
                 1774 
                 −8.536 
                 29.404 
                 44.644 
                 1.00 
                 30.24 
                 C 
               
               
                 ATOM 
                 1029 
                 C 
                 ASN 
                 A 
                 1774 
                 −7.206 
                 29.965 
                 44.193 
                 1.00 
                 29.98 
                 C 
               
               
                 ATOM 
                 1030 
                 O 
                 ASN 
                 A 
                 1774 
                 −6.348 
                 29.239 
                 43.720 
                 1.00 
                 30.34 
                 O 
               
               
                 ATOM 
                 1031 
                 CB 
                 ASN 
                 A 
                 1774 
                 −9.188 
                 28.599 
                 43.520 
                 1.00 
                 30.62 
                 C 
               
               
                 ATOM 
                 1032 
                 CG 
                 ASN 
                 A 
                 1774 
                 −10.395 
                 27.829 
                 44.007 
                 1.00 
                 33.86 
                 C 
               
               
                 ATOM 
                 1033 
                 OD1 
                 ASN 
                 A 
                 1774 
                 −11.327 
                 27.536 
                 43.256 
                 1.00 
                 38.78 
                 O 
               
               
                 ATOM 
                 1034 
                 ND2 
                 ASN 
                 A 
                 1774 
                 −10.395 
                 27.533 
                 45.297 
                 1.00 
                 34.54 
                 N 
               
               
                 ATOM 
                 1035 
                 N 
                 MET 
                 A 
                 1775 
                 −7.040 
                 31.253 
                 44.341 
                 1.00 
                 30.26 
                 N 
               
               
                 ATOM 
                 1036 
                 CA 
                 MET 
                 A 
                 1775 
                 −5.780 
                 31.854 
                 43.959 
                 1.00 
                 30.54 
                 C 
               
               
                 ATOM 
                 1037 
                 C 
                 MET 
                 A 
                 1775 
                 −5.523 
                 33.037 
                 44.869 
                 1.00 
                 30.62 
                 C 
               
               
                 ATOM 
                 1038 
                 O 
                 MET 
                 A 
                 1775 
                 −6.146 
                 34.085 
                 44.717 
                 1.00 
                 31.41 
                 O 
               
               
                 ATOM 
                 1039 
                 CB 
                 MET 
                 A 
                 1775 
                 −5.810 
                 32.262 
                 42.483 
                 1.00 
                 30.05 
                 C 
               
               
                 ATOM 
                 1040 
                 CG 
                 MET 
                 A 
                 1775 
                 −4.477 
                 32.792 
                 41.944 
                 1.00 
                 30.94 
                 C 
               
               
                 ATOM 
                 1041 
                 SD 
                 MET 
                 A 
                 1775 
                 −4.637 
                 33.327 
                 40.209 
                 1.00 
                 30.61 
                 S 
               
               
                 ATOM 
                 1042 
                 CE 
                 MET 
                 A 
                 1775 
                 −4.763 
                 31.773 
                 39.369 
                 1.00 
                 28.57 
                 C 
               
               
                 ATOM 
                 1043 
                 N 
                 PRO 
                 A 
                 1776 
                 −4.618 
                 32.862 
                 45.829 
                 1.00 
                 30.40 
                 N 
               
               
                 ATOM 
                 1044 
                 CA 
                 PRO 
                 A 
                 1776 
                 −4.292 
                 33.922 
                 46.781 
                 1.00 
                 29.77 
                 C 
               
               
                 ATOM 
                 1045 
                 C 
                 PRO 
                 A 
                 1776 
                 −3.943 
                 35.191 
                 46.037 
                 1.00 
                 29.25 
                 C 
               
               
                 ATOM 
                 1046 
                 O 
                 PRO 
                 A 
                 1776 
                 −3.230 
                 35.183 
                 45.026 
                 1.00 
                 28.93 
                 O 
               
               
                 ATOM 
                 1047 
                 CB 
                 PRO 
                 A 
                 1776 
                 −3.069 
                 33.387 
                 47.530 
                 1.00 
                 29.89 
                 C 
               
               
                 ATOM 
                 1048 
                 CG 
                 PRO 
                 A 
                 1776 
                 −3.098 
                 31.908 
                 47.334 
                 1.00 
                 30.76 
                 C 
               
               
                 ATOM 
                 1049 
                 CD 
                 PRO 
                 A 
                 1776 
                 −3.842 
                 31.634 
                 46.061 
                 1.00 
                 30.92 
                 C 
               
               
                 ATOM 
                 1050 
                 N 
                 THR 
                 A 
                 1777 
                 −4.458 
                 36.294 
                 46.562 
                 1.00 
                 28.71 
                 N 
               
               
                 ATOM 
                 1051 
                 CA 
                 THR 
                 A 
                 1777 
                 −4.290 
                 37.596 
                 45.961 
                 1.00 
                 27.45 
                 C 
               
               
                 ATOM 
                 1052 
                 C 
                 THR 
                 A 
                 1777 
                 −2.855 
                 37.948 
                 45.632 
                 1.00 
                 27.45 
                 C 
               
               
                 ATOM 
                 1053 
                 O 
                 THR 
                 A 
                 1777 
                 −2.586 
                 38.522 
                 44.577 
                 1.00 
                 25.81 
                 O 
               
               
                 ATOM 
                 1054 
                 CB 
                 THR 
                 A 
                 1777 
                 −4.870 
                 38.661 
                 46.894 
                 1.00 
                 28.01 
                 C 
               
               
                 ATOM 
                 1055 
                 OG1 
                 THR 
                 A 
                 1777 
                 −6.289 
                 38.477 
                 46.953 
                 1.00 
                 27.40 
                 O 
               
               
                 ATOM 
                 1056 
                 CG2 
                 THR 
                 A 
                 1777 
                 −4.683 
                 40.049 
                 46.291 
                 1.00 
                 27.84 
                 C 
               
               
                 ATOM 
                 1057 
                 N 
                 ASP 
                 A 
                 1778 
                 −1.925 
                 37.632 
                 46.523 
                 1.00 
                 26.91 
                 N 
               
               
                 ATOM 
                 1058 
                 CA 
                 ASP 
                 A 
                 1778 
                 −0.547 
                 38.018 
                 46.248 
                 1.00 
                 27.03 
                 C 
               
               
                 ATOM 
                 1059 
                 C 
                 ASP 
                 A 
                 1778 
                 0.121 
                 37.162 
                 45.168 
                 1.00 
                 26.11 
                 C 
               
               
                 ATOM 
                 1060 
                 O 
                 ASP 
                 A 
                 1778 
                 1.205 
                 37.492 
                 44.695 
                 1.00 
                 26.57 
                 O 
               
               
                 ATOM 
                 1061 
                 CB 
                 ASP 
                 A 
                 1778 
                 0.313 
                 38.160 
                 47.515 
                 1.00 
                 27.89 
                 C 
               
               
                 ATOM 
                 1062 
                 CG 
                 ASP 
                 A 
                 1778 
                 0.442 
                 36.877 
                 48.309 
                 1.00 
                 30.00 
                 C 
               
               
                 ATOM 
                 1063 
                 OD1 
                 ASP 
                 A 
                 1778 
                 0.036 
                 35.787 
                 47.833 
                 1.00 
                 29.81 
                 O 
               
               
                 ATOM 
                 1064 
                 OD2 
                 ASP 
                 A 
                 1778 
                 0.948 
                 36.893 
                 49.465 
                 1.00 
                 33.69 
                 O 
               
               
                 ATOM 
                 1065 
                 N 
                 GLN 
                 A 
                 1779 
                 −0.540 
                 36.098 
                 44.751 
                 1.00 
                 25.07 
                 N 
               
               
                 ATOM 
                 1066 
                 CA 
                 GLN 
                 A 
                 1779 
                 −0.015 
                 35.251 
                 43.684 
                 1.00 
                 24.31 
                 C 
               
               
                 ATOM 
                 1067 
                 C 
                 GLN 
                 A 
                 1779 
                 −0.510 
                 35.789 
                 42.362 
                 1.00 
                 23.67 
                 C 
               
               
                 ATOM 
                 1068 
                 O 
                 GLN 
                 A 
                 1779 
                 0.208 
                 35.740 
                 41.357 
                 1.00 
                 22.63 
                 O 
               
               
                 ATOM 
                 1069 
                 CB 
                 GLN 
                 A 
                 1779 
                 −0.423 
                 33.791 
                 43.873 
                 1.00 
                 24.21 
                 C 
               
               
                 ATOM 
                 1070 
                 CG 
                 GLN 
                 A 
                 1779 
                 0.120 
                 33.177 
                 45.163 
                 1.00 
                 26.13 
                 C 
               
               
                 ATOM 
                 1071 
                 CD 
                 GLN 
                 A 
                 1779 
                 1.609 
                 33.436 
                 45.346 
                 1.00 
                 27.16 
                 C 
               
               
                 ATOM 
                 1072 
                 OE1 
                 GLN 
                 A 
                 1779 
                 2.014 
                 34.357 
                 46.083 
                 1.00 
                 30.91 
                 O 
               
               
                 ATOM 
                 1073 
                 NE2 
                 GLN 
                 A 
                 1779 
                 2.432 
                 32.653 
                 44.659 
                 1.00 
                 26.73 
                 N 
               
               
                 ATOM 
                 1074 
                 N 
                 LEU 
                 A 
                 1780 
                 −1.745 
                 36.292 
                 42.357 
                 1.00 
                 23.18 
                 N 
               
               
                 ATOM 
                 1075 
                 CA 
                 LEU 
                 A 
                 1780 
                 −2.262 
                 36.977 
                 41.179 
                 1.00 
                 23.21 
                 C 
               
               
                 ATOM 
                 1076 
                 C 
                 LEU 
                 A 
                 1780 
                 −1.404 
                 38.228 
                 40.982 
                 1.00 
                 22.75 
                 C 
               
               
                 ATOM 
                 1077 
                 O 
                 LEU 
                 A 
                 1780 
                 −1.034 
                 38.558 
                 39.857 
                 1.00 
                 21.45 
                 O 
               
               
                 ATOM 
                 1078 
                 CB 
                 LEU 
                 A 
                 1780 
                 −3.757 
                 37.347 
                 41.336 
                 1.00 
                 23.73 
                 C 
               
               
                 ATOM 
                 1079 
                 CG 
                 LEU 
                 A 
                 1780 
                 −4.484 
                 37.965 
                 40.122 
                 1.00 
                 24.76 
                 C 
               
               
                 ATOM 
                 1080 
                 CD1 
                 LEU 
                 A 
                 1780 
                 −4.382 
                 37.080 
                 38.872 
                 1.00 
                 23.61 
                 C 
               
               
                 ATOM 
                 1081 
                 CD2 
                 LEU 
                 A 
                 1780 
                 −5.961 
                 38.264 
                 40.472 
                 1.00 
                 23.90 
                 C 
               
               
                 ATOM 
                 1082 
                 N 
                 GLU 
                 A 
                 1781 
                 −1.053 
                 38.908 
                 42.077 
                 1.00 
                 22.70 
                 N 
               
               
                 ATOM 
                 1083 
                 CA 
                 GLU 
                 A 
                 1781 
                 −0.215 
                 40.099 
                 41.964 
                 1.00 
                 22.82 
                 C 
               
               
                 ATOM 
                 1084 
                 C 
                 GLU 
                 A 
                 1781 
                 1.166 
                 39.727 
                 41.433 
                 1.00 
                 22.65 
                 C 
               
               
                 ATOM 
                 1085 
                 O 
                 GLU 
                 A 
                 1781 
                 1.712 
                 40.398 
                 40.566 
                 1.00 
                 22.98 
                 O 
               
               
                 ATOM 
                 1086 
                 CB 
                 GLU 
                 A 
                 1781 
                 −0.110 
                 40.829 
                 43.302 
                 1.00 
                 23.74 
                 C 
               
               
                 ATOM 
                 1087 
                 CG 
                 GLU 
                 A 
                 1781 
                 −1.450 
                 41.413 
                 43.720 
                 1.00 
                 25.21 
                 C 
               
               
                 ATOM 
                 1088 
                 CD 
                 GLU 
                 A 
                 1781 
                 −1.422 
                 41.983 
                 45.119 
                 1.00 
                 31.15 
                 C 
               
               
                 ATOM 
                 1089 
                 OE1 
                 GLU 
                 A 
                 1781 
                 −0.600 
                 41.510 
                 45.928 
                 1.00 
                 32.47 
                 O 
               
               
                 ATOM 
                 1090 
                 OE2 
                 GLU 
                 A 
                 1781 
                 −2.210 
                 42.908 
                 45.403 
                 1.00 
                 31.02 
                 O 
               
               
                 ATOM 
                 1091 
                 N 
                 TRP 
                 A 
                 1782 
                 1.732 
                 38.643 
                 41.944 
                 1.00 
                 21.92 
                 N 
               
               
                 ATOM 
                 1092 
                 CA 
                 TRP 
                 A 
                 1782 
                 3.039 
                 38.200 
                 41.452 
                 1.00 
                 21.24 
                 C 
               
               
                 ATOM 
                 1093 
                 C 
                 TRP 
                 A 
                 1782 
                 2.961 
                 37.904 
                 39.945 
                 1.00 
                 20.76 
                 C 
               
               
                 ATOM 
                 1094 
                 O 
                 TRP 
                 A 
                 1782 
                 3.822 
                 38.327 
                 39.143 
                 1.00 
                 18.96 
                 O 
               
               
                 ATOM 
                 1095 
                 CB 
                 TRP 
                 A 
                 1782 
                 3.515 
                 36.973 
                 42.243 
                 1.00 
                 21.65 
                 C 
               
               
                 ATOM 
                 1096 
                 CG 
                 TRP 
                 A 
                 1782 
                 4.941 
                 36.541 
                 41.916 
                 1.00 
                 23.52 
                 C 
               
               
                 ATOM 
                 1097 
                 CD1 
                 TRP 
                 A 
                 1782 
                 5.987 
                 37.344 
                 41.526 
                 1.00 
                 25.08 
                 C 
               
               
                 ATOM 
                 1098 
                 CD2 
                 TRP 
                 A 
                 1782 
                 5.460 
                 35.208 
                 41.972 
                 1.00 
                 23.57 
                 C 
               
               
                 ATOM 
                 1099 
                 NE1 
                 TRP 
                 A 
                 1782 
                 7.118 
                 36.580 
                 41.329 
                 1.00 
                 25.54 
                 N 
               
               
                 ATOM 
                 1100 
                 CE2 
                 TRP 
                 A 
                 1782 
                 6.820 
                 35.266 
                 41.599 
                 1.00 
                 23.80 
                 C 
               
               
                 ATOM 
                 1101 
                 CE3 
                 TRP 
                 A 
                 1782 
                 4.907 
                 33.962 
                 42.302 
                 1.00 
                 24.18 
                 C 
               
               
                 ATOM 
                 1102 
                 CZ2 
                 TRP 
                 A 
                 1782 
                 7.638 
                 34.122 
                 41.535 
                 1.00 
                 24.52 
                 C 
               
               
                 ATOM 
                 1103 
                 CZ3 
                 TRP 
                 A 
                 1782 
                 5.723 
                 32.826 
                 42.247 
                 1.00 
                 24.47 
                 C 
               
               
                 ATOM 
                 1104 
                 CH2 
                 TRP 
                 A 
                 1782 
                 7.067 
                 32.918 
                 41.858 
                 1.00 
                 24.87 
                 C 
               
               
                 ATOM 
                 1105 
                 N 
                 MET 
                 A 
                 1783 
                 1.910 
                 37.189 
                 39.557 
                 1.00 
                 20.12 
                 N 
               
               
                 ATOM 
                 1106 
                 CA 
                 MET 
                 A 
                 1783 
                 1.719 
                 36.856 
                 38.156 
                 1.00 
                 21.28 
                 C 
               
               
                 ATOM 
                 1107 
                 C 
                 MET 
                 A 
                 1783 
                 1.753 
                 38.103 
                 37.272 
                 1.00 
                 21.46 
                 C 
               
               
                 ATOM 
                 1108 
                 O 
                 MET 
                 A 
                 1783 
                 2.467 
                 38.156 
                 36.259 
                 1.00 
                 22.05 
                 O 
               
               
                 ATOM 
                 1109 
                 CB 
                 MET 
                 A 
                 1783 
                 0.373 
                 36.142 
                 37.970 
                 1.00 
                 21.69 
                 C 
               
               
                 ATOM 
                 1110 
                 CG 
                 MET 
                 A 
                 1783 
                 0.220 
                 35.408 
                 36.647 
                 1.00 
                 21.85 
                 C 
               
               
                 ATOM 
                 1111 
                 SD 
                 MET 
                 A 
                 1783 
                 −1.512 
                 34.881 
                 36.351 
                 1.00 
                 22.73 
                 S 
               
               
                 ATOM 
                 1112 
                 CE 
                 MET 
                 A 
                 1783 
                 −1.745 
                 33.707 
                 37.731 
                 1.00 
                 22.61 
                 C 
               
               
                 ATOM 
                 1113 
                 N 
                 VAL 
                 A 
                 1784 
                 0.958 
                 39.103 
                 37.611 
                 1.00 
                 21.18 
                 N 
               
               
                 ATOM 
                 1114 
                 CA 
                 VAL 
                 A 
                 1784 
                 0.947 
                 40.285 
                 36.755 
                 1.00 
                 21.52 
                 C 
               
               
                 ATOM 
                 1115 
                 C 
                 VAL 
                 A 
                 1784 
                 2.284 
                 41.013 
                 36.807 
                 1.00 
                 22.09 
                 C 
               
               
                 ATOM 
                 1116 
                 O 
                 VAL 
                 A 
                 1784 
                 2.729 
                 41.537 
                 35.799 
                 1.00 
                 21.53 
                 O 
               
               
                 ATOM 
                 1117 
                 CB 
                 VAL 
                 A 
                 1784 
                 −0.276 
                 41.192 
                 37.004 
                 1.00 
                 21.45 
                 C 
               
               
                 ATOM 
                 1118 
                 CG1 
                 VAL 
                 A 
                 1784 
                 −1.568 
                 40.359 
                 36.842 
                 1.00 
                 21.13 
                 C 
               
               
                 ATOM 
                 1119 
                 CG2 
                 VAL 
                 A 
                 1784 
                 −0.220 
                 41.862 
                 38.379 
                 1.00 
                 22.13 
                 C 
               
               
                 ATOM 
                 1120 
                 N 
                 GLN 
                 A 
                 1785 
                 2.948 
                 41.003 
                 37.963 
                 1.00 
                 23.00 
                 N 
               
               
                 ATOM 
                 1121 
                 CA 
                 GLN 
                 A 
                 1785 
                 4.251 
                 41.649 
                 38.077 
                 1.00 
                 24.82 
                 C 
               
               
                 ATOM 
                 1122 
                 C 
                 GLN 
                 A 
                 1785 
                 5.294 
                 40.979 
                 37.196 
                 1.00 
                 24.78 
                 C 
               
               
                 ATOM 
                 1123 
                 O 
                 GLN 
                 A 
                 1785 
                 6.104 
                 41.643 
                 36.540 
                 1.00 
                 24.69 
                 O 
               
               
                 ATOM 
                 1124 
                 CB 
                 GLN 
                 A 
                 1785 
                 4.741 
                 41.635 
                 39.517 
                 1.00 
                 26.16 
                 C 
               
               
                 ATOM 
                 1125 
                 CG 
                 GLN 
                 A 
                 1785 
                 4.171 
                 42.738 
                 40.352 
                 1.00 
                 32.52 
                 C 
               
               
                 ATOM 
                 1126 
                 CD 
                 GLN 
                 A 
                 1785 
                 4.792 
                 42.783 
                 41.733 
                 1.00 
                 37.16 
                 C 
               
               
                 ATOM 
                 1127 
                 OE1 
                 GLN 
                 A 
                 1785 
                 5.533 
                 43.712 
                 42.055 
                 1.00 
                 41.54 
                 O 
               
               
                 ATOM 
                 1128 
                 NE2 
                 GLN 
                 A 
                 1785 
                 4.508 
                 41.767 
                 42.546 
                 1.00 
                 41.37 
                 N 
               
               
                 ATOM 
                 1129 
                 N 
                 LEU 
                 A 
                 1786 
                 5.286 
                 39.658 
                 37.216 
                 1.00 
                 23.87 
                 N 
               
               
                 ATOM 
                 1130 
                 CA 
                 LEU 
                 A 
                 1786 
                 6.176 
                 38.868 
                 36.384 
                 1.00 
                 23.75 
                 C 
               
               
                 ATOM 
                 1131 
                 C 
                 LEU 
                 A 
                 1786 
                 5.915 
                 39.218 
                 34.927 
                 1.00 
                 23.54 
                 C 
               
               
                 ATOM 
                 1132 
                 O 
                 LEU 
                 A 
                 1786 
                 6.806 
                 39.125 
                 34.070 
                 1.00 
                 22.97 
                 O 
               
               
                 ATOM 
                 1133 
                 CB 
                 LEU 
                 A 
                 1786 
                 5.874 
                 37.391 
                 36.585 
                 1.00 
                 23.20 
                 C 
               
               
                 ATOM 
                 1134 
                 CG 
                 LEU 
                 A 
                 1786 
                 6.414 
                 36.754 
                 37.873 
                 1.00 
                 23.54 
                 C 
               
               
                 ATOM 
                 1135 
                 CD1 
                 LEU 
                 A 
                 1786 
                 5.777 
                 35.425 
                 38.059 
                 1.00 
                 24.11 
                 C 
               
               
                 ATOM 
                 1136 
                 CD2 
                 LEU 
                 A 
                 1786 
                 7.938 
                 36.632 
                 37.805 
                 1.00 
                 24.52 
                 C 
               
               
                 ATOM 
                 1137 
                 N 
                 CYS 
                 A 
                 1787 
                 4.674 
                 39.602 
                 34.663 
                 1.00 
                 23.42 
                 N 
               
               
                 ATOM 
                 1138 
                 CA 
                 CYS 
                 A 
                 1787 
                 4.244 
                 39.955 
                 33.309 
                 1.00 
                 23.93 
                 C 
               
               
                 ATOM 
                 1139 
                 C 
                 CYS 
                 A 
                 1787 
                 4.455 
                 41.436 
                 32.969 
                 1.00 
                 24.40 
                 C 
               
               
                 ATOM 
                 1140 
                 O 
                 CYS 
                 A 
                 1787 
                 3.934 
                 41.940 
                 31.961 
                 1.00 
                 23.74 
                 O 
               
               
                 ATOM 
                 1141 
                 CB 
                 CYS 
                 A 
                 1787 
                 2.784 
                 39.549 
                 33.077 
                 1.00 
                 24.32 
                 C 
               
               
                 ATOM 
                 1142 
                 SG 
                 CYS 
                 A 
                 1787 
                 2.557 
                 37.759 
                 32.865 
                 1.00 
                 24.92 
                 S 
               
               
                 ATOM 
                 1143 
                 N 
                 GLY 
                 A 
                 1788 
                 5.202 
                 42.136 
                 33.819 
                 1.00 
                 24.77 
                 N 
               
               
                 ATOM 
                 1144 
                 CA 
                 GLY 
                 A 
                 1788 
                 5.551 
                 43.517 
                 33.535 
                 1.00 
                 24.95 
                 C 
               
               
                 ATOM 
                 1145 
                 C 
                 GLY 
                 A 
                 1788 
                 4.697 
                 44.588 
                 34.170 
                 1.00 
                 25.18 
                 C 
               
               
                 ATOM 
                 1146 
                 O 
                 GLY 
                 A 
                 1788 
                 5.039 
                 45.780 
                 34.101 
                 1.00 
                 25.67 
                 O 
               
               
                 ATOM 
                 1147 
                 N 
                 ALA 
                 A 
                 1789 
                 3.590 
                 44.208 
                 34.805 
                 1.00 
                 25.56 
                 N 
               
               
                 ATOM 
                 1148 
                 CA 
                 ALA 
                 A 
                 1789 
                 2.741 
                 45.242 
                 35.394 
                 1.00 
                 26.40 
                 C 
               
               
                 ATOM 
                 1149 
                 C 
                 ALA 
                 A 
                 1789 
                 3.277 
                 45.784 
                 36.709 
                 1.00 
                 27.37 
                 C 
               
               
                 ATOM 
                 1150 
                 O 
                 ALA 
                 A 
                 1789 
                 4.032 
                 45.112 
                 37.422 
                 1.00 
                 27.03 
                 O 
               
               
                 ATOM 
                 1151 
                 CB 
                 ALA 
                 A 
                 1789 
                 1.326 
                 44.724 
                 35.606 
                 1.00 
                 26.61 
                 C 
               
               
                 ATOM 
                 1152 
                 N 
                 SER 
                 A 
                 1790 
                 2.827 
                 46.991 
                 37.034 
                 1.00 
                 27.98 
                 N 
               
               
                 ATOM 
                 1153 
                 CA 
                 SER 
                 A 
                 1790 
                 3.066 
                 47.591 
                 38.328 
                 1.00 
                 29.61 
                 C 
               
               
                 ATOM 
                 1154 
                 C 
                 SER 
                 A 
                 1790 
                 1.843 
                 47.255 
                 39.194 
                 1.00 
                 29.23 
                 C 
               
               
                 ATOM 
                 1155 
                 O 
                 SER 
                 A 
                 1790 
                 0.697 
                 47.460 
                 38.787 
                 1.00 
                 29.69 
                 O 
               
               
                 ATOM 
                 1156 
                 CB 
                 SER 
                 A 
                 1790 
                 3.250 
                 49.107 
                 38.185 
                 1.00 
                 29.58 
                 C 
               
               
                 ATOM 
                 1157 
                 OG 
                 SER 
                 A 
                 1790 
                 3.437 
                 49.677 
                 39.464 
                 1.00 
                 35.28 
                 O 
               
               
                 ATOM 
                 1158 
                 N 
                 VAL 
                 A 
                 1791 
                 2.086 
                 46.689 
                 40.368 
                 1.00 
                 28.99 
                 N 
               
               
                 ATOM 
                 1159 
                 CA 
                 VAL 
                 A 
                 1791 
                 1.019 
                 46.317 
                 41.279 
                 1.00 
                 29.25 
                 C 
               
               
                 ATOM 
                 1160 
                 C 
                 VAL 
                 A 
                 1791 
                 0.618 
                 47.514 
                 42.137 
                 1.00 
                 29.63 
                 C 
               
               
                 ATOM 
                 1161 
                 O 
                 VAL 
                 A 
                 1791 
                 1.466 
                 48.204 
                 42.720 
                 1.00 
                 29.53 
                 O 
               
               
                 ATOM 
                 1162 
                 CB 
                 VAL 
                 A 
                 1791 
                 1.441 
                 45.133 
                 42.201 
                 1.00 
                 28.68 
                 C 
               
               
                 ATOM 
                 1163 
                 CG1 
                 VAL 
                 A 
                 1791 
                 0.403 
                 44.903 
                 43.313 
                 1.00 
                 28.69 
                 C 
               
               
                 ATOM 
                 1164 
                 CG2 
                 VAL 
                 A 
                 1791 
                 1.621 
                 43.862 
                 41.380 
                 1.00 
                 30.13 
                 C 
               
               
                 ATOM 
                 1165 
                 N 
                 VAL 
                 A 
                 1792 
                 −0.683 
                 47.751 
                 42.202 
                 1.00 
                 29.72 
                 N 
               
               
                 ATOM 
                 1166 
                 CA 
                 VAL 
                 A 
                 1792 
                 −1.234 
                 48.835 
                 42.994 
                 1.00 
                 30.74 
                 C 
               
               
                 ATOM 
                 1167 
                 C 
                 VAL 
                 A 
                 1792 
                 −2.142 
                 48.188 
                 44.036 
                 1.00 
                 30.89 
                 C 
               
               
                 ATOM 
                 1168 
                 O 
                 VAL 
                 A 
                 1792 
                 −2.986 
                 47.378 
                 43.686 
                 1.00 
                 29.79 
                 O 
               
               
                 ATOM 
                 1169 
                 CB 
                 VAL 
                 A 
                 1792 
                 −2.033 
                 49.793 
                 42.080 
                 1.00 
                 30.90 
                 C 
               
               
                 ATOM 
                 1170 
                 CG1 
                 VAL 
                 A 
                 1792 
                 −2.978 
                 50.638 
                 42.884 
                 1.00 
                 30.73 
                 C 
               
               
                 ATOM 
                 1171 
                 CG2 
                 VAL 
                 A 
                 1792 
                 −1.071 
                 50.651 
                 41.236 
                 1.00 
                 31.57 
                 C 
               
               
                 ATOM 
                 1172 
                 N 
                 LYS 
                 A 
                 1793 
                 −1.970 
                 48.540 
                 45.310 
                 1.00 
                 32.08 
                 N 
               
               
                 ATOM 
                 1173 
                 CA 
                 LYS 
                 A 
                 1793 
                 −2.735 
                 47.881 
                 46.379 
                 1.00 
                 33.72 
                 C 
               
               
                 ATOM 
                 1174 
                 C 
                 LYS 
                 A 
                 1793 
                 −4.101 
                 48.496 
                 46.676 
                 1.00 
                 34.33 
                 C 
               
               
                 ATOM 
                 1175 
                 O 
                 LYS 
                 A 
                 1793 
                 −5.025 
                 47.763 
                 47.014 
                 1.00 
                 35.08 
                 O 
               
               
                 ATOM 
                 1176 
                 CB 
                 LYS 
                 A 
                 1793 
                 −1.907 
                 47.782 
                 47.669 
                 1.00 
                 34.32 
                 C 
               
               
                 ATOM 
                 1177 
                 CG 
                 LYS 
                 A 
                 1793 
                 −0.664 
                 46.915 
                 47.555 
                 1.00 
                 36.55 
                 C 
               
               
                 ATOM 
                 1178 
                 CD 
                 LYS 
                 A 
                 1793 
                 −1.003 
                 45.423 
                 47.603 
                 1.00 
                 40.35 
                 C 
               
               
                 ATOM 
                 1179 
                 CE 
                 LYS 
                 A 
                 1793 
                 0.256 
                 44.557 
                 47.500 
                 1.00 
                 42.72 
                 C 
               
