Title:
Three dimensional structures and models of Fc receptors and uses thereof
Kind Code:
A1


Abstract:
Disclosed are crystals, crystal structure FcγRIIa protein, three dimensional coordinates of FcγRIIa protein, and structures and models derived from the FcγRIIa structure. Also disclosed are crystals of FcεRI protein and three dimensional coordinates of FcεRI protein monomers and dimers derived from the FcγRIIa structure. Also disclosed are three dimensional coordinates of FcγRIIIb proteins and models of FcγRIIIb derived from the FcγRIIa structure. The present invention also includes methods to produce such crystals, crystal structures and models. Uses of such crystals, crystal structures and models are also disclosed, including structure based drug design and therapeutic compositions.



Inventors:
Hogarth, Mark P. (Williamstown, AU)
Powell, Maree S. (Ferntree Gully, AU)
Mckenzie, Ian F. C. (Brunswick, AU)
Maxwell, Kelly F. (South Yarra, AU)
Garrett, Thomas P. J. (Brunswick, AU)
Epa, Vidana (Parkville, AU)
Application Number:
10/687109
Publication Date:
03/18/2004
Filing Date:
10/15/2003
Assignee:
Ilexus Pty Limited
Primary Class:
Other Classes:
702/27, 703/11
International Classes:
C12N15/09; A61K31/711; A61K38/00; A61K45/00; A61P29/00; A61P37/02; A61P43/00; C07B61/00; C07K14/735; G06F17/30; G06F17/50; G06T17/40; (IPC1-7): G06F19/00; G01N33/48; G06G7/48
View Patent Images:



Primary Examiner:
BORIN, MICHAEL L
Attorney, Agent or Firm:
Sheridan Ross PC (1560 Broadway Suite 1200, Denver, CO, 80202, US)
Claims:

What is claimed is:



1. A model of an Fc receptor (FcR) protein, wherein said model represents a three dimensional structure that substantially conforms to the atomic coordinates of Table 1.

2. The model of claim 1, wherein said structure substantially conforms to the atomic coordinates and B-values represented by Table 1.

3. The model of claim 1, wherein said structure is monomeric.

4. The model of claim 1, wherein said structure is dimeric.

5. The model of claim 1, wherein said structure substantially conforms to the atomic coordinates of a table selected from the group consisting of Table 2, Table 3, Table 4 and Table 5.

6. The model of claim 1, wherein at least about 50% of said structure has an average root-mean-square deviation (RMSD) of less than about 1.5 Å for backbone atoms in secondary structure elements in each domain of said structure.

7. The model of claim 1, wherein at least about 50% of common amino acid side chains between said structure and a structure comprising said atomic coordinates have an average root-mean-square deviation (RMSD) of less than about 1.5 Å.

8. The model of claim 1, wherein said FcR protein comprises an amino acid sequence that is at least about 25% identical to an amino acid sequence selected from the group consisting of SEQ ID NO:3, SEQ ID NO:10, SEQ ID NO:11 and SEQ 5 ID NO:12.

9. The model of claim 1, wherein said FcR protein comprises an amino acid sequence that is at least about 40% identical to an amino acid sequence selected from the group consisting of SEQ ID NO:3, SEQ ID NO:10, SEQ ID NO:11 and SEQ ID NO:12.

10. The model of claim 1, wherein said FcR protein comprises an amino acid sequence that is at least about 60% identical to an amino acid sequence selected from the group consisting of SEQ ID NO:3, SEQ ID NO:10, SEQ ID NO:11 and SEQ ID NO:12.

11. The model of claim 1, wherein said FcR protein comprises an amino acid sequence selected from the group consisting of: SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, SEQ ID NO:13, a mutant of any of said amino acid sequences, and an allelic variant of any of said amino acid sequences.

12. The model of claim 1, wherein said FcR protein comprises an amino acid sequence selected from the group consisting of: an amino acid sequence selected from the group consisting of SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, SEQ ID NO:13; a mutant of SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12 or SEQ ID NO:13; and an allelic variant of SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12 or SEQ ID NO:13.

13. The model of claim 1, wherein said FcR protein is selected from the group consisting of FcγRI protein, FcγRIIa protein, FcγRIIb protein, FcγRIIc protein, FcγRIII protein, FcεRI protein, FcαRI protein and structural homologues of any of said FcR proteins.

14. The model of claim 1, wherein said FcR protein is selected from the group consisting of FcγRI protein, FcγRIIa protein, FcγRIIb protein, FcγRIIc protein, FcγRIII protein, FcεRI protein and FcαRI protein.

15. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcγRIIa protein monomer, an FcγRIIa protein dimer and structural homologues of said FcγRIIa proteins.

16. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcεRI protein dimer, an FcεRI protein monomer and structural homologues of said FcεRI proteins.

17. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcγRI protein dimer, an FcγRI protein monomer and structural homologues of said FcγRI protein.

18. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcγRIIb protein dimer, an FcγRIIb protein monomer and structural homologues of said FcγRIIb protein.

19. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcγRIIc protein dimer, an.FcγRIIc protein monomer and structural homologues of said FcγRIIc protein.

20. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcγRIIIb protein dimer, an FcγRIIIb protein monomer and structural homologues of said FcγRIIIb protein.

21. The model of claim 1, wherein said FcR protein is selected from the group consisting of an FcαRI protein dimer, an FcαRI protein monomer and structural homologues of said FcαRI protein.

22. The model of claim 1, wherein said atomic coordinates are generated by the method comprising: (a) providing an FcγRIIa protein in crystalline form; (b) generating an electron-density map of said crystalline FcγRIIa protein; and (c) analyzing said electron-density map to produce said atomic coordinates.

23. The model of claim 22, wherein said crystalline FcγRIIa protein is produced by a method comprising: combining FcγRIIa protein with a mother liquor buffer selected from the group consisting of an acetate salt buffer and a sulphate buffer, and inducing crystal formation to produce said crystalline FcγRIIa protein.

24. The model of claim 23, wherein said acetate buffer comprises about 200 mM ammonium acetate, about 100 mM sodium citrate and about 30% PEG 4000, said buffer having a pH of about 5.6.

25. The model of claim 23, wherein said sulphate buffer comprises about 0.1 M HEPES and about 1.5 M lithium sulphate, said buffer having a pH of about 7.5.

26. The model of claim 22, wherein said step of generating an electron-density map comprises analyzing said crystalline FcγRIIa protein by X-ray diffraction.

27. The model of claim 22, wherein said crystalline FcγRIIa protein is derivatized in Di-γ-iodo bis{ethylenediamine} di Platinum(II) nitrate prior to said X-ray diffraction.

28. The model of claim 22, wherein said crystalline FcγRIIa protein is derivatized in about 5 mM Di-γ-iodo bis[ethylenediamine] di Platinum(II) nitrate prior to said X-ray diffraction.

29. The model of claim 1, wherein said model is a computer image generated by a computer-readable medium encoded with a set of three dimensional coordinates of said three dimensional structure, wherein, using a graphical display software program, said three dimensional coordinates create an electronic file that can be visualized on a computer capable of representing said electronic file as a three dimensional image.

30. A computer-assisted method of structure based drug design of bioactive compounds, comprising: a. providing a model of an Fc receptor (FcR) protein, wherein said model represents a three dimensional structure that substantially conforms to the atomic coordinates of Table 1; b. designing a chemical compound using said model; and, c. chemically synthesizing said chemical compound.

31. The method of claim 30, wherein said method further comprises: d. evaluating the bioactivity of said synthesized chemical compound.

32. The method of claim 30, wherein said three dimensional structure comprises the atomic coordinates listed in Table 1.

33. The method of claim 30, wherein said three dimensional structure is dimeric.

34. The method of claim 30, wherein said three dimensional structure comprises the atomic coordinates listed in a table selected from the group consisting of Table 2, Table 3, Table 4, and Table 5.

35. The method of claim 30, wherein said model comprises a computer image generated when the atomic coordinates listed in Table 1 are analyzed on a computer using a graphical display software program to create an electronic file of said image and visualizing said electronic file on a computer capable of representing said electronic file as a three dimensional image.

36. The method of claim 30, wherein said step of designing comprises computational screening of one or more databases of chemical compounds in which the three dimensional structure of said compounds are known.

37. The method of claim 36, further comprising interacting a compound identified by said screening step with said model by computer.

38. The method of claim 30, wherein said step of designing comprises directed drug design.

39. The method of claim 30, wherein said step of designing comprises random drug design.

40. The method of claim 30, wherein said step of designing comprises grid-based drug design.

41. The method of claim 30, wherein said step of designing comprises selecting compounds which are predicted to mimic said three dimensional structure of said FcR protein.

42. The method of claim 30, wherein said step of designing comprises selecting compounds which are predicted to bind to said three dimensional structure of said FcR protein.

43. The method of claim 30, wherein said bioactivity is selected from the group consisting of inhibiting binding of said FcR protein to an immunoglobulin protein, binding to said FcR protein, binding to an immunoglobulin which is capable of binding to said FcR protein, inhibiting phagocytosis of said immunoglobulin protein, inhibiting dimerization of said FcR protein, stimulating cellular signal transduction though said FcR protein, and stimulating release of cytokines through said FcR protein.

44. The method of claim 30, wherein said FcR protein is FcγRIIa and said bioactivity is selected from the group consisting of inhibiting binding of FcγRIIa protein to IgG, inhibiting phagocytosis of IgG, inhibiting dimerzation of FcγRIIa protein, stimulating cellular signal transduction though an FcγRIIa protein, stimulating release of cytokines selected from the group consisting of IL-6 and IL-12.