               
                 ATOM 
                 1180 
                 NZ 
                 LYS 
                 A 
                 1793 
                 1.199 
                 44.732 
                 48.633 
                 1.00 
                 44.75 
                 N 
               
               
                 ATOM 
                 1181 
                 N 
                 GLU 
                 A 
                 1794 
                 −4.241 
                 49.819 
                 46.575 
                 1.00 
                 34.78 
                 N 
               
               
                 ATOM 
                 1182 
                 CA 
                 GLU 
                 A 
                 1794 
                 −5.551 
                 50.454 
                 46.822 
                 1.00 
                 35.65 
                 C 
               
               
                 ATOM 
                 1183 
                 C 
                 GLU 
                 A 
                 1794 
                 −6.058 
                 51.230 
                 45.606 
                 1.00 
                 34.89 
                 C 
               
               
                 ATOM 
                 1184 
                 O 
                 GLU 
                 A 
                 1794 
                 −5.267 
                 51.766 
                 44.832 
                 1.00 
                 34.81 
                 O 
               
               
                 ATOM 
                 1185 
                 CB 
                 GLU 
                 A 
                 1794 
                 −5.500 
                 51.404 
                 48.031 
                 1.00 
                 36.31 
                 C 
               
               
                 ATOM 
                 1186 
                 CG 
                 GLU 
                 A 
                 1794 
                 −4.507 
                 51.007 
                 49.112 
                 1.00 
                 40.43 
                 C 
               
               
                 ATOM 
                 1187 
                 CD 
                 GLU 
                 A 
                 1794 
                 −4.908 
                 51.476 
                 50.498 
                 1.00 
                 46.67 
                 C 
               
               
                 ATOM 
                 1188 
                 OE1 
                 GLU 
                 A 
                 1794 
                 −6.117 
                 51.717 
                 50.739 
                 1.00 
                 49.99 
                 O 
               
               
                 ATOM 
                 1189 
                 OE2 
                 GLU 
                 A 
                 1794 
                 −4.009 
                 51.585 
                 51.363 
                 1.00 
                 50.69 
                 O 
               
               
                 ATOM 
                 1190 
                 N 
                 LEU 
                 A 
                 1795 
                 −7.379 
                 51.282 
                 45.436 
                 1.00 
                 34.55 
                 N 
               
               
                 ATOM 
                 1191 
                 CA 
                 LEU 
                 A 
                 1795 
                 −7.967 
                 52.058 
                 44.341 
                 1.00 
                 34.48 
                 C 
               
               
                 ATOM 
                 1192 
                 C 
                 LEU 
                 A 
                 1795 
                 −7.456 
                 53.514 
                 44.319 
                 1.00 
                 34.20 
                 C 
               
               
                 ATOM 
                 1193 
                 O 
                 LEU 
                 A 
                 1795 
                 −7.067 
                 54.025 
                 43.275 
                 1.00 
                 34.82 
                 O 
               
               
                 ATOM 
                 1194 
                 CB 
                 LEU 
                 A 
                 1795 
                 −9.496 
                 52.035 
                 44.407 
                 1.00 
                 34.12 
                 C 
               
               
                 ATOM 
                 1195 
                 CG 
                 LEU 
                 A 
                 1795 
                 −10.092 
                 50.631 
                 44.290 
                 1.00 
                 34.35 
                 C 
               
               
                 ATOM 
                 1196 
                 CD1 
                 LEU 
                 A 
                 1795 
                 −11.634 
                 50.609 
                 44.319 
                 1.00 
                 34.41 
                 C 
               
               
                 ATOM 
                 1197 
                 CD2 
                 LEU 
                 A 
                 1795 
                 −9.568 
                 49.911 
                 43.045 
                 1.00 
                 33.04 
                 C 
               
               
                 ATOM 
                 1198 
                 N 
                 SER 
                 A 
                 1796 
                 −7.451 
                 54.170 
                 45.473 
                 1.00 
                 33.85 
                 N 
               
               
                 ATOM 
                 1199 
                 CA 
                 SER 
                 A 
                 1796 
                 −7.001 
                 55.556 
                 45.569 
                 1.00 
                 33.64 
                 C 
               
               
                 ATOM 
                 1200 
                 C 
                 SER 
                 A 
                 1796 
                 −5.520 
                 55.749 
                 45.220 
                 1.00 
                 33.01 
                 C 
               
               
                 ATOM 
                 1201 
                 O 
                 SER 
                 A 
                 1796 
                 −5.047 
                 56.882 
                 45.132 
                 1.00 
                 33.00 
                 O 
               
               
                 ATOM 
                 1202 
                 CB 
                 SER 
                 A 
                 1796 
                 −7.258 
                 56.091 
                 46.982 
                 1.00 
                 33.48 
                 C 
               
               
                 ATOM 
                 1203 
                 OG 
                 SER 
                 A 
                 1796 
                 −6.701 
                 55.215 
                 47.955 
                 1.00 
                 34.78 
                 O 
               
               
                 ATOM 
                 1204 
                 N 
                 SER 
                 A 
                 1797 
                 −4.797 
                 54.651 
                 45.007 
                 1.00 
                 32.29 
                 N 
               
               
                 ATOM 
                 1205 
                 CA 
                 SER 
                 A 
                 1797 
                 −3.349 
                 54.710 
                 44.783 
                 1.00 
                 31.84 
                 C 
               
               
                 ATOM 
                 1206 
                 C 
                 SER 
                 A 
                 1797 
                 −2.869 
                 54.603 
                 43.337 
                 1.00 
                 30.36 
                 C 
               
               
                 ATOM 
                 1207 
                 O 
                 SER 
                 A 
                 1797 
                 −1.666 
                 54.496 
                 43.095 
                 1.00 
                 30.34 
                 O 
               
               
                 ATOM 
                 1208 
                 CB 
                 SER 
                 A 
                 1797 
                 −2.643 
                 53.634 
                 45.610 
                 1.00 
                 32.61 
                 C 
               
               
                 ATOM 
                 1209 
                 OG 
                 SER 
                 A 
                 1797 
                 −2.594 
                 53.987 
                 46.976 
                 1.00 
                 35.22 
                 O 
               
               
                 ATOM 
                 1210 
                 N 
                 PHE 
                 A 
                 1798 
                 −3.787 
                 54.584 
                 42.382 
                 1.00 
                 29.13 
                 N 
               
               
                 ATOM 
                 1211 
                 CA 
                 PHE 
                 A 
                 1798 
                 −3.377 
                 54.544 
                 40.981 
                 1.00 
                 28.27 
                 C 
               
               
                 ATOM 
                 1212 
                 C 
                 PHE 
                 A 
                 1798 
                 −2.633 
                 55.840 
                 40.680 
                 1.00 
                 27.54 
                 C 
               
               
                 ATOM 
                 1213 
                 O 
                 PHE 
                 A 
                 1798 
                 −3.023 
                 56.917 
                 41.142 
                 1.00 
                 26.96 
                 O 
               
               
                 ATOM 
                 1214 
                 CB 
                 PHE 
                 A 
                 1798 
                 −4.591 
                 54.468 
                 40.047 
                 1.00 
                 27.93 
                 C 
               
               
                 ATOM 
                 1215 
                 CG 
                 PHE 
                 A 
                 1798 
                 −5.142 
                 53.089 
                 39.864 
                 1.00 
                 28.24 
                 C 
               
               
                 ATOM 
                 1216 
                 CD1 
                 PHE 
                 A 
                 1798 
                 −6.488 
                 52.829 
                 40.113 
                 1.00 
                 28.79 
                 C 
               
               
                 ATOM 
                 1217 
                 CD2 
                 PHE 
                 A 
                 1798 
                 −4.327 
                 52.048 
                 39.430 
                 1.00 
                 28.00 
                 C 
               
               
                 ATOM 
                 1218 
                 CE1 
                 PHE 
                 A 
                 1798 
                 −7.017 
                 51.554 
                 39.924 
                 1.00 
                 28.17 
                 C 
               
               
                 ATOM 
                 1219 
                 CE2 
                 PHE 
                 A 
                 1798 
                 −4.850 
                 50.775 
                 39.238 
                 1.00 
                 28.78 
                 C 
               
               
                 ATOM 
                 1220 
                 CZ 
                 PHE 
                 A 
                 1798 
                 −6.194 
                 50.525 
                 39.494 
                 1.00 
                 28.31 
                 C 
               
               
                 ATOM 
                 1221 
                 N 
                 THR 
                 A 
                 1799 
                 −1.560 
                 55.726 
                 39.909 
                 1.00 
                 26.11 
                 N 
               
               
                 ATOM 
                 1222 
                 CA 
                 THR 
                 A 
                 1799 
                 −0.850 
                 56.889 
                 39.435 
                 1.00 
                 25.21 
                 C 
               
               
                 ATOM 
                 1223 
                 C 
                 THR 
                 A 
                 1799 
                 −1.724 
                 57.611 
                 38.436 
                 1.00 
                 24.62 
                 C 
               
               
                 ATOM 
                 1224 
                 O 
                 THR 
                 A 
                 1799 
                 −2.408 
                 56.974 
                 37.639 
                 1.00 
                 24.51 
                 O 
               
               
                 ATOM 
                 1225 
                 CB 
                 THR 
                 A 
                 1799 
                 0.388 
                 56.432 
                 38.701 
                 1.00 
                 25.30 
                 C 
               
               
                 ATOM 
                 1226 
                 OG1 
                 THR 
                 A 
                 1799 
                 1.172 
                 55.607 
                 39.573 
                 1.00 
                 24.19 
                 O 
               
               
                 ATOM 
                 1227 
                 CG2 
                 THR 
                 A 
                 1799 
                 1.275 
                 57.623 
                 38.340 
                 1.00 
                 26.71 
                 C 
               
               
                 ATOM 
                 1228 
                 N 
                 LEU 
                 A 
                 1800 
                 −1.683 
                 58.935 
                 38.438 
                 1.00 
                 23.91 
                 N 
               
               
                 ATOM 
                 1229 
                 CA 
                 LEU 
                 A 
                 1800 
                 −2.497 
                 59.685 
                 37.475 
                 1.00 
                 24.00 
                 C 
               
               
                 ATOM 
                 1230 
                 C 
                 LEU 
                 A 
                 1800 
                 −1.670 
                 60.194 
                 36.303 
                 1.00 
                 23.62 
                 C 
               
               
                 ATOM 
                 1231 
                 O 
                 LEU 
                 A 
                 1800 
                 −0.476 
                 60.390 
                 36.425 
                 1.00 
                 23.32 
                 O 
               
               
                 ATOM 
                 1232 
                 CB 
                 LEU 
                 A 
                 1800 
                 −3.176 
                 60.875 
                 38.168 
                 1.00 
                 23.94 
                 C 
               
               
                 ATOM 
                 1233 
                 CG 
                 LEU 
                 A 
                 1800 
                 −4.104 
                 60.525 
                 39.327 
                 1.00 
                 25.45 
                 C 
               
               
                 ATOM 
                 1234 
                 CD1 
                 LEU 
                 A 
                 1800 
                 −4.663 
                 61.829 
                 39.955 
                 1.00 
                 28.64 
                 C 
               
               
                 ATOM 
                 1235 
                 CD2 
                 LEU 
                 A 
                 1800 
                 −5.234 
                 59.638 
                 38.820 
                 1.00 
                 26.80 
                 C 
               
               
                 ATOM 
                 1236 
                 N 
                 GLY 
                 A 
                 1801 
                 −2.314 
                 60.437 
                 35.168 
                 1.00 
                 23.19 
                 N 
               
               
                 ATOM 
                 1237 
                 CA 
                 GLY 
                 A 
                 1801 
                 −1.583 
                 60.954 
                 34.032 
                 1.00 
                 25.22 
                 C 
               
               
                 ATOM 
                 1238 
                 C 
                 GLY 
                 A 
                 1801 
                 −2.114 
                 60.320 
                 32.769 
                 1.00 
                 25.49 
                 C 
               
               
                 ATOM 
                 1239 
                 O 
                 GLY 
                 A 
                 1801 
                 −2.629 
                 59.212 
                 32.788 
                 1.00 
                 26.11 
                 O 
               
               
                 ATOM 
                 1240 
                 N 
                 THR 
                 A 
                 1802 
                 −2.058 
                 61.079 
                 31.681 
                 1.00 
                 26.23 
                 N 
               
               
                 ATOM 
                 1241 
                 CA 
                 THR 
                 A 
                 1802 
                 −2.548 
                 60.612 
                 30.398 
                 1.00 
                 26.84 
                 C 
               
               
                 ATOM 
                 1242 
                 C 
                 THR 
                 A 
                 1802 
                 −1.744 
                 59.425 
                 29.910 
                 1.00 
                 27.25 
                 C 
               
               
                 ATOM 
                 1243 
                 O 
                 THR 
                 A 
                 1802 
                 −2.208 
                 58.689 
                 29.055 
                 1.00 
                 28.30 
                 O 
               
               
                 ATOM 
                 1244 
                 CB 
                 THR 
                 A 
                 1802 
                 −2.467 
                 61.743 
                 29.352 
                 1.00 
                 27.62 
                 C 
               
               
                 ATOM 
                 1245 
                 OG1 
                 THR 
                 A 
                 1802 
                 −1.089 
                 61.967 
                 28.999 
                 1.00 
                 28.27 
                 O 
               
               
                 ATOM 
                 1246 
                 CG2 
                 THR 
                 A 
                 1802 
                 −2.883 
                 63.061 
                 29.977 
                 1.00 
                 25.34 
                 C 
               
               
                 ATOM 
                 1247 
                 N 
                 GLY 
                 A 
                 1803 
                 −0.545 
                 59.229 
                 30.446 
                 1.00 
                 27.35 
                 N 
               
               
                 ATOM 
                 1248 
                 CA 
                 GLY 
                 A 
                 1803 
                 0.317 
                 58.148 
                 30.007 
                 1.00 
                 28.09 
                 C 
               
               
                 ATOM 
                 1249 
                 C 
                 GLY 
                 A 
                 1803 
                 0.191 
                 56.888 
                 30.834 
                 1.00 
                 27.92 
                 C 
               
               
                 ATOM 
                 1250 
                 O 
                 GLY 
                 A 
                 1803 
                 0.850 
                 55.874 
                 30.567 
                 1.00 
                 28.48 
                 O 
               
               
                 ATOM 
                 1251 
                 N 
                 VAL 
                 A 
                 1804 
                 −0.658 
                 56.955 
                 31.852 
                 1.00 
                 27.70 
                 N 
               
               
                 ATOM 
                 1252 
                 CA 
                 VAL 
                 A 
                 1804 
                 −0.867 
                 55.827 
                 32.741 
                 1.00 
                 27.47 
                 C 
               
               
                 ATOM 
                 1253 
                 C 
                 VAL 
                 A 
                 1804 
                 −2.065 
                 55.016 
                 32.288 
                 1.00 
                 27.67 
                 C 
               
               
                 ATOM 
                 1254 
                 O 
                 VAL 
                 A 
                 1804 
                 −3.061 
                 55.587 
                 31.808 
                 1.00 
                 27.02 
                 O 
               
               
                 ATOM 
                 1255 
                 CB 
                 VAL 
                 A 
                 1804 
                 −1.120 
                 56.308 
                 34.169 
                 1.00 
                 27.03 
                 C 
               
               
                 ATOM 
                 1256 
                 CG1 
                 VAL 
                 A 
                 1804 
                 −1.325 
                 55.108 
                 35.098 
                 1.00 
                 28.08 
                 C 
               
               
                 ATOM 
                 1257 
                 CG2 
                 VAL 
                 A 
                 1804 
                 0.052 
                 57.178 
                 34.650 
                 1.00 
                 27.40 
                 C 
               
               
                 ATOM 
                 1258 
                 N 
                 HIS 
                 A 
                 1805 
                 −1.960 
                 53.690 
                 32.434 
                 1.00 
                 26.47 
                 N 
               
               
                 ATOM 
                 1259 
                 CA 
                 HIS 
                 A 
                 1805 
                 −3.069 
                 52.823 
                 32.090 
                 1.00 
                 27.22 
                 C 
               
               
                 ATOM 
                 1260 
                 C 
                 HIS 
                 A 
                 1805 
                 −3.413 
                 51.972 
                 33.303 
                 1.00 
                 26.98 
                 C 
               
               
                 ATOM 
                 1261 
                 O 
                 HIS 
                 A 
                 1805 
                 −2.804 
                 50.919 
                 33.522 
                 1.00 
                 27.22 
                 O 
               
               
                 ATOM 
                 1262 
                 CB 
                 HIS 
                 A 
                 1805 
                 −2.675 
                 51.931 
                 30.906 
                 1.00 
                 27.66 
                 C 
               
               
                 ATOM 
                 1263 
                 CG 
                 HIS 
                 A 
                 1805 
                 −2.300 
                 52.702 
                 29.677 
                 1.00 
                 30.66 
                 C 
               
               
                 ATOM 
                 1264 
                 ND1 
                 HIS 
                 A 
                 1805 
                 −1.015 
                 53.135 
                 29.433 
                 1.00 
                 33.02 
                 N 
               
               
                 ATOM 
                 1265 
                 CD2 
                 HIS 
                 A 
                 1805 
                 −3.052 
                 53.155 
                 28.647 
                 1.00 
                 32.98 
                 C 
               
               
                 ATOM 
                 1266 
                 CE1 
                 HIS 
                 A 
                 1805 
                 −0.990 
                 53.808 
                 28.295 
                 1.00 
                 34.99 
                 C 
               
               
                 ATOM 
                 1267 
                 NE2 
                 HIS 
                 A 
                 1805 
                 −2.213 
                 53.839 
                 27.801 
                 1.00 
                 33.22 
                 N 
               
               
                 ATOM 
                 1268 
                 N 
                 PRO 
                 A 
                 1806 
                 −4.364 
                 52.431 
                 34.106 
                 1.00 
                 27.41 
                 N 
               
               
                 ATOM 
                 1269 
                 CA 
                 PRO 
                 A 
                 1806 
                 −4.797 
                 51.696 
                 35.297 
                 1.00 
                 27.21 
                 C 
               
               
                 ATOM 
                 1270 
                 C 
                 PRO 
                 A 
                 1806 
                 −5.858 
                 50.685 
                 34.919 
                 1.00 
                 26.94 
                 C 
               
               
                 ATOM 
                 1271 
                 O 
                 PRO 
                 A 
                 1806 
                 −6.607 
                 50.909 
                 33.976 
                 1.00 
                 26.42 
                 O 
               
               
                 ATOM 
                 1272 
                 CB 
                 PRO 
                 A 
                 1806 
                 −5.410 
                 52.787 
                 36.169 
                 1.00 
                 27.64 
                 C 
               
               
                 ATOM 
                 1273 
                 CG 
                 PRO 
                 A 
                 1806 
                 −5.967 
                 53.792 
                 35.167 
                 1.00 
                 27.46 
                 C 
               
               
                 ATOM 
                 1274 
                 CD 
                 PRO 
                 A 
                 1806 
                 −5.092 
                 53.711 
                 33.947 
                 1.00 
                 28.06 
                 C 
               
               
                 ATOM 
                 1275 
                 N 
                 ILE 
                 A 
                 1807 
                 −5.886 
                 49.559 
                 35.617 
                 1.00 
                 26.23 
                 N 
               
               
                 ATOM 
                 1276 
                 CA 
                 ILE 
                 A 
                 1807 
                 −6.886 
                 48.527 
                 35.358 
                 1.00 
                 26.34 
                 C 
               
               
                 ATOM 
                 1277 
                 C 
                 ILE 
                 A 
                 1807 
                 −7.214 
                 47.876 
                 36.675 
                 1.00 
                 25.82 
                 C 
               
               
                 ATOM 
                 1278 
                 O 
                 ILE 
                 A 
                 1807 
                 −6.318 
                 47.535 
                 37.437 
                 1.00 
                 26.03 
                 O 
               
               
                 ATOM 
                 1279 
                 CB 
                 ILE 
                 A 
                 1807 
                 −6.350 
                 47.434 
                 34.411 
                 1.00 
                 26.45 
                 C 
               
               
                 ATOM 
                 1280 
                 CG1 
                 ILE 
                 A 
                 1807 
                 −5.870 
                 48.039 
                 33.090 
                 1.00 
                 27.84 
                 C 
               
               
                 ATOM 
                 1281 
                 CG2 
                 ILE 
                 A 
                 1807 
                 −7.435 
                 46.373 
                 34.164 
                 1.00 
                 26.41 
                 C 
               
               
                 ATOM 
                 1282 
                 CD1 
                 ILE 
                 A 
                 1807 
                 −5.146 
                 47.047 
                 32.202 
                 1.00 
                 30.14 
                 C 
               
               
                 ATOM 
                 1283 
                 N 
                 VAL 
                 A 
                 1808 
                 −8.494 
                 47.710 
                 36.949 
                 1.00 
                 25.46 
                 N 
               
               
                 ATOM 
                 1284 
                 CA 
                 VAL 
                 A 
                 1808 
                 −8.921 
                 47.035 
                 38.156 
                 1.00 
                 25.00 
                 C 
               
               
                 ATOM 
                 1285 
                 C 
                 VAL 
                 A 
                 1808 
                 −9.364 
                 45.636 
                 37.775 
                 1.00 
                 24.67 
                 C 
               
               
                 ATOM 
                 1286 
                 O 
                 VAL 
                 A 
                 1808 
                 −10.184 
                 45.449 
                 36.864 
                 1.00 
                 24.19 
                 O 
               
               
                 ATOM 
                 1287 
                 CB 
                 VAL 
                 A 
                 1808 
                 −10.085 
                 47.765 
                 38.830 
                 1.00 
                 25.12 
                 C 
               
               
                 ATOM 
                 1288 
                 CG1 
                 VAL 
                 A 
                 1808 
                 −10.517 
                 47.022 
                 40.109 
                 1.00 
                 24.18 
                 C 
               
               
                 ATOM 
                 1289 
                 CG2 
                 VAL 
                 A 
                 1808 
                 −9.692 
                 49.214 
                 39.121 
                 1.00 
                 25.14 
                 C 
               
               
                 ATOM 
                 1290 
                 N 
                 VAL 
                 A 
                 1809 
                 −8.785 
                 44.647 
                 38.440 
                 1.00 
                 24.13 
                 N 
               
               
                 ATOM 
                 1291 
                 CA 
                 VAL 
                 A 
                 1809 
                 −9.157 
                 43.267 
                 38.201 
                 1.00 
                 24.25 
                 C 
               
               
                 ATOM 
                 1292 
                 C 
                 VAL 
                 A 
                 1809 
                 −9.965 
                 42.697 
                 39.381 
                 1.00 
                 24.70 
                 C 
               
               
                 ATOM 
                 1293 
                 O 
                 VAL 
                 A 
                 1809 
                 −9.548 
                 42.788 
                 40.544 
                 1.00 
                 25.01 
                 O 
               
               
                 ATOM 
                 1294 
                 CB 
                 VAL 
                 A 
                 1809 
                 −7.905 
                 42.393 
                 37.933 
                 1.00 
                 24.82 
                 C 
               
               
                 ATOM 
                 1295 
                 CG1 
                 VAL 
                 A 
                 1809 
                 −8.283 
                 40.922 
                 37.783 
                 1.00 
                 23.99 
                 C 
               
               
                 ATOM 
                 1296 
                 CG2 
                 VAL 
                 A 
                 1809 
                 −7.173 
                 42.872 
                 36.670 
                 1.00 
                 22.98 
                 C 
               
               
                 ATOM 
                 1297 
                 N 
                 VAL 
                 A 
                 1810 
                 −11.108 
                 42.091 
                 39.068 
                 1.00 
                 25.04 
                 N 
               
               
                 ATOM 
                 1298 
                 CA 
                 VAL 
                 A 
                 1810 
                 −11.971 
                 41.467 
                 40.068 
                 1.00 
                 25.87 
                 C 
               
               
                 ATOM 
                 1299 
                 C 
                 VAL 
                 A 
                 1810 
                 −12.497 
                 40.127 
                 39.563 
                 1.00 
                 26.59 
                 C 
               
               
                 ATOM 
                 1300 
                 O 
                 VAL 
                 A 
                 1810 
                 −12.390 
                 39.811 
                 38.366 
                 1.00 
                 26.21 
                 O 
               
               
                 ATOM 
                 1301 
                 CB 
                 VAL 
                 A 
                 1810 
                 −13.208 
                 42.337 
                 40.406 
                 1.00 
                 25.71 
                 C 
               
               
                 ATOM 
                 1302 
                 CG1 
                 VAL 
                 A 
                 1810 
                 −12.789 
                 43.700 
                 40.838 
                 1.00 
                 25.83 
                 C 
               
               
                 ATOM 
                 1303 
                 CG2 
                 VAL 
                 A 
                 1810 
                 −14.110 
                 42.434 
                 39.204 
                 1.00 
                 27.95 
                 C 
               
               
                 ATOM 
                 1304 
                 N 
                 GLN 
                 A 
                 1811 
                 −13.042 
                 39.337 
                 40.488 
                 1.00 
                 26.75 
                 N 
               
               
                 ATOM 
                 1305 
                 CA 
                 GLN 
                 A 
                 1811 
                 −13.658 
                 38.056 
                 40.160 
                 1.00 
                 28.19 
                 C 
               
               
                 ATOM 
                 1306 
                 C 
                 GLN 
                 A 
                 1811 
                 −15.092 
                 38.105 
                 40.680 
                 1.00 
                 29.04 
                 C 
               
               
                 ATOM 
                 1307 
                 O 
                 GLN 
                 A 
                 1811 
                 −15.350 
                 37.813 
                 41.849 
                 1.00 
                 28.88 
                 O 
               
               
                 ATOM 
                 1308 
                 CB 
                 GLN 
                 A 
                 1811 
                 −12.896 
                 36.913 
                 40.834 
                 1.00 
                 27.91 
                 C 
               
               
                 ATOM 
                 1309 
                 CG 
                 GLN 
                 A 
                 1811 
                 −13.440 
                 35.522 
                 40.535 
                 1.00 
                 26.85 
                 C 
               
               
                 ATOM 
                 1310 
                 CD 
                 GLN 
                 A 
                 1811 
                 −12.854 
                 34.485 
                 41.485 
                 1.00 
                 27.47 
                 C 
               
               
                 ATOM 
                 1311 
                 OE1 
                 GLN 
                 A 
                 1811 
                 −11.860 
                 34.757 
                 42.156 
                 1.00 
                 25.51 
                 O 
               
               
                 ATOM 
                 1312 
                 NE2 
                 GLN 
                 A 
                 1811 
                 −13.458 
                 33.312 
                 41.539 
                 1.00 
                 25.63 
                 N 
               
               
                 ATOM 
                 1313 
                 N 
                 PRO 
                 A 
                 1812 
                 −16.022 
                 38.501 
                 39.818 
                 1.00 
                 30.07 
                 N 
               
               
                 ATOM 
                 1314 
                 CA 
                 PRO 
                 A 
                 1812 
                 −17.416 
                 38.692 
                 40.224 
                 1.00 
                 31.43 
                 C 
               
               
                 ATOM 
                 1315 
                 C 
                 PRO 
                 A 
                 1812 
                 −17.999 
                 37.514 
                 40.991 
                 1.00 
                 32.81 
                 C 
               
               
                 ATOM 
                 1316 
                 O 
                 PRO 
                 A 
                 1812 
                 −18.689 
                 37.768 
                 41.967 
                 1.00 
                 33.02 
                 O 
               
               
                 ATOM 
                 1317 
                 CB 
                 PRO 
                 A 
                 1812 
                 −18.153 
                 38.900 
                 38.885 
                 1.00 
                 31.51 
                 C 
               
               
                 ATOM 
                 1318 
                 CG 
                 PRO 
                 A 
                 1812 
                 −17.111 
                 39.486 
                 37.985 
                 1.00 
                 30.64 
                 C 
               
               
                 ATOM 
                 1319 
                 CD 
                 PRO 
                 A 
                 1812 
                 −15.808 
                 38.797 
                 38.395 
                 1.00 
                 30.23 
                 C 
               
               
                 ATOM 
                 1320 
                 N 
                 ASP 
                 A 
                 1813 
                 −17.732 
                 36.275 
                 40.587 
                 1.00 
                 34.65 
                 N 
               
               
                 ATOM 
                 1321 
                 CA 
                 ASP 
                 A 
                 1813 
                 −18.266 
                 35.115 
                 41.314 
                 1.00 
                 37.52 
                 C 
               
               
                 ATOM 
                 1322 
                 C 
                 ASP 
                 A 
                 1813 
                 −17.906 
                 35.103 
                 42.795 
                 1.00 
                 38.34 
                 C 
               
               
                 ATOM 
                 1323 
                 O 
                 ASP 
                 A 
                 1813 
                 −18.681 
                 34.615 
                 43.621 
                 1.00 
                 38.74 
                 O 
               
               
                 ATOM 
                 1324 
                 CB 
                 ASP 
                 A 
                 1813 
                 −17.768 
                 33.795 
                 40.711 
                 1.00 
                 38.37 
                 C 
               
               
                 ATOM 
                 1325 
                 CG 
                 ASP 
                 A 
                 1813 
                 −18.495 
                 33.417 
                 39.460 
                 1.00 
                 41.51 
                 C 
               
               
                 ATOM 
                 1326 
                 OD1 
                 ASP 
                 A 
                 1813 
                 −19.430 
                 34.150 
                 39.052 
                 1.00 
                 46.44 
                 O 
               
               
                 ATOM 
                 1327 
                 OD2 
                 ASP 
                 A 
                 1813 
                 −18.197 
                 32.396 
                 38.809 
                 1.00 
                 46.11 
                 O 
               
               
                 ATOM 
                 1328 
                 N 
                 ALA 
                 A 
                 1814 
                 −16.727 
                 35.633 
                 43.120 
                 1.00 
                 39.38 
                 N 
               
               
                 ATOM 
                 1329 
                 CA 
                 ALA 
                 A 
                 1814 
                 −16.216 
                 35.648 
                 44.485 
                 1.00 
                 40.56 
                 C 
               
               
                 ATOM 
                 1330 
                 C 
                 ALA 
                 A 
                 1814 
                 −17.056 
                 36.514 
                 45.413 
                 1.00 
                 41.84 
                 C 
               