45. The method of claim 30, wherein said FcR protein is FcγRIIIb and said bioactivity is selected from the group consisting of inhibiting binding of FcγRIIIb protein to IgG, inhibiting phagocytosis of IgG, inhibiting dimerzation of FcγRIIIb protein, stimulating cellular signal transduction though an FcγRIIIb protein, stimulating release of cytokines selected from the group consisting of IL-6 and IL-12.

46. The method of claim 30, wherein said FcR protein is FcεRI and said bioactivity is selected from the group consisting of inhibiting binding of FcεRI protein to IgE, inhibiting phagocytosis of IgE, inhibiting dimerzation of FcεRI protein, stimulating cellular signal transduction though an FcεRI protein, stimulating release of histamine and serotonin by mast cells and inhibiting release of histamine and serotonin by mast cells.

47. A computer-assisted method of structure based drug design of bioactive compounds, comprising: a. providing a model of an Fc receptor (FcR) protein, wherein said model represents a three dimensional structure that substantially conforms to the atomic coordinates selected from the group consisting of atomic coordinates represented by Table 1; atomic coordinates represented by Table 2; atomic coordinates represented by Table 3; atomic coordinates represented by Table 4; and atomic coordinates represented by Table 5; b. designing a chemical compound using said model; and, c. chemically synthesizing said chemical compound.

48. A computer-assisted method of structure based drug design of bioactive compounds, comprising: a. providing a model of a three dimensional structure of an Fc receptor (FcR) protein selected from the group consisting of FcγRIIa, FcγRIIIb and FcεRI; b. designing a chemical compound using said model; and, c. chemically synthesizing said chemical compound.

49. A three dimensional computer image of the three dimensional structure of an FcR protein.

50. The image of claim 49, wherein said structure substantially conforms with the three dimensional coordinates selected from the group consisting of the three dimensional coordinates listed in Table 1; the three dimensional 5 coordinates listed in Table 2; the three dimensional coordinates listed in Table 3; the three dimensional coordinates listed in Table 4; and the three dimensional coordinates listed in Table 5.

51. The image of claim 49, wherein said computer image is generated when a set of three dimensional coordinates comprising said three dimensional coordinates are analyzed on a computer using a graphical display software program to 5 create an electronic file of said image and visualizing said electronic file on a computer capable of representing electronic file as a three dimensional image.

52. The image of claim 49, wherein said three dimensional computer image is represented by a two dimensional image selected from the group consisting of FIG. 4, FIG. 6, FIG. 7, FIG. 8, FIG. 9, FIG. 10, FIG. 14, FIG. 15 and FIG. 16.

53. The image of claim 49, wherein said three dimensional computer image is used to design a therapeutic compound.

54. A computer-readable medium encoded with a set of three dimensional coordinates of an FcR protein having a three dimensional structure that substantially conforms to the atomic coordinates of Table 1, wherein, using a graphical display software program, said three dimensional coordinates create an electronic file that can be visualized on a computer capable of representing said electronic file as a three dimensional image.

55. A computer-readable medium encoded with a set of three dimensional coordinates selected from the group consisting of the three dimensional coordinates represented in Table 1, the three dimensional coordinates represented in Table 2, the three dimensional coordinates represented in Table 3, the three dimensional coordinates represented in Table 4, and the three dimensional coordinates represented in Table 5, wherein, using a graphical display software program, said three dimensional coordinates create an electronic file that can be visualized on a computer capable of representing said electronic file as a three dimensional image.

56. A model of the three dimensional structure of an FcR protein selected from the group consisting of FcγRI protein, FcγRIIb protein, FcγRIIc protein, FcγRIIIb protein, FcεRI protein and FcεRI protein, said model being produced by the method comprising: (a) providing an amino acid sequence of an FcγRIIa protein and an amino acid sequence of said FcR protein; (b) identifying structurally conserved regions shared between said FcγRIIa amino acid sequence and said FcR protein amino acid sequence; and (c) determining atomic coordinates for said FcR protein by assigning said structurally conserved regions of said FcR protein to a three dimensional structure using a three dimensional structure of said FcγRIIa protein which substantially conforms to the atomic coordinates represented in Table 1, to derive a model of said three dimensional structure of said FcR protein amino acid sequence.

57. The model of claim 56, wherein said FcγRI protein amino acid sequence comprises SEQ ID NO:7; wherein said FcγRIIb protein amino acid sequence comprises SEQ ID NO:5; wherein said FcγRIIc protein amino acid sequence comprises SEQ ID NO:6; wherein said FcγRIIIb protein amino acid sequence comprises SEQ ID NO:8; wherein said FcεRI protein amino acid sequence comprises SEQ ID NO:9; and wherein said FcαRI protein amino acid sequence comprises SEQ ID NO:13.

58. A therapeutic composition that, when administered to an animal, reduces IgG-mediated tissue damage, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an Fcγ receptor (FcγR) protein, said inhibitory compound being identified by the method comprising: (a) providing a three dimensional structure of an FcγR protein selected from the group consisting of FcγRI, FcγRIIa, FcγRIIb, FcγRIIc and FcγRIIIb, wherein said three dimensional structure of said FcγR protein substantially conforms to atomic coordinates represented by Table 1; (b) using said three dimensional structure of said FcγR protein to design a chemical compound selected from the group consisting of a compound that inhibits binding of FcγR protein to IgG, a compound that substantially mimics the three dimensional structure of FcγR protein and a compound that inhibits binding of FcγR protein with a molecule that stimulates cellular signal transduction through an FcγR protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce IgG-mediated tissue damage.

59. The composition of claim 58, wherein said IgG-mediated tissue damage results from a biological response selected from the group consisting of IgG-mediated hypersensitivity, IgG-mediated recruitment of inflammatory cells, and IgG-mediated release of inflammatory modulators.

60. The composition of claim 58, wherein said structure substantially conforms with the atomic coordinates represented in Table 1.

61. The composition of claim 58, wherein said chemical compound is selected from the group consisting of an inorganic compound and an organic compound.

62. The composition of claim 58, wherein said chemical compound is selected from the group consisting of oligonucleotides, peptides, peptidomimetic compounds and small organic molecules.

63. The composition of claim 58, wherein said chemical compound is selected from the group consisting of an analog of said FcγR protein, a substrate analog of said FcγR protein and a peptidomimetic compound of said FcγR protein.

64. The composition of claim 58, wherein said composition further comprises a component selected from the group consisting of an excipient, an adjuvant, and a carrier.

65. A therapeutic composition that, when administered to an animal, enhances IgG-mediated responses, said therapeutic composition comprising a stimulatory compound that stimulates the activity of an Fcγ receptor (FcγR) protein, said stimulatory compound being identified by the method comprising: (a) providing a three dimensional structure of an FcγR protein selected from the group consisting of FcγRI, FcγRIIa, FcγRIIb, FcγRIIc and FcγRIIIb, wherein said three dimensional structure of said FcγR protein substantially conforms to atomic coordinates represented by Table 1; (b) using said three dimensional structure of said FcγR protein to design a chemical compound selected from the group consisting of a compound that stimulates binding of FcγR protein to IgG, a compound that substantially mimics the three dimensional structure of FcγR protein and a compound that stimulates binding of FcγR protein with a molecule that stimulates cellular signal transduction through an FcγR protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to enhance IgG-mediated responses.

66. A therapeutic composition that, when administered to an animal, reduces IgE-mediated responses, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an Fcε receptor I (FcεRI) protein, said inhibitory compound being identified by the method comprising: (a) providing a three dimensional structure of an FcεRI protein, wherein said three dimensional structure of said FcεRI protein substantially conforms to the atomic coordinates selected from the group consisting of the atomic coordinates represented by Table 1, the atomic coordinates represented by Table 2, the atomic coordinates represented by Table 3, the atomic coordinates represented by Table 4 and the atomic coordinates represented by Table 5; (b) using said three dimensional structure of said FcεRI protein to design a chemical compound selected from the group consisting of a compound that inhibits binding of FcεRI protein to IgE, a compound that substantially mimics the three dimensional structure of FcεRI protein and a compound that inhibits binding of FcεRI protein with a molecule that stimulates cellular signal transduction through an FcεRI protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce IgE-mediated responses.

67. The composition of claim 66, wherein said IgE-mediated response results from a biological response selected from the group consisting of IgE-mediated hypersensitivity, IgE-mediated recruitment of inflammatory cells, and IgE-mediated release of inflammatory modulators.

68. The composition of claim 66, wherein said structure comprises the atomic coordinates represented in Table 3.

69. The composition of claim 66, wherein said structure comprises the atomic coordinates represented in Table 4.

70. The composition of claim 66, wherein said chemical compound is selected from the group consisting of an inorganic compound and an organic compound.

71. The composition of claim 66, wherein said chemical compound is selected from the group consisting of oligonucleotides, peptides, peptidomimetic compounds and small organic molecules.

72. The composition of claim 66, wherein said chemical compound is selected from the group consisting of an analog of said FcεR protein, a substrate analog of said FcεRI protein and a peptidomimetic compound of said FcεRI protein.

73. The composition of claim 66, wherein said composition further comprises a component selected from the group consisting of an excipient, an adjuvant, and a carrier.

74. A therapeutic composition that, when administered to an animal, enhances IgE-mediated responses, said therapeutic composition comprising a stimulatory compound that stimulates the activity of an Fcε receptor I (FcεRI) protein, said stimulatory compound being identified by the method comprising: (a) providing a three dimensional structure of an FcεRI protein, wherein said three dimensional structure of said FcεRI protein substantially conforms to the atomic coordinates selected from the group consisting of the atomic coordinates represented by Table 1, the atomic coordinates represented by Table 2, the atomic coordinates represented by Table 3, the atomic coordinates represented by Table 4 and the atomic coordinates represented by Table 5; (b) using said three dimensional structure of said FcεRI protein to design a chemical compound selected from the group consisting of a compound that stimulates binding of FcεRI protein to IgE, a compound that substantially mimics the three dimensional structure of FcεRI protein and a compound that stimulates binding of FcεRI protein with a molecule that stimulates cellular signal transduction through an FcεRI protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to enhance IgE-mediated responses.