               
                 ATOM 
                 1331 
                 O 
                 ALA 
                 A 
                 1814 
                 −17.077 
                 36.292 
                 46.620 
                 1.00 
                 41.65 
                 O 
               
               
                 ATOM 
                 1332 
                 CB 
                 ALA 
                 A 
                 1814 
                 −14.767 
                 36.106 
                 44.499 
                 1.00 
                 40.28 
                 C 
               
               
                 ATOM 
                 1333 
                 N 
                 TRP 
                 A 
                 1815 
                 −17.734 
                 37.509 
                 44.849 
                 1.00 
                 43.50 
                 N 
               
               
                 ATOM 
                 1334 
                 CA 
                 TRP 
                 A 
                 1815 
                 −18.610 
                 38.368 
                 45.632 
                 1.00 
                 45.71 
                 C 
               
               
                 ATOM 
                 1335 
                 C 
                 TRP 
                 A 
                 1815 
                 −20.000 
                 37.745 
                 45.670 
                 1.00 
                 47.78 
                 C 
               
               
                 ATOM 
                 1336 
                 O 
                 TRP 
                 A 
                 1815 
                 −20.353 
                 36.930 
                 44.810 
                 1.00 
                 48.50 
                 O 
               
               
                 ATOM 
                 1337 
                 CB 
                 TRP 
                 A 
                 1815 
                 −18.749 
                 39.754 
                 44.988 
                 1.00 
                 44.99 
                 C 
               
               
                 ATOM 
                 1338 
                 CG 
                 TRP 
                 A 
                 1815 
                 −17.475 
                 40.465 
                 44.624 
                 1.00 
                 43.59 
                 C 
               
               
                 ATOM 
                 1339 
                 CD1 
                 TRP 
                 A 
                 1815 
                 −16.396 
                 39.948 
                 43.967 
                 1.00 
                 41.97 
                 C 
               
               
                 ATOM 
                 1340 
                 CD2 
                 TRP 
                 A 
                 1815 
                 −17.168 
                 41.847 
                 44.864 
                 1.00 
                 43.30 
                 C 
               
               
                 ATOM 
                 1341 
                 NE1 
                 TRP 
                 A 
                 1815 
                 −15.432 
                 40.915 
                 43.805 
                 1.00 
                 41.30 
                 N 
               
               
                 ATOM 
                 1342 
                 CE2 
                 TRP 
                 A 
                 1815 
                 −15.881 
                 42.090 
                 44.344 
                 1.00 
                 41.67 
                 C 
               
               
                 ATOM 
                 1343 
                 CE3 
                 TRP 
                 A 
                 1815 
                 −17.850 
                 42.903 
                 45.477 
                 1.00 
                 43.55 
                 C 
               
               
                 ATOM 
                 1344 
                 CZ2 
                 TRP 
                 A 
                 1815 
                 −15.263 
                 43.335 
                 44.415 
                 1.00 
                 43.03 
                 C 
               
               
                 ATOM 
                 1345 
                 CZ3 
                 TRP 
                 A 
                 1815 
                 −17.224 
                 44.158 
                 45.547 
                 1.00 
                 44.60 
                 C 
               
               
                 ATOM 
                 1346 
                 CH2 
                 TRP 
                 A 
                 1815 
                 −15.946 
                 44.356 
                 45.017 
                 1.00 
                 43.32 
                 C 
               
               
                 ATOM 
                 1347 
                 N 
                 THR 
                 A 
                 1816 
                 −20.796 
                 38.132 
                 46.659 
                 1.00 
                 50.54 
                 N 
               
               
                 ATOM 
                 1348 
                 CA 
                 THR 
                 A 
                 1816 
                 −22.199 
                 37.721 
                 46.655 
                 1.00 
                 53.50 
                 C 
               
               
                 ATOM 
                 1349 
                 C 
                 THR 
                 A 
                 1816 
                 −23.074 
                 38.657 
                 47.466 
                 1.00 
                 54.65 
                 C 
               
               
                 ATOM 
                 1350 
                 O 
                 THR 
                 A 
                 1816 
                 −22.762 
                 38.981 
                 48.617 
                 1.00 
                 55.39 
                 O 
               
               
                 ATOM 
                 1351 
                 CB 
                 THR 
                 A 
                 1816 
                 −22.398 
                 36.255 
                 47.066 
                 1.00 
                 53.69 
                 C 
               
               
                 ATOM 
                 1352 
                 OG1 
                 THR 
                 A 
                 1816 
                 −21.946 
                 35.405 
                 46.004 
                 1.00 
                 55.36 
                 O 
               
               
                 ATOM 
                 1353 
                 CG2 
                 THR 
                 A 
                 1816 
                 −23.899 
                 35.927 
                 47.141 
                 1.00 
                 54.88 
                 C 
               
               
                 ATOM 
                 1354 
                 N 
                 GLU 
                 A 
                 1817 
                 −24.170 
                 39.085 
                 46.840 
                 1.00 
                 56.17 
                 N 
               
               
                 ATOM 
                 1355 
                 CA 
                 GLU 
                 A 
                 1817 
                 −25.099 
                 40.042 
                 47.432 
                 1.00 
                 57.11 
                 C 
               
               
                 ATOM 
                 1356 
                 C 
                 GLU 
                 A 
                 1817 
                 −24.331 
                 41.344 
                 47.508 
                 1.00 
                 57.59 
                 C 
               
               
                 ATOM 
                 1357 
                 O 
                 GLU 
                 A 
                 1817 
                 −24.725 
                 42.301 
                 48.181 
                 1.00 
                 58.16 
                 O 
               
               
                 ATOM 
                 1358 
                 CB 
                 GLU 
                 A 
                 1817 
                 −25.547 
                 39.586 
                 48.817 
                 1.00 
                 57.35 
                 C 
               
               
                 ATOM 
                 1359 
                 N 
                 ASP 
                 A 
                 1818 
                 −23.211 
                 41.351 
                 46.796 
                 1.00 
                 57.81 
                 N 
               
               
                 ATOM 
                 1360 
                 CA 
                 ASP 
                 A 
                 1818 
                 −22.324 
                 42.498 
                 46.744 
                 1.00 
                 57.64 
                 C 
               
               
                 ATOM 
                 1361 
                 C 
                 ASP 
                 A 
                 1818 
                 −22.179 
                 42.973 
                 45.306 
                 1.00 
                 57.34 
                 C 
               
               
                 ATOM 
                 1362 
                 O 
                 ASP 
                 A 
                 1818 
                 −21.088 
                 42.909 
                 44.731 
                 1.00 
                 57.73 
                 O 
               
               
                 ATOM 
                 1363 
                 CB 
                 ASP 
                 A 
                 1818 
                 −20.965 
                 42.131 
                 47.324 
                 1.00 
                 58.02 
                 C 
               
               
                 ATOM 
                 1364 
                 N 
                 ASN 
                 A 
                 1819 
                 −23.281 
                 43.441 
                 44.723 
                 1.00 
                 56.41 
                 N 
               
               
                 ATOM 
                 1365 
                 CA 
                 ASN 
                 A 
                 1819 
                 −23.259 
                 43.998 
                 43.372 
                 1.00 
                 55.19 
                 C 
               
               
                 ATOM 
                 1366 
                 C 
                 ASN 
                 A 
                 1819 
                 −22.342 
                 45.215 
                 43.412 
                 1.00 
                 54.27 
                 C 
               
               
                 ATOM 
                 1367 
                 O 
                 ASN 
                 A 
                 1819 
                 −22.476 
                 46.161 
                 42.629 
                 1.00 
                 54.46 
                 O 
               
               
                 ATOM 
                 1368 
                 CB 
                 ASN 
                 A 
                 1819 
                 −24.650 
                 44.397 
                 42.941 
                 1.00 
                 55.53 
                 C 
               
               
                 ATOM 
                 1369 
                 N 
                 GLY 
                 A 
                 1820 
                 −21.402 
                 45.158 
                 44.349 
                 1.00 
                 52.76 
                 N 
               
               
                 ATOM 
                 1370 
                 CA 
                 GLY 
                 A 
                 1820 
                 −20.465 
                 46.230 
                 44.593 
                 1.00 
                 50.77 
                 C 
               
               
                 ATOM 
                 1371 
                 C 
                 GLY 
                 A 
                 1820 
                 −19.363 
                 46.312 
                 43.570 
                 1.00 
                 49.40 
                 C 
               
               
                 ATOM 
                 1372 
                 O 
                 GLY 
                 A 
                 1820 
                 −18.653 
                 47.306 
                 43.551 
                 1.00 
                 49.11 
                 O 
               
               
                 ATOM 
                 1373 
                 N 
                 PHE 
                 A 
                 1821 
                 −19.208 
                 45.288 
                 42.730 
                 1.00 
                 48.28 
                 N 
               
               
                 ATOM 
                 1374 
                 CA 
                 PHE 
                 A 
                 1821 
                 −18.168 
                 45.353 
                 41.699 
                 1.00 
                 47.40 
                 C 
               
               
                 ATOM 
                 1375 
                 C 
                 PHE 
                 A 
                 1821 
                 −18.549 
                 46.301 
                 40.563 
                 1.00 
                 46.77 
                 C 
               
               
                 ATOM 
                 1376 
                 O 
                 PHE 
                 A 
                 1821 
                 −17.719 
                 46.637 
                 39.721 
                 1.00 
                 46.49 
                 O 
               
               
                 ATOM 
                 1377 
                 CB 
                 PHE 
                 A 
                 1821 
                 −17.703 
                 43.975 
                 41.190 
                 1.00 
                 47.19 
                 C 
               
               
                 ATOM 
                 1378 
                 CG 
                 PHE 
                 A 
                 1821 
                 −18.806 
                 43.063 
                 40.718 
                 1.00 
                 46.88 
                 C 
               
               
                 ATOM 
                 1379 
                 CD1 
                 PHE 
                 A 
                 1821 
                 −19.226 
                 43.075 
                 39.398 
                 1.00 
                 46.67 
                 C 
               
               
                 ATOM 
                 1380 
                 CD2 
                 PHE 
                 A 
                 1821 
                 −19.378 
                 42.150 
                 41.581 
                 1.00 
                 46.60 
                 C 
               
               
                 ATOM 
                 1381 
                 CE1 
                 PHE 
                 A 
                 1821 
                 −20.223 
                 42.217 
                 38.957 
                 1.00 
                 46.24 
                 C 
               
               
                 ATOM 
                 1382 
                 CE2 
                 PHE 
                 A 
                 1821 
                 −20.377 
                 41.286 
                 41.144 
                 1.00 
                 47.04 
                 C 
               
               
                 ATOM 
                 1383 
                 CZ 
                 PHE 
                 A 
                 1821 
                 −20.798 
                 41.322 
                 39.830 
                 1.00 
                 46.52 
                 C 
               
               
                 ATOM 
                 1384 
                 N 
                 HIS 
                 A 
                 1822 
                 −19.806 
                 46.737 
                 40.564 
                 1.00 
                 46.27 
                 N 
               
               
                 ATOM 
                 1385 
                 CA 
                 HIS 
                 A 
                 1822 
                 −20.294 
                 47.691 
                 39.573 
                 1.00 
                 45.79 
                 C 
               
               
                 ATOM 
                 1386 
                 C 
                 HIS 
                 A 
                 1822 
                 −20.103 
                 49.119 
                 40.075 
                 1.00 
                 45.74 
                 C 
               
               
                 ATOM 
                 1387 
                 O 
                 HIS 
                 A 
                 1822 
                 −20.285 
                 50.078 
                 39.326 
                 1.00 
                 45.39 
                 O 
               
               
                 ATOM 
                 1388 
                 CB 
                 HIS 
                 A 
                 1822 
                 −21.783 
                 47.463 
                 39.284 
                 1.00 
                 45.65 
                 C 
               
               
                 ATOM 
                 1389 
                 CG 
                 HIS 
                 A 
                 1822 
                 −22.080 
                 46.180 
                 38.575 
                 1.00 
                 45.31 
                 C 
               
               
                 ATOM 
                 1390 
                 ND1 
                 HIS 
                 A 
                 1822 
                 −21.830 
                 45.996 
                 37.233 
                 1.00 
                 45.05 
                 N 
               
               
                 ATOM 
                 1391 
                 CD2 
                 HIS 
                 A 
                 1822 
                 −22.609 
                 45.016 
                 39.021 
                 1.00 
                 44.73 
                 C 
               
               
                 ATOM 
                 1392 
                 CE1 
                 HIS 
                 A 
                 1822 
                 −22.191 
                 44.775 
                 36.883 
                 1.00 
                 43.91 
                 C 
               
               
                 ATOM 
                 1393 
                 NE2 
                 HIS 
                 A 
                 1822 
                 −22.667 
                 44.160 
                 37.949 
                 1.00 
                 44.25 
                 N 
               
               
                 ATOM 
                 1394 
                 N 
                 ALA 
                 A 
                 1823 
                 −19.730 
                 49.254 
                 41.343 
                 1.00 
                 45.52 
                 N 
               
               
                 ATOM 
                 1395 
                 CA 
                 ALA 
                 A 
                 1823 
                 −19.566 
                 50.564 
                 41.965 
                 1.00 
                 45.73 
                 C 
               
               
                 ATOM 
                 1396 
                 C 
                 ALA 
                 A 
                 1823 
                 −18.110 
                 50.992 
                 42.155 
                 1.00 
                 45.82 
                 C 
               
               
                 ATOM 
                 1397 
                 O 
                 ALA 
                 A 
                 1823 
                 −17.825 
                 51.958 
                 42.868 
                 1.00 
                 45.86 
                 O 
               
               
                 ATOM 
                 1398 
                 CB 
                 ALA 
                 A 
                 1823 
                 −20.287 
                 50.592 
                 43.296 
                 1.00 
                 45.70 
                 C 
               
               
                 ATOM 
                 1399 
                 N 
                 ILE 
                 A 
                 1824 
                 −17.188 
                 50.276 
                 41.523 
                 1.00 
                 45.79 
                 N 
               
               
                 ATOM 
                 1400 
                 CA 
                 ILE 
                 A 
                 1824 
                 −15.773 
                 50.582 
                 41.662 
                 1.00 
                 45.67 
                 C 
               
               
                 ATOM 
                 1401 
                 C 
                 ILE 
                 A 
                 1824 
                 −15.384 
                 51.862 
                 40.934 
                 1.00 
                 46.07 
                 C 
               
               
                 ATOM 
                 1402 
                 O 
                 ILE 
                 A 
                 1824 
                 −14.558 
                 52.634 
                 41.418 
                 1.00 
                 45.72 
                 O 
               
               
                 ATOM 
                 1403 
                 CB 
                 ILE 
                 A 
                 1824 
                 −14.929 
                 49.395 
                 41.174 
                 1.00 
                 45.63 
                 C 
               
               
                 ATOM 
                 1404 
                 CG1 
                 ILE 
                 A 
                 1824 
                 −15.073 
                 48.222 
                 42.146 
                 1.00 
                 44.55 
                 C 
               
               
                 ATOM 
                 1405 
                 CG2 
                 ILE 
                 A 
                 1824 
                 −13.470 
                 49.799 
                 41.043 
                 1.00 
                 45.22 
                 C 
               
               
                 ATOM 
                 1406 
                 CD1 
                 ILE 
                 A 
                 1824 
                 −14.753 
                 46.890 
                 41.537 
                 1.00 
                 44.07 
                 C 
               
               
                 ATOM 
                 1407 
                 N 
                 GLY 
                 A 
                 1825 
                 −15.992 
                 52.089 
                 39.774 
                 1.00 
                 46.76 
                 N 
               
               
                 ATOM 
                 1408 
                 CA 
                 GLY 
                 A 
                 1825 
                 −15.716 
                 53.285 
                 38.995 
                 1.00 
                 47.76 
                 C 
               
               
                 ATOM 
                 1409 
                 C 
                 GLY 
                 A 
                 1825 
                 −16.014 
                 54.561 
                 39.762 
                 1.00 
                 48.36 
                 C 
               
               
                 ATOM 
                 1410 
                 O 
                 GLY 
                 A 
                 1825 
                 −15.454 
                 55.619 
                 39.475 
                 1.00 
                 48.85 
                 O 
               
               
                 ATOM 
                 1411 
                 N 
                 GLN 
                 A 
                 1826 
                 −16.895 
                 54.466 
                 40.749 
                 1.00 
                 48.91 
                 N 
               
               
                 ATOM 
                 1412 
                 CA 
                 GLN 
                 A 
                 1826 
                 −17.243 
                 55.624 
                 41.566 
                 1.00 
                 49.49 
                 C 
               
               
                 ATOM 
                 1413 
                 C 
                 GLN 
                 A 
                 1826 
                 −16.095 
                 55.971 
                 42.498 
                 1.00 
                 49.02 
                 C 
               
               
                 ATOM 
                 1414 
                 O 
                 GLN 
                 A 
                 1826 
                 −16.036 
                 57.074 
                 43.029 
                 1.00 
                 49.38 
                 O 
               
               
                 ATOM 
                 1415 
                 CB 
                 GLN 
                 A 
                 1826 
                 −18.514 
                 55.357 
                 42.382 
                 1.00 
                 49.97 
                 C 
               
               
                 ATOM 
                 1416 
                 CG 
                 GLN 
                 A 
                 1826 
                 −19.808 
                 55.529 
                 41.598 
                 1.00 
                 51.43 
                 C 
               
               
                 ATOM 
                 1417 
                 CD 
                 GLN 
                 A 
                 1826 
                 −21.046 
                 55.153 
                 42.403 
                 1.00 
                 54.36 
                 C 
               
               
                 ATOM 
                 1418 
                 OE1 
                 GLN 
                 A 
                 1826 
                 −20.961 
                 54.399 
                 43.375 
                 1.00 
                 54.97 
                 O 
               
               
                 ATOM 
                 1419 
                 NE2 
                 GLN 
                 A 
                 1826 
                 −22.198 
                 55.679 
                 41.999 
                 1.00 
                 55.74 
                 N 
               
               
                 ATOM 
                 1420 
                 N 
                 MET 
                 A 
                 1827 
                 −15.181 
                 55.027 
                 42.695 
                 1.00 
                 48.40 
                 N 
               
               
                 ATOM 
                 1421 
                 CA 
                 MET 
                 A 
                 1827 
                 −14.037 
                 55.266 
                 43.562 
                 1.00 
                 47.67 
                 C 
               
               
                 ATOM 
                 1422 
                 C 
                 MET 
                 A 
                 1827 
                 −12.786 
                 55.602 
                 42.761 
                 1.00 
                 46.70 
                 C 
               
               
                 ATOM 
                 1423 
                 O 
                 MET 
                 A 
                 1827 
                 −11.827 
                 56.145 
                 43.306 
                 1.00 
                 47.08 
                 O 
               
               
                 ATOM 
                 1424 
                 CB 
                 MET 
                 A 
                 1827 
                 −13.779 
                 54.061 
                 44.476 
                 1.00 
                 48.21 
                 C 
               
               
                 ATOM 
                 1425 
                 CG 
                 MET 
                 A 
                 1827 
                 −14.996 
                 53.626 
                 45.308 
                 1.00 
                 49.52 
                 C 
               
               
                 ATOM 
                 1426 
                 SD 
                 MET 
                 A 
                 1827 
                 −14.722 
                 52.190 
                 46.386 
                 1.00 
                 53.09 
                 S 
               
               
                 ATOM 
                 1427 
                 CE 
                 MET 
                 A 
                 1827 
                 −13.316 
                 52.736 
                 47.333 
                 1.00 
                 51.51 
                 C 
               
               
                 ATOM 
                 1428 
                 N 
                 CYS 
                 A 
                 1828 
                 −12.784 
                 55.283 
                 41.472 
                 1.00 
                 44.88 
                 N 
               
               
                 ATOM 
                 1429 
                 CA 
                 CYS 
                 A 
                 1828 
                 −11.607 
                 55.549 
                 40.654 
                 1.00 
                 43.41 
                 C 
               
               
                 ATOM 
                 1430 
                 C 
                 CYS 
                 A 
                 1828 
                 −11.936 
                 55.581 
                 39.173 
                 1.00 
                 42.27 
                 C 
               
               
                 ATOM 
                 1431 
                 O 
                 CYS 
                 A 
                 1828 
                 −12.995 
                 55.135 
                 38.760 
                 1.00 
                 42.44 
                 O 
               
               
                 ATOM 
                 1432 
                 CB 
                 CYS 
                 A 
                 1828 
                 −10.526 
                 54.494 
                 40.913 
                 1.00 
                 43.25 
                 C 
               
               
                 ATOM 
                 1433 
                 SG 
                 CYS 
                 A 
                 1828 
                 −10.936 
                 52.881 
                 40.228 
                 1.00 
                 41.86 
                 S 
               
               
                 ATOM 
                 1434 
                 N 
                 GLU 
                 A 
                 1829 
                 −11.012 
                 56.099 
                 38.375 
                 1.00 
                 41.35 
                 N 
               
               
                 ATOM 
                 1435 
                 CA 
                 GLU 
                 A 
                 1829 
                 −11.222 
                 56.159 
                 36.937 
                 1.00 
                 40.53 
                 C 
               
               
                 ATOM 
                 1436 
                 C 
                 GLU 
                 A 
                 1829 
                 −10.322 
                 55.150 
                 36.238 
                 1.00 
                 38.88 
                 C 
               
               
                 ATOM 
                 1437 
                 O 
                 GLU 
                 A 
                 1829 
                 −9.191 
                 55.463 
                 35.880 
                 1.00 
                 38.27 
                 O 
               
               
                 ATOM 
                 1438 
                 CB 
                 GLU 
                 A 
                 1829 
                 −10.960 
                 57.575 
                 36.409 
                 1.00 
                 41.17 
                 C 
               
               
                 ATOM 
                 1439 
                 CG 
                 GLU 
                 A 
                 1829 
                 −12.014 
                 58.066 
                 35.424 
                 1.00 
                 44.69 
                 C 
               
               
                 ATOM 
                 1440 
                 CD 
                 GLU 
                 A 
                 1829 
                 −13.408 
                 58.125 
                 36.030 
                 1.00 
                 48.74 
                 C 
               
               
                 ATOM 
                 1441 
                 OE1 
                 GLU 
                 A 
                 1829 
                 −13.788 
                 59.192 
                 36.582 
                 1.00 
                 50.05 
                 O 
               
               
                 ATOM 
                 1442 
                 OE2 
                 GLU 
                 A 
                 1829 
                 −14.139 
                 57.107 
                 35.949 
                 1.00 
                 52.23 
                 O 
               
               
                 ATOM 
                 1443 
                 N 
                 ALA 
                 A 
                 1830 
                 −10.832 
                 53.935 
                 36.057 
                 1.00 
                 36.81 
                 N 
               
               
                 ATOM 
                 1444 
                 CA 
                 ALA 
                 A 
                 1830 
                 −10.075 
                 52.873 
                 35.405 
                 1.00 
                 35.20 
                 C 
               
               
                 ATOM 
                 1445 
                 C 
                 ALA 
                 A 
                 1830 
                 −11.043 
                 51.817 
                 34.936 
                 1.00 
                 33.76 
                 C 
               
               
                 ATOM 
                 1446 
                 O 
                 ALA 
                 A 
                 1830 
                 −12.043 
                 51.585 
                 35.593 
                 1.00 
                 33.71 
                 O 
               
               
                 ATOM 
                 1447 
                 CB 
                 ALA 
                 A 
                 1830 
                 −9.087 
                 52.253 
                 36.383 
                 1.00 
                 34.53 
                 C 
               
               
                 ATOM 
                 1448 
                 N 
                 PRO 
                 A 
                 1831 
                 −10.739 
                 51.139 
                 33.837 
                 1.00 
                 32.71 
                 N 
               
               
                 ATOM 
                 1449 
                 CA 
                 PRO 
                 A 
                 1831 
                 −11.636 
                 50.086 
                 33.365 
                 1.00 
                 31.65 
                 C 
               
               
                 ATOM 
                 1450 
                 C 
                 PRO 
                 A 
                 1831 
                 −11.636 
                 48.991 
                 34.425 
                 1.00 
                 30.62 
                 C 
               
               
                 ATOM 
                 1451 
                 O 
                 PRO 
                 A 
                 1831 
                 −10.646 
                 48.837 
                 35.143 
                 1.00 
                 30.23 
                 O 
               
               
                 ATOM 
                 1452 
                 CB 
                 PRO 
                 A 
                 1831 
                 −10.972 
                 49.572 
                 32.083 
                 1.00 
                 31.65 
                 C 
               
               
                 ATOM 
                 1453 
                 CG 
                 PRO 
                 A 
                 1831 
                 −9.751 
                 50.394 
                 31.844 
                 1.00 
                 33.18 
                 C 
               
               
                 ATOM 
                 1454 
                 CD 
                 PRO 
                 A 
                 1831 
                 −9.529 
                 51.288 
                 33.013 
                 1.00 
                 32.76 
                 C 
               
               
                 ATOM 
                 1455 
                 N 
                 VAL 
                 A 
                 1832 
                 −12.739 
                 48.267 
                 34.551 
                 1.00 
                 29.96 
                 N 
               
               
                 ATOM 
                 1456 
                 CA 
                 VAL 
                 A 
                 1832 
                 −12.818 
                 47.182 
                 35.512 
                 1.00 
                 28.63 
                 C 
               
               
                 ATOM 
                 1457 
                 C 
                 VAL 
                 A 
                 1832 
                 −13.037 
                 45.900 
                 34.724 
                 1.00 
                 28.14 
                 C 
               
               
                 ATOM 
                 1458 
                 O 
                 VAL 
                 A 
                 1832 
                 −13.941 
                 45.812 
                 33.901 
                 1.00 
                 27.69 
                 O 
               
               
                 ATOM 
                 1459 
                 CB 
                 VAL 
                 A 
                 1832 
                 −13.948 
                 47.404 
                 36.528 
                 1.00 
                 28.72 
                 C 
               
               
                 ATOM 
                 1460 
                 CG1 
                 VAL 
                 A 
                 1832 
                 −14.007 
                 46.244 
                 37.501 
                 1.00 
                 28.25 
                 C 
               
               
                 ATOM 
                 1461 
                 CG2 
                 VAL 
                 A 
                 1832 
                 −13.729 
                 48.702 
                 37.291 
                 1.00 
                 28.99 
                 C 
               
               
                 ATOM 
                 1462 
                 N 
                 VAL 
                 A 
                 1833 
                 −12.189 
                 44.910 
                 34.960 
                 1.00 
                 26.86 
                 N 
               
               
                 ATOM 
                 1463 
                 CA 
                 VAL 
                 A 
                 1833 
                 −12.252 
                 43.685 
                 34.192 
                 1.00 
                 26.03 
                 C 
               
               
                 ATOM 
                 1464 
                 C 
                 VAL 
                 A 
                 1833 
                 −12.229 
                 42.492 
                 35.112 
                 1.00 
                 26.16 
                 C 
               
               
                 ATOM 
                 1465 
                 O 
                 VAL 
                 A 
                 1833 
                 −11.826 
                 42.601 
                 36.285 
                 1.00 
                 25.71 
                 O 
               
               
                 ATOM 
                 1466 
                 CB 
                 VAL 
                 A 
                 1833 
                 −11.054 
                 43.581 
                 33.208 
                 1.00 
                 26.25 
                 C 
               
               
                 ATOM 
                 1467 
                 CG1 
                 VAL 
                 A 
                 1833 
                 −10.997 
                 44.824 
                 32.319 
                 1.00 
                 26.83 
                 C 
               
               
                 ATOM 
                 1468 
                 CG2 
                 VAL 
                 A 
                 1833 
                 −9.746 
                 43.421 
                 33.962 
                 1.00 
                 25.18 
                 C 
               
               
                 ATOM 
                 1469 
                 N 
                 THR 
                 A 
                 1834 
                 −12.648 
                 41.352 
                 34.571 
                 1.00 
                 25.65 
                 N 
               
               
                 ATOM 
                 1470 
                 CA 
                 THR 
                 A 
                 1834 
                 −12.643 
                 40.118 
                 35.330 
                 1.00 
                 25.41 
                 C 
               
               
                 ATOM 
                 1471 
                 C 
                 THR 
                 A 
                 1834 
                 −11.238 
                 39.535 
                 35.366 
                 1.00 
                 24.80 
                 C 
               
               
                 ATOM 
                 1472 
                 O 
                 THR 
                 A 
                 1834 
                 −10.394 
                 39.834 
                 34.528 
                 1.00 
                 23.67 
                 O 
               
               
                 ATOM 
                 1473 
                 CB 
                 THR 
                 A 
                 1834 
                 −13.584 
                 39.050 
                 34.724 
                 1.00 
                 25.08 
                 C 
               
               
                 ATOM 
                 1474 
                 OG1 
                 THR 
                 A 
                 1834 
                 −13.091 
                 38.637 
                 33.441 
                 1.00 
                 25.48 
                 O 
               
               
                 ATOM 
                 1475 
                 CG2 
                 THR 
                 A 
                 1834 
                 −14.990 
                 39.602 
                 34.441 
                 1.00 
                 28.02 
                 C 
               
               
                 ATOM 
                 1476 
                 N 
                 ARG 
                 A 
                 1835 
                 −11.032 
                 38.628 
                 36.307 
                 1.00 
                 24.05 
                 N 
               
               
                 ATOM 
                 1477 
                 CA 
                 ARG 
                 A 
                 1835 
                 −9.751 
                 37.969 
                 36.450 
                 1.00 
                 23.05 
                 C 
               
               
                 ATOM 
                 1478 
                 C 
                 ARG 
                 A 
                 1835 
                 −9.403 
                 37.147 
                 35.202 
                 1.00 
                 22.67 
                 C 
               
               
                 ATOM 
                 1479 
                 O 
                 ARG 
                 A 
                 1835 
                 −8.228 
                 36.913 
                 34.910 
                 1.00 
                 21.59 
                 O 
               
               
                 ATOM 
                 1480 
                 CB 
                 ARG 
                 A 
                 1835 
                 −9.756 
                 37.116 
                 37.726 
                 1.00 
                 22.89 
                 C 
               