75. A method to determine a three dimensional structure of an FcR protein, said method comprising (a) providing an amino acid sequence of an FcR protein selected from the group consisting of FcγRI protein, FcγRIIb protein, FcγRIIc protein, FcγRIIIb protein, FcεRI protein and FcαRI protein, wherein the three dimensional structure of said FcR protein is not known; (b) analyzing the pattern of folding of said amino acid sequence in a three dimensional conformation by fold recognition; and (c) comparing said pattern of folding of said FcR protein amino acid sequence with the three dimensional structure of FcγRIIa protein to determine the three dimensional structure of said FcR protein, wherein said three dimensional structure of said FcγRIIa protein substantially conforms to the atomic coordinates represented in Table 1.

76. A method to derive a model of the three dimensional structure of an FcR protein, said method comprising the steps of: (a) providing an amino acid sequence of an FcγRIIa protein and an amino acid sequence of an FcR protein; (b) identifying structurally conserved regions shared between said FcγRIIa amino acid sequence and said FcR protein amino acid sequence; (c) determining atomic coordinates for said target structure by assigning said structurally conserved regions of said FcR protein to a three dimensional structure using a three dimensional structure of an FcγRIIa protein based on atomic coordinates that substantially conform to the atomic coordinates represented in Table 1 to derive a model of the three dimensional structure of said FcR protein amino acid sequence.

77. The method of claim 76, further comprising assigning atomic coordinates for side chains of said FcR protein by determining sterically allowable positions using a library of rotamers.

78. A method to derive a three dimensional structure of a crystallized FcR protein, said method comprising the steps of: (a) comparing the Patterson function of a crystallized FcR protein with the Patterson function of crystalline FcγRIIa protein to produce an electron-density map of said crystallized FcR protein; and (b) analyzing said electron-density map to produce said three dimensional structure of said crystallized FcR protein.

79. The method of claim 78, further comprising the step of electronically simulating said three dimensional structure of said crystallized FcR protein to derive a computer image of said three dimensional structure of said crystallized FcR protein.

80. The method of claim 78, further comprising the step of rotating said Patterson function of said crystallized FcR protein on said Patterson function of said crystalline FcγRIIa protein to determine the correct orientation of said crystallized FcR protein in a crystal of said crystallized FcR protein to identify the initial phases of said crystallized FcR protein.

81. A composition comprising FcγRIIa protein in a crystalline form.

Description:

CROSS-REFERENCE TO RELATED APPLICATIONS

[0001] This application claims priority under 35 U.S.C. § 119(e) from U.S. Provisional Application No. 60/073,972, filed Feb. 6, 1998, entitled “CRYSTALS, CRYSTAL STRUCTURES OF FcγRIIa, AND USES THEREOF”. This application also claims priority under 35 U.S.C. § 119(e) from U.S. Provisional Application No. 60/099,994, filed Sep. 11, 1998, entitled “THREE DIMENSIONAL STRUCTURES AND MODELS OF Fc RECEPTORS AND USES THEREOF.” The entire disclosure of each of U.S. Provisional Application Nos. 60/073,972 and 60/099,994 is incorporated herein by reference.

FIELD OF THE INVENTION

[0002] The present invention relates to three dimensional structures of Fc receptors (FcR), including crystalline FcγRIIa, crystalline FcεRI, three dimensional coordinates of FcγRIIa protein, a three dimensional structure of FcγRIIa, three dimensional structures of FcR, and particularly FcεRI and FcγRIIIb, derived from the structure of FcγRIIa, models thereof, and uses of such structures and models.

BACKGROUND OF THE INVENTION

[0003] Fc receptors (FcR) are a family of highly related receptors that are specific for the Fc portion of immunoglobulin (Ig). These receptors have major roles in normal immunity and resistance to infection and provide the humoral immune system with a cellular effector arm. Receptors have been defined for each of the immunoglobulin classes and as such are defined by the class of Ig of which they bind (i.e. Fc gamma receptor (FcγR) bind gamma immunoglobulin (IgG), Fc epsilon receptor (FcεR) bind epsilon immunoglobulin (IgE), Fc alpha receptor (FcαR) bind alpha immunoglobulin (IgA)). Among the FcγR receptors, three subfamily members have been defined; FcγRI, which is a high a affinity receptor for IgG; FcγRII, which are low affinity receptors for IgG that avidly bind to aggregates immune complexes; and FcγRIII, which are low affinity receptors that bind to immune complexes. These receptors are highly related structurally but perform different functions. The structure and function of FcγRII is of interest because of its interaction with immune complexes and its association with disease.

[0004] FcγR are expressed on most hematopoietic cells, and through the binding of IgG play a key role in homeostasis of the immune system and host protection against infection. FcγRII is a low affinity receptor for IgG that essentially binds only to IgG immune complexes and is expressed on a variety of cell types including, for example monocytes, macrophages, neutrophils, eosinophils, platelets and B lymphocytes. FcγRII is involved in various immune and inflammatory responses including antibody-dependent cell-mediated cytotoxicity, clearance of immune complexes, release of inflammatory mediators and regulation of antibody production. The binding of IgG to an FcγR can lead to disease indications that involve regulation by FcγR. For example, the autoimmune disease thrombocytopenia purpura involves tissue (platelet) damage resulting from FcγR-dependent IgG immune complex activation of platelets or their destruction by FcγR+phagocytes. In addition, various inflammatory disease are known to involve IgG immune complexes (e.g. rheumatoid arthritis, systemic lupus erythematosus), including type II and type III hypersensitivity reactions. Type II and type III hypersensitivity reactions are mediated by IgG, which can activate either complement-mediated or phagocytic effector mechanisms, leading to tissue damage.

[0005] The elucidation of the protein structure of FcγRIIa, FcεRI, or indeed any FcR is of importance in the formulation of therapeutic and diagnostic reagents for disease management. Until the discovery of the present invention, the structure and resulting mechanism by which FcγRIIa regulates immune responses was unknown. Thus, despite the general multifunctional role of FcγRIIa, development of useful reagents for treatment or diagnosis of disease was hindered by lack of structural information of the receptor. The linear nucleic acid and amino acid sequence of FcγRIIa have been previously reported (Hibbs et al. Proc. Natl. Acad. Sci. USA, vol. 85, pp. 2240-2244, 1988). Mutagenesis studies to identify regions of human FcγRIIa (Hulett et al., Eur. J. Immunol., vol. 23, pp. 40-645, 1993; Hulett et al., J. Biol. Chem., vol. 69, pp. 15287-15293 1994; and Hulett et al., J. Biol. Chem., vol. 270, pp. 21188-21194, 1995), human FcγRIIIb (Hibbs et al., J. Immunol., vol. 152, p. 4466, 1994; and Tamm et al., J. Biol. Chem., vol. 271, p. 3659, 1996) and mouse FcγRI (Hulett et al., J. Immunol., vol. 148, pp. 1863-1868, 1991) have defined important regions of IgG binding to the FcγR. Information based on linear sequences, however, cannot accurately predict three dimensional structure of the protein and its functional domains. Huber et al. (J. Mol. Biol., vol. 230, pp. 1077-1083, 1993) have described crystal formation of neonatal rat Fc receptor protein (FcRn). Burmeister et al. (Nature, vol. 372, pp. 336-343, 1994; and Nature, vol. 372, pp. 379-383, 1994) have described the structure of FcRn crystals. FcRn, however, is closely related to major histocompatability protein complex and not related to the leukocyte FcγR family by function or structure. Thus, the protein structure of FcRn is not predictive of the FcR structure of the present invention.

[0006] FcεR are expressed on mast cells, and through the binding of IgE, trigger an inflammatory immune response which is primarily due to the release of inflammatory mediators upon degranulation of the mast cell (e.g., histamine and serotonin). Release of these mediators causes localized vascular permeability and increase in fluids in the local tissues, including an influx of polymorphonuclear cells into the site. Thus, binding of IgE to an FcεRI can lead to disease indications that involve discharge of fluids from the gut and increased mucus secretion and bronchial contraction, such indications typically being associated with diseases involving allergic inflammation. Therefore, the elucidation of protein structure of FcεRI is of importance in the formulation of therapeutic and diagnostic reagents for disease management, and in particular, for the management of diseases related to allergic inflammation and other Th2-based immune responses. As for the FcγR described above, the linear nucleic acid and amino acid sequences of human FcεRI have been previously reported (Kochan et al., 1998, Nuc. Acid. Res. 16:3584). Until the discovery of the present invention, however, the structure and resulting mechanism by which FcεR regulates immune responses was unknown. Thus, despite the knowledge of the general action of FcεRI, the development of useful reagents for treatment or diagnosis of disease, such as diseases associated with allergic inflammation, was hindered by lack of structural information of the receptor.

[0007] Therefore, there is a need in the art to elucidate the three dimensional structures and models of the Fc receptors, and to use such structures and models in therapeutic strategies, such as drug design.

SUMMARY OF THE INVENTION

[0008] The present invention relates to crystalline FcγRIIa and crystalline FcεRI, three dimensional coordinates of FcγRIIa protein, the three dimensional structure of FcγRIIa, three dimensional structures and models of Fc receptors (FcR) derived from the structure of FcγRIIa, including FcεRI and FcγRIIIb, and uses of such structures and models. Obtaining such crystals is an unexpected result. It is well known in the protein crystallographic art that obtaining crystals of quality sufficient for determining the structure of a protein is unpredictable. In particular, obtaining crystals of quality sufficient for determining the three dimensional (3-D) structure of FcγRIIa has not been achievable until the crystallization of FcγRIIa as disclosed in the present application. As such, determination of the three dimensional structure of FcγRIIa has not been possible until the discovery of the present invention. Additionally, until the discovery of the present invention, derivation of the three dimensional structure and models of other Fc receptor (FcR) proteins has not been possible. The present inventors are also the first to define the three dimensional structure and provide three dimensional models for drug design for FcεRI and FcγRIIIb.

[0009] Accordingly, one object of the present invention is to provide crystals of sufficient quality to obtain a determination of the three dimensional structure of FcγRIIa to high resolution, preferably to the resolution of about 1.8 angstrom. The present invention also includes methods for producing crystalline FcγRIIa.

[0010] Yet another object of the present invention is to provide crystals of FcεRI protein, preferably of sufficient quality to obtain a determination of the three dimensional structure of FcεRI to high resolution. The present invention also includes methods for producing crystalline FcεRI.

[0011] The value of the crystals of FcγRIIa and FcεRI extends beyond merely being able to obtain such crystals. The knowledge obtained concerning the FcγRIIa crystal structure, for example, has been used by the present inventors to define the heretofore unknown tertiary structure of the FcγRIIa protein, to model and derive atomic coordinates for the heretofore unknown tertiary structure of the FcεRI protein and the heretofore unknown tertiary structure of the FcγRIIIb protein, and can be additionally used to model the heretofore unknown tertiary structure of other FcR proteins having substantially related linear amino acid sequence, such as for other members of the FcγR protein family and the FcαRI protein. There are three members of the FcγR family of proteins, FcγRI, FcγRII and FcγRIII, all of which act as immunoregulatory molecules and all of which bind to IgG. Comparison of nucleic acid and amino acid sequences of the FcγR family of receptors indicates that the receptors are highly homologous. In addition, each member of the FcγR family of receptors belongs to the Ig super family of molecules, an assignment based on well established criteria (Hulett et al. 1994, ibid.). Moreover, FcγRII, FcγRIII, FcεRI and FcαRI each contain Ig-like domains, indicating the similarity between these receptors. FcγRI contains three Ig-like domains. The first and second domains, however, of FcγRI are substantially homologous to the Ig-like domains of FcγRII, FcγRIII, FcεRI and FcαRI. Current methods of tertiary structure determination that do not rely on x-ray diffraction techniques and thus do not require crystallization of the protein (e.g., computer modeling and nuclear magnetic resonance techniques) enable derivation and refinement of models of other FcγR proteins, FcεRI and FcαRI protein, extrapolated from a three dimensional structure of FcγRIIa protein. Thus, knowledge of the three dimensional structure of FcγRIIa protein has provided a starting point for investigation into the structure of all of these proteins.

[0012] Accordingly, a second object of the present invention is to provide information regarding the structure of FcγRIIa protein and models, atomic coordinates and derived three dimensional structures of other members of the FcγR family of proteins, FcεRI and FcαRI protein.

[0013] The knowledge of the three dimensional structure of FcγRIIa and models of other FcR provides a means for designing and producing compounds that regulate immune function and inflammation in an animal, including humans (i.e., structure based drug design). For example, chemical compounds can be designed to block binding of immunoglobulin to an Fc receptor protein using various computer programs and models.

[0014] Another embodiment of the present invention is to provide a three dimensional computer image of the three dimensional structure of an FcR.

[0015] Another embodiment of the present invention is to provide a computer-readable medium encoded with a set of three dimensional coordinates selected from the group of the three dimensional coordinates represented in Table 1, the three dimensional coordinates represented in Table 2, the three dimensional coordinates represented in Table 3, the three dimensional coordinates represented in Table 4, and the three dimensional coordinates represented in Table 5, wherein, using a graphical display software program, the three dimensional coordinates create an electronic file that can be visualized on a computer capable of representing said electronic file as a three dimensional image.

[0016] Accordingly, a third object of the present invention is to provide methods for using a three dimensional structure of FcR, such as FcγRIIa, and structures, coordinates and models derived using such structure, for designing reagents for the treatment and diagnosis of disease, such as by binding to or mimicking the action of FcR protein, binding to or mimicking the action of an immunoglobulin (Ig), disrupting cellular signal transduction through an FcR protein by, for example, preventing dimerization of two FcR proteins, or enhancing cellular signal transduction or binding to an FcR by, for example, enhancing dimerization of two FcR proteins.

[0017] The knowledge of the three dimensional structure of FcR also provides a means for designing proteins that have altered beneficial functions by analyzing the structure and interactions between individual amino acids of the protein. For example, therapeutic proteins having improved binding to Ig or immune complexes of Ig can be designed to be used as therapeutic compounds to prevent immune complex binding to cells or enhance biological responses such as cellular signal transduction upon binding of FcR to Ig or complexes thereof. Thus recombinant soluble FcR engineered to contain improvements can be produced on the basis of the knowledge of the three dimensional structure.

[0018] Accordingly, a fourth object of the present invention is to provide for an extrapolation of the three dimensional structure of FcR to create recombinant protein having altered biological activity.

[0019] One embodiment of the present invention is a model of an FcR protein, wherein the model represents the three dimensional structure of FcR protein, in which the structure substantially conforms to the atomic coordinates represented by Table 1. Other embodiments of the present invention are the three dimensional structure of an FcγRIIa protein which substantially conforms to the atomic coordinates represented by Table 1; the three dimensional structure of a dimeric FcγRIIa protein which substantially conforms to the atomic coordinates represented by Table 2; the three dimensional structure of a monomeric FcεRI protein which substantially conforms to the atomic coordinates represented by Table 3; the three dimensional structure of a dimeric FcεRI protein which substantially conforms to the atomic coordinates represented by Table 4; the three dimensional structure of a dimeric FcγRIIIb protein which substantially conforms to the atomic coordinates represented by Table 5 and models representing such structures. Further embodiments of the present invention relate to a set of three dimensional coordinates of an FcγRIIa protein, wherein said coordinates are represented in Table 1; a set of three dimensional coordinates of a dimeric FcγRIIa protein, wherein said coordinates are represented in Table 2; a set of three dimensional coordinates of an FcεRI protein, wherein said coordinates are represented in Table 3; a set of three dimensional coordinates of an FcεRI protein, wherein said coordinates are represented in Table 4; and a set of three dimensional coordinates of FcγRIIIb, wherein said coordinates are represented in Table 5. The present invention also includes methods to use such structures including structure based drug design and methods to derive models and images of target FcR structures.

[0020] Another embodiment of the present invention is a composition comprising FcγRIIa protein in a crystalline form. Yet another embodiment of the present invention is a composition comprising FcεRI protein in a crystalline form.

[0021] Yet another embodiment of the present invention is a method for producing crystals of FcγRIIa, comprising combining FcγRIIa protein with a mother liquor buffer selected from the group consisting of an acetate salt buffer and a sulphate buffer, and inducing crystal formation to produce said FcγRIIa crystals.

[0022] The present invention also includes a method for producing crystals of FcεRI, comprising combining FcεRI protein with a mother liquor buffer selected from the group consisting of an acetate salt buffer, a sodium cacodylate buffer and a sodium citrate buffer, and inducing crystal formation to produce said FcεRI crystals.

[0023] The present invention also includes a therapeutic composition that, when administered to an animal, reduces IgG-mediated tissue damage, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an FcγRIIa protein, said inhibitory compound being identified by the method comprising: (a) providing a three dimensional structure of an FcγRIIa protein; (b) using said three dimensional structure to design a chemical compound selected from the group consisting of a compound that inhibits binding of FcγRIIa protein to IgG, a compound that substantially mimics the three dimensional structure of FcγRIIa protein and a compound that inhibits binding of FcγRIIa protein with a molecule that stimulates cellular signal transduction through an FcγRIIa protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce IgG-mediated tissue damage.

[0024] Another embodiment of the present invention is a therapeutic composition that is capable of stimulating an IgG humoral immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that improves the therapeutic affects of an antibody that is administered to an animal to treat, by opsinization or FcγR-dependent effector functions (e.g. antibody-dependent FcγR-medicated cytotoxicity, phagocytosis or release of cellular mediators), a particular disease, including, but not limited to, cancer or infectious disease (e.g. oral infections such as HIV, herpes, bacterial infections, yeast infections or parasite infections). Such a therapeutic composition includes one or more stimulatory compounds that have increased binding to IgG, enhance binding of IgG to FcγR, enhance dimer formation of an FcγR and/or enhance signal transduction through the FcγR. Also included in the present invention is a method to stimulate a humoral immune response. The method includes the step of administering to an animal a therapeutic composition of the present invention.

[0025] The present invention also includes a therapeutic composition that, when administered to an animal, reduces IgG-mediated tissue damage, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an FcγRIIIb protein, said inhibitory compound being identified by the method comprising: (a) providing a three dimensional structure of an FcγRIIIb protein; (b) using said three dimensional structure to design a chemical compound selected from the group consisting of a compound that inhibits binding of FcγRIIIb protein to IgG, a compound that substantially mimics the three dimensional structure of FcγRIIIb protein and a compound that inhibits binding of FcγRIIIb protein with a molecule that stimulates cellular signal transduction through an FcγRIIIb protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce IgG-mediated tissue damage.