               
                 ATOM 
                 1481 
                 CG 
                 ARG 
                 A 
                 1835 
                 −8.406 
                 36.494 
                 38.042 
                 1.00 
                 22.82 
                 C 
               
               
                 ATOM 
                 1482 
                 CD 
                 ARG 
                 A 
                 1835 
                 −8.424 
                 35.599 
                 39.261 
                 1.00 
                 22.87 
                 C 
               
               
                 ATOM 
                 1483 
                 NE 
                 ARG 
                 A 
                 1835 
                 −9.321 
                 34.457 
                 39.089 
                 1.00 
                 25.40 
                 N 
               
               
                 ATOM 
                 1484 
                 CZ 
                 ARG 
                 A 
                 1835 
                 −9.597 
                 33.592 
                 40.052 
                 1.00 
                 26.53 
                 C 
               
               
                 ATOM 
                 1485 
                 NH1 
                 ARG 
                 A 
                 1835 
                 −9.058 
                 33.744 
                 41.259 
                 1.00 
                 27.23 
                 N 
               
               
                 ATOM 
                 1486 
                 NH2 
                 ARG 
                 A 
                 1835 
                 −10.417 
                 32.580 
                 39.815 
                 1.00 
                 26.16 
                 N 
               
               
                 ATOM 
                 1487 
                 N 
                 GLU 
                 A 
                 1836 
                 −10.423 
                 36.756 
                 34.441 
                 1.00 
                 22.79 
                 N 
               
               
                 ATOM 
                 1488 
                 CA 
                 GLU 
                 A 
                 1836 
                 −10.205 
                 36.019 
                 33.195 
                 1.00 
                 23.13 
                 C 
               
               
                 ATOM 
                 1489 
                 C 
                 GLU 
                 A 
                 1836 
                 −9.402 
                 36.833 
                 32.171 
                 1.00 
                 22.88 
                 C 
               
               
                 ATOM 
                 1490 
                 O 
                 GLU 
                 A 
                 1836 
                 −8.769 
                 36.256 
                 31.288 
                 1.00 
                 21.70 
                 O 
               
               
                 ATOM 
                 1491 
                 CB 
                 GLU 
                 A 
                 1836 
                 −11.532 
                 35.565 
                 32.576 
                 1.00 
                 24.07 
                 C 
               
               
                 ATOM 
                 1492 
                 CG 
                 GLU 
                 A 
                 1836 
                 −12.172 
                 34.356 
                 33.248 
                 1.00 
                 24.34 
                 C 
               
               
                 ATOM 
                 1493 
                 CD 
                 GLU 
                 A 
                 1836 
                 −11.223 
                 33.154 
                 33.404 
                 1.00 
                 24.86 
                 C 
               
               
                 ATOM 
                 1494 
                 OE1 
                 GLU 
                 A 
                 1836 
                 −10.656 
                 32.651 
                 32.404 
                 1.00 
                 24.86 
                 O 
               
               
                 ATOM 
                 1495 
                 OE2 
                 GLU 
                 A 
                 1836 
                 −11.052 
                 32.696 
                 34.549 
                 1.00 
                 24.82 
                 O 
               
               
                 ATOM 
                 1496 
                 N 
                 TRP 
                 A 
                 1837 
                 −9.454 
                 38.166 
                 32.266 
                 1.00 
                 23.05 
                 N 
               
               
                 ATOM 
                 1497 
                 CA 
                 TRP 
                 A 
                 1837 
                 −8.649 
                 39.011 
                 31.379 
                 1.00 
                 22.56 
                 C 
               
               
                 ATOM 
                 1498 
                 C 
                 TRP 
                 A 
                 1837 
                 −7.191 
                 38.684 
                 31.664 
                 1.00 
                 22.15 
                 C 
               
               
                 ATOM 
                 1499 
                 O 
                 TRP 
                 A 
                 1837 
                 −6.398 
                 38.493 
                 30.756 
                 1.00 
                 21.97 
                 O 
               
               
                 ATOM 
                 1500 
                 CB 
                 TRP 
                 A 
                 1837 
                 −8.866 
                 40.520 
                 31.577 
                 1.00 
                 22.90 
                 C 
               
               
                 ATOM 
                 1501 
                 CG 
                 TRP 
                 A 
                 1837 
                 −7.804 
                 41.318 
                 30.821 
                 1.00 
                 23.50 
                 C 
               
               
                 ATOM 
                 1502 
                 CD1 
                 TRP 
                 A 
                 1837 
                 −7.695 
                 41.457 
                 29.471 
                 1.00 
                 24.18 
                 C 
               
               
                 ATOM 
                 1503 
                 CD2 
                 TRP 
                 A 
                 1837 
                 −6.681 
                 42.014 
                 31.380 
                 1.00 
                 23.99 
                 C 
               
               
                 ATOM 
                 1504 
                 NE1 
                 TRP 
                 A 
                 1837 
                 −6.581 
                 42.202 
                 29.155 
                 1.00 
                 24.02 
                 N 
               
               
                 ATOM 
                 1505 
                 CE2 
                 TRP 
                 A 
                 1837 
                 −5.948 
                 42.565 
                 30.310 
                 1.00 
                 25.57 
                 C 
               
               
                 ATOM 
                 1506 
                 CE3 
                 TRP 
                 A 
                 1837 
                 −6.234 
                 42.253 
                 32.683 
                 1.00 
                 24.91 
                 C 
               
               
                 ATOM 
                 1507 
                 CZ2 
                 TRP 
                 A 
                 1837 
                 −4.796 
                 43.333 
                 30.500 
                 1.00 
                 24.16 
                 C 
               
               
                 ATOM 
                 1508 
                 CZ3 
                 TRP 
                 A 
                 1837 
                 −5.088 
                 43.009 
                 32.869 
                 1.00 
                 23.43 
                 C 
               
               
                 ATOM 
                 1509 
                 CH2 
                 TRP 
                 A 
                 1837 
                 −4.387 
                 43.544 
                 31.783 
                 1.00 
                 25.83 
                 C 
               
               
                 ATOM 
                 1510 
                 N 
                 VAL 
                 A 
                 1838 
                 −6.837 
                 38.678 
                 32.940 
                 1.00 
                 22.17 
                 N 
               
               
                 ATOM 
                 1511 
                 CA 
                 VAL 
                 A 
                 1838 
                 −5.480 
                 38.277 
                 33.300 
                 1.00 
                 21.29 
                 C 
               
               
                 ATOM 
                 1512 
                 C 
                 VAL 
                 A 
                 1838 
                 −5.183 
                 36.839 
                 32.894 
                 1.00 
                 21.91 
                 C 
               
               
                 ATOM 
                 1513 
                 O 
                 VAL 
                 A 
                 1838 
                 −4.190 
                 36.571 
                 32.202 
                 1.00 
                 21.90 
                 O 
               
               
                 ATOM 
                 1514 
                 CB 
                 VAL 
                 A 
                 1838 
                 −5.204 
                 38.421 
                 34.802 
                 1.00 
                 21.57 
                 C 
               
               
                 ATOM 
                 1515 
                 CG1 
                 VAL 
                 A 
                 1838 
                 −3.828 
                 37.911 
                 35.117 
                 1.00 
                 19.05 
                 C 
               
               
                 ATOM 
                 1516 
                 CG2 
                 VAL 
                 A 
                 1838 
                 −5.381 
                 39.879 
                 35.267 
                 1.00 
                 21.21 
                 C 
               
               
                 ATOM 
                 1517 
                 N 
                 LEU 
                 A 
                 1839 
                 −6.009 
                 35.886 
                 33.329 
                 1.00 
                 21.21 
                 N 
               
               
                 ATOM 
                 1518 
                 CA 
                 LEU 
                 A 
                 1839 
                 −5.729 
                 34.473 
                 33.037 
                 1.00 
                 21.35 
                 C 
               
               
                 ATOM 
                 1519 
                 C 
                 LEU 
                 A 
                 1839 
                 −5.598 
                 34.144 
                 31.540 
                 1.00 
                 21.35 
                 C 
               
               
                 ATOM 
                 1520 
                 O 
                 LEU 
                 A 
                 1839 
                 −4.640 
                 33.487 
                 31.136 
                 1.00 
                 20.77 
                 O 
               
               
                 ATOM 
                 1521 
                 CB 
                 LEU 
                 A 
                 1839 
                 −6.679 
                 33.510 
                 33.778 
                 1.00 
                 21.33 
                 C 
               
               
                 ATOM 
                 1522 
                 CG 
                 LEU 
                 A 
                 1839 
                 −6.766 
                 33.796 
                 35.290 
                 1.00 
                 21.58 
                 C 
               
               
                 ATOM 
                 1523 
                 CD1 
                 LEU 
                 A 
                 1839 
                 −7.698 
                 32.787 
                 35.975 
                 1.00 
                 21.78 
                 C 
               
               
                 ATOM 
                 1524 
                 CD2 
                 LEU 
                 A 
                 1839 
                 −5.377 
                 33.770 
                 35.933 
                 1.00 
                 22.19 
                 C 
               
               
                 ATOM 
                 1525 
                 N 
                 ASP 
                 A 
                 1840 
                 −6.524 
                 34.620 
                 30.709 
                 1.00 
                 21.59 
                 N 
               
               
                 ATOM 
                 1526 
                 CA 
                 ASP 
                 A 
                 1840 
                 −6.397 
                 34.364 
                 29.280 
                 1.00 
                 21.84 
                 C 
               
               
                 ATOM 
                 1527 
                 C 
                 ASP 
                 A 
                 1840 
                 −5.147 
                 35.017 
                 28.690 
                 1.00 
                 22.13 
                 C 
               
               
                 ATOM 
                 1528 
                 O 
                 ASP 
                 A 
                 1840 
                 −4.446 
                 34.414 
                 27.876 
                 1.00 
                 22.50 
                 O 
               
               
                 ATOM 
                 1529 
                 CB 
                 ASP 
                 A 
                 1840 
                 −7.605 
                 34.907 
                 28.528 
                 1.00 
                 23.14 
                 C 
               
               
                 ATOM 
                 1530 
                 CG 
                 ASP 
                 A 
                 1840 
                 −8.875 
                 34.143 
                 28.824 
                 1.00 
                 22.65 
                 C 
               
               
                 ATOM 
                 1531 
                 OD1 
                 ASP 
                 A 
                 1840 
                 −8.815 
                 33.085 
                 29.483 
                 1.00 
                 22.05 
                 O 
               
               
                 ATOM 
                 1532 
                 OD2 
                 ASP 
                 A 
                 1840 
                 −9.997 
                 34.564 
                 28.444 
                 1.00 
                 24.79 
                 O 
               
               
                 ATOM 
                 1533 
                 N 
                 SER 
                 A 
                 1841 
                 −4.878 
                 36.254 
                 29.082 
                 1.00 
                 21.76 
                 N 
               
               
                 ATOM 
                 1534 
                 CA 
                 SER 
                 A 
                 1841 
                 −3.714 
                 36.959 
                 28.554 
                 1.00 
                 21.52 
                 C 
               
               
                 ATOM 
                 1535 
                 C 
                 SER 
                 A 
                 1841 
                 −2.415 
                 36.230 
                 28.858 
                 1.00 
                 21.64 
                 C 
               
               
                 ATOM 
                 1536 
                 O 
                 SER 
                 A 
                 1841 
                 −1.554 
                 36.088 
                 28.008 
                 1.00 
                 21.52 
                 O 
               
               
                 ATOM 
                 1537 
                 CB 
                 SER 
                 A 
                 1841 
                 −3.650 
                 38.381 
                 29.105 
                 1.00 
                 22.07 
                 C 
               
               
                 ATOM 
                 1538 
                 OG 
                 SER 
                 A 
                 1841 
                 −4.682 
                 39.186 
                 28.552 
                 1.00 
                 23.47 
                 O 
               
               
                 ATOM 
                 1539 
                 N 
                 VAL 
                 A 
                 1842 
                 −2.288 
                 35.756 
                 30.084 
                 1.00 
                 20.65 
                 N 
               
               
                 ATOM 
                 1540 
                 CA 
                 VAL 
                 A 
                 1842 
                 −1.084 
                 35.041 
                 30.486 
                 1.00 
                 20.95 
                 C 
               
               
                 ATOM 
                 1541 
                 C 
                 VAL 
                 A 
                 1842 
                 −0.908 
                 33.697 
                 29.736 
                 1.00 
                 21.41 
                 C 
               
               
                 ATOM 
                 1542 
                 O 
                 VAL 
                 A 
                 1842 
                 0.141 
                 33.433 
                 29.151 
                 1.00 
                 22.02 
                 O 
               
               
                 ATOM 
                 1543 
                 CB 
                 VAL 
                 A 
                 1842 
                 −1.080 
                 34.861 
                 32.003 
                 1.00 
                 20.46 
                 C 
               
               
                 ATOM 
                 1544 
                 CG1 
                 VAL 
                 A 
                 1842 
                 −0.040 
                 33.761 
                 32.413 
                 1.00 
                 20.51 
                 C 
               
               
                 ATOM 
                 1545 
                 CG2 
                 VAL 
                 A 
                 1842 
                 −0.827 
                 36.196 
                 32.703 
                 1.00 
                 20.42 
                 C 
               
               
                 ATOM 
                 1546 
                 N 
                 ALA 
                 A 
                 1843 
                 −1.938 
                 32.859 
                 29.725 
                 1.00 
                 21.20 
                 N 
               
               
                 ATOM 
                 1547 
                 CA 
                 ALA 
                 A 
                 1843 
                 −1.867 
                 31.560 
                 29.054 
                 1.00 
                 21.99 
                 C 
               
               
                 ATOM 
                 1548 
                 C 
                 ALA 
                 A 
                 1843 
                 −1.459 
                 31.705 
                 27.595 
                 1.00 
                 22.35 
                 C 
               
               
                 ATOM 
                 1549 
                 O 
                 ALA 
                 A 
                 1843 
                 −0.686 
                 30.909 
                 27.074 
                 1.00 
                 22.74 
                 O 
               
               
                 ATOM 
                 1550 
                 CB 
                 ALA 
                 A 
                 1843 
                 −3.227 
                 30.822 
                 29.140 
                 1.00 
                 20.95 
                 C 
               
               
                 ATOM 
                 1551 
                 N 
                 LEU 
                 A 
                 1844 
                 −2.018 
                 32.702 
                 26.922 
                 1.00 
                 23.32 
                 N 
               
               
                 ATOM 
                 1552 
                 CA 
                 LEU 
                 A 
                 1844 
                 −1.696 
                 32.943 
                 25.510 
                 1.00 
                 23.68 
                 C 
               
               
                 ATOM 
                 1553 
                 C 
                 LEU 
                 A 
                 1844 
                 −0.421 
                 33.759 
                 25.346 
                 1.00 
                 24.51 
                 C 
               
               
                 ATOM 
                 1554 
                 O 
                 LEU 
                 A 
                 1844 
                 0.091 
                 33.894 
                 24.231 
                 1.00 
                 24.87 
                 O 
               
               
                 ATOM 
                 1555 
                 CB 
                 LEU 
                 A 
                 1844 
                 −2.830 
                 33.742 
                 24.871 
                 1.00 
                 23.66 
                 C 
               
               
                 ATOM 
                 1556 
                 CG 
                 LEU 
                 A 
                 1844 
                 −4.200 
                 33.049 
                 24.826 
                 1.00 
                 22.84 
                 C 
               
               
                 ATOM 
                 1557 
                 CD1 
                 LEU 
                 A 
                 1844 
                 −5.296 
                 34.093 
                 24.558 
                 1.00 
                 24.05 
                 C 
               
               
                 ATOM 
                 1558 
                 CD2 
                 LEU 
                 A 
                 1844 
                 −4.178 
                 31.993 
                 23.742 
                 1.00 
                 23.11 
                 C 
               
               
                 ATOM 
                 1559 
                 N 
                 TYR 
                 A 
                 1845 
                 0.068 
                 34.296 
                 26.462 
                 1.00 
                 23.99 
                 N 
               
               
                 ATOM 
                 1560 
                 CA 
                 TYR 
                 A 
                 1845 
                 1.155 
                 35.282 
                 26.493 
                 1.00 
                 24.59 
                 C 
               
               
                 ATOM 
                 1561 
                 C 
                 TYR 
                 A 
                 1845 
                 0.911 
                 36.357 
                 25.427 
                 1.00 
                 25.26 
                 C 
               
               
                 ATOM 
                 1562 
                 O 
                 TYR 
                 A 
                 1845 
                 1.784 
                 36.665 
                 24.610 
                 1.00 
                 25.20 
                 O 
               
               
                 ATOM 
                 1563 
                 CB 
                 TYR 
                 A 
                 1845 
                 2.627 
                 34.733 
                 26.469 
                 1.00 
                 23.49 
                 C 
               
               
                 ATOM 
                 1564 
                 CG 
                 TYR 
                 A 
                 1845 
                 3.497 
                 35.718 
                 27.236 
                 1.00 
                 23.87 
                 C 
               
               
                 ATOM 
                 1565 
                 CD1 
                 TYR 
                 A 
                 1845 
                 3.364 
                 35.843 
                 28.618 
                 1.00 
                 21.67 
                 C 
               
               
                 ATOM 
                 1566 
                 CD2 
                 TYR 
                 A 
                 1845 
                 4.343 
                 36.615 
                 26.575 
                 1.00 
                 22.80 
                 C 
               
               
                 ATOM 
                 1567 
                 CE1 
                 TYR 
                 A 
                 1845 
                 4.080 
                 36.777 
                 29.334 
                 1.00 
                 22.40 
                 C 
               
               
                 ATOM 
                 1568 
                 CE2 
                 TYR 
                 A 
                 1845 
                 5.076 
                 37.555 
                 27.288 
                 1.00 
                 23.19 
                 C 
               
               
                 ATOM 
                 1569 
                 CZ 
                 TYR 
                 A 
                 1845 
                 4.920 
                 37.640 
                 28.664 
                 1.00 
                 22.98 
                 C 
               
               
                 ATOM 
                 1570 
                 OH 
                 TYR 
                 A 
                 1845 
                 5.604 
                 38.573 
                 29.393 
                 1.00 
                 21.63 
                 O 
               
               
                 ATOM 
                 1571 
                 N 
                 GLN 
                 A 
                 1846 
                 −0.280 
                 36.928 
                 25.472 
                 1.00 
                 25.19 
                 N 
               
               
                 ATOM 
                 1572 
                 CA 
                 GLN 
                 A 
                 1846 
                 −0.631 
                 38.011 
                 24.570 
                 1.00 
                 26.63 
                 C 
               
               
                 ATOM 
                 1573 
                 C 
                 GLN 
                 A 
                 1846 
                 −1.686 
                 38.831 
                 25.279 
                 1.00 
                 26.16 
                 C 
               
               
                 ATOM 
                 1574 
                 O 
                 GLN 
                 A 
                 1846 
                 −2.706 
                 38.309 
                 25.725 
                 1.00 
                 25.68 
                 O 
               
               
                 ATOM 
                 1575 
                 CB 
                 GLN 
                 A 
                 1846 
                 −1.120 
                 37.457 
                 23.220 
                 1.00 
                 27.43 
                 C 
               
               
                 ATOM 
                 1576 
                 CG 
                 GLN 
                 A 
                 1846 
                 −2.621 
                 37.358 
                 23.067 
                 1.00 
                 33.52 
                 C 
               
               
                 ATOM 
                 1577 
                 CD 
                 GLN 
                 A 
                 1846 
                 −3.019 
                 36.946 
                 21.646 
                 1.00 
                 37.64 
                 C 
               
               
                 ATOM 
                 1578 
                 OE1 
                 GLN 
                 A 
                 1846 
                 −2.157 
                 36.526 
                 20.863 
                 1.00 
                 41.72 
                 O 
               
               
                 ATOM 
                 1579 
                 NE2 
                 GLN 
                 A 
                 1846 
                 −4.308 
                 37.049 
                 21.324 
                 1.00 
                 36.71 
                 N 
               
               
                 ATOM 
                 1580 
                 N 
                 CYS 
                 A 
                 1847 
                 −1.414 
                 40.113 
                 25.449 
                 1.00 
                 26.49 
                 N 
               
               
                 ATOM 
                 1581 
                 CA 
                 CYS 
                 A 
                 1847 
                 −2.331 
                 40.955 
                 26.185 
                 1.00 
                 27.23 
                 C 
               
               
                 ATOM 
                 1582 
                 C 
                 CYS 
                 A 
                 1847 
                 −3.663 
                 41.085 
                 25.462 
                 1.00 
                 27.54 
                 C 
               
               
                 ATOM 
                 1583 
                 O 
                 CYS 
                 A 
                 1847 
                 −3.702 
                 41.666 
                 24.398 
                 1.00 
                 28.42 
                 O 
               
               
                 ATOM 
                 1584 
                 CB 
                 CYS 
                 A 
                 1847 
                 −1.718 
                 42.334 
                 26.347 
                 1.00 
                 27.25 
                 C 
               
               
                 ATOM 
                 1585 
                 SG 
                 CYS 
                 A 
                 1847 
                 −2.629 
                 43.347 
                 27.508 
                 1.00 
                 29.32 
                 S 
               
               
                 ATOM 
                 1586 
                 N 
                 GLN 
                 A 
                 1848 
                 −4.751 
                 40.580 
                 26.043 
                 1.00 
                 28.34 
                 N 
               
               
                 ATOM 
                 1587 
                 CA 
                 GLN 
                 A 
                 1848 
                 −6.052 
                 40.636 
                 25.370 
                 1.00 
                 28.42 
                 C 
               
               
                 ATOM 
                 1588 
                 C 
                 GLN 
                 A 
                 1848 
                 −6.686 
                 42.019 
                 25.431 
                 1.00 
                 28.76 
                 C 
               
               
                 ATOM 
                 1589 
                 O 
                 GLN 
                 A 
                 1848 
                 −6.449 
                 42.788 
                 26.368 
                 1.00 
                 28.33 
                 O 
               
               
                 ATOM 
                 1590 
                 CB 
                 GLN 
                 A 
                 1848 
                 −7.045 
                 39.637 
                 25.981 
                 1.00 
                 28.38 
                 C 
               
               
                 ATOM 
                 1591 
                 CG 
                 GLN 
                 A 
                 1848 
                 −6.620 
                 38.171 
                 25.955 
                 1.00 
                 29.42 
                 C 
               
               
                 ATOM 
                 1592 
                 CD 
                 GLN 
                 A 
                 1848 
                 −6.360 
                 37.694 
                 24.548 
                 1.00 
                 30.00 
                 C 
               
               
                 ATOM 
                 1593 
                 OE1 
                 GLN 
                 A 
                 1848 
                 −7.299 
                 37.437 
                 23.795 
                 1.00 
                 32.22 
                 O 
               
               
                 ATOM 
                 1594 
                 NE2 
                 GLN 
                 A 
                 1848 
                 −5.099 
                 37.601 
                 24.179 
                 1.00 
                 28.64 
                 N 
               
               
                 ATOM 
                 1595 
                 N 
                 GLU 
                 A 
                 1849 
                 −7.512 
                 42.338 
                 24.435 
                 1.00 
                 29.64 
                 N 
               
               
                 ATOM 
                 1596 
                 CA 
                 GLU 
                 A 
                 1849 
                 −8.286 
                 43.574 
                 24.502 
                 1.00 
                 30.42 
                 C 
               
               
                 ATOM 
                 1597 
                 C 
                 GLU 
                 A 
                 1849 
                 −9.195 
                 43.461 
                 25.716 
                 1.00 
                 30.05 
                 C 
               
               
                 ATOM 
                 1598 
                 O 
                 GLU 
                 A 
                 1849 
                 −9.608 
                 42.355 
                 26.082 
                 1.00 
                 30.02 
                 O 
               
               
                 ATOM 
                 1599 
                 CB 
                 GLU 
                 A 
                 1849 
                 −9.098 
                 43.779 
                 23.217 
                 1.00 
                 30.93 
                 C 
               
               
                 ATOM 
                 1600 
                 CG 
                 GLU 
                 A 
                 1849 
                 −8.217 
                 43.963 
                 21.988 
                 1.00 
                 32.10 
                 C 
               
               
                 ATOM 
                 1601 
                 CD 
                 GLU 
                 A 
                 1849 
                 −7.398 
                 45.244 
                 22.035 
                 1.00 
                 34.27 
                 C 
               
               
                 ATOM 
                 1602 
                 OE1 
                 GLU 
                 A 
                 1849 
                 −7.781 
                 46.199 
                 22.751 
                 1.00 
                 36.49 
                 O 
               
               
                 ATOM 
                 1603 
                 OE2 
                 GLU 
                 A 
                 1849 
                 −6.353 
                 45.300 
                 21.360 
                 1.00 
                 37.55 
                 O 
               
               
                 ATOM 
                 1604 
                 N 
                 LEU 
                 A 
                 1850 
                 −9.500 
                 44.582 
                 26.364 
                 1.00 
                 30.45 
                 N 
               
               
                 ATOM 
                 1605 
                 CA 
                 LEU 
                 A 
                 1850 
                 −10.329 
                 44.543 
                 27.570 
                 1.00 
                 30.93 
                 C 
               
               
                 ATOM 
                 1606 
                 C 
                 LEU 
                 A 
                 1850 
                 −11.805 
                 44.264 
                 27.326 
                 1.00 
                 31.98 
                 C 
               
               
                 ATOM 
                 1607 
                 O 
                 LEU 
                 A 
                 1850 
                 −12.518 
                 43.795 
                 28.215 
                 1.00 
                 30.45 
                 O 
               
               
                 ATOM 
                 1608 
                 CB 
                 LEU 
                 A 
                 1850 
                 −10.236 
                 45.869 
                 28.317 
                 1.00 
                 31.44 
                 C 
               
               
                 ATOM 
                 1609 
                 CG 
                 LEU 
                 A 
                 1850 
                 −8.838 
                 46.340 
                 28.673 
                 1.00 
                 31.79 
                 C 
               
               
                 ATOM 
                 1610 
                 CD1 
                 LEU 
                 A 
                 1850 
                 −8.946 
                 47.646 
                 29.435 
                 1.00 
                 33.57 
                 C 
               
               
                 ATOM 
                 1611 
                 CD2 
                 LEU 
                 A 
                 1850 
                 −8.151 
                 45.270 
                 29.510 
                 1.00 
                 31.94 
                 C 
               
               
                 ATOM 
                 1612 
                 N 
                 ASP 
                 A 
                 1851 
                 −12.241 
                 44.544 
                 26.104 
                 1.00 
                 33.13 
                 N 
               
               
                 ATOM 
                 1613 
                 CA 
                 ASP 
                 A 
                 1851 
                 −13.661 
                 44.543 
                 25.747 
                 1.00 
                 34.63 
                 C 
               
               
                 ATOM 
                 1614 
                 C 
                 ASP 
                 A 
                 1851 
                 −14.556 
                 43.446 
                 26.324 
                 1.00 
                 34.22 
                 C 
               
               
                 ATOM 
                 1615 
                 O 
                 ASP 
                 A 
                 1851 
                 −15.501 
                 43.744 
                 27.049 
                 1.00 
                 34.06 
                 O 
               
               
                 ATOM 
                 1616 
                 CB 
                 ASP 
                 A 
                 1851 
                 −13.814 
                 44.586 
                 24.225 
                 1.00 
                 35.68 
                 C 
               
               
                 ATOM 
                 1617 
                 CG 
                 ASP 
                 A 
                 1851 
                 −12.956 
                 45.662 
                 23.586 
                 1.00 
                 39.32 
                 C 
               
               
                 ATOM 
                 1618 
                 OD1 
                 ASP 
                 A 
                 1851 
                 −12.616 
                 46.653 
                 24.268 
                 1.00 
                 43.83 
                 O 
               
               
                 ATOM 
                 1619 
                 OD2 
                 ASP 
                 A 
                 1851 
                 −12.563 
                 45.593 
                 22.404 
                 1.00 
                 44.60 
                 O 
               
               
                 ATOM 
                 1620 
                 N 
                 THR 
                 A 
                 1852 
                 −14.269 
                 42.189 
                 26.000 
                 1.00 
                 34.07 
                 N 
               
               
                 ATOM 
                 1621 
                 CA 
                 THR 
                 A 
                 1852 
                 −15.130 
                 41.091 
                 26.421 
                 1.00 
                 33.71 
                 C 
               
               
                 ATOM 
                 1622 
                 C 
                 THR 
                 A 
                 1852 
                 −15.063 
                 40.806 
                 27.916 
                 1.00 
                 33.36 
                 C 
               
               
                 ATOM 
                 1623 
                 O 
                 THR 
                 A 
                 1852 
                 −15.854 
                 40.022 
                 28.427 
                 1.00 
                 32.23 
                 O 
               
               
                 ATOM 
                 1624 
                 CB 
                 THR 
                 A 
                 1852 
                 −14.855 
                 39.781 
                 25.617 
                 1.00 
                 34.36 
                 C 
               
               
                 ATOM 
                 1625 
                 OG1 
                 THR 
                 A 
                 1852 
                 −13.557 
                 39.261 
                 25.933 
                 1.00 
                 34.49 
                 O 
               
               
                 ATOM 
                 1626 
                 CG2 
                 THR 
                 A 
                 1852 
                 −14.770 
                 40.057 
                 24.115 
                 1.00 
                 35.54 
                 C 
               
               
                 ATOM 
                 1627 
                 N 
                 TYR 
                 A 
                 1853 
                 −14.128 
                 41.454 
                 28.615 
                 1.00 
                 32.06 
                 N 
               
               
                 ATOM 
                 1628 
                 CA 
                 TYR 
                 A 
                 1853 
                 −13.960 
                 41.216 
                 30.037 
                 1.00 
                 31.98 
                 C 
               
               
                 ATOM 
                 1629 
                 C 
                 TYR 
                 A 
                 1853 
                 −14.523 
                 42.346 
                 30.882 
                 1.00 
                 32.79 
                 C 
               
               
                 ATOM 
                 1630 
                 O 
                 TYR 
                 A 
                 1853 
                 −14.733 
                 42.181 
                 32.087 
                 1.00 
                 31.91 
                 O 
               
               
                 ATOM 
                 1631 
                 CB 
                 TYR 
                 A 
                 1853 
                 −12.473 
                 41.022 
                 30.374 
                 1.00 
                 31.05 
                 C 
               