[0026] One embodiment of the present invention is a therapeutic composition that is capable of reducing IgE-mediated responses. Such therapeutic compositions are capable of reducing IgE-mediated responses resulting from IgE-mediated hypersensitivity, IgE-mediated release of inflammatory modulators or other biological mechanisms involved in IgE-mediated recruitment of inflammatory cells that involves FcεR protein. Such a therapeutic composition of the present invention can: (1) inhibit (i.e., prevent, block) binding of FcεR protein on a cell having an FcεR protein (e.g., mast cells) to an IgE immune complex by interfering with the IgE binding site of an FcεR protein; (2) inhibit precipitation of IgE or IgE immune complexes (i.e., prevent Fc:Fc interactions between two IgE); (3) inhibit immunoglobulin-mediated cellular signal transduction by interfering with the binding of an IgE to a cell surface receptor; and (4) inhibit FcεR-mediated cellular signal transduction by interfering with the binding of a cell signal inducing molecule (i.e., a molecule that induces cellular signal transduction through an FcεR protein) to an FcεR protein. Such therapeutic compositions include one or more inhibitory compounds that inhibit binding of IgE to FcεR protein, IgE to IgE, IgE to a cell surface receptor, or a cell signal inducing molecule to FcεR protein. Also included in the present invention are methods to reduce IgE-mediated responses, such as IgE-mediated inflammation.

[0027] Another embodiment of the present invention is a therapeutic composition that is capable of stimulating a IgE humoral immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that improves the therapeutic affects of an antibody that is administered to an animal to treat, by opsinization or FcεR-dependent effector functions (e.g. phagocytosis or release of cellular mediators), a particular disease. Such a therapeutic composition includes one or more stimulatory compounds that have increased binding to IgE, enhance binding of IgE to FcεRI, enhance dimer formation of FcεRI and/or otherwise enhance signal transduction through the FcεRI. Also included in the present invention is a method to stimulate a humoral immune response. The method includes the step of administering to an animal a therapeutic composition of the present invention.

BRIEF DESCRIPTION OF THE FIGURES

[0028] FIG. 1 is a scanned image of SDS-PAGE analysis of PsFcγRIIa protein during the purification process.

[0029] FIG. 2 is a scanned image of two-dimensional NEPHGE analysis of purified PsFcγRIIa protein.

[0030] FIG. 3 illustrates Langmuir plots of purified PsFcγRIIa protein binding to different isotypes of human immunoglobulin G.

[0031] FIG. 4 illustrates a graphical representation of the dimer of PFcγRIIa.

[0032] FIG. 5 illustrates the positions of the beta sheets in FcγRIIa Domains 1 and 2 and compares amino acid sequences of isomorphs of FcγRII.

[0033] FIG. 6 illustrates the stereo view of the FcγRIIa structure shown in FIG. 4.

[0034] FIG. 7 illustrates the location of amino acids involved in binding of FcγRIIa to IgG.

[0035] FIG. 8 illustrates an expanded view of an IgG binding region showing position and side chains of the involved amino acids.

[0036] FIG. 9 illustrates an expanded view of an IgG binding region showing amino acids which when mutated to alanine improves IgG binding to FcγRIIa.

[0037] FIG. 10 illustrates an expanded view of the region of one FcγRIIa monomer that contributes to the dimer interface.

[0038] FIG. 11 illustrates a comparison of the amino acid sequence of FcγRIIa protein with the amino acid sequences of FcγRI, FcγRIIIb and FcεRI protein.

[0039] FIG. 12 illustrates a comparison of structural features shared by FcγRIIa, FcγRI, FcγRIIIb and FcεRI proteins.

[0040] FIG. 13 illustrates a sequence alignment of the amino acid sequences of FcγRIIa and FcεRI.

[0041] FIG. 14 is a scanned image illustrating a worm representation of the structure of an FcεRI monomer.

[0042] FIG. 15 is a scanned image illustrating a worm representation of the structure of an FcεRI dimer.

[0043] FIG. 16 is a scanned image illustrating a molecular surface representation of an FcεRI dimer model.

[0044] FIG. 17 is a schematic representation of target sites in the FcR structure for drug design.

[0045] FIG. 18 illustrates a sequence alignment of the amino acid sequences of FcγRIIa and FcγRIIIb.

DETAILED DESCRIPTION OF THE INVENTION

[0046] The present invention relates to the discovery of the three-dimensional structure of Fc receptor (FcR) proteins, models of such three-dimensional structures, a method of structure based drug design using such structures, the compounds identified by such methods and the use of such compounds in therapeutic compositions. More particularly, the present invention relates to novel crystals of Fc gamma receptor IIa (FcγRIIa), novel crystals of Fc epsilon receptor I (FcεRI), methods of production of such crystals, three dimensional coordinates of FcγRIIa protein, a three dimensional structure of FcγRIIa protein, FcR structures and models derived from the FcγRIIa structure, including FcεRI and FcγRIIIb, and uses of such structure and models to derive other FcR structures and in drug design strategies. It is to be noted that the term “a” or “an” entity refers to one or more of that entity; for example, a compound refers to one or more compounds or at least one compound. As such, the terms “a” (or “an”), “one or more” and “at least one” can be used interchangeably herein. It is also to be noted that the terms “comprising”, “including”, and “having” can be used interchangeably. Furthermore, a compound “selected from the group consisting of” refers to one or more of the compounds in the list that follows, including mixtures (i.e., combinations) of two or more of the compounds. According to the present invention, an isolated, or pure, protein, is a protein that has been removed from its natural milieu. As such, “isolated” and “biologically pure” do not necessarily reflect the extent to which the protein has been purified. An isolated protein of the present invention can be obtained from its natural source, can be produced using recombinant DNA technology or can be produced by chemical synthesis. It is also to be noted that the terms “tertiary” and “three dimensional” can be used interchangeably. It is also to be noted that reference to an “FcR protein” can also be recited simply as “FcR” and such terms can be used to refer to a the complete FcR protein, a portion of the FcR protein, such as a polypeptide, and/or a monomer or a dimer of the FcR protein. When reference is specifically made to a monomer or dimer, for example, such term is typically used in conjunction with the FcR protein name.

[0047] The production of the crystal structure of FcγRIIa has been described in detail in U.S. Provisional Application Serial No. 60/073,972, filed Feb. 6, 1998. The entire disclosure of U.S. Provisional Application Serial No. 60/073,972 is incorporated herein by reference in its entirety.

[0048] One embodiment of the present invention includes a model of an Fc receptor, in which the model represents a three dimensional structure of an Fc receptor (FcR) protein. Another embodiment of the present invention includes the three dimensional structure of an FcR protein. A three dimensional structure of an FcR protein encompassed by the present invention substantially conforms with the atomic coordinates represented in any one of Tables 1-5. According to the present invention, the use of the term “substantially conforms” refers to at least a portion of a three dimensional structure of an FcR protein which is sufficiently spatially similar to at least a portion of a specified three dimensional configuration of a particular set of atomic coordinates (e.g., those represented by Table 1) to allow the three dimensional structure of the FcR protein to be modeled or calculated (i.e., by molecular replacement) using the particular set of atomic coordinates as a basis for determining the atomic coordinates defining the three dimensional configuration of the FcR protein. According to the present invention, a three dimensional structure of a dimer of a first FcR can substantially conform to the atomic coordinates which represent a three dimensional structure of a monomer of a second FcR, and vice versa. In the first instance, at least a portion of the structure of the first FcR protein (i.e., a monomer of the first FcR protein dimer) substantially conforms to the atomic coordinates which represent the three dimensional configuration of the second FcR monomer. In the second reversed case, a first monomeric FcR protein substantially conforms to at least a portion of the second FcR protein (i.e., a monomer of the second FcR protein dimer) Similarly, a three dimensional structure of a given portion or chain of a first FcR can substantially conform to at least a portion of the atomic coordinates which represent a three dimensional configuration of a second FcR.

[0049] More particularly, a structure that substantially conforms to a given set of atomic coordinates is a structure wherein at least about 50% of such structure has an average root-mean-square deviation (RMSD) of less than about 1.5 Å for the backbone atoms in secondary structure elements in each domain, and more preferably, less than about 1.3 Å for the backbone atoms in secondary structure elements in each domain, and, in increasing preference, less than about 1.0 Å, less than about 0.7 Å, less than about 0.5 Å, and most preferably, less than about 0.3 Å for the backbone atoms in secondary structure elements in each domain. In a more preferred embodiment, a structure that substantially conforms to a given set of atomic coordinates is a structure wherein at least about 75% of such structure has the recited average root-mean-square deviation (RMSD) value, and more preferably, at least about 90% of such structure has the recited average root-mean-square deviation (RMSD) value, and most preferably, about 100% of such structure has the recited average root-mean-square deviation (RMSD) value. In an even more preferred embodiment, the above definition of “substantially conforms” can be extended to include atoms of amino acid side chains. As used herein, the phrase “common amino acid side chains” refers to amino acid side chains that are common to both the structure which substantially conforms to a given set of atomic coordinates and the structure that is actually represented by such atomic coordinates. Preferably, a three dimensional structure that substantially conforms to a given set of atomic coordinates is a structure wherein at least about 50% of the common amino acid side chains have an average root-mean-square deviation (RMSD) of less than about 1.5 Å, and more preferably, less than about 1.3 Å, and, in increasing preference, less than about 1.0 Å, less than about 0.7 Å, less than about 0.5 Å, and most preferably, less than about 0.3 Å. In a more preferred embodiment, a structure that substantially conforms to a given set of atomic coordinates is a structure wherein at least about 75% of the common amino acid side chains have the recited average root-mean-square deviation (RMSD) value, and more preferably, at least about 90% of the common amino acid side chains have the recited average root-mean-square deviation (RMSD) value, and most preferably, about 100% of the common amino acid side chains have the recited average root-mean-square deviation (RMSD) value.