               
                 ATOM 
                 1632 
                 CG 
                 TYR 
                 A 
                 1853 
                 −11.801 
                 39.933 
                 29.560 
                 1.00 
                 28.55 
                 C 
               
               
                 ATOM 
                 1633 
                 CD1 
                 TYR 
                 A 
                 1853 
                 −11.015 
                 40.249 
                 28.467 
                 1.00 
                 26.82 
                 C 
               
               
                 ATOM 
                 1634 
                 CD2 
                 TYR 
                 A 
                 1853 
                 −11.970 
                 38.591 
                 29.880 
                 1.00 
                 26.26 
                 C 
               
               
                 ATOM 
                 1635 
                 CE1 
                 TYR 
                 A 
                 1853 
                 −10.392 
                 39.262 
                 27.706 
                 1.00 
                 25.64 
                 C 
               
               
                 ATOM 
                 1636 
                 CE2 
                 TYR 
                 A 
                 1853 
                 −11.355 
                 37.595 
                 29.119 
                 1.00 
                 26.13 
                 C 
               
               
                 ATOM 
                 1637 
                 CZ 
                 TYR 
                 A 
                 1853 
                 −10.557 
                 37.943 
                 28.047 
                 1.00 
                 25.03 
                 C 
               
               
                 ATOM 
                 1638 
                 OH 
                 TYR 
                 A 
                 1853 
                 −9.931 
                 36.983 
                 27.280 
                 1.00 
                 24.41 
                 O 
               
               
                 ATOM 
                 1639 
                 N 
                 LEU 
                 A 
                 1854 
                 −14.766 
                 43.492 
                 30.249 
                 1.00 
                 33.66 
                 N 
               
               
                 ATOM 
                 1640 
                 CA 
                 LEU 
                 A 
                 1854 
                 −15.232 
                 44.683 
                 30.965 
                 1.00 
                 34.46 
                 C 
               
               
                 ATOM 
                 1641 
                 C 
                 LEU 
                 A 
                 1854 
                 −16.504 
                 44.494 
                 31.764 
                 1.00 
                 35.09 
                 C 
               
               
                 ATOM 
                 1642 
                 O 
                 LEU 
                 A 
                 1854 
                 −17.434 
                 43.842 
                 31.317 
                 1.00 
                 35.00 
                 O 
               
               
                 ATOM 
                 1643 
                 CB 
                 LEU 
                 A 
                 1854 
                 −15.445 
                 45.852 
                 30.009 
                 1.00 
                 34.47 
                 C 
               
               
                 ATOM 
                 1644 
                 CG 
                 LEU 
                 A 
                 1854 
                 −14.215 
                 46.608 
                 29.509 
                 1.00 
                 35.64 
                 C 
               
               
                 ATOM 
                 1645 
                 CD1 
                 LEU 
                 A 
                 1854 
                 −14.625 
                 47.533 
                 28.359 
                 1.00 
                 36.58 
                 C 
               
               
                 ATOM 
                 1646 
                 CD2 
                 LEU 
                 A 
                 1854 
                 −13.553 
                 47.400 
                 30.639 
                 1.00 
                 34.53 
                 C 
               
               
                 ATOM 
                 1647 
                 N 
                 ILE 
                 A 
                 1855 
                 −16.525 
                 45.077 
                 32.955 
                 1.00 
                 35.82 
                 N 
               
               
                 ATOM 
                 1648 
                 CA 
                 ILE 
                 A 
                 1855 
                 −17.679 
                 45.017 
                 33.834 
                 1.00 
                 37.37 
                 C 
               
               
                 ATOM 
                 1649 
                 C 
                 ILE 
                 A 
                 1855 
                 −18.335 
                 46.389 
                 33.844 
                 1.00 
                 38.72 
                 C 
               
               
                 ATOM 
                 1650 
                 O 
                 ILE 
                 A 
                 1855 
                 −17.672 
                 47.384 
                 34.115 
                 1.00 
                 38.69 
                 O 
               
               
                 ATOM 
                 1651 
                 CB 
                 ILE 
                 A 
                 1855 
                 −17.225 
                 44.649 
                 35.250 
                 1.00 
                 37.41 
                 C 
               
               
                 ATOM 
                 1652 
                 CG1 
                 ILE 
                 A 
                 1855 
                 −16.713 
                 43.208 
                 35.275 
                 1.00 
                 37.27 
                 C 
               
               
                 ATOM 
                 1653 
                 CG2 
                 ILE 
                 A 
                 1855 
                 −18.355 
                 44.861 
                 36.256 
                 1.00 
                 38.04 
                 C 
               
               
                 ATOM 
                 1654 
                 CD1 
                 ILE 
                 A 
                 1855 
                 −15.959 
                 42.856 
                 36.526 
                 1.00 
                 36.90 
                 C 
               
               
                 ATOM 
                 1655 
                 N 
                 PRO 
                 A 
                 1856 
                 −19.636 
                 46.449 
                 33.565 
                 1.00 
                 40.18 
                 N 
               
               
                 ATOM 
                 1656 
                 CA 
                 PRO 
                 A 
                 1856 
                 −20.346 
                 47.738 
                 33.538 
                 1.00 
                 41.38 
                 C 
               
               
                 ATOM 
                 1657 
                 C 
                 PRO 
                 A 
                 1856 
                 −20.243 
                 48.462 
                 34.875 
                 1.00 
                 42.08 
                 C 
               
               
                 ATOM 
                 1658 
                 O 
                 PRO 
                 A 
                 1856 
                 −20.470 
                 47.844 
                 35.908 
                 1.00 
                 42.24 
                 O 
               
               
                 ATOM 
                 1659 
                 CB 
                 PRO 
                 A 
                 1856 
                 −21.806 
                 47.349 
                 33.279 
                 1.00 
                 41.39 
                 C 
               
               
                 ATOM 
                 1660 
                 CG 
                 PRO 
                 A 
                 1856 
                 −21.735 
                 45.980 
                 32.678 
                 1.00 
                 41.56 
                 C 
               
               
                 ATOM 
                 1661 
                 CD 
                 PRO 
                 A 
                 1856 
                 −20.515 
                 45.302 
                 33.267 
                 1.00 
                 40.34 
                 C 
               
               
                 ATOM 
                 1662 
                 N 
                 GLN 
                 A 
                 1857 
                 −19.897 
                 49.744 
                 34.856 
                 1.00 
                 43.27 
                 N 
               
               
                 ATOM 
                 1663 
                 CA 
                 GLN 
                 A 
                 1857 
                 −19.830 
                 50.512 
                 36.094 
                 1.00 
                 44.87 
                 C 
               
               
                 ATOM 
                 1664 
                 C 
                 GLN 
                 A 
                 1857 
                 −20.950 
                 51.546 
                 36.196 
                 1.00 
                 46.28 
                 C 
               
               
                 ATOM 
                 1665 
                 O 
                 GLN 
                 A 
                 1857 
                 −21.118 
                 52.384 
                 35.310 
                 1.00 
                 46.50 
                 O 
               
               
                 ATOM 
                 1666 
                 CB 
                 GLN 
                 A 
                 1857 
                 −18.469 
                 51.196 
                 36.255 
                 1.00 
                 44.60 
                 C 
               
               
                 ATOM 
                 1667 
                 CG 
                 GLN 
                 A 
                 1857 
                 −17.303 
                 50.227 
                 36.463 
                 1.00 
                 43.44 
                 C 
               
               
                 ATOM 
                 1668 
                 CD 
                 GLN 
                 A 
                 1857 
                 −17.454 
                 49.382 
                 37.710 
                 1.00 
                 42.10 
                 C 
               
               
                 ATOM 
                 1669 
                 OE1 
                 GLN 
                 A 
                 1857 
                 −17.500 
                 49.911 
                 38.828 
                 1.00 
                 41.92 
                 O 
               
               
                 ATOM 
                 1670 
                 NE2 
                 GLN 
                 A 
                 1857 
                 −17.525 
                 48.065 
                 37.529 
                 1.00 
                 40.14 
                 N 
               
               
                 ATOM 
                 1671 
                 N 
                 ILE 
                 A 
                 1858 
                 −21.702 
                 51.478 
                 37.291 
                 1.00 
                 47.79 
                 N 
               
               
                 ATOM 
                 1672 
                 CA 
                 ILE 
                 A 
                 1858 
                 −22.771 
                 52.431 
                 37.573 
                 1.00 
                 49.45 
                 C 
               
               
                 ATOM 
                 1673 
                 C 
                 ILE 
                 A 
                 1858 
                 −22.206 
                 53.841 
                 37.743 
                 1.00 
                 50.11 
                 C 
               
               
                 ATOM 
                 1674 
                 O 
                 ILE 
                 A 
                 1858 
                 −21.270 
                 54.048 
                 38.517 
                 1.00 
                 50.29 
                 O 
               
               
                 ATOM 
                 1675 
                 CB 
                 ILE 
                 A 
                 1858 
                 −23.525 
                 51.989 
                 38.838 
                 1.00 
                 49.49 
                 C 
               
               
                 ATOM 
                 1676 
                 CG1 
                 ILE 
                 A 
                 1858 
                 −24.407 
                 50.779 
                 38.511 
                 1.00 
                 50.34 
                 C 
               
               
                 ATOM 
                 1677 
                 CG2 
                 ILE 
                 A 
                 1858 
                 −24.339 
                 53.138 
                 39.414 
                 1.00 
                 50.30 
                 C 
               
               
                 ATOM 
                 1678 
                 CD1 
                 ILE 
                 A 
                 1858 
                 −25.163 
                 50.212 
                 39.698 
                 1.00 
                 51.57 
                 C 
               
               
                 ATOM 
                 1679 
                 N 
                 PRO 
                 A 
                 1859 
                 −22.787 
                 54.808 
                 37.033 
                 1.00 
                 50.83 
                 N 
               
               
                 ATOM 
                 1680 
                 CA 
                 PRO 
                 A 
                 1859 
                 −22.304 
                 56.194 
                 37.052 
                 1.00 
                 51.24 
                 C 
               
               
                 ATOM 
                 1681 
                 C 
                 PRO 
                 A 
                 1859 
                 −22.064 
                 56.721 
                 38.463 
                 1.00 
                 51.47 
                 C 
               
               
                 ATOM 
                 1682 
                 O 
                 PRO 
                 A 
                 1859 
                 −22.991 
                 56.675 
                 39.275 
                 1.00 
                 52.19 
                 O 
               
               
                 ATOM 
                 1683 
                 CB 
                 PRO 
                 A 
                 1859 
                 −23.449 
                 56.967 
                 36.394 
                 1.00 
                 51.29 
                 C 
               
               
                 ATOM 
                 1684 
                 CG 
                 PRO 
                 A 
                 1859 
                 −24.085 
                 55.974 
                 35.484 
                 1.00 
                 51.64 
                 C 
               
               
                 ATOM 
                 1685 
                 CD 
                 PRO 
                 A 
                 1859 
                 −23.980 
                 54.646 
                 36.183 
                 1.00 
                 50.96 
                 C 
               
               
                 TER 
                 1686 
                   
                 PRO 
                 A 
                 1859 
               
               
                 ATOM 
                 1687 
                 N 
                 SER 
                 B 
                 6 
                 −4.459 
                 15.911 
                 41.006 
                 1.00 
                 39.58 
                 N 
               
               
                 ATOM 
                 1688 
                 CA 
                 SER 
                 B 
                 6 
                 −3.840 
                 16.534 
                 42.215 
                 1.00 
                 38.75 
                 C 
               
               
                 ATOM 
                 1689 
                 C 
                 SER 
                 B 
                 6 
                 −4.833 
                 17.415 
                 42.958 
                 1.00 
                 38.34 
                 C 
               
               
                 ATOM 
                 1690 
                 O 
                 SER 
                 B 
                 6 
                 −5.948 
                 17.650 
                 42.500 
                 1.00 
                 39.29 
                 O 
               
               
                 ATOM 
                 1691 
                 CB 
                 SER 
                 B 
                 6 
                 −2.601 
                 17.360 
                 41.836 
                 1.00 
                 39.15 
                 C 
               
               
                 ATOM 
                 1692 
                 OG 
                 SER 
                 B 
                 6 
                 −2.941 
                 18.694 
                 41.537 
                 1.00 
                 37.83 
                 O 
               
               
                 ATOM 
                 1693 
                 N 
                 THR 
                 B 
                 7 
                 −4.414 
                 17.889 
                 44.119 
                 1.00 
                 37.73 
                 N 
               
               
                 ATOM 
                 1694 
                 CA 
                 THR 
                 B 
                 7 
                 −5.228 
                 18.771 
                 44.926 
                 1.00 
                 37.38 
                 C 
               
               
                 ATOM 
                 1695 
                 C 
                 THR 
                 B 
                 7 
                 −5.255 
                 20.180 
                 44.301 
                 1.00 
                 35.24 
                 C 
               
               
                 ATOM 
                 1696 
                 O 
                 THR 
                 B 
                 7 
                 −6.021 
                 21.044 
                 44.739 
                 1.00 
                 35.41 
                 O 
               
               
                 ATOM 
                 1697 
                 CB 
                 THR 
                 B 
                 7 
                 −4.596 
                 18.879 
                 46.332 
                 1.00 
                 37.44 
                 C 
               
               
                 ATOM 
                 1698 
                 OG1 
                 THR 
                 B 
                 7 
                 −5.022 
                 17.778 
                 47.152 
                 1.00 
                 42.36 
                 O 
               
               
                 ATOM 
                 1699 
                 CG2 
                 THR 
                 B 
                 7 
                 −5.131 
                 20.089 
                 47.068 
                 1.00 
                 39.08 
                 C 
               
               
                 HETATM 
                 1700 
                 N 
                 SEP 
                 B 
                 8 
                 −4.430 
                 20.416 
                 43.278 
                 1.00 
                 32.99 
                 N 
               
               
                 HETATM 
                 1701 
                 CA 
                 SEP 
                 B 
                 8 
                 −4.302 
                 21.772 
                 42.722 
                 1.00 
                 30.87 
                 C 
               
               
                 HETATM 
                 1702 
                 CB 
                 SEP 
                 B 
                 8 
                 −3.049 
                 21.883 
                 41.828 
                 1.00 
                 30.51 
                 C 
               
               
                 HETATM 
                 1703 
                 OG 
                 SEP 
                 B 
                 8 
                 −1.880 
                 21.560 
                 42.566 
                 1.00 
                 27.95 
                 O 
               
               
                 HETATM 
                 1704 
                 C 
                 SEP 
                 B 
                 8 
                 −5.540 
                 22.248 
                 41.957 
                 1.00 
                 29.89 
                 C 
               
               
                 HETATM 
                 1705 
                 O 
                 SEP 
                 B 
                 8 
                 −5.979 
                 21.597 
                 41.022 
                 1.00 
                 29.41 
                 O 
               
               
                 HETATM 
                 1706 
                 P 
                 SEP 
                 B 
                 8 
                 −0.542 
                 21.347 
                 41.689 
                 1.00 
                 25.10 
                 P 
               
               
                 HETATM 
                 1707 
                 O1P 
                 SEP 
                 B 
                 8 
                 −0.407 
                 22.545 
                 40.622 
                 1.00 
                 28.57 
                 O 
               
               
                 HETATM 
                 1708 
                 O2P 
                 SEP 
                 B 
                 8 
                 −0.648 
                 19.952 
                 40.948 
                 1.00 
                 26.27 
                 O 
               
               
                 HETATM 
                 1709 
                 O3P 
                 SEP 
                 B 
                 8 
                 0.647 
                 21.417 
                 42.775 
                 1.00 
                 27.15 
                 O 
               
               
                 ATOM 
                 1710 
                 N 
                 PRO 
                 B 
                 9 
                 −6.089 
                 23.397 
                 42.334 
                 1.00 
                 29.40 
                 N 
               
               
                 ATOM 
                 1711 
                 CA 
                 PRO 
                 B 
                 9 
                 −7.257 
                 23.935 
                 41.625 
                 1.00 
                 28.97 
                 C 
               
               
                 ATOM 
                 1712 
                 C 
                 PRO 
                 B 
                 9 
                 −6.958 
                 24.139 
                 40.149 
                 1.00 
                 28.38 
                 C 
               
               
                 ATOM 
                 1713 
                 O 
                 PRO 
                 B 
                 9 
                 −5.800 
                 24.405 
                 39.790 
                 1.00 
                 27.24 
                 O 
               
               
                 ATOM 
                 1714 
                 CB 
                 PRO 
                 B 
                 9 
                 −7.477 
                 25.299 
                 42.281 
                 1.00 
                 29.34 
                 C 
               
               
                 ATOM 
                 1715 
                 CG 
                 PRO 
                 B 
                 9 
                 −6.830 
                 25.197 
                 43.625 
                 1.00 
                 29.99 
                 C 
               
               
                 ATOM 
                 1716 
                 CD 
                 PRO 
                 B 
                 9 
                 −5.658 
                 24.262 
                 43.446 
                 1.00 
                 29.53 
                 C 
               
               
                 ATOM 
                 1717 
                 N 
                 THR 
                 B 
                 10 
                 −7.976 
                 23.976 
                 39.307 
                 1.00 
                 27.13 
                 N 
               
               
                 ATOM 
                 1718 
                 CA 
                 THR 
                 B 
                 10 
                 −7.842 
                 24.301 
                 37.891 
                 1.00 
                 27.79 
                 C 
               
               
                 ATOM 
                 1719 
                 C 
                 THR 
                 B 
                 10 
                 −8.730 
                 25.495 
                 37.620 
                 1.00 
                 26.89 
                 C 
               
               
                 ATOM 
                 1720 
                 O 
                 THR 
                 B 
                 10 
                 −9.653 
                 25.784 
                 38.383 
                 1.00 
                 27.00 
                 O 
               
               
                 ATOM 
                 1721 
                 CB 
                 THR 
                 B 
                 10 
                 −8.241 
                 23.136 
                 36.992 
                 1.00 
                 27.55 
                 C 
               
               
                 ATOM 
                 1722 
                 OG1 
                 THR 
                 B 
                 10 
                 −9.538 
                 22.661 
                 37.388 
                 1.00 
                 28.31 
                 O 
               
               
                 ATOM 
                 1723 
                 CG2 
                 THR 
                 B 
                 10 
                 −7.288 
                 21.952 
                 37.221 
                 1.00 
                 28.82 
                 C 
               
               
                 ATOM 
                 1724 
                 N 
                 PHE 
                 B 
                 11 
                 −8.439 
                 26.202 
                 36.542 
                 1.00 
                 26.51 
                 N 
               
               
                 ATOM 
                 1725 
                 CA 
                 PHE 
                 B 
                 11 
                 −9.164 
                 27.413 
                 36.253 
                 1.00 
                 27.05 
                 C 
               
               
                 ATOM 
                 1726 
                 C 
                 PHE 
                 B 
                 11 
                 −9.842 
                 27.345 
                 34.915 
                 1.00 
                 27.64 
                 C 
               
               
                 ATOM 
                 1727 
                 O 
                 PHE 
                 B 
                 11 
                 −9.238 
                 27.618 
                 33.893 
                 1.00 
                 26.95 
                 O 
               
               
                 ATOM 
                 1728 
                 CB 
                 PHE 
                 B 
                 11 
                 −8.219 
                 28.598 
                 36.346 
                 1.00 
                 27.22 
                 C 
               
               
                 ATOM 
                 1729 
                 CG 
                 PHE 
                 B 
                 11 
                 −7.701 
                 28.786 
                 37.726 
                 1.00 
                 25.62 
                 C 
               
               
                 ATOM 
                 1730 
                 CD1 
                 PHE 
                 B 
                 11 
                 −6.608 
                 28.058 
                 38.179 
                 1.00 
                 26.44 
                 C 
               
               
                 ATOM 
                 1731 
                 CD2 
                 PHE 
                 B 
                 11 
                 −8.370 
                 29.607 
                 38.603 
                 1.00 
                 25.53 
                 C 
               
               
                 ATOM 
                 1732 
                 CE1 
                 PHE 
                 B 
                 11 
                 −6.156 
                 28.188 
                 39.487 
                 1.00 
                 26.35 
                 C 
               
               
                 ATOM 
                 1733 
                 CE2 
                 PHE 
                 B 
                 11 
                 −7.925 
                 29.754 
                 39.906 
                 1.00 
                 25.43 
                 C 
               
               
                 ATOM 
                 1734 
                 CZ 
                 PHE 
                 B 
                 11 
                 −6.827 
                 29.039 
                 40.350 
                 1.00 
                 26.32 
                 C 
               
               
                 ATOM 
                 1735 
                 N 
                 ASN 
                 B 
                 12 
                 −11.116 
                 26.983 
                 34.948 
                 1.00 
                 28.81 
                 N 
               
               
                 ATOM 
                 1736 
                 CA 
                 ASN 
                 B 
                 12 
                 −11.895 
                 26.875 
                 33.728 
                 1.00 
                 30.08 
                 C 
               
               
                 ATOM 
                 1737 
                 C 
                 ASN 
                 B 
                 12 
                 −12.912 
                 27.998 
                 33.637 
                 1.00 
                 30.52 
                 C 
               
               
                 ATOM 
                 1738 
                 O 
                 ASN 
                 B 
                 12 
                 −13.030 
                 28.836 
                 34.548 
                 1.00 
                 31.49 
                 O 
               
               
                 ATOM 
                 1739 
                 CB 
                 ASN 
                 B 
                 12 
                 −12.562 
                 25.499 
                 33.633 
                 1.00 
                 30.75 
                 C 
               
               
                 ATOM 
                 1740 
                 CG 
                 ASN 
                 B 
                 12 
                 −11.573 
                 24.372 
                 33.782 
                 1.00 
                 32.28 
                 C 
               
               
                 ATOM 
                 1741 
                 OD1 
                 ASN 
                 B 
                 12 
                 −10.696 
                 24.185 
                 32.941 
                 1.00 
                 33.02 
                 O 
               
               
                 ATOM 
                 1742 
                 ND2 
                 ASN 
                 B 
                 12 
                 −11.699 
                 23.616 
                 34.862 
                 1.00 
                 35.51 
                 N 
               
               
                 ATOM 
                 1743 
                 N 
                 LYS 
                 B 
                 13 
                 −13.636 
                 28.051 
                 32.526 
                 1.00 
                 30.56 
                 N 
               
               
                 ATOM 
                 1744 
                 CA 
                 LYS 
                 B 
                 13 
                 −14.613 
                 29.123 
                 32.347 
                 1.00 
                 31.23 
                 C 
               
               
                 ATOM 
                 1745 
                 C 
                 LYS 
                 B 
                 13 
                 −15.905 
                 28.783 
                 33.072 
                 1.00 
                 32.26 
                 C 
               
               
                 ATOM 
                 1746 
                 O 
                 LYS 
                 B 
                 13 
                 −16.744 
                 29.665 
                 33.296 
                 1.00 
                 32.52 
                 O 
               
               
                 ATOM 
                 1747 
                 CB 
                 LYS 
                 B 
                 13 
                 −14.877 
                 29.405 
                 30.862 
                 1.00 
                 31.58 
                 C 
               
               
                 ATOM 
                 1748 
                 CG 
                 LYS 
                 B 
                 13 
                 −13.653 
                 29.896 
                 30.071 
                 1.00 
                 30.38 
                 C 
               
               
                 ATOM 
                 1749 
                 CD 
                 LYS 
                 B 
                 13 
                 −13.412 
                 31.388 
                 30.258 
                 1.00 
                 30.46 
                 C 
               
               
                 ATOM 
                 1750 
                 CE 
                 LYS 
                 B 
                 13 
                 −12.203 
                 31.900 
                 29.451 
                 1.00 
                 28.05 
                 C 
               
               
                 ATOM 
                 1751 
                 NZ 
                 LYS 
                 B 
                 13 
                 −11.788 
                 33.220 
                 30.019 
                 1.00 
                 26.69 
                 N 
               
               
                 TER 
                 1752 
                   
                 LYS 
                 B 
                 13 
               
               
                 HETATM 
                 1753 
                 O 
                 HOH 
                   
                 2 
                 −13.452 
                 35.972 
                 36.780 
                 1.00 
                 13.79 
                 O 
               
               
                 HETATM 
                 1754 
                 O 
                 HOH 
                   
                 3 
                 5.465 
                 30.066 
                 17.850 
                 1.00 
                 21.35 
                 O 
               
               
                 HETATM 
                 1755 
                 O 
                 HOH 
                   
                 4 
                 12.653 
                 36.338 
                 25.818 
                 1.00 
                 23.18 
                 O 
               
               
                 HETATM 
                 1756 
                 O 
                 HOH 
                   
                 6 
                 3.759 
                 26.707 
                 44.073 
                 1.00 
                 24.12 
                 O 
               
               
                 HETATM 
                 1757 
                 O 
                 HOH 
                   
                 7 
                 7.923 
                 26.759 
                 28.024 
                 1.00 
                 24.16 
                 O 
               
               
                 HETATM 
                 1758 
                 O 
                 HOH 
                   
                 8 
                 4.534 
                 26.718 
                 23.569 
                 1.00 
                 21.61 
                 O 
               
               
                 HETATM 
                 1759 
                 O 
                 HOH 
                   
                 9 
                 21.408 
                 15.707 
                 35.455 
                 1.00 
                 37.40 
                 O 
               
               
                 HETATM 
                 1760 
                 O 
                 HOH 
                   
                 10 
                 6.703 
                 37.676 
                 31.585 
                 1.00 
                 21.82 
                 O 
               
               
                 HETATM 
                 1761 
                 O 
                 HOH 
                   
                 12 
                 −12.761 
                 40.418 
                 43.310 
                 1.00 
                 26.49 
                 O 
               
               
                 HETATM 
                 1762 
                 O 
                 HOH 
                   
                 13 
                 0.402 
                 52.504 
                 33.466 
                 1.00 
                 30.11 
                 O 
               
               
                 HETATM 
                 1763 
                 O 
                 HOH 
                   
                 14 
                 −16.205 
                 35.546 
                 38.233 
                 1.00 
                 26.90 
                 O 
               
               
                 HETATM 
                 1764 
                 O 
                 HOH 
                   
                 15 
                 −12.691 
                 27.037 
                 37.482 
                 1.00 
                 32.90 
                 O 
               
               
                 HETATM 
                 1765 
                 O 
                 HOH 
                   
                 16 
                 1.263 
                 60.489 
                 32.218 
                 1.00 
                 25.18 
                 O 
               
               
                 HETATM 
                 1766 
                 O 
                 HOH 
                   
                 17 
                 9.234 
                 36.965 
                 33.821 
                 1.00 
                 26.85 
                 O 
               
               
                 HETATM 
                 1767 
                 O 
                 HOH 
                   
                 18 
                 11.279 
                 32.720 
                 35.936 
                 1.00 
                 32.65 
                 O 
               
               
                 HETATM 
                 1768 
                 O 
                 HOH 
                   
                 19 
                 −14.783 
                 37.111 
                 32.130 
                 1.00 
                 31.36 
                 O 
               
               
                 HETATM 
                 1769 
                 O 
                 HOH 
                   
                 20 
                 15.346 
                 25.795 
                 43.568 
                 1.00 
                 32.73 
                 O 
               
               
                 HETATM 
                 1770 
                 O 
                 HOH 
                   
                 21 
                 −5.266 
                 36.132 
                 49.503 
                 1.00 
                 42.15 
                 O 
               
               
                 HETATM 
                 1771 
                 O 
                 HOH 
                   
                 22 
                 −11.235 
                 33.894 
                 37.065 
                 1.00 
                 26.80 
                 O 
               
               
                 HETATM 
                 1772 
                 O 
                 HOH 
                   
                 23 
                 −0.948 
                 25.060 
                 40.939 
                 1.00 
                 24.62 
                 O 
               
               
                 HETATM 
                 1773 
                 O 
                 HOH 
                   
                 25 
                 6.144 
                 20.311 
                 42.468 
                 1.00 
                 25.20 
                 O 
               
               
                 HETATM 
                 1774 
                 O 
                 HOH 
                   
                 26 
                 −5.044 
                 60.327 
                 34.893 
                 1.00 
                 32.08 
                 O 
               
               
                 HETATM 
                 1775 
                 O 
                 HOH 
                   
                 27 
                 −8.866 
                 49.985 
                 48.098 
                 1.00 
                 32.25 
                 O 
               
               
                 HETATM 
                 1776 
                 O 
                 HOH 
                   
                 28 
                 −4.677 
                 57.401 
                 33.408 
                 1.00 
                 31.32 
                 O 
               
               
                 HETATM 
                 1777 
                 O 
                 HOH 
                   
                 29 
                 −9.766 
                 37.283 
                 24.696 
                 1.00 
                 33.03 
                 O 
               
               
                 HETATM 
                 1778 
                 O 
                 HOH 
                   
                 30 
                 −15.283 
                 49.012 
                 33.433 
                 1.00 
                 29.57 
                 O 
               
               
                 HETATM 
                 1779 
                 O 
                 HOH 
                   
                 31 
                 9.082 
                 44.380 
                 28.816 
                 1.00 
                 27.14 
                 O 
               
               
                 HETATM 
                 1780 
                 O 
                 HOH 
                   
                 33 
                 −10.873 
                 30.195 
                 35.523 
                 1.00 
                 29.80 
                 O 
               
               
                 HETATM 
                 1781 
                 O 
                 HOH 
                   
                 34 
                 −3.525 
                 25.672 
                 41.049 
                 1.00 
                 24.58 
                 O 
               
               
                 HETATM 
                 1782 
                 O 
                 HOH 
                   
                 35 
                 2.599 
                 38.538 
                 22.916 
                 1.00 
                 33.63 
                 O 
               
               
                 HETATM 
                 1783 
                 O 
                 HOH 
                   
                 36 
                 −7.194 
                 35.792 
                 47.834 
                 1.00 
                 34.60 
                 O 
               
               
                 HETATM 
                 1784 
                 O 
                 HOH 
                   
                 37 
                 6.924 
                 24.791 
                 21.372 
                 1.00 
                 28.18 
                 O 
               
               
                 HETATM 
                 1785 
                 O 
                 HOH 
                   
                 38 
                 7.239 
                 30.104 
                 29.291 
                 1.00 
                 23.23 
                 O 
               