[0050] A three dimensional structure of an FcR protein which substantially conforms to a specified set of atomic coordinates can be modeled by a suitable modeling computer program such as MODELER (A. Sali and T. L. Blundell, J. Mol. Biol., vol. 234:779-815, 1993 as implemented in the Insight II Homology software package (Insight II (97.0), MSI, San Diego)), using information, for example, derived from the following data: (1) the amino acid sequence of the FcR protein; (2) the amino acid sequence of the related portion(s) of the protein represented by the specified set of atomic coordinates having a three dimensional configuration; and, (3) the atomic coordinates of the specified three dimensional configuration. A three dimensional structure of an FcR protein which substantially conforms to a specified set of atomic coordinates can also be calculated by a method such as molecular replacement, which is described in detail below.

[0051] A suitable three dimensional structure of an FcR protein for use in modeling or calculating the three dimensional structure of another FcR protein comprises the set of atomic coordinates represented in Table 1. The set of three dimensional coordinates set forth in Table 1 is represented in standard Protein Data Bank format. According to the present invention, an FcR protein selected from the group of FcγRI, FcγRIIa, FcγRIIb, FcγRIIc, FcγRIIIb, FcεRI and FcαRI have a three dimensional structure which substantially conforms to the set of atomic coordinates represented by Table 1. As used herein, a three dimensional structure can also be a most probable, or significant, fit with a set of atomic coordinates. According to the present invention, a most probable or significant fit refers to the fit that a particular FcR protein has with a set of atomic coordinates derived from that particular FcR protein. Such atomic coordinates can be derived, for example, from the crystal structure of the protein such as the coordinates determined for the FcγRIIa structure provided herein, or from a model of the structure of the protein as determined herein for FcεRI and FcγRIIIb. For example, the three dimensional structure of a monomeric FcγRIIa protein, including a naturally occurring or recombinantly produced FcγRIIa protein, substantially conforms to and is a most probable fit, or significant fit, with the atomic coordinates of Table 1. The three dimensional crystal structure of FcγRIIa that was determined by the present inventors comprises the atomic coordinates of Table 1. Also as an example, the three dimensional structure of an FcεRI protein substantially conforms to the atomic coordinates of Table 1 and both substantially conforms to and is a most probable fit with the atomic coordinates of Table 3, and the three dimensional structure of the model of FcεRI monomer determined by the present inventors comprises the atomic coordinates of Table 3. This definition can be applied to the other FcR proteins in a similar manner.

[0052] A preferred structure of an FcR protein according to the present invention substantially conforms to the atomic coordinates, and the B-values and/or the thermal parameters represented in Table 1. Such values as listed in Table 1 can be interpreted by one of skill in the art. A more preferred three dimensional structure of an FcR protein substantially conforms to the three dimensional coordinates represented in Table 1. An even more preferred three dimensional structure of an FcR protein is a most probable fit with the three dimensional coordinates represented in Table 1. Methods to determine a substantially conforming and probable fit are within the expertise of skill in the art and are described herein in the Examples section.

[0053] A preferred FcR protein that has a three dimensional structure which substantially conforms to the atomic coordinates represented by Table 1 includes an FcR protein having an amino acid sequence that is at least about 25%, preferably at least about 30%, more preferably at least about 40%, more preferably at least about 50%, more preferably at least about 60%, more preferably at least about 70%, more preferably at least about 80% and more preferably at least about 90%, identical to an amino acid sequence of an FcγRIIa protein, preferably an amino acid sequence including SEQ ID NO:3, SEQ ID NO:10, SEQ ID NO:11 and/or SEQ ID NO:12, across the full-length of the FcR sequence when using, for example, a sequence alignment program such as the DNAsis™ program (available from Hitachi Software, San Bruno, Calif.) or the MacVector™ program (available from the Eastman Kodak Company, New Haven, Conn.) or the GCγ™ program (available from “GCγ”, University of Wisconsin, Madison, Wis.), such alignment being performed for example, using the standard default values accompanying such alignment programs.

[0054] One embodiment of the present invention includes a three dimensional structure of FcγRIIa protein. A suitable three dimensional structure of FcγRIIa protein substantially conforms with the atomic coordinates represented in Table 1. A suitable three dimensional structure of FcγRIIa also substantially conforms with the atomic coordinates represented by Tables 2-5. A suitable three dimensional structure of FcγRIIa protein also comprises the set of atomic coordinates represented in Table 1. The set of three dimensional coordinates of FcγRIIa protein is represented in standard Protein Data Bank format. A preferred structure of FcγRIIa protein substantially conforms to the atomic coordinates, and the B-values and/or the thermal parameters represented in Table 1 (monomeric FcγRIIa) or Table 2 (dimeric FcγRIIa). Such values as listed in Table 1 can be interpreted by one of skill in the art. A more preferred three dimensional structure of FcγRIIa protein has a most probable fit with the three dimensional coordinates represented in Table 1.

[0055] One embodiment of the present invention includes a three dimensional structure of FcεRI protein. A suitable three dimensional structure of FcεRI protein substantially conforms with the atomic coordinates represented in Table 1, Table 2, Table 3, Table 4 or Table 5. A more suitable three dimensional structure of FcεRI protein substantially conforms with the sets of atomic coordinates represented in Table 3 (monomeric FcεRI) or Table 4 (dimeric FcεRI). A suitable three dimensional structure of FcεRI protein also comprises the set of atomic coordinates represented in Tables 3 or 4. The sets of three dimensional coordinates of FcεRI protein are represented in standard Protein Data Bank format. Such coordinates as listed in Tables 1-5 can be interpreted by one of skill in the art. A more preferred three dimensional structure of FcεRI protein has a probable fit with the three dimensional coordinates represented in Table 3 or Table 4.

[0056] One embodiment of the present invention includes a three dimensional structure of FcγRIIIb protein. A suitable three dimensional structure of FcγRIIIb protein substantially conforms with the atomic coordinates represented in Table 1, Table 2, Table 3, Table 4 or Table 5. An even more suitable three dimensional structure of FcγRIIIb protein substantially conforms with the set of atomic coordinates represented in Table 5. A suitable three dimensional structure of FcγRIIIb protein also comprises the set of atomic coordinates represented in Table 5. The sets of three dimensional coordinates of FcγRIIIb protein are represented in standard Protein Data Bank format. A more preferred three dimensional structure of FcγRIIIb protein has a most probable fit with the three dimensional coordinates represented in Table 5.

[0057] A three dimensional structure of any FcR protein can be modeled using methods generally known in the art based on information obtained from analysis of an FcγRIIa crystal, and from other FcR structures which are derived from an FcγRIIa crystal. The Examples section below discloses the production of an FcγRIIa crystal, the production of an FcεRI crystal, the three dimensional structure of an FcγRIIa protein monomer and dimer derived from the FcγRIIa crystal, and the model of the three dimensional structure of an FcεRI protein monomer and dimer using methods generally known in the art based on the information obtained from analysis of an FcγRIIa crystal. It is an embodiment of the present invention that the three dimensional structure of a crystalline FcR, such as the crystalline FcγRIIa, can be used to derive the three dimensional structure of any other FcR, such as the FcεRI disclosed herein. Subsequently, the derived three dimensional structure of such an FcR (e.g., FcεRI) derived from the crystalline structure of FcγRIIa can be used to derive the three dimensional structure of other FcR, such as FcRγIII. Therefore, the novel discovery herein of the crystalline FcγRIIa and the three dimensional structure of FcγRIIa permits one of ordinary skill in the art to now derive the three dimensional structure, and models thereof, of any FcR. The derivation of the structure of any FcR can now be achieved even in the absence of having crystal structure data for such other FcR, and when the crystal structure of another FcR is available, the modeling of the three dimensional structure of the new FcR can be refined using the knowledge already gained from the FcγRIIa structure. It is an advantage of the present invention that, in the absence of crystal structure data for other FcR proteins, the three dimensional structures of other FcR proteins can be modeled, taking into account differences in the amino acid sequence of the other FcR. Indeed, the recent report of the crystallization of the monomeric FcεRI and publication of a model of the receptor (Garman et al., Dec. 23, 1998, Cell 95:951-961) subsequent to the priority filing dates of the present application has confirmed that the monomeric FcεRI protein determined by the present inventors comprising the atomic coordinates represented in Table 3 has the overall gross structural features of the three dimensional structure of the crystalline FcεRI reported in Garman et al. Although the atomic coordinates of the crystalline FcεRI structure of Garman et al. are not currently publicly available, a review of the structural representations and discussion in Garman et al. indicates that the three dimensional structure of the crystalline FcεRI is expected to substantially conform to the atomic coordinates represented by Table 3. Moreover, the novel discoveries of the present invention allow for structure based drug design of compounds which affect the activity of virtually any FcR, and particularly, of FcγR and FcεRI.

[0058] Crystals are derivatized with heavy atom compounds such as complexes or salts of Pt, Hg, Au and Pb and X-ray diffraction data are measured for native and derivatized crystals. Differences in diffraction intensities for native crystals and derivatized crystals can be used to determine phases for these data by the methods of MIR (muliple Isomorphous Replacement) or SIRAS (single isomorphous replacement with anomalous scattering). The Fourier transform of these data yield a low resolution electron density map for the protein. This electron density can be modified by image enhancement techniques. A molecular model for the protein is then placed in the electron density. This initial (partial) structure can be refined using a computer program (such as XPLOR) by modifying the parameters which describe the structure to minimize the difference between the measured and calculated diffraction patterns, while simultaneously restraining the model to conform to known geometric and chemical properties of proteins. New phases and a thus a new electron density map can be calculated for protein. Using this map as a guide the molecular model of the structure may be improved manually. This procedure is repeated to give the structure of the protein, represented herein for FcγRIIa as a set of atomic coordinates in Table 1.

[0059] One embodiment of the present invention includes a three dimensional structure of FcγRIIa protein, in which the atomic coordinates of the FcγRIIa protein are generated by the method comprising: (a) providing FcγRIIa protein in crystalline form; (b) generating an electron-density map of the crystalline FcγRIIa protein; and (c) analyzing the electron-density map to produce the atomic coordinates.

[0060] According to the present invention, a three dimensional structure of FcγRIIa protein of the present invention can be used to derive a model of the three dimensional structure of another FcR protein (i.e., a structure to be modeled). As used herein, a “structure” of a protein refers to the components and the manner of arrangement of the components to constitute the protein. As used herein, the term “model” refers to a representation in a tangible medium of the three dimensional structure of a protein, polypeptide or peptide. For example, a model can be a representation of the three dimensional structure in an electronic file, on a computer screen, on a piece of paper (i.e., on a two dimensional medium), and/or as a ball-and-stick figure. Physical three-dimensional models are tangible and include, but are not limited to, stick models and space-filling models. The phrase “imaging the model on a computer screen” refers to the ability to express (or represent) and manipulate the model on a computer screen using appropriate computer hardware and software technology known to those skilled in the art. Such technology is available from a variety of sources including, for example, Evans and Sutherland, Salt Lake City, Utah, and Biosym Technologies, San Diego, Calif. The phrase “providing a picture of the model” refers to the ability to generate a “hard copy” of the model. Hard copies include both motion and still pictures. Computer screen images and pictures of the model can be visualized in a number of formats including space-filling representations, α carbon traces, ribbon diagrams (see, for example, FIG. 14 which is a two dimensional ribbon diagram model of a three-dimensional structure of human FcεRI protein) and electron density maps.

[0061] Suitable target FcR structures to model using a method of the present invention include any FcR protein, polypeptide or peptide, including monomers, dimers and multimers of an FcR protein, that is substantially structurally related to an FcγRIIa protein. A preferred target FcR structure that is substantially structurally related to an FcγRIIa protein includes a target FcR structure having an amino acid sequence that is at least about 25%, preferably at least about 30%, more preferably at least about 36%, more preferably at least about 40%, more preferably at least about 50%, more preferably at least about 60%, more preferably at least about 70%, more preferably at least about 80% and more preferably at least about 90%, identical to an amino acid sequence of an FcγRIIa protein, preferably an amino acid sequence including SEQ ID NO:3, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, SEQ ID NO:14 and/or SEQ ID NO:15, across the full-length of the target FcR structure sequence when using, for example, a sequence alignment program such as the DNAsis™ program (available from Hitachi Software, San Bruno, Calif.) or the MacVector™ program (available from the Eastman Kodak Company, New Haven, Conn.) or the GCγ™ program (available from “GCγ”, University of Wisconsin, Madison, Wis.), such alignment being performed for example, using the standard default values accompanying such alignment programs. More preferred target FcR structures to model include proteins comprising amino acid sequences that are at least about 50%, preferably at least about 60%, more preferably at least about 70%, more preferably at least about 80%, more preferably at least about 90%, and more preferably at least about 95%, identical to amino acid sequence SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13 when comparing preferred regions of the sequence, such as the amino acid sequence for Domain 1 or Domain 2 of any one of the amino acid sequences, when using a DNA alignment program disclosed herein to align the amino acid sequences. A more preferred target FcR structure to model includes a structure comprising FcγRI, FcγRIIa, FcγRIIb, FcγRIIc, FcγRIIIb, FcεRI or FcαRI protein, more preferably a structure comprising the amino acid sequence SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13 and more preferably a structure consisting of the amino acid sequence SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13.

[0062] Preferred target FcR structures to model also include, but are not limited to, derivations of Fc receptor proteins, such as an Fc receptor having one or more amino acid residues substituted, deleted or added (referred to herein as Fc receptor mutants), or proteins encoded by natural allelic variants of a nucleic acid molecule encoding an Fc receptor. A preferred Fc receptor protein to model includes FcγRIIaγTm (i.e., an FcγRIIa protein from which the transmembrane domain has been deleted), and mutants or natural allelic variants of a nucleic acid molecule encoding FcγRI, FcγRIIa, FcγRIIb, FcγRIIc, FcγRIIIb, FcεRI, FcαRI protein. More preferred Fc receptor proteins to model include Fc receptor proteins having an amino acid sequence including SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13 or mutants or natural allelic variants of SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13. According to the present invention, an amino acid sequence for FcγRIIb is represented herein as SEQ ID NO:5, an amino acid sequence for FcγRIIc is represented herein as SEQ ID NO:6, an amino acid sequence for FcγRI is represented herein as SEQ ID NO:7, an amino acid sequence for FcγRIII is represented herein as SEQ ID NO:8, an amino acid sequence for FcεRI is represented herein as SEQ ID NO:9 and as set forth in FIG. 13, and an amino acid sequence for FcαRI is represented herein as SEQ ID NO:13. It is noted that the nucleotide and amino acid sequences for all of the above-known FcR are known and publicly available. Preferred allelic variants to model include, but are not limited to, FcγRIIa allelic variants having a glutamine at residue 27 of SEQ ID NO:3 and an arginine at residue 131 of SEQ ID NO:3, represented herein as SEQ ID NO:10; a tryptophan at residue 27 of SEQ ID NO:3 and a histidine at residue 131 of SEQ ID NO:3, represented herein as SEQ ID NO:11; or a tryptophan at residue 27 of SEQ ID NO:3 and an arginine at residue 131 of SEQ ID NO:3, represented herein as SEQ ID NO:12.

[0063] As used herein, a “natural allelic variant” refers to alternative forms of a gene that occupies corresponding loci on homologous chromosomes. Allelic variants typically encode proteins having similar activity to that of the protein encoded by the gene to which they are being compared. Allelic variants can also comprise alterations in the 5′ or 3′ untranslated regions of the gene (e.g., in regulatory control regions). Allelic variants are well known to those skilled in the art and would be expected to be found within a given group of genes encoding an Fc receptor in a given species of animal.

[0064] As used herein, “mutants of a nucleic acid molecule encoding an Fc receptor” refer to nucleic acid molecules modified by nucleotide insertions, deletions and/or substitutions. Preferably, a mutant of an Fc receptor nucleic acid molecule comprises modifications such that the protein encoded by the mutant of an Fc receptor nucleic acid molecule (i.e., an Fc receptor protein mutant) has one or more epitopes that can be targeted by a humoral or cellular immune response against a non-mutated Fc receptor protein. More preferably, the nucleic acid molecule encoding a mutant Fc receptor protein can form a stable hybrid with a nucleic acid sequence encoding a non-mutated Fc receptor nucleic acid molecule under stringent hybridization conditions. Even more preferably, the nucleic acid molecule encoding a mutant Fc receptor protein can form a stable hybrid, under stringent hybridization conditions, with a nucleic acid sequence encoding an amino acid sequence including SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13.

[0065] As used herein, stringent hybridization conditions refer to standard hybridization conditions under which nucleic acid molecules are used to identify similar nucleic acid molecules. Such standard conditions are disclosed, for example, in Sambrook et al., Molecular Cloning: A Laboratory Manual, Cold Spring Harbor Labs Press, 1989. Sambrook et al., ibid., is incorporated by reference herein in its entirety (see specifically, pages 9.31-9.62, 11.7 and 11.45-11.61). In addition, formulae to calculate the appropriate hybridization and wash conditions to achieve hybridization permitting varying degrees of mismatch of nucleotides are disclosed, for example, in Meinkoth et al., 1984, Anal. Biochem. 138, 267-284; Meinkoth et al., ibid., is incorporated by reference herein in its entirety.

[0066] More particularly, stringent hybridization conditions, as referred to herein, refer to conditions which permit isolation of nucleic acid molecules having at least about 70% nucleic acid sequence identity with the nucleic acid molecule being used to probe in the hybridization reaction, more particularly at least about 75%, and most particularly at least about 80%. Such conditions will vary, depending on whether DNA:RNA or DNA:DNA hybrids are being formed. Calculated melting temperatures for DNA:DNA hybrids are 10° C. less than for DNA:RNA hybrids. In particular embodiments, stringent hybridization conditions for DNA:DNA hybrids include hybridization at an ionic strength of 0.1×SSC (0.157 M Na+) at a temperature of between about 20° C. and about 35° C., more preferably, between about 28° C. and about 40° C., and even more preferably, between about 35° C. and about 45° C. In particular embodiments, stringent hybridization conditions for DNA:RNA hybrids include hybridization at an ionic strength of 0.1×SSC (0.157 M Na+) at a temperature of between about 30° C. and about 45° C., more preferably, between about 38° C. and about 50° C., and even more preferably, between about 45° C and about 55° C. These values are based on calculations of a melting temperature for molecules larger than about 100 nucleotides, 0% formamide and a G+C content of about 50%. Alternatively, Tm can be calculated empirically as set forth in Sambrook et al., supra, pages 11.55 to 11.57.

[0067] A model of the present invention can be derived using conserved structural features between the known three dimensional structure of one FcR protein, such as FcγRIIa, and another target FcR structure. Such structural features include, but are not limited to, amino acid sequence, conserved di-sulphide bonds, and β-strands or β-sheets that are highly conserved in immunoglobulin superfamily members. For example, FIGS. 5, 11 and 12 illustrate the relationship of β-strands with the linear amino acid sequence of various Fc receptor proteins. Preferably, a model of the present invention is derived by starting with the backbone of the three dimensional structure of FcγRIIa protein. Individual residues are then replaced according to the amino acid sequence of the target FcR structure at residues that differ from the amino acid sequence of an FcγRIIa protein. Care is taken that replacement of residues does not disturb the tertiary structure of the backbone. While procedures to model target FcR structures are generally known in the art, the present invention provides the first three dimensional structure of FcγRIIa protein and the first three dimensional structures of protein substantially related to a member of the family of FcγR receptors, an FcεRI and an FcγRIIIb. Thus, the present invention provides essential information to produce accurate, and therefore, useful models of a member of the family of FcγR receptors, of the FcεRI receptor and of the FcαRI receptor. As discussed above, once the three dimensional structure of a second FcR has been derived from a determined three dimensional structure of a first FcR such as FcγRIIa disclosed herein, the second FcR three dimensional structure can be used to derive (i.e., model or calculate) the three dimensional structure of another FcR.