               
                 HETATM 
                 1786 
                 O 
                 HOH 
                   
                 39 
                 7.146 
                 33.205 
                 20.041 
                 1.00 
                 31.82 
                 O 
               
               
                 HETATM 
                 1787 
                 O 
                 HOH 
                   
                 40 
                 −12.072 
                 50.005 
                 48.450 
                 1.00 
                 43.04 
                 O 
               
               
                 HETATM 
                 1788 
                 O 
                 HOH 
                   
                 41 
                 1.667 
                 13.837 
                 30.563 
                 1.00 
                 28.78 
                 O 
               
               
                 HETATM 
                 1789 
                 O 
                 HOH 
                   
                 42 
                 −6.233 
                 51.842 
                 31.514 
                 1.00 
                 32.16 
                 O 
               
               
                 HETATM 
                 1790 
                 O 
                 HOH 
                   
                 43 
                 −3.255 
                 44.471 
                 43.526 
                 1.00 
                 34.15 
                 O 
               
               
                 HETATM 
                 1791 
                 O 
                 HOH 
                   
                 44 
                 14.799 
                 13.474 
                 48.663 
                 1.00 
                 29.54 
                 O 
               
               
                 HETATM 
                 1792 
                 O 
                 HOH 
                   
                 45 
                 −8.201 
                 23.973 
                 33.336 
                 1.00 
                 29.42 
                 O 
               
               
                 HETATM 
                 1793 
                 O 
                 HOH 
                   
                 46 
                 −2.591 
                 19.321 
                 33.390 
                 1.00 
                 30.65 
                 O 
               
               
                 HETATM 
                 1794 
                 O 
                 HOH 
                   
                 47 
                 −10.285 
                 29.829 
                 47.903 
                 1.00 
                 36.69 
                 O 
               
               
                 HETATM 
                 1795 
                 O 
                 HOH 
                   
                 48 
                 −11.849 
                 41.285 
                 24.888 
                 1.00 
                 35.55 
                 O 
               
               
                 HETATM 
                 1796 
                 O 
                 HOH 
                   
                 49 
                 2.758 
                 22.327 
                 17.454 
                 1.00 
                 36.72 
                 O 
               
               
                 HETATM 
                 1797 
                 O 
                 HOH 
                   
                 50 
                 4.780 
                 32.302 
                 45.937 
                 1.00 
                 34.60 
                 O 
               
               
                 HETATM 
                 1798 
                 O 
                 HOH 
                   
                 51 
                 −0.253 
                 26.099 
                 43.327 
                 1.00 
                 29.48 
                 O 
               
               
                 HETATM 
                 1799 
                 O 
                 HOH 
                   
                 52 
                 −6.915 
                 35.455 
                 42.376 
                 1.00 
                 30.40 
                 O 
               
               
                 HETATM 
                 1800 
                 O 
                 HOH 
                   
                 53 
                 11.656 
                 24.759 
                 41.744 
                 1.00 
                 27.69 
                 O 
               
               
                 HETATM 
                 1801 
                 O 
                 HOH 
                   
                 54 
                 14.117 
                 13.588 
                 43.980 
                 1.00 
                 35.88 
                 O 
               
               
                 HETATM 
                 1802 
                 O 
                 HOH 
                   
                 55 
                 −14.123 
                 35.014 
                 30.225 
                 1.00 
                 30.18 
                 O 
               
               
                 HETATM 
                 1803 
                 O 
                 HOH 
                   
                 56 
                 1.792 
                 27.942 
                 42.621 
                 1.00 
                 29.19 
                 O 
               
               
                 HETATM 
                 1804 
                 O 
                 HOH 
                   
                 57 
                 17.437 
                 25.002 
                 28.429 
                 1.00 
                 31.49 
                 O 
               
               
                 HETATM 
                 1805 
                 O 
                 HOH 
                   
                 58 
                 −8.572 
                 47.068 
                 25.046 
                 1.00 
                 37.03 
                 O 
               
               
                 HETATM 
                 1806 
                 O 
                 HOH 
                   
                 59 
                 12.243 
                 38.944 
                 24.353 
                 1.00 
                 34.72 
                 O 
               
               
                 HETATM 
                 1807 
                 O 
                 HOH 
                   
                 60 
                 1.020 
                 17.759 
                 41.133 
                 1.00 
                 29.32 
                 O 
               
               
                 HETATM 
                 1808 
                 O 
                 HOH 
                   
                 61 
                 20.420 
                 13.169 
                 43.660 
                 1.00 
                 38.76 
                 O 
               
               
                 HETATM 
                 1809 
                 O 
                 HOH 
                   
                 62 
                 −4.332 
                 27.518 
                 42.865 
                 1.00 
                 30.84 
                 O 
               
               
                 HETATM 
                 1810 
                 O 
                 HOH 
                   
                 63 
                 −10.394 
                 23.183 
                 40.730 
                 1.00 
                 39.20 
                 O 
               
               
                 HETATM 
                 1811 
                 O 
                 HOH 
                   
                 64 
                 8.578 
                 42.225 
                 35.381 
                 1.00 
                 35.02 
                 O 
               
               
                 HETATM 
                 1812 
                 O 
                 HOH 
                   
                 65 
                 −19.050 
                 52.750 
                 39.473 
                 1.00 
                 46.86 
                 O 
               
               
                 HETATM 
                 1813 
                 O 
                 HOH 
                   
                 67 
                 19.116 
                 22.461 
                 44.869 
                 1.00 
                 29.06 
                 O 
               
               
                 HETATM 
                 1814 
                 O 
                 HOH 
                   
                 69 
                 4.932 
                 48.579 
                 34.082 
                 1.00 
                 41.55 
                 O 
               
               
                 HETATM 
                 1815 
                 O 
                 HOH 
                   
                 70 
                 0.674 
                 41.247 
                 23.802 
                 1.00 
                 32.46 
                 O 
               
               
                 HETATM 
                 1816 
                 O 
                 HOH 
                   
                 71 
                 −4.735 
                 26.612 
                 19.260 
                 1.00 
                 32.06 
                 O 
               
               
                 HETATM 
                 1817 
                 O 
                 HOH 
                   
                 72 
                 −16.624 
                 38.354 
                 30.446 
                 1.00 
                 41.17 
                 O 
               
               
                 HETATM 
                 1818 
                 O 
                 HOH 
                   
                 73 
                 −9.563 
                 31.888 
                 24.802 
                 1.00 
                 47.45 
                 O 
               
               
                 HETATM 
                 1819 
                 O 
                 HOH 
                   
                 74 
                 −8.024 
                 40.395 
                 22.455 
                 1.00 
                 37.25 
                 O 
               
               
                 HETATM 
                 1820 
                 O 
                 HOH 
                   
                 75 
                 22.334 
                 15.119 
                 30.416 
                 1.00 
                 38.23 
                 O 
               
               
                 HETATM 
                 1821 
                 O 
                 HOH 
                   
                 76 
                 10.412 
                 36.360 
                 44.040 
                 1.00 
                 53.49 
                 O 
               
               
                 HETATM 
                 1822 
                 O 
                 HOH 
                   
                 77 
                 0.194 
                 50.468 
                 45.917 
                 1.00 
                 36.75 
                 O 
               
               
                 HETATM 
                 1823 
                 O 
                 HOH 
                   
                 78 
                 11.735 
                 30.457 
                 17.770 
                 1.00 
                 31.20 
                 O 
               
               
                 HETATM 
                 1824 
                 O 
                 HOH 
                   
                 79 
                 13.615 
                 30.264 
                 21.492 
                 1.00 
                 31.47 
                 O 
               
               
                 HETATM 
                 1825 
                 O 
                 HOH 
                   
                 80 
                 1.981 
                 29.997 
                 44.422 
                 1.00 
                 35.31 
                 O 
               
               
                 HETATM 
                 1826 
                 O 
                 HOH 
                   
                 81 
                 −1.459 
                 20.290 
                 20.816 
                 1.00 
                 30.21 
                 O 
               
               
                 HETATM 
                 1827 
                 O 
                 HOH 
                   
                 82 
                 −13.609 
                 26.086 
                 30.220 
                 1.00 
                 27.77 
                 O 
               
               
                 HETATM 
                 1828 
                 O 
                 HOH 
                   
                 83 
                 −3.780 
                 17.446 
                 35.325 
                 1.00 
                 34.26 
                 O 
               
               
                 HETATM 
                 1829 
                 O 
                 HOH 
                   
                 84 
                 −8.279 
                 32.849 
                 46.738 
                 1.00 
                 40.78 
                 O 
               
               
                 HETATM 
                 1830 
                 O 
                 HOH 
                   
                 85 
                 −5.186 
                 58.013 
                 42.604 
                 1.00 
                 39.40 
                 O 
               
               
                 HETATM 
                 1831 
                 O 
                 HOH 
                   
                 86 
                 −3.704 
                 44.611 
                 23.069 
                 1.00 
                 41.93 
                 O 
               
               
                 HETATM 
                 1832 
                 O 
                 HOH 
                   
                 87 
                 −2.399 
                 13.221 
                 36.493 
                 1.00 
                 35.84 
                 O 
               
               
                 HETATM 
                 1833 
                 O 
                 HOH 
                   
                 88 
                 10.819 
                 26.096 
                 46.328 
                 1.00 
                 28.53 
                 O 
               
               
                 HETATM 
                 1834 
                 O 
                 HOH 
                   
                 89 
                 −15.466 
                 31.518 
                 36.743 
                 1.00 
                 65.91 
                 O 
               
               
                 HETATM 
                 1835 
                 O 
                 HOH 
                   
                 90 
                 25.544 
                 18.911 
                 44.692 
                 1.00 
                 44.66 
                 O 
               
               
                 HETATM 
                 1836 
                 O 
                 HOH 
                   
                 91 
                 −15.403 
                 35.810 
                 34.537 
                 1.00 
                 31.61 
                 O 
               
               
                 HETATM 
                 1837 
                 O 
                 HOH 
                   
                 92 
                 12.209 
                 37.191 
                 20.365 
                 1.00 
                 43.77 
                 O 
               
               
                 HETATM 
                 1838 
                 O 
                 HOH 
                   
                 93 
                 −3.822 
                 19.157 
                 19.331 
                 1.00 
                 40.98 
                 O 
               
               
                 HETATM 
                 1839 
                 O 
                 HOH 
                   
                 94 
                 −8.775 
                 20.995 
                 23.829 
                 1.00 
                 43.80 
                 O 
               
               
                 HETATM 
                 1840 
                 O 
                 HOH 
                   
                 95 
                 5.036 
                 46.212 
                 41.225 
                 1.00 
                 38.26 
                 O 
               
               
                 HETATM 
                 1841 
                 O 
                 HOH 
                   
                 96 
                 10.876 
                 37.114 
                 35.849 
                 1.00 
                 37.29 
                 O 
               
               
                 HETATM 
                 1842 
                 O 
                 HOH 
                   
                 97 
                 −2.877 
                 37.361 
                 49.248 
                 1.00 
                 43.97 
                 O 
               
               
                 HETATM 
                 1843 
                 O 
                 HOH 
                   
                 98 
                 1.058 
                 55.760 
                 42.110 
                 1.00 
                 46.37 
                 O 
               
               
                 HETATM 
                 1844 
                 O 
                 HOH 
                   
                 99 
                 −4.680 
                 56.635 
                 36.039 
                 1.00 
                 40.94 
                 O 
               
               
                 HETATM 
                 1845 
                 O 
                 HOH 
                   
                 100 
                 8.956 
                 38.521 
                 20.300 
                 1.00 
                 52.56 
                 O 
               
               
                 HETATM 
                 1846 
                 O 
                 HOH 
                   
                 101 
                 22.213 
                 12.620 
                 29.359 
                 1.00 
                 39.12 
                 O 
               
               
                 HETATM 
                 1847 
                 O 
                 HOH 
                   
                 102 
                 5.384 
                 45.205 
                 25.481 
                 1.00 
                 44.15 
                 O 
               
               
                 HETATM 
                 1848 
                 O 
                 HOH 
                   
                 103 
                 12.540 
                 26.873 
                 43.950 
                 1.00 
                 37.63 
                 O 
               
               
                 HETATM 
                 1849 
                 O 
                 HOH 
                   
                 104 
                 −7.868 
                 51.651 
                 24.151 
                 1.00 
                 52.45 
                 O 
               
               
                 HETATM 
                 1850 
                 O 
                 HOH 
                   
                 106 
                 9.349 
                 33.376 
                 38.461 
                 1.00 
                 31.86 
                 O 
               
               
                 HETATM 
                 1851 
                 O 
                 HOH 
                   
                 107 
                 −7.249 
                 56.630 
                 41.970 
                 1.00 
                 40.55 
                 O 
               
               
                 HETATM 
                 1852 
                 O 
                 HOH 
                   
                 108 
                 −5.184 
                 47.738 
                 27.394 
                 1.00 
                 59.47 
                 O 
               
               
                 HETATM 
                 1853 
                 O 
                 HOH 
                   
                 109 
                 13.089 
                 34.408 
                 37.600 
                 1.00 
                 44.84 
                 O 
               
               
                 HETATM 
                 1854 
                 O 
                 HOH 
                   
                 110 
                 0.705 
                 11.419 
                 30.955 
                 1.00 
                 36.41 
                 O 
               
               
                 HETATM 
                 1855 
                 O 
                 HOH 
                   
                 111 
                 −4.798 
                 14.017 
                 42.480 
                 1.00 
                 53.45 
                 O 
               
               
                 HETATM 
                 1856 
                 O 
                 HOH 
                   
                 112 
                 −4.843 
                 19.488 
                 39.633 
                 1.00 
                 40.43 
                 O 
               
               
                 HETATM 
                 1857 
                 O 
                 HOH 
                   
                 113 
                 −18.670 
                 51.048 
                 32.220 
                 1.00 
                 41.38 
                 O 
               
               
                 HETATM 
                 1858 
                 O 
                 HOH 
                   
                 114 
                 −12.102 
                 30.530 
                 38.025 
                 1.00 
                 47.93 
                 O 
               
               
                 HETATM 
                 1859 
                 O 
                 HOH 
                   
                 115 
                 −13.776 
                 27.216 
                 27.707 
                 1.00 
                 35.44 
                 O 
               
               
                 HETATM 
                 1860 
                 O 
                 HOH 
                   
                 116 
                 −2.334 
                 27.065 
                 44.853 
                 1.00 
                 44.72 
                 O 
               
               
                 HETATM 
                 1861 
                 O 
                 HOH 
                   
                 117 
                 2.870 
                 52.316 
                 40.206 
                 1.00 
                 46.36 
                 O 
               
               
                 HETATM 
                 1862 
                 O 
                 HOH 
                   
                 118 
                 −18.440 
                 40.445 
                 31.729 
                 1.00 
                 56.81 
                 O 
               
               
                 HETATM 
                 1863 
                 O 
                 HOH 
                   
                 119 
                 −6.962 
                 31.452 
                 48.249 
                 1.00 
                 54.20 
                 O 
               
               
                 HETATM 
                 1864 
                 O 
                 HOH 
                   
                 120 
                 −10.628 
                 27.328 
                 40.404 
                 1.00 
                 45.21 
                 O 
               
               
                 HETATM 
                 1865 
                 O 
                 HOH 
                   
                 122 
                 16.096 
                 24.639 
                 45.922 
                 1.00 
                 37.79 
                 O 
               
               
                 HETATM 
                 1866 
                 O 
                 HOH 
                   
                 123 
                 −0.872 
                 8.832 
                 43.975 
                 1.00 
                 49.75 
                 O 
               
               
                 HETATM 
                 1867 
                 O 
                 HOH 
                   
                 124 
                 −16.751 
                 49.961 
                 31.151 
                 1.00 
                 39.48 
                 O 
               
               
                 HETATM 
                 1868 
                 O 
                 HOH 
                   
                 126 
                 21.867 
                 21.890 
                 45.103 
                 1.00 
                 32.28 
                 O 
               
               
                 HETATM 
                 1869 
                 O 
                 HOH 
                   
                 127 
                 0.221 
                 23.594 
                 44.786 
                 1.00 
                 42.23 
                 O 
               
               
                 HETATM 
                 1870 
                 O 
                 HOH 
                   
                 129 
                 5.798 
                 20.569 
                 21.887 
                 1.00 
                 38.97 
                 O 
               
               
                 HETATM 
                 1871 
                 O 
                 HOH 
                   
                 130 
                 0.027 
                 33.658 
                 49.447 
                 1.00 
                 33.97 
                 O 
               
               
                 HETATM 
                 1872 
                 O 
                 HOH 
                   
                 131 
                 17.726 
                 22.984 
                 30.315 
                 1.00 
                 51.39 
                 O 
               
               
                 HETATM 
                 1873 
                 O 
                 HOH 
                   
                 133 
                 −7.039 
                 56.697 
                 37.326 
                 1.00 
                 46.16 
                 O 
               
               
                 HETATM 
                 1874 
                 O 
                 HOH 
                   
                 134 
                 −18.445 
                 35.870 
                 30.843 
                 1.00 
                 53.20 
                 O 
               
               
                 HETATM 
                 1875 
                 O 
                 HOH 
                   
                 135 
                 −1.408 
                 11.649 
                 29.254 
                 1.00 
                 40.99 
                 O 
               
               
                 HETATM 
                 1876 
                 O 
                 HOH 
                   
                 136 
                 4.882 
                 31.262 
                 20.482 
                 1.00 
                 36.08 
                 O 
               
               
                 HETATM 
                 1877 
                 O 
                 HOH 
                   
                 137 
                 −15.536 
                 34.962 
                 48.398 
                 1.00 
                 38.30 
                 O 
               
               
                 HETATM 
                 1878 
                 O 
                 HOH 
                   
                 138 
                 5.748 
                 22.881 
                 20.087 
                 1.00 
                 40.17 
                 O 
               
               
                 HETATM 
                 1879 
                 O 
                 HOH 
                   
                 139 
                 −8.361 
                 23.876 
                 24.021 
                 1.00 
                 38.36 
                 O 
               
               
                 HETATM 
                 1880 
                 O 
                 HOH 
                   
                 140 
                 −14.676 
                 29.695 
                 41.150 
                 1.00 
                 50.58 
                 O 
               
               
                 HETATM 
                 1881 
                 O 
                 HOH 
                   
                 141 
                 9.061 
                 41.220 
                 16.046 
                 1.00 
                 57.28 
                 O 
               
               
                 HETATM 
                 1882 
                 O 
                 HOH 
                   
                 142 
                 −1.839 
                 32.308 
                 19.350 
                 1.00 
                 52.87 
                 O 
               
               
                 HETATM 
                 1883 
                 O 
                 HOH 
                   
                 143 
                 −5.811 
                 50.543 
                 29.103 
                 1.00 
                 37.21 
                 O 
               
               
                 HETATM 
                 1884 
                 O 
                 HOH 
                   
                 144 
                 −12.815 
                 25.160 
                 26.023 
                 1.00 
                 46.91 
                 O 
               
               
                 HETATM 
                 1885 
                 O 
                 HOH 
                   
                 145 
                 8.064 
                 6.927 
                 44.309 
                 1.00 
                 47.85 
                 O 
               
               
                 HETATM 
                 1886 
                 O 
                 HOH 
                   
                 146 
                 −6.794 
                 49.781 
                 22.800 
                 1.00 
                 51.07 
                 O 
               
               
                 HETATM 
                 1887 
                 O 
                 HOH 
                   
                 147 
                 −10.949 
                 48.372 
                 24.823 
                 1.00 
                 52.18 
                 O 
               
               
                 HETATM 
                 1888 
                 O 
                 HOH 
                   
                 148 
                 −11.633 
                 30.356 
                 41.316 
                 1.00 
                 35.73 
                 O 
               
               
                 HETATM 
                 1889 
                 O 
                 HOH 
                   
                 150 
                 19.648 
                 17.166 
                 27.875 
                 1.00 
                 49.78 
                 O 
               
               
                 HETATM 
                 1890 
                 O 
                 HOH 
                   
                 152 
                 1.645 
                 8.928 
                 31.444 
                 1.00 
                 51.22 
                 O 
               
               
                 HETATM 
                 1891 
                 O 
                 HOH 
                   
                 153 
                 −2.974 
                 16.595 
                 45.799 
                 1.00 
                 47.36 
                 O 
               
               
                 HETATM 
                 1892 
                 O 
                 HOH 
                   
                 154 
                 4.114 
                 7.772 
                 39.862 
                 1.00 
                 44.72 
                 O 
               
               
                 HETATM 
                 1893 
                 O 
                 HOH 
                   
                 156 
                 11.495 
                 43.419 
                 29.767 
                 1.00 
                 39.89 
                 O 
               
               
                 HETATM 
                 1894 
                 O 
                 HOH 
                   
                 157 
                 14.755 
                 27.975 
                 19.472 
                 1.00 
                 47.52 
                 O 
               
               
                 HETATM 
                 1895 
                 O 
                 HOH 
                   
                 159 
                 20.000 
                 25.195 
                 44.085 
                 1.00 
                 56.30 
                 O 
               
               
                 HETATM 
                 1896 
                 O 
                 HOH 
                   
                 160 
                 −2.672 
                 23.925 
                 45.847 
                 1.00 
                 50.24 
                 O 
               
               
                 HETATM 
                 1897 
                 O 
                 HOH 
                   
                 161 
                 3.604 
                 50.595 
                 35.259 
                 1.00 
                 51.76 
                 O 
               
               
                 HETATM 
                 1898 
                 O 
                 HOH 
                   
                 162 
                 19.673 
                 24.416 
                 41.389 
                 1.00 
                 61.54 
                 O 
               
               
                 HETATM 
                 1899 
                 O 
                 HOH 
                   
                 163 
                 −6.458 
                 30.497 
                 20.646 
                 1.00 
                 45.53 
                 O 
               
               
                 HETATM 
                 1900 
                 O 
                 HOH 
                   
                 164 
                 −6.717 
                 60.196 
                 42.547 
                 1.00 
                 44.71 
                 O 
               
               
                 HETATM 
                 1901 
                 O 
                 HOH 
                   
                 166 
                 3.377 
                 39.489 
                 45.416 
                 1.00 
                 51.19 
                 O 
               
               
                 HETATM 
                 1902 
                 O 
                 HOH 
                   
                 168 
                 15.857 
                 6.255 
                 34.567 
                 1.00 
                 60.54 
                 O 
               
               
                 HETATM 
                 1903 
                 O 
                 HOH 
                   
                 169 
                 −4.347 
                 11.625 
                 25.428 
                 1.00 
                 48.48 
                 O 
               
               
                 HETATM 
                 1904 
                 O 
                 HOH 
                   
                 170 
                 −4.966 
                 56.028 
                 29.753 
                 1.00 
                 59.27 
                 O 
               
               
                 HETATM 
                 1905 
                 O 
                 HOH 
                   
                 172 
                 −3.276 
                 23.889 
                 48.407 
                 1.00 
                 63.97 
                 O 
               
               
                 HETATM 
                 1906 
                 O 
                 HOH 
                   
                 173 
                 16.051 
                 7.381 
                 41.619 
                 1.00 
                 46.25 
                 O 
               
               
                 HETATM 
                 1907 
                 O 
                 HOH 
                   
                 176 
                 10.033 
                 37.532 
                 40.812 
                 1.00 
                 47.17 
                 O 
               
               
                 HETATM 
                 1908 
                 O 
                 HOH 
                   
                 179 
                 −7.499 
                 54.256 
                 31.031 
                 1.00 
                 49.63 
                 O 
               
             
          
           
               
                 CONECT 
                 1700 
                 1701 
                   
                   
                   
                   
               
               
                 CONECT 
                 1701 
                 1700 
                 1702 
                 1704 
               
               
                 CONECT 
                 1702 
                 1701 
                 1703 
               
               
                 CONECT 
                 1703 
                 1702 
                 1706 
               
               
                 CONECT 
                 1704 
                 1701 
                 1705 
               
               
                 CONECT 
                 1705 
                 1704 
               
               
                 CONECT 
                 1706 
                 1703 
                 1707 
                 1708 
                 1709 
               
               
                 CONECT 
                 1707 
                 1706 
               
               
                 CONECT 
                 1708 
                 1706 
               
               
                 CONECT 
                 1709 
                 1706 
               
             
          
           
               
                 MASTER 
                 256 
                 0 
                 1 
                 11 
                 10 
                 0 
                 0 
                 6 1906 
                 2 
                 10 
                 18 
                   
               
               
                 END 
               
               
                   
               
             
          
         
       
     
       Peptide Library Screening 
       [0162]    One skilled in the art would be able to utilize a peptide library screen to identify peptides that bind to a BRCA1 tandem BRCT domain or other biologically relevant binding target. Peptides identified in such a screen, or related compounds, would have potential therapeutic benefit due to their ability to modulate the biological activity of BRCA1. 
         [0163]    Phosphoserine and phosphothreonine oriented degenerate peptide libraries consisting of the sequences Gly-Ala-X-X-X-B-(pSer/pThr)-Gln-J-X-X-X-Ala-Lys-Lys-Lys (SEQ ID NO.:44), Met-Ala-X-X-X-X-pThr-X-X-X-X-Ala-Lys-Lys-Lys (SEQ ID NO.: 45), and Met-Ala-X-X-X-XpSer-X-X-X-X-X-Ala-Lys-Lys-Lys (SEQ ID NO.: 46); where pS is phosphoserine, pT is phosphothreonine; and X denotes all amino acids except Cys. In the (pSer/pThr)-Gln library, B is a biased mixture of the amino acids A, I, L, M, N, P, S, T, V, and J represents a biased mixture of 25% E, 75% X, where X denotes all amino acids except Arg, Cys, H is, Lys. Peptides were synthesized using N-a-FMOC-protected amino acids and standard BOP/HOBt coupling chemistry. Peptide library screening was performed using 125 μl of glutathione beads containing saturating amounts of GST-PTIP BRCT or GST-BRCA1 BRCT domains (1-1.5 mg) as described by Yaffe and Cantley ( Methods Enzymol  328:157-70, 2000). Beads were packed in a 1 mL column and incubated with 0.45 mg of the peptide library mixture for 10 minutes at room temperature in PBS (150 mM NaCl, 3 mM KCl, 10 mM Na2HPO4, 2 mm KH2PO4, pH 7.6). Unbound peptides were removed from the column by two washes with PBS containing 1.0% NP-40 followed by two washes with PBS. Bound peptides were eluted with 30% acetic acid for 10 minutes at room temperature, lyophilized, resuspended in H2O, and sequenced by automated Edman degradation on a PROCISE protein microsequencer (Perkin-Elmer Corporation, Norwalk Conn.). Selectivity values for each amino acid were determined by comparing the relative abundance (mole percentage) of each amino acid at a particular sequencing cycle in the recovered peptides to that of each amino acid in the original peptide library mixture at the same position. 
       Prodrugs 
       [0164]    Disruption of the BRCA1-BACH1 interaction can be used to promote enhanced sensitivity of cells to chemotherapy and radiation treatment. The treatment, stabilization, or prevention of a disease or disorder associated with BRCA1 can be mediated by administering a compound, peptide, or nucleic acid molecule. In some cases, however, a compound that is effective in disrupting the BRCA1-BACH1 interaction in vitro is not an effective therapeutic agent in vivo. For example, this could be due to low bioavailability of the compound. One way to circumvent this difficulty is to administer a modified drug, or prodrug, with improved bioavailability that converts naturally to the original compound following administration. Such prodrugs must undergo transformation before exhibiting their full pharmacological effects. Prodrugs contain one or more specialized protective groups that are specifically designed to alter or to eliminate undesirable properties in the parent molecule. Once administered, a prodrug is metabolised in vivo into an active compound. 
         [0165]    Prodrugs may be useful for improving one or more of the following characteristics of a drug: solubility, absorption, distribution, metabolization, excretion, site specificity, stability, patient acceptability, reduced toxicity, or problems of formulation. For example, an active compound may have poor oral bioavailability, but by attaching an appropriately-chosen covalent linkage that is metabolized in the body, oral bioavailability may improve sufficiently to enable the prodrug to be administered orally without adversely affecting the parent compound&#39;s activity within the body. 
         [0166]    A prodrug may be carrier-linked, meaning that it contains a group such as an ester that can be removed enzymatically. Optimally, the additional chemical group has little or no pharmacologic activity, and the bond connecting this group to the parent compound is labile to allow for efficient in vivo activation. Such a carrier group may be linked directly to the parent compound (bipartate), or it may be bonded via a linker region (tripartate). Common examples of chemical groups attached to parent compounds to form prodrugs include esters, sulfates, phosphates, alcohols, amides, imines, phenyl carbamates, and carbonyls. 
         [0167]    As one example, methylprednisolone is a poorly water-soluble corticosteroid drug. In order to be useful for aqueous injection or ophthalmic administration, this drug must be converted into a prodrug of enhanced solubility. Methylprednisolone sodium succinate ester is much more soluble than the parent compound, and it is rapidly and extensively hydrolysed in vivo by cholinesterases to free methylprednisolone. 
         [0168]    Caged compounds may also be used as prodrugs. A caged compound has a photolyzable chemical groups attached that renders the compound biologically inactive. Flash photolysis releases the caging group (and activates the compound) in a spatially or temporally controlled manner. 
         [0169]    For further description of the design and use of prodrugs, see Testa and Mayer, Hydrolysis in Drug and Prodrug Metabolism: Chemistry, Biochemistry and Enzymology, published by Vch. Verlagsgesellschaft Mbh. (2003) 
       Peptidomimetics 
       [0170]    Peptide derivatives (e.g. peptidomimetics) include cyclic peptides, peptides obtained by substitution of a natural amino acid residue by the corresponding D-stereoisomer, or by a unnatural amino acid residue, chemical derivatives of the peptides, dual peptides, multimers of the peptides, and peptides fused to other proteins or carriers. A cyclic derivative of a peptide of the invention is one having two or more additional amino acid residues suitable for cyclization. These residues are often added at the carboxyl terminus and at the amino terminus. A peptide derivative may have one or more amino acid residues replaced by the corresponding D-amino acid residue. In one example, a peptide or peptide derivative of the invention is all-L, all-D, or a mixed D,L-peptide. In another example, an amino acid residue is replaced by a unnatural amino acid residue. Examples of unnatural or derivatized unnatural amino acids include Nα-methyl amino acids, Cα-methyl amino acids, and β-methyl amino acids. 
         [0171]    A chemical derivative of a peptide of the invention includes, but is not limited to, a derivative containing additional chemical moieties not normally a part of the peptide. Examples of such derivatives include: (a) N-acyl derivatives of the amino terminal or of another free amino group, where the acyl group may be either an alkanoyl group, e.g., acetyl, hexanoyl, octanoyl, an aroyl group, e.g., benzoyl, or a blocking group such as Fmoc (fluorenylmethyl-O—CO—), carbobenzoxy (benzyl-O—CO—), monomethoxysuccinyl, naphthyl-NH—CO—, acetylamino-caproyl, adamantyl-NH—CO—; (b) esters of the carboxyl terminal or of another free carboxyl or hydroxy groups; (c) amides of the carboxyl terminal or of another free carboxyl groups produced by reaction with ammonia or with a suitable amine; (d) glycosylated derivatives; (e) phosphorylated derivatives; (f) derivatives conjugated to lipophilic moieties, e.g., caproyl, lauryl, stearoyl; and (g) derivatives conjugated to an antibody or other biological ligand. Also included among the chemical derivatives are those derivatives obtained by modification of the peptide bond —CO—NH—, for example, by: (a) reduction to —CH 2 —NH—; (b) alkylation to —CO—N(alkyl)—; and (c) inversion to —NH—CO—. Peptidomimetics may also comprise phosphonate or sulfonate moieties. 
         [0172]    A dual peptide of the invention consists of two of the same, or two different, peptides of the invention covalently linked to one another, either directly or through a spacer. 
         [0173]    Multimers of the invention consist of polymer molecules formed from a number of the same or different peptides or derivatives thereof. 
         [0174]    In one example, a peptide derivative is more resistant to proteolytic degradation than the corresponding non-derivatized peptide. For example, a peptide derivative having D-amino acid substitution(s) in place of one or more L-amino acid residue(s) resists proteolytic cleavage. 
         [0175]    In another example, the peptide derivative has increased permeability across a cell membrane as compared to the corresponding non-derivatized peptide. For example, a peptide derivative may have a lipophilic moiety coupled at the amino terminus and/or carboxyl terminus and/or an internal site. Such derivatives are highly preferred when targeting intracellular protein-protein interactions, provided they retain the desired functional activity. 
         [0176]    In another example, a peptide derivative binds with increased affinity to a ligand (e.g., a tandem BRCT domain). 
         [0177]    The peptides or peptide derivatives of the invention are obtained by any method of peptide synthesis known to those skilled in the art, including synthetic and recombinant techniques. For example, the peptides or peptide derivatives can be obtained by solid phase peptide synthesis which, in brief, consists of coupling the carboxyl group of the C-terminal amino acid to a resin and successively adding N-alpha protected amino acids. The protecting groups may be any such groups known in the art. Before each new amino acid is added to the growing chain, the protecting group of the previous amino acid added to the chain is removed. The coupling of amino acids to appropriate resins has been described by Rivier et al. (U.S. Pat. No. 4,244,946). Such solid phase syntheses have been described, for example, by Merrifield,  J. Am. Chem. Soc.  85:2149, 1964; Vale et al.,  Science  213:1394-1397, 1984; Marki et al.,  J. Am. Chem. Soc.  10:3178, 1981, and in U.S. Pat. Nos. 4,305,872 and 4,316,891. In a preferred aspect, an automated peptide synthesizer is employed. 
         [0178]    Purification of the synthesized peptides or peptide derivatives is carried out by standard methods, including chromatography (e.g., ion exchange, affinity, and sizing column chromatography), centrifugation, differential solubility, hydrophobicity, or by any other standard technique for the purification of proteins. In one embodiment, thin layer chromatography is employed. In another embodiment, reverse phase HPLC (high performance liquid chromatography) is employed. 
         [0179]    Finally, structure-function relationships determined from the peptides, peptide derivatives, and other small molecules of the invention may also be used to prepare analogous molecular structures having similar properties. Thus, the invention is contemplated to include molecules in addition to those expressly disclosed that share the structure, hydrophobicity, charge characteristics and side chain properties of the specific embodiments exemplified herein. 
         [0180]    In one example, such derivatives or analogs that have the desired binding activity can be used for binding to a molecule or other target of interest, such as any tandem BRCT domain. Derivatives or analogs that retain, or alternatively lack or inhibit, a desired property-of-interest (e.g., inhibit tandem BRCT binding to a natural ligand), can be used to inhibit the biological activity of a tandem BRCT domain (e.g. from BRCA1 or PTIP). 
         [0181]    In particular, peptide derivatives are made by altering amino acid sequences by substitutions, additions, or deletions that provide for functionally equivalent molecules, or for functionally enhanced or diminished molecules, as desired. Due to the degeneracy of the genetic code, other nucleic acid sequences that encode substantially the same amino acid sequence may be used for the production of recombinant peptides. These include, but are not limited to, nucleotide sequences comprising all or portions of a peptide of the invention that is altered by the substitution of different codons that encode a functionally equivalent amino acid residue within the sequence, thus producing a silent change. 
         [0182]    The derivatives and analogs of the invention can be produced by various methods known in the art. The manipulations that result in their production can occur at the gene or protein level. For example, a cloned nucleic acid sequence can be modified by any of numerous strategies known in the art (Sambrook et al., 1989, Molecular Cloning,  A Laboratory Manual,  2d ed., Cold Spring Harbor Laboratory Press, Cold Spring Harbor, N.Y.). The sequence can be cleaved at appropriate sites with restriction endonuclease(s), followed by further enzymatic modification if desired, isolated, and ligated in vitro. 
       Modified Phosphopeptides 
       [0183]    A phosphopeptide of the invention may include, but it is not limited to, an unnatural N-terminal amino acid of the formula (III): 
         [0000]    
       
                 
         
             
             
         
       
     
         [0000]    where A 1  is an amino acid or peptide chain linked via an α-amino group; R 1  and R 3  are independently hydrogen, C 1-5  branched or linear C 1-5  alkyl, C 1-5  alkaryl, heteroaryl, and aryl, each of which are unsubstituted or substituted with a substitutent selected from: 1 to 3 of C 1-5  alkyl, 1 to 3 of halogen, 1 to 2 of —OR 5 , N(R 5 )(R 6 ), SR 5 , N—C(NR 5 )NR 6 R 7 , methylenedioxy, —S(O) m R 5 , 1 to 2 of —CF 3 , —OCF 3 , nitro, —N(R 5 )C(O)(R 6 ), —C(O)OR 5 , —C(O)N(R 5 )(R 6 ), -1H-tetrazol-5-yl, —SO 2 N(R 5 )(R 6 ), —N(R 5 )SO 2  aryl, or —N(R 5 )SO 2 R 6 ; R 5 , R 6  and R 7  are independently selected from hydrogen, C 1-5  linear or branched alkyl, C 1-5  alkaryl, aryl, heteroaryl, and C 3-7  cycloalkyl, and where two C 1-5  alkyl groups are present on one atom, they optionally are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; R 2  is hydrogen, F, C 1-5  linear or branched alkyl, C 1-5  alkaryl; or R 2  and R 1  are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur, or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl, or R 2  and R 3  are joined to form a C 3-8  cyclic ring, optionally substituted by hydroxyl and optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl; R 2  is hydrogen, F, C 1-5  linear or branched alkyl, C 1-5  alkaryl; and R 4  is hydrogen, C 1-5  branched or linear C 1-5  alkyl, C 1-5  alkaryl, heteroaryl, and aryl, each of which are unsubstituted or substituted with a substitutent selected from: 1 to 3 of C 1-5  alkyl, 1 to 3 of halogen, 1 to 2 of —OR 5 , N(R 5 )(R 6 ), N—C(NR 5 )NR 6 R 7 , methylenedioxy, —S(O) m R 5  (where m is 0-2), 1 to 2 of —CF 3 , —OCF 3 , nitro, —N(R 5 )C(O)(R 6 ), —N(R 5 )C(O)(OR 6 ), —C(O)OR 5 , —C(O)N(R 5 )(R 6 ), -1H-tetrazol-5-yl, —SO 2 N(R 5 )(R 6 ), —N(R 5 )SO 2  aryl, or —N(R 5 )SO 2 R 6 , R 5 , R 6  and R 7  are independently selected from hydrogen, C 1-5  linear or branched alkyl, C 1-5  alkaryl, aryl, heteroaryl, and C 3-7  cycloalkyl, and where two C 1-5  alkyl groups are present on one atom, they optionally are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl. 
         [0184]    The phosphopeptides of the invention may also include an unnatural internal amino acid of the formula: 
         [0000]    
       
                 
         
             
             
         
       
     
         [0000]    where A 2  is an amino acid or peptide chain linked via an α-carboxy group; A 1  is an amino acid or peptide chain linked via an α-amino group; R 1  and R 3  are independently hydrogen, C 1-5  branched or linear C 1-5  alkyl, C 1-5  alkaryl, heteroaryl, and aryl, each of which are unsubstituted or substituted with a substitutent selected from: 1 to 3 of C 1-5  alkyl, 1 to 3 of halogen, 1 to 2 of —OR 5 , N(R 5 )(R 6 ), SR 5 , N—C(NR 5 )NR 6 R 7 , methylenedioxy, —S(O) m R 5  (m is 1-2), 1 to 2 of —CF 3 , —OCF 3 , nitro, —N(R 5 )C(O)(R 6 ), —C(O)OR 5 , —C(O)N(R 5 )(R 6 ), -1H-tetrazol-5-yl, —SO 2 N(R 5 )(R 6 ), —N(R 5 )SO 2  aryl, or —N(R 5 )SO 2 R 6 ; R 5 , R 6  and R 7  are independently selected from hydrogen, C 1-5  linear or branched alkyl, C 1-5  alkaryl, aryl, heteroaryl, and C 3-7  cycloalkyl, and where two C 1-5  alkyl groups are present on one atom, they optionally are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; and R 2  is hydrogen, F, C 1-5  linear or branched alkyl, C 1-5  alkaryl; or R 2  and R 1  are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl, or R 2  and R 3  are joined to form a C 3-8  cyclic ring, optionally substituted by hydroxyl and optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl. 
         [0185]    The invention also includes modifications of the phosphopeptides of the invention, wherein an unnatural internal amino acid of the formula: 
         [0000]    
       
                 
         
             
             
         
       
     
         [0000]    is present, where A 2  is an amino acid or peptide chain linked via an α-carboxy group; A 1  is an amino acid or peptide chain linked via an α-amino group; R 1  and R 3  are independently hydrogen, C 1-5  branched or linear C 1-5  alkyl, and C 1-5  alkaryl; R 2  is hydrogen, F, C 1-5  linear or branched alkyl, C 1-5  alkaryl; or R 2  and R 1  are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; X is O or S; and R 5  and R 6  are independently selected from hydrogen, C 1-5  linear or branched alkyl, C 1-5  alkaryl, aryl, heteroaryl, and C 3-7  cycloalkyl, and where two C 1-5  alkyl groups are present on one atom, they optionally are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; or R 5  and R 6  are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl. 
         [0186]    The phosphopeptides of the invention may also include a C-terminal unnatural internal amino acid of the formula: 
         [0000]    
       
                 
         
             
             
         
       
     
         [0000]    where A 2  is an amino acid or peptide chain linked via an α-carboxy group; R 1  and R 3  are independently hydrogen, C 1-5  branched or linear C 1-5  alkyl, C 1-5  alkaryl, heteroaryl, and aryl, each of which are unsubstituted or substituted with a substitutent selected from: 1 to 3 of C 1-5  alkyl, 1 to 3 of halogen, 1 to 2 of —OR 5 , N(R 5 )(R 6 ), SR 5 , N—C(NR 5 )NR 6 R 7 , methylenedioxy, —S(O) m R 5 , 1 to 2 of —CF 3 , —OCF 3 , nitro, —N(R 5 )C(O)(R 6 ), —C(O)OR 5 , —C(O)N(R 5 )(R 6 ), -1H-tetrazol-5-yl, —SO 2 N(R 5 )(R 6 ), —N(R 5 )SO 2  aryl, or —N(R 5 )SO 2 R 6 ; R 5 , R 6  and R 7  are independently selected from hydrogen, C 1-5  linear or branched alkyl, C 1-5  alkaryl, aryl, heteroaryl, and C 3-7  cycloalkyl, and where two C 1-5  alkyl groups are present on one atom, they optionally are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; R 2  is hydrogen, F, C 1-5  linear or branched alkyl, C 1-5  alkaryl; or R 2  and R 1  are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; or R 2  and R 3  are joined to form a C 3-8  cyclic ring, optionally substituted by hydroxyl and optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl; R 2  is hydrogen, F, C 1-5  linear or branched alkyl, C 1-5  alkaryl; and Q is OH, OR 5 , or NR 5 R 6 , where R 5 , R 6  are independently selected from hydrogen, C 1-5  linear or branched alkyl, C 1-5  alkaryl, aryl, heteroaryl, and C 3-7  cycloalkyl, and where two C 1-5  alkyl groups are present on one atom, they optionally are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or NR 7 , where R 7  is hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl. Methods well known in the art for modifying peptides are found, for example, in “ Remington: The Science and Practice of Pharmacy ” (20th ed., ed. A. R. Gennaro, 2000, Lippincott Williams &amp; Wilkins, Philadelphia). 
       Therapeutic Uses 
       [0187]    Peptide Synthesis and Conjugation 
         [0188]    Phosphopeptides of the invention are prepared as detailed above. Alternatively, phosphopeptides can be prepared using standard FMOC chemistry on 2-chlorotrityl chloride resin (Int. J. Pept. Prot. Res. 38, 1991, 555-61). Cleavage from the resin is performed using 20% acetic acid in dichloromehane (DCM), which leaves the side chain still blocked. Free terminal carboxylate peptide is then coupled to 4′(aminomethy)-fluorescein (Molecular Probes, A-1351; Eugene, Oreg.) using excess diisopropylcarbodiimide (DIC) in dimethylformamide (DMF) at room temperature. The fluorescent N—C blocked peptide is purified by silica gel chromatography (10% methanol in DCM). The N terminal FMOC group is then removed using piperidine (20%) in DMF, and the N-free peptide, purified by silica gel chromatography (20% methanol in DCM, 0.5% HOAc). Finally, any t-butyl side chain protective groups are removed using 95% trifluoroacetic acid containing 2.5% water and 2.5% triisopropyl silane. The peptide obtained in such a manner should give a single peak by HPLC and is sufficiently pure for carrying on with the assay described below. 
         [0189]    Phosphopeptide Modifications 
         [0190]    It is understood that modifications can be made to the amino acid residues of the phosphopeptides of the invention, to enhance or prolong the therapeutic efficacy and/or bioavailability of the phosphopeptide. Accordingly, α-amino acids having the following general formula (I): 
         [0000]    
       
                 
         
             
             
         
       
     
         [0000]    where R defines the specific amino acid residue, may undergo various modifications. Exemplary modifications of α-amino acids, include, but are not limited to, the following formula (II): 
         [0000]    
       
                 
         
             
             
         
       
     
         [0000]    R 1 , R 2 , R 3 , R 4 , and R 5 , are independently hydrogen, hydroxy, nitro, halo, C 1-5  branched or linear alkyl, C 1-5  alkaryl, heteroaryl, and aryl; wherein the alkyl, alkaryl, heteroaryl, and aryl may be unsubstituted or substituted by one or more substituents selected from the group consisting of C 1-5  alkyl, hydroxy, halo, nitro, C 1-5  alkoxy, C 1-5  alkylthio, trihalomethyl, C 1-5  acyl, arylcarbonyl, heteroarylcarbonyl, nitrile, C 1-5  alkoxycarbonyl, oxo, arylalkyl (wherein the alkyl group has from 1 to 5 carbon atoms) and heteroarylalkyl (wherein the alkyl group has from 1 to 5-carbon atoms); alternatively, R 1  and R 2  are joined to form a C 3-8  cyclic ring, optionally including oxygen, sulfur or hydrogen, or C 1-5  alkyl, optionally substituted by hydroxyl; or R 2  and R 3  are joined to form a C 3-8  cyclic ring, optionally substituted by hydroxyl and optionally including oxygen, sulfur, C 1-5  aminoalkyl, or C 1-5  alkyl. Methods well known in the art for making modifications are found, for example, in “ Remington: The Science and Practice of Pharmacy ” (20th ed., ed. A. R. Gennaro, 2000, Lippincott Williams &amp; Wilkins), hereby incorporated by reference. 
       Assays and High Throughput Assays 
       [0191]    Fluorescence polarization assays can be used in displacement assays to identify small molecule peptidomimetics. The following is an exemplary method for use of fluorescence polarization, and should not be viewed as limiting in any way. For screening, all reagents are diluted at the appropriate concentration and the working solution, kept on ice. The working stock concentration for GST and GST fusion proteins are ˜4 ng/μL, Fluorescein-labeled phosphopeptides can be used at a concentration of 1.56 fmol/μL, while cold phosphopeptides and peptides at 25 μmol/μL. Samples are incubated at a total volume of 200 μL per well in black flat bottom plates, Biocoat, #359135 low binding (BD BioSciences; Bedford, Mass.). Assays are started with the successive addition using a Labsystem Multi-Drop 96/384 device (Labsystem; Franklin, Mass.) of 50 μL test compounds, diluted in 10% DMSO (average concentration of 28 μM), 50 μL of 50 mM MES-pH 6.5, 50 μL of Fluorescein-phosphopeptide, 50 μL of GST-BRCA1 tandem BRCT domain fusion, 50 μL of unlabeled phosphopeptide, or unphosphorylated peptide can be used as a negative control. Once added, all the plates are placed at 4° C. Following overnight incubation at 4° C., the fluorescence polarization is measured using a Polarion plate reader (Tecan, Research Triangle Park, N.C.). A xenon flash lamp equipped with an excitation filter of 485 nm and an emission filter of 535 nm. The number of flashes is set at 30. Raw data can then be converted into a percentage of total interaction(s). All further analysis can be performed using SPOTFIRE data analysis software (SPOTFIRE, Somerville, Mass.) 
         [0192]    Upon selection of active compounds, auto-fluorescence of the hits is measured as well as the fluorescein quenching effect, where a measurement of 2000 or more units indicates auto-fluorescence, while a measurement of 50 units indicates a quenching effect. Confirmed hits can then be analyzed in dose-response curves (IC 50 ) for reconfirmation. Best hits in dose-response curves can then be assessed by isothermal titration calorimetry using a GST-BRCA1 tandem BRCT domain fusion. 
         [0193]    Alternate Binding and Displacement Assays 
         [0194]    Fluorescence polarization assays are but one means to measure phosphopeptide-protein interactions in a screening strategy. Alternate methods for measuring phosphopeptide-protein interactions are known to the skilled artisan. Such methods include, but are not limited to mass spectrometry (Nelson and Krone, J. Mol. Recognit., 12:77-93, 1999), surface plasmon resonance (Spiga et al., FEBS Lett., 511:33-35, 2002; Rich and Mizka, J. Mol. Recognit., 14:223-8, 2001; Abrantes et al., Anal. Chem., 73:2828-35, 2001), fluorescence resonance energy transfer (FRET) (Bader et al., J. Biomol. Screen, 6:255-64, 2001; Song et al., Anal. Biochem. 291:133-41, 2001; Brockhoff et al., Cytometry, 44:338-48, 2001), bioluminescence resonance energy transfer (BRET) (Angers et al.,  Proc. Natl. Acad. Sci. USA,  97:3684-9, 2000; Xu et al.,  Proc. Natl. Acad. Sci. USA,  96:151-6, 1999), fluorescence quenching (Engelborghs,  Spectrochim. Acta A. Mol. Biomol. Spectrosc.,  57:2255-70, 70; Geoghegan et al.,  Bioconjug. Chem.  11:71-7, 2000), fluorescence activated cell scanning/sorting (Barth et al.,  J. Mol. Biol.,  301:751-7, 2000), ELISA, and radioimmunoassay (RIA). 
       Test Extracts and Compounds 
       [0195]    In general, peptidomimetic compounds that affect phosphopeptide-protein interactions are identified from large libraries of both natural products, synthetic (or semi-synthetic) extracts or chemical libraries, according to methods known in the art. 
         [0196]    Those skilled in the art will understand that the precise source of test extracts or compounds is not critical to the screening procedure(s) of the invention. Accordingly, virtually any number of chemical extracts or compounds can be screened using the exemplary methods described herein. Examples of such extracts or compounds include, but are not limited to, plant-, fungal-, prokaryotic- or animal-based extracts, fermentation broths, and synthetic compounds, as well as modifications of existing compounds. Numerous methods are also available for generating random or directed synthesis (e.g., semi-synthesis or total synthesis) of any number of chemical compounds, including, but not limited to, saccharide-, lipid-, peptide-, and nucleic acid-based compounds. Synthetic compound libraries are commercially available from, for example, Brandon Associates (Merrimack, N.H.) and Aldrich Chemical (Milwaukee, Wis.) 
         [0197]    Alternatively, libraries of natural compounds in the form of bacterial, fungal, plant, and animal extracts are commercially available from a number of sources, including, but not limited to, Biotics (Sussex, UK), Xenova (Slough, UK), Harbor Branch Oceangraphics Institute (Ft. Pierce, Fla.), and PharmaMar, U.S.A. (Cambridge, Mass.). In addition, natural and synthetically produced libraries are produced, if desired, according to methods known in the art (e.g., by combinatorial chemistry methods or standard extraction and fractionation methods). Furthermore, if desired, any library or compound may be readily modified using standard chemical, physical, or biochemical methods. 
       Administration of Therapeutic Compounds 
       [0198]    By selectively disrupting or preventing a phosphoprotein from binding to its natural partner(s) through its binding site, the phosphopeptides of the invention, or derivatives, or peptidomimetics thereof, can significantly alter the biological activity or the biological function of a tandem BRCT domain. Therefore, the phosphopeptides, or derivatives thereof, of the invention can be used for the treatment of a disease or disorder characterized by inappropriate cell cycle regulation or apoptosis. 
         [0199]    Diseases or disorders characterized by inappropriate cell cycle regulation, include hyperproliferative disorders, such as neoplasias. Examples of neoplasms include, without limitation, acoustic neuroma, acute leukemia, acute lymphocytic leukemia, acute monocytic leukemia, acute myeloblastic leukemia, acute myelocytic leukemia, acute myelomonocytic leukemia, acute promyelocytic leukemia, acute erythroleukemia, adenocarcinoma, angiosarcoma, astrocytoma, basal cell carcinoma, bile duct carcinoma, bladder carcinoma, brain cancer, breast cancer, bronchogenic carcinoma, cervical cancer, chondrosarcoma, chordoma, choriocarcinoma, chronic leukemia, chronic lymphocytic leukemia, chronic myelocytic leukemia, colon cancer, colon carcinoma, craniopharyngioma, cystadenocarcinoma, embryonal carcinoma, endotheliosarcoma, ependymoma, epithelial carcinoma, Ewing&#39;s tumor, glioma, heavy chain disease, hemangioblastoma, hepatoma, Hodgkin&#39;s disease, large cell carcinoma, leiomyosarcoma, liposarcoma, lung cancer, lung carcinoma, lymphangioendotheliosarcoma, lymphangiosarcoma, macroglobulinemia, medullary carcinoma, medulloblastoma, melanoma, meningioma, mesothelioma, myxosarcoma, neuroblastoma, non-Hodgkin&#39;s disease, oligodendriglioma, osteogenic sarcoma, ovarian cancer, pancreatic cancer, papillary adenocarcinomas, papillary carcinoma, pinealoma, polycythemia vera, prostate cancer, rhabdomyosarcoma, renal cell carcinoma, retinoblastoma, schwannoma, sebaceous gland carcinoma, seminoma, small cell lung carcinoma, squamous cell carcinoma, sweat gland carcinoma, synovioma, testicular cancer, uterine cancer, Waldenstrom&#39;s fibrosarcoma, and Wilm&#39;s tumor. 
         [0200]    A tandem BRCT domain-binding phosphopeptide or peptidomimetic small molecule may be administered within a pharmaceutically-acceptable diluent, carrier, or excipient, in unit dosage form. Conventional pharmaceutical practice may be employed to provide suitable formulations or compositions to administer the compounds to patients suffering from a disease that is caused by excessive cell proliferation. Administration may begin before the patient is symptomatic. Any appropriate route of administration may be employed, for example, administration may be parenteral, intravenous, intra-arterial, subcutaneous, intramuscular, intracranial, intraorbital, ophthalmic, intraventricular, intracapsular, intraspinal, intracisternal, intraperitoneal, intranasal, aerosol, suppository, or oral administration. For example, therapeutic formulations may be in the form of liquid solutions or suspensions; for oral administration, formulations may be in the form of tablets or capsules; and for intranasal formulations, in the form of powders, nasal drops, or aerosols. 
       Pharmaceutical Formulations 
       [0201]    The pharmaceutical compositions of the present invention are prepared in a manner known per se, for example by means of conventional dissolving, lyophilising, mixing, granulating or confectioning processes. Methods well known in the art for making formulations are found, for example, in “ Remington: The Science and Practice of Pharmacy ” (20th ed., ed. A. R. Gennaro, 2000, Lippincott Williams &amp; Wilkins, Philadelphia). 
         [0202]    Solutions of the active ingredient, and also suspensions, and especially isotonic aqueous solutions or suspensions, are preferably used, it being possible, for example in the case of lyophilized compositions that comprise the active ingredient alone or together with a carrier, for example mannitol, for such solutions or suspensions to be produced prior to use. The pharmaceutical compositions may be sterilized and/or may comprise excipients, for example preservatives, stabilisers, wetting and/or emulsifying agents, solubilisers, salts for regulating the osmotic pressure and/or buffers, and are prepared in a manner known per se, for example by means of conventional dissolving or lyophilising processes. The said solutions or suspensions may comprise viscosity-increasing substances, such as sodium carboxymethylcellulose, carboxymethylcellulose, dextran, poly vinylpyrrolidone or gelatin. 
         [0203]    Suspensions in oil comprise as the oil component the vegetable, synthetic or semi-synthetic oils customary for injection purposes. There may be mentioned as such especially liquid fatty acid esters that contain as the acid component a long-chained fatty acid having from 8 to 22, especially from 12 to 22, carbon atoms, for example lauric acid, tridecylic acid, myristic acid, pentadecylic acid, palmitic acid, margaric acid, stearic acid, arachidic acid, behenic acid or corresponding unsaturated acids, for example oleic acid, elaidic acid, erucic acid, brasidic acid or linoleic acid, if desired with the addition of anti oxidants, for example, vitamins E, β-carotene, or 3,5-di-tert-butyl-4-hydroxytoluene. The alcohol component of those fatty acid esters has a maximum of 6 carbon atoms and is a mono- or poly-hydroxy, for example a mono-, di- or tri-hydroxy, alcohol, for example methanol, ethanol, propanol, butanol or pentanol or the isomers thereof, but especially glycol and glycerol. The following examples of fatty acid esters are therefore to be mentioned: ethyl oleate, isopropyl myristate, isopropyl palmitate, “Labrafil M 2375” (poly oxyethylene glycerol trioleate, Gattefoss, Paris), “Miglyol 812” (triglyceride of saturated fatty acids with a chain length of C 8  to C 12 , Huls AG, Germany), but especially vegetable oils, such as cottonseed oil, almond oil, olive oil, castor oil, sesame oil, soybean oil and more especially groundnut oil. 
         [0204]    The injection compositions are prepared in customary manner under sterile conditions; the same applies also to introducing the compositions into ampoules or vials and sealing the containers. 
         [0205]    Pharmaceutical compositions for oral administration can be obtained by combining the active ingredient with solid carriers, if desired granulating a resulting mixture, and processing the mixture, if desired or necessary, after the addition of appropriate excipients, into tablets, drage cores or capsules. It is also possible for them to be incorporated into plastics carriers that allow the active ingredients to diffuse or be released in measured amounts. 
         [0206]    Suitable carriers are especially fillers, such as sugars, for example lactose, saccharose, mannitol or sorbitol, cellulose preparations and/or calcium phosphates, for example tricalcium phosphate or calcium hydrogen phosphate, and binders, such as starch pastes using for example corn, wheat, rice or potato starch, gelatin, tragacanth, methylcellulose, hydroxypropylmethylcellulose, sodium carboxymethylcellulose and/or polyvinyl-pyrrolidone, and/or, if desired, disintegrates, such as the above-mentioned starches, also carboxymethyl starch, crosslinked polyvinylpyrrolidone, agar, alginic acid or a salt thereof, such as sodium alginate. Excipients are especially flow conditioners and lubricants, for example silicic acid, talc, stearic acid or salts thereof, such as magnesium or calcium stearate, and/or polyethylene glycol. Drage cores are provided with suitable, optionally enteric, coatings, there being used, inter alia, concentrated sugar solutions which may comprise gum arabic, talc, polyvinylpyrrolidone, polyethylene glycol and/or titanium dioxide, or coating solutions in suitable organic solvents, or, for the preparation of enteric coatings, solutions of suitable cellulose preparations, such as ethylcellulose phthalate or hydroxypropylmethylcellulose phthalate. Capsules are dry-filled capsules made of gelatin and soft sealed capsules made of gelatin and a plasticiser, such as glycerol or sorbitol. The dry-filled capsules may comprise the active ingredient in the form of granules, for example with fillers, such as lactose, binders, such as starches, and/or glidants, such as talc or magnesium stearate, and if desired with stabilisers. In soft capsules the active ingredient is preferably dissolved or suspended in suitable oily excipients, such as fatty oils, paraffin oil or liquid polyethylene glycols, it being possible also for stabilisers and/or antibacterial agents to be added. Dyes or pigments may be added to the tablets or drage coatings or the capsule casings, for example for identification purposes or to indicate different doses of active ingredient. 
         [0207]    The pharmaceutical compositions comprise from approximately 1% to approximately 95%, preferably from approximately 20% to approximately 90%, active ingredient. Pharmaceutical compositions according to the invention may be, for example, in unit dose form, such as in the form of ampoules, vials, suppositories, drages, tablets or capsules. 
         [0208]    The formulations can be administered to human patients in a therapeutically effective amount (e.g., an amount that decreases, suppresses, attenuates, diminishes, arrests, or stabilizes the development or progression of a disease, disorder, or infection in a eukaryotic host organism). The preferred dosage of therapeutic agent to be administered is likely to depend on such variables as the type and extent of the disorder, the overall health status of the particular patient, the formulation of the compound excipients, and its route of administration. 
         [0209]    For any of the methods of application described above, a compound that interacts with a tandem BRCT domain may be applied to the site of the needed therapeutic event (for example, by injection), or to tissue in the vicinity of the predicted therapeutic event or to a blood vessel supplying the cells predicted to require enhanced therapy. 
         [0210]    The dosages of compounds that interact with a tandem BRCT domain depend on a number of factors, including the size and health of the individual patient, but, generally, between 0.1 mg and 1000 mg inclusive are administered per day to an adult in any pharmaceutically acceptable formulation. In addition, treatment by any of the approaches described herein may be combined with more traditional therapies. 
       Combination Therapy 
       [0211]    As described above, if desired, treatment with compounds that interact with a tandem BRCT domain may be combined with therapies for the treatment of proliferative disease, such as radiotherapy, surgery, or chemotherapy. Chemotherapeutic agents that may be administered with compounds that interact with a tandem BRCT domain are listed in Table 3. 
         [0000]    
       
         
               
               
               
             
               
             
               
               
             
           
               
                 TABLE 3 
               
               
                   
               
             
             
               
                 Alkylating agents 
                 cyclophosphamide 
                 lomustine 
               
               
                   
                 busulfan 
                 procarbazine 
               
               
                   
                 ifosfamide 
                 altretamine 
               
               
                   
                 melphalan 
                 estramustine phosphate 
               
               
                   
                 hexamethylmelamine 
                 mechlorethamine 
               
               
                   
                 thiotepa 
                 streptozocin 
               
               
                   
                 chlorambucil 
                 temozolomide 
               
               
                   
                 dacarbazine 
                 semustine. 
               
               
                   
                 carmustine 
               
               
                 Platinum agents 
                 cisplatin 
                 carboplatinum 
               
               
                   
                 oxaliplatin 
                 ZD-0473 (AnorMED) 
               
               
                   
                 spiroplatinum, 
                 lobaplatin (Aeterna) 
               
               
                   
                 carboxyphthalatoplatinum, 
                 satraplatin (Johnson Matthey) 
               
               
                   
                 tetraplatin 
                 BBR-3464 (Hoffmann-La Roche) 
               
               
                   
                 ormiplatin 
                 SM-11355 (Sumitomo) 
               
               
                   
                 iproplatin 
                 AP-5280 (Access) 
               
               
                 Antimetabolites 
                 azacytidine 
                 tomudex 
               
               
                   
                 gemcitabine 
                 trimetrexate 
               
               
                   
                 capecitabine 
                 deoxycoformycin 
               
               
                   
                 5-fluorouracil 
                 fludarabine 
               
               
                   
                 floxuridine 
                 pentostatin 
               
               
                   
                 2-chlorodeoxyadenosine 
                 raltitrexed 
               
               
                   
                 6-mercaptopurine 
                 hydroxyurea 
               
               
                   
                 6-thioguanine 
                 decitabine (SuperGen) 
               
               
                   
                 cytarabin 
                 clofarabine (Bioenvision) 
               
               
                   
                 2-fluorodeoxy cytidine 
                 irofulven (MGI Pharma) 
               
               
                   
                 methotrexate 
                 DMDC (Hoffmann-La Roche) 
               
               
                   
                 idatrexate 
                 ethynylcytidine (Taiho) 
               
               
                 Topoisomerase 
                 amsacrine 
                 rubitecan (SuperGen) 
               
               
                 inhibitors 
                 epirubicin 
                 exatecan mesylate (Daiichi) 
               
               
                   
                 etoposide 
                 quinamed (ChemGenex) 
               
               
                   
                 teniposide or mitoxantrone 
                 gimatecan (Sigma-Tau) 
               
               
                   
                 irinotecan (CPT-11) 
                 diflomotecan (Beaufour-Ipsen) 
               
               
                   
                 7-ethyl-10-hydroxy-camptothecin 
                 TAS-103 (Taiho) 
               
               
                   
                 topotecan 
                 elsamitrucin (Spectrum) 
               
               
                   
                 dexrazoxanet (TopoTarget) 
                 J-107088 (Merck &amp; Co) 
               
               
                   
                 pixantrone (Novuspharma) 
                 BNP-1350 (BioNumerik) 
               
               
                   
                 rebeccamycin analogue (Exelixis) 
                 CKD-602 (Chong Kun Dang) 
               
               
                   
                 BBR-3576 (Novuspharma) 
                 KW-2170 (Kyowa Hakko) 
               
               
                 Antitumor 
                 dactinomycin (actinomycin D) 
                 amonafide 
               
               
                 antibiotics 
                 doxorubicin (adriamycin) 
                 azonafide 
               
               
                   
                 deoxyrubicin 
                 anthrapyrazole 
               
               
                   
                 valrubicin 
                 oxantrazole 
               
               
                   
                 daunorubicin (daunomycin) 
                 losoxantrone 
               
               
                   
                 epirubicin 
                 bleomycin sulfate (blenoxane) 
               
               
                   
                 therarubicin 
                 bleomycinic acid 
               
               
                   
                 idarubicin 
                 bleomycin A 
               
               
                   
                 rubidazone 
                 bleomycin B 
               
               
                   
                 plicamycinp 
                 mitomycin C 
               
               
                   
                 porfiromycin 
                 MEN-10755 (Menarini) 
               
               
                   
                 cyanomorpholinodoxorubicin 
                 GPX-100 (Gem Pharmaceuticals) 
               
               
                   
                 mitoxantrone (novantrone) 
               
               
                 Antimitotic 
                 paclitaxel 
                 SB 408075 (GlaxoSmithKline) 
               
               
                 agents 
                 docetaxel 
                 E7010 (Abbott) 
               
               
                   
                 colchicine 
                 PG-TXL (Cell Therapeutics) 
               
               
                   
                 vinblastine 
                 IDN 5109 (Bayer) 
               
               
                   
                 vincristine 
                 A 105972 (Abbott) 
               
               
                   
                 vinorelbine 
                 A 204197 (Abbott) 
               
               
                   
                 vindesine 
                 LU 223651 (BASF) 
               
               
                   
                 dolastatin 10 (NCI) 
                 D 24851 (ASTAMedica) 
               
               
                   
                 rhizoxin (Fujisawa) 
                 ER-86526 (Eisai) 
               
               
                   
                 mivobulin (Warner-Lambert) 
                 combretastatin A4 (BMS) 
               
               
                   
                 cemadotin (BASF) 
                 isohomohalichondrin-B (PharmaMar) 
               
               
                   
                 RPR 109881A (Aventis) 
                 ZD 6126 (AstraZeneca) 
               
               
                   
                 TXD 258 (Aventis) 
                 PEG-paclitaxel (Enzon) 
               
               
                   
                 epothilone B (Novartis) 
                 AZ10992 (Asahi) 
               
               
                   
                 T 900607 (Tularik) 
                 IDN-5109 (Indena) 
               
               
                   
                 T 138067 (Tularik) 
                 AVLB (Prescient NeuroPharma) 
               
               
                   
                 cryptophycin 52 (Eli Lilly) 
                 azaepothilone B (BMS) 
               
               
                   
                 vinflunine (Fabre) 
                 BNP-7787 (BioNumerik) 
               
               
                   
                 auristatin PE (Teikoku Hormone) 
                 CA-4 prodrug (OXiGENE) 
               
               
                   
                 BMS 247550 (BMS) 
                 dolastatin-10 (NIH) 
               
               
                   
                 BMS 184476 (BMS) 
                 CA-4 (OXiGENE) 
               
               
                   
                 BMS 188797 (BMS) 
               
               
                   
                 taxoprexin (Protarga) 
               
               
                 Aromatase 
                 aminoglutethimide 
                 exemestane 
               
               
                 inhibitors 
                 letrozole 
                 atamestane (BioMedicines) 
               
               
                   
                 anastrazole 
                 YM-511 (Yamanouchi) 
               
               
                   
                 formestane 
               
               
                 Thymidylate 
                 pemetrexed (Eli Lilly) 
                 nolatrexed (Eximias) 
               
               
                 synthase inhibitors 
                 ZD-9331 (BTG) 
                 CoFactor ™ (BioKeys) 
               
               
                 DNA antagonists 
                 trabectedin (PharmaMar) 
                 mafosfamide (Baxter International) 
               
               
                   
                 glufosfamide (Baxter International) 
                 apaziquone (Spectrum Pharmaceuticals) 
               
               
                   
                 albumin + 32P (Isotope Solutions) 
                 O6 benzyl guanine (Paligent) 
               
               
                   
                 thymectacin (NewBiotics) 
               
               
                   
                 edotreotide (Novartis) 
               
               
                 Farnesyltransferase 
                 arglabin (NuOncology Labs) 
                 tipifarnib (Johnson &amp; Johnson) 
               
               
                 inhibitors 
                 lonafarnib (Schering-Plough) 
                 perillyl alcohol (DOR BioPharma) 
               
               
                   
                 BAY-43-9006 (Bayer) 
               
               
                 Pump inhibitors 
                 CBT-1 (CBA Pharma) 
                 zosuquidar trihydrochloride (Eli Lilly) 
               
               
                   
                 tariquidar (Xenova) 
                 biricodar dicitrate (Vertex) 
               
               
                   
                 MS-209 (Schering AG) 
               
               
                 Histone 
                 tacedinaline (Pfizer) 
                 pivaloyloxymethyl butyrate (Titan) 
               
               
                 acetyltransferase 
                 SAHA (Aton Pharma) 
                 depsipeptide (Fujisawa) 
               
               
                 inhibitors 
                 MS-275 (Schering AG) 
               
               
                 Metalloproteinase 
                 Neovastat (Aeterna Laboratories) 
                 CMT-3 (CollaGenex) 
               
               
                 inhibitors 
                 marimastat (British Biotech) 
                 BMS-275291 (Celltech) 
               
               
                 Ribonucleoside 
                 gallium maltolate (Titan) 
                 tezacitabine (Aventis) 
               
               
                 reductase inhibitors 
                 triapine (Vion) 
                 didox (Molecules for Health) 
               
               
                 TNF alpha 
                 virulizin (Lorus Therapeutics) 
                 revimid (Celgene) 
               
               
                 agonists/antagonists 
                 CDC-394 (Celgene) 
               
               
                 Endothelin A 
                 atrasentan (Abbott) 
                 YM-598 (Yamanouchi) 
               
               
                 receptor antagonist 
                 ZD-4054 (AstraZeneca) 
               
               
                 Retinoic acid 
                 fenretinide (Johnson &amp; Johnson) 
                 alitretinoin (Ligand) 
               
               
                 receptor agonists 
                 LGD-1550 (Ligand) 
               
               
                 Immuno- 
                 interferon 
                 dexosome therapy (Anosys) 
               
               
                 modulators 
                 oncophage (Antigenics) 
                 pentrix (Australian Cancer Technology) 
               
               
                   
                 GMK (Progenics) 
                 ISF-154 (Tragen) 
               
               
                   
                 adenocarcinoma vaccine (Biomira) 
                 cancer vaccine (Intercell) 
               
               
                   
                 CTP-37 (AVI BioPharma) 
                 norelin (Biostar) 
               
               
                   
                 IRX-2 (Immuno-Rx) 
                 BLP-25 (Biomira) 
               
               
                   
                 PEP-005 (Peplin Biotech) 
                 MGV (Progenics) 
               
               
                   
                 synchrovax vaccines (CTL Immuno) 
                 β-alethine (Dovetail) 
               
               
                   
                 melanoma vaccine (CTL Immuno) 
                 CLL therapy (Vasogen) 
               
               
                   
                 p21 RAS vaccine (GemVax) 
               
               
                 Hormonal and 
                 estrogens 
                 prednisone 
               
               
                 antihormonal 
                 conjugated estrogens 
                 methylprednisolone 
               
               
                 agents 
                 ethinyl estradiol 
                 prednisolone 
               
               
                   
                 chlortrianisen 
                 aminoglutethimide 
               
               
                   
                 idenestrol 
                 leuprolide 
               
               
                   
                 hydroxyprogesterone caproate 
                 goserelin 
               
               
                   
                 medroxyprogesterone 
                 leuporelin 
               
               
                   
                 testosterone 
                 bicalutamide 
               
               
                   
                 testosterone propionate; fluoxymesterone 
                 flutamide 
               
               
                   
                 methyltestosterone 
                 octreotide 
               
               
                   
                 diethylstilbestrol 
                 nilutamide 
               
               
                   
                 megestrol 
                 mitotane 
               
               
                   
                 tamoxifen 
                 P-04 (Novogen) 
               
               
                   
                 toremofine 
                 2-methoxyestradiol (EntreMed) 
               
               
                   
                 dexamethasone 
                 arzoxifene (Eli Lilly) 
               
               
                 Photodynamic 
                 talaporfin (Light Sciences) 
                 Pd-bacteriopheophorbide (Yeda) 
               
               
                 agents 
                 Theralux (Theratechnologies) 
                 lutetium texaphyrin (Pharmacyclics) 
               
               
                   
                 motexafin gadolinium (Pharmacyclics) 
                 hypericin 
               
               
                 Tyrosine Kinase 
                 imatinib (Novartis) 
                 kahalide F (PharmaMar) 
               
               
                 Inhibitors 
                 leflunomide (Sugen/Pharmacia) 
                 CEP-701 (Cephalon) 
               
               
                   
                 ZD1839 (AstraZeneca) 
                 CEP-751 (Cephalon) 
               
               
                   
                 erlotinib (Oncogene Science) 
                 MLN518 (Millenium) 
               
               
                   
                 canertinib (Pfizer) 
                 PKC412 (Novartis) 
               
               
                   
                 squalamine (Genaera) 
                 phenoxodiol ( ) 
               
               
                   
                 SU5416 (Pharmacia) 
                 trastuzumab (Genentech) 
               
               
                   
                 SU6668 (Pharmacia) 
                 C225 (ImClone) 
               
               
                   
                 ZD4190 (AstraZeneca) 
                 rhu-Mab (Genentech) 
               
               
                   
                 ZD6474 (AstraZeneca) 
                 MDX-H210 (Medarex) 
               
               
                   
                 vatalanib (Novartis) 
                 2C4 (Genentech) 
               
               
                   
                 PKI166 (Novartis) 
                 MDX-447 (Medarex) 
               
               
                   
                 GW2016 (GlaxoSmithKline) 
                 ABX-EGF (Abgenix) 
               
               
                   
                 EKB-509 (Wyeth) 
                 IMC-1C11 (ImClone) 
               
               
                   
                 EKB-569 (Wyeth) 
               
               
                   
               
             
          
           
               
                 Miscellaneous agents 
               
               
                   
               
             
          
           
               
                 SR-27897 (CCK A inhibitor, Sanofi-Synthelabo) 
                 BCX-1777 (PNP inhibitor, BioCryst) 
               
               
                 tocladesine (cyclic AMP agonist, Ribapharm) 
                 ranpirnase (ribonuclease stimulant, Alfacell) 
               
               
                 alvocidib (CDK inhibitor, Aventis) 
                 galarubicin (RNA synthesis inhibitor, Dong-A) 
               
               
                 CV-247 (COX-2 inhibitor, Ivy Medical) 
                 tirapazamine (reducing agent, SRI International) 
               
               
                 P54 (COX-2 inhibitor, Phytopharm) 
                 N-acetylcysteine (reducing agent, Zambon) 
               
               
                 CapCell ™ (CYP450 stimulant, Bavarian Nordic) 
                 R-flurbiprofen (NF-kappaB inhibitor, Encore) 
               
               
                 GCS-100 (gal3 antagonist, GlycoGenesys) 
                 3CPA (NF-kappaB inhibitor, Active Biotech) 
               
               
                 G17DT immunogen (gastrin inhibitor, Aphton) 
                 seocalcitol (vitamin D receptor agonist, Leo) 
               
               
                 efaproxiral (oxygenator, Allos Therapeutics) 
                 131-I-TM-601 (DNA antagonist, TransMolecular) 
               
               
                 PI-88 (heparanase inhibitor, Progen) 
                 eflornithine (ODC inhibitor, ILEX Oncology) 
               
               
                 tesmilifene (histamine antagonist, YM BioSciences) 
                 minodronic acid (osteoclast inhibitor, Yamanouchi) 
               
               
                 histamine (histamine H2 receptor agonist, Maxim) 
                 indisulam (p53 stimulant, Eisai) 
               
               
                 tiazofurin (IMPDH inhibitor, Ribapharm) 
                 aplidine (PPT inhibitor, PharmaMar) 
               
               
                 cilengitide (integrin antagonist, Merck KGaA) 
                 rituximab (CD20 antibody, Genentech) 
               
               
                 SR-31747 (IL-1 antagonist, Sanofi-Synthelabo) 
                 gemtuzumab (CD33 antibody, Wyeth Ayerst) 
               
               
                 CCI-779 (mTOR kinase inhibitor, Wyeth) 
                 PG2 (hematopoiesis enhancer, Pharmagenesis) 
               
               
                 exisulind (PDE V inhibitor, Cell Pathways) 
                 Immunol ™ (triclosan oral rinse, Endo) 
               
               
                 CP-461 (PDE V inhibitor, Cell Pathways) 
                 triacetyluridine (uridine prodrug, Wellstat) 
               
               
                 AG-2037 (GART inhibitor, Pfizer) 
                 SN-4071 (sarcoma agent, Signature BioScience) 
               
               
                 WX-UK1 (plasminogen activator inhibitor, Wilex) 
                 TransMID-107 ™ (immunotoxin, KS Biomedix) 
               
               
                 PBI-1402 (PMN stimulant, ProMetic LifeSciences) 
                 PCK-3145 (apoptosis promotor, Procyon) 
               
               
                 bortezomib (proteasome inhibitor, Millennium) 
                 doranidazole (apoptosis promotor, Pola) 
               
               
                 SRL-172 (T cell stimulant, SR Pharma) 
                 CHS-828 (cytotoxic agent, Leo) 
               
               
                 TLK-286 (glutathione S transferase inhibitor, Telik) 
                 trans-retinoic acid (differentiator, NIH) 
               
               
                 PT-100 (growth factor agonist, Point Therapeutics) 
                 MX6 (apoptosis promotor, MAXIA) 
               
               
                 midostaurin (PKC inhibitor, Novartis) 
                 apomine (apoptosis promotor, ILEX Oncology) 
               
               
                 bryostatin-1 (PKC stimulant, GPC Biotech) 
                 urocidin (apoptosis promotor, Bioniche) 
               
               
                 CDA-II (apoptosis promotor, Everlife) 
                 Ro-31-7453 (apoptosis promotor, La Roche) 
               
               
                 SDX-101 (apoptosis promotor, Salmedix) 
                 brostallicin (apoptosis promotor, Pharmacia) 
               
               
                 ceflatonin (apoptosis promotor, ChemGenex) 
               
               
                   
               
             
          
         
       
     
       Gene Therapy 
       [0212]    In another embodiment of the invention, the BRCA1 gene, or another gene encoding for a peptide of the invention, may be administered to a subject using gene therapy techniques. See, generally, Morgan et al., Ann. Rev. Biochem. 62:191-217, 1993; Culver et al., Trends Genet. 10:174-178, 1994; and U.S. Pat. No. 5,399,346 (French et al.). The general principle is to introduce the BRCA1 gene, for example, into a cancer cell in a patient, such that the BRCA1 gene is expressed and produces a BRCA1 polypeptide, or a biologically-active fragment thereof, that can supplement the activity of the endogenous, defective, or absent BRCA1 polypeptide. 
         [0213]    A desired mode of gene therapy is to provide the BRCA1 polynucleotide in such a way that it will replicate inside the cell, thereby enhancing and prolonging the interference effect. Thus, the BRCA1 polynucleotide can be operably linked to a suitable promoter, such as the natural promoter of the corresponding gene, a heterologous promoter that is intrinsically active in cancer cells, or a heterologous promoter that can be induced by a suitable agent. 
         [0214]    In another aspect of gene therapy according to the invention, a polynucleotide is introduced into a cancer cell such that the polynucleotide interferes with the expression of a BRCA1-related gene, for example, a gene involved in cell cycle regulation (e.g., cdk2). The administered polynucleotide blocks expression of the BRCA1-related gene by forming a complex with the BRCA1-related gene directly, or by complexing with the RNA transcribed from the BRCA1-related gene. Desirably, the construct is designed so that the polynucleotide sequence is complementary to the sequence of the BRCA1-related gene. Thus, once integrated into the cellular genome, the transcript of the administered polynucleotide will be complementary to the transcript of the BRCA1-related gene, and therefore, the polynucleotide will be capable of hybridizing with the BRCA1-related gene transcript. This approach is known as anti-sense therapy or RNAi. See, for example, Culver et al., supra; and Roth, Ann. Surg. Onco1.1:79-86, 1994. 
         [0215]    Exemplary disease targets include, but are not limited to, prostate cancer, ovarian cancer, colorectal cancer, stomach cancer, lung cancer, esophageal cancer, head cancer, neck cancer, bladder cancer, squamous cell cancer, breast cancer, cervical cancer, and endometrial cancer. 
         [0216]    For general reviews of the methods of gene therapy, see Goldspiel et al., Clinical Pharmacy 12:488-505, 1993; Wu and Wu, Biotherapy 3:87-95, 1991; Tolstoshev, Ann. Rev. Pharmacol. Toxicol. 32:573-596, 1993; Mulligan, Science 260:926-932, 1993; and Morgan and Anderson, supra. Methods commonly known in the art of recombinant DNA technology that can be used are described in Ausubel et al. supra; and Kriegler, 1990, Gene Transfer and Expression, A Laboratory Manual, Stockton Press, NY. 
         [0217]    It is envisioned that a patient that has been diagnosed with, or that has a propensity for developing, a cancer-related condition can be administered a BRCA1 gene, using a suitable method known in the art and as described herein, such that the BRCA1 gene is incorporated into one or more cells of the patient and is expressible by the cell(s) and/or progeny of the cell(s). The method can encompass in vivo administration of the BRCA1 gene in a suitable composition, or the method can involve ex vivo therapy in which one or more cells of the patient are removed, transformed with the BRCA1 gene, optionally expanded, and readministered to the patient. Expression of the BRCA1 gene in the transformed cells will reactivate BRCA1 activity in the patient, thereby promoting regulation of the cell cycle, as is discussed above, and therefore, inhibition of the cancer-related condition, thus leading to improvement of the diseased condition afflicting the patient. 
         [0218]    Transformation of a target cell with a BRCA1 nucleic acid molecule is facilitated by suitable techniques known in the art, such as providing the BRCA1 nucleic acid molecule in the form of a suitable vector, or encapsulation of the BRCA1 nucleic acid molecule in a liposome. The nucleic acid molecule may be provided to the cancer site by an antigen-specific homing mechanism, or by direct injection. In one approach, the nucleic acid molecule is operably linked to a promoter and is contained in an expression vector. In another approach, the nucleic acid molecule is contained in a recombinant viral vector, for example an adenoviral vector (see e.g., Kozarsky and Wilson, Current Opinion in Genetics and Development 3:499-503, 1993; Rosenfeld et al., Science 252:431-434, 1991; Rosenfeld et al., Cell 68:143-155, 1992; and Mastrangeli et al., J. Clin. Invest. 91:225-234, 1993), an adeno-associated viral vector (AAV; see, for example, Walsh et al., Proc. Soc. Exp. Biol. Med. 204:289-300, 1993), a lentiviral vector, a herpes viral vector, a retroviral vector (see, e.g., Miller et al., 1993, Meth. Enzymol. 217:581-599; Boesen et al., Biotherapy 6:291-302, 1994; Clowes et al., J. Clin. Invest. 93:644-651, 1994; Kiem et al., Blood 83:1467-1473, 1994; Salmons and Gunzberg, Human Gene Therapy 4:129-141, 1993; and Grossman and Wilson, Curr. Opin. in Genetics and Devel. 3:110-114, 1993), a pox virus vector, or a baculoviral vector. 
         [0219]    Non-viral vectors can also be used for gene therapy. For example, naked DNA can be delivered via liposomes, receptor-mediated delivery, calcium phosphate transfection, lipofection, electroporation, particle bombardment (gene gun), microinjection, cell fusion, chromosome-mediated gene transfer, microcell-mediated gene transfer, spheroplast fusion, or pressure-mediated gene delivery. Numerous techniques are known in the art for the introduction of foreign genes into cells (see, e.g., Loeffler and Behr, Meth. Enzymol. 217:599-618, 1993; Cohen et al., Meth. Enzymol. 217:618-644, 1993; Cline, Pharmac. Ther. 29:69-92, 1985), and may be used in accordance with the present invention, provided that the necessary developmental and physiological functions of the recipient cells are not disrupted. Usually, the method of transfer includes the transfer of a selectable marker to the cells. The cells are then placed under selection to isolate those cells that have taken up and are expressing the transferred gene. Those transformed cells are then delivered to a patient. The technique should provide for the stable transfer of the gene to the cell, so that the gene is expressible by the cell and preferably heritable and expressible by progeny of the cell. 
         [0220]    Preferably, a desired gene is introduced intracellularly and incorporated within the host precursor cell DNA for expression, by homologous recombination (see, e.g., Koller and Smithies, Proc. Natl. Acad. Sci. USA 86:8932-8935, 1989; Zijlstra et al., Nature 342:435-438, 1989). 
         [0221]    The vector containing the BRCA1 gene, or a fragment thereof, can be administered as is described above for the administration of a peptide agent or candidate compound of the invention, for example, to an artery at the site of a tumor or other cancerous cell. 
         [0222]    Various reports have been presented regarding the efficacy of gene therapy for the treatment of monogeneic diseases, early stage tumors, and cardiovascular disease. (See, e.g., Blaese et al., Science 270:475-480, 1995; Wingo et al., Cancer 82:1197-1207, 1998; Dzao, Keystone Symposium Molecular and Cellular Biology of Gene Therapy, Keystone, Co. Jan. 19-25, 1998; and Isner, Keystone Symposium Molecular and Cellular Biology of Gene Therapy, Keystone, Co. Jan. 19-25, 1998.) 
         [0223]    In a preferred embodiment, patients diagnosed with prostate cancer, ovarian cancer, colorectal cancer (e.g., colorectal adenocarcinoma), stomach cancer, lung cancer, esophageal cancer, head cancer, neck cancer, bladder cancer (e.g., bladder transitional cell carcinoma), squamous cell cancer, breast cancer, cervical cancer, or endometrial cancer can be treated using in vivo methods consisting of the administration of a recombinant retrovirus containing a BRCA1 cDNA under the control of a promoter (e.g., a prostate-, ovary-, colon-, stomach-, lung-, esophageal-, head-, neck-, bladder-, squamous cell-, breast-, cervical-, or endometrial-specific promoter) for expression in tumor cells. In vivo therapy involves transfection of a BRCA1 nucleic acid molecule directly into the cells of a patient without the need for prior removal of those cells from the patient. 
         [0224]    In vivo delivery is desirably accomplished by (1) infusing a recombinant retrovirus vector construct into a blood vessel that perfuses the tumor or (2) injecting a recombinant retrovirus vector construct directly into the tumor. In an especially desired in vivo embodiment, a catheter is inserted into a blood vessel in the neck of an organism and the tip of the indwelling catheter is advanced with fluoroscopic guidance to a position in an artery that perfuses a portion of the tumor. It is desired that the tip of an indwelling catheter be placed in proximity to an area of the tumor so that the cells can be directly targeted and transfected. The retroviral construct can also be directly targeted to cancer cells using cancer cell-specific surface antigens, although this is not required. The recombinant retrovirus is administered to patients desirably by means of intravenous administration in any suitable pharmacological composition, either as a bolus or as an infusion over a period of time. Injection of the recombinant retrovirus directly into the tumor, or into a blood vessel that perfuses the tumor will promote incorporation of the BRCA1 cDNA into tumor cells, thereby inhibiting cell growth of the tumor and preventing further tumor formation. 
         [0225]    After delivery of a recombinant retrovirus vector construct to the cells of the tumor, the cells are maintained under physiological conditions to allow sufficient time for the retrovirus vector construct to infect the cancer cells and for cellular expression of the BRCA1 polypeptide contained in that construct. A time period sufficient for expression of a BRCA1 polypeptide in a cancer cell varies as is well known in the art depending on the type of retrovirus vector used and the method of delivery. It should also be pointed out that because that the retrovirus vector employed may be replication defective, it may not be capable of replicating in the cells that are ultimately infected. 
         [0226]    A retrovirus vector construct is typically delivered in the form of a pharmacological composition that comprises a physiologically acceptable carrier and the retrovirus vector construct. An effective amount of a retrovirus vector construct is delivered, and consists of 1 pfu/cell, 5 pfu/cell, 10 pfu/cell, or 20 pfu/cell, or any other amount that is effective for promoting expression of a BRCA1 polypeptide in the target cancer cells. Means for determining an effective amount of a retrovirus vector construct are well known in the art. 
         [0227]    As is also well known in the art, a specific dose level for any particular subject depends upon a variety of factors including the infectivity of the retrovirus vector, the age, body weight, general health, sex, diet, time of administration, route of administration, rate of excretion, and the severity of the condition of the patient. 
         [0228]    Genes other than those encoding BRCA1, such as those encoding BRCA1-binding peptides of the invention (e.g. a gene encoding a BACH1 polypeptide), may alternatively be used in the foregoing methods of gene therapy. 
       INCORPORATION BY REFERENCE 
       [0229]    The following documents are incorporated by reference: 60/426,132, filed Nov. 14, 2002; 60/485,641, filed Jul. 8, 2003; 60/487,899, filed Jul. 17, 2003; and 10/713,978, filed Nov. 14, 2003. 
         [0230]    All patents and publications mentioned in this specification are hereby incorporated by reference to the same extent as if each independent publication or patent application was specifically and individually indicated to be incorporated by reference. 
       OTHER EMBODIMENTS 
       [0231]    From the foregoing description, it is apparent that variations and modifications may be made to the invention described herein to adopt it to various usages and conditions. Such embodiments are also within the scope of the following claims.