[0068] According to the present invention, a structure can be modeled using techniques generally described by, for example, Sali, Current Opinions in Biotechnology, vol. 6, pp. 437-451, 1995, and algorithms can be implemented in program packages such as Homology 95.0 (in the program Insight II, available from Biosym/MSI, San Diego, Calif.). Use of Homology 95.0 requires an alignment of an amino acid sequence of a known structure having a known three dimensional structure with an amino acid sequence of a target structure to be modeled. The alignment can be a pairwise alignment or a multiple sequence alignment including other related sequences (for example, using the method generally described by Rost, Meth. Enzymol., vol. 266, pp. 525-539, 1996) to improve accuracy. Structurally conserved regions can be identified by comparing related structural features, or by examining the degree of sequence homology between the known structure and the target structure. Certain coordinates for the target structure are assigned using known structures from the known structure. Coordinates for other regions of the target structure can be generated from fragments obtained from known structures such as those found in the Protein Data Bank maintained by Brookhaven National Laboratory, Upton, N.Y. Conformation of side chains of the target structure can be assigned with reference to what is sterically allowable and using a library of rotamers and their frequency of occurrence (as generally described in Ponder and Richards, J. Mol. Biol., vol. 193, pp. 775-791, 1987). The resulting model of the target structure, can be refined by molecular mechanics (such as embodied in the program Discover, available from Biosym/MSI) to ensure that the model is chemically and conformationally reasonable.

[0069] Accordingly, one embodiment of the present invention is a method to derive a model of the three dimensional structure of a target FcR structure, the method comprising the steps of: (a) providing an amino acid sequence of an FcγRIIa protein and an amino acid sequence of a target FcR structure; (b) identifying structurally conserved regions shared between the FcγRIIa amino acid sequence and the target FcR structure amino acid sequence; (c) determining atomic coordinates for the target FcR structure by assigning said structurally conserved regions of the target FcR structure to a three dimensional structure using a three dimensional structure of an FcγRIIa protein based on atomic coordinates that substantially conform to the atomic coordinates represented in Table 1, to derive a model of the three dimensional structure of the target structure amino acid sequence. A model according to the present invention has been previously described herein. Preferably the model comprises a computer model. The method can further comprise the step of electronically simulating the structural assignments to derive a computer model of the three dimensional structure of the target structure amino acid sequence. Suitable target structures to model include proteins, polypeptides and peptides of Fc receptors disclosed herein, including monomers and dimers of such receptors. Preferred amino acid sequences to model are disclosed herein.

[0070] Another embodiment of the present invention is a method to derive a computer model of the three dimensional structure of a target FcR structure for which a crystal has been produced (referred to herein as a “crystallized target structure”). A suitable method to produce such a model includes the method comprising molecular replacement. Methods of molecular replacement are generally known by those of skill in the art (generally described in Brunger, Meth. Enzym., vol. 276, pp. 558-580, 1997; Navaza and Saludjian, Meth. Enzym., vol. 276, pp. 581-594, 1997; Tong and Rossmann, Meth. Enzym., vol. 276, pp. 594-611, 1997; and Bentley, Meth. Enzym., vol. 276, pp. 611-619, 1997, each of which are incorporated by this reference herein in their entirety) and are performed in a software program including, for example, XPLOR. According to the present invention, X-ray diffraction data is collected from the crystal of a crystallized target structure. The X-ray diffraction data is transformed to calculate a Patterson function. The Patterson function of the crystallized target structure is compared with a Patterson function calculated from a known structure (referred to herein as a search structure). The Patterson function of the crystallized target structure is rotated on the search structure Patterson function to determine the correct orientation of the crystallized target structure in the crystal. The translation function is then calculated to determine the location of the target structure with respect to the crystal axes. Once the crystallized target structure has been correctly positioned in the unit cell, initial phases for the experimental data can be calculated. These phases are necessary for calculation of an electron density map from which structural differences can be observed and for refinement of the structure. Preferably, the structural features (e.g., amino acid sequence, conserved di-sulphide bonds, and β-strands or β-sheets) of the search molecule are related to the crystallized target structure. Preferably, a crystallized target FcR structure useful in a method of molecular replacement according to the present invention has an amino acid sequence that is at least about 25%, more preferably at least about 30%, more preferably at least about 40%, more preferably at least about 50%, more preferably at least about 60%, more preferably at least about 70%, more preferably at least about 80% and more preferably at least about 90% identical to the amino acid sequence of the search structure (e.g., FcγRIIa), when the two amino acid sequences are compared using a DNA alignment program disclosed herein. A preferred search structure of the present invention includes an FcγRIIa protein comprising an amino acid sequence including SEQ ID NO:3, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, SEQ ID NO:14 or SEQ ID NO:15. A more preferred search structure of the present invention includes an FcγRIIa protein having a three dimensional structure that substantially conforms with the atomic coordinates listed in Table 1. Preferably, a Patterson function of a crystalline FcγRIIa protein is derived from X-ray diffraction of an FcγRIIa crystal of the present invention. A preferred target FcR structure for use in a molecular replacement strategy of the present invention includes FcγRI, FcγRIIb, FcγRIIc, FcγRIII, FcεRI and/or FcαRI, and most preferably, FcεRI and FcγRIIIb.

[0071] A preferred embodiment of the present invention includes a method to derive a three dimensional structure of a crystallized target FcR structure (i.e. a crystallized FcR protein), said method comprising the steps of: (a) comparing the Patterson function of a crystallized target FcR structure with the Patterson function of crystalline FcγRIIa protein to produce an electron-density map of said crystallized target FcR structure; and (b) analyzing the electron-density map to produce the three dimensional structure of the crystallized target FcR structure.

[0072] Another embodiment of the present invention is a method to determine a three dimensional structure of a target structure, in which the three dimensional structure of the target FcR structure is not known. Such a method is useful for identifying structures that are related to the three dimensional structure of an FcγRIIa protein based only on the three dimensional structure of the target structure. Thus, the present method enables identification of structures that do not have high amino acid identity with an FcγRIIa protein but which do share three dimensional structure similarities. A preferred method to determine a three dimensional structure of a target FcR structure comprises: (a) providing an amino acid sequence of a target structure, wherein the three dimensional structure of the target structure is not known; (b) analyzing the pattern of folding of the amino acid sequence in a three dimensional conformation by fold recognition; and (c) comparing the pattern of folding of the target structure amino acid sequence with the three dimensional structure of FcγRIIa protein to determine the three dimensional structure of the target structure, wherein the three dimensional structure of the FcγRIIa protein substantially conforms to the atomic coordinates represented in Table 1. Preferred methods of fold recognition include the methods generally described in Jones, Curr. Opinion Struc. Biol., vol. 7, pp. 377-387, 1997. Such folding can be analyzed based on hydrophobic and/or hydrophilic properties of a target structure.

[0073] One embodiment of the present invention includes a three dimensional computer image of the three dimensional structure of an FcR protein. Suitable structures of which to produce three dimensional computer images are disclosed herein. Preferably, a computer image is created to a structure substantially conforms with the three dimensional coordinates listed in Table 1. A computer image of the present invention can be produced using any suitable software program, including, but not limited to, MOLSCRIPT 2.0 (Avatar Software AB, Heleneborgsgatan 21C, SE-11731 Stockholm, Sweden), the graphical display program 0 (Jones et. al., Acta Crystallography, vol. A47, p. 110, 1991) or the graphical display program GRASP. Suitable computer hardware useful for producing an image of the present invention are known to those of skill in the art. Preferred computer hardware includes a Silicon Graphics Workstation.

[0074] Another embodiment of the present invention relates to a computer-readable medium encoded with a set of three dimensional coordinates selected from the group of the three dimensional coordinates represented in Table 1, the three dimensional coordinates represented in Table 2, the three dimensional coordinates represented in Table 3, the three dimensional coordinates represented in Table 4, and the three dimensional coordinates represented in Table 5, wherein, using a graphical display software program, the three dimensional coordinates create an electronic file that can be visualized on a computer capable of representing said electronic file as a three dimensional image. Preferably, the three dimensional structure is of an FcR protein selected from the group of FcγRIIa, FcεRI, and FcγRIIIb.

[0075] Yet another embodiment of the present invention relates to a computer-readable medium encoded with a set of three dimensional coordinates of a three dimensional structure which substantially conforms to the three dimensional coordinates represented in Table 1, wherein, using a graphical display software program, the set of three dimensional coordinates create an electronic file that can be visualized on a computer capable of representing said electronic file as a three dimensional image. Preferably, the three dimensional structure is of an FcR protein selected from the group of FcγRI, FcγRIIa, FcγRIIb, FcγRIIc, FcγRIII, FcεRI and FcαRI.

[0076] Another embodiment of the present invention relates to a two dimensional image of an FcR including those illustrated in FIG. 4, FIG. 6, FIG. 7, FIG. 8, FIG. 9, FIG. 10, FIG. 14, FIG. 15 or FIG. 16. Most of these figures were drawn with MOLSCRIPT 2.0 (Avatar Software AB, Heleneborgsgatan 21C, SE-11731 Stockholm, Sweden).

[0077] One embodiment of the present invention includes an image of FcR protein that is generated when a set of three dimensional coordinates comprising the three dimensional coordinates represented in Table 1 are analyzed on a computer using a graphical display software program to create an electronic file of said image and visualizing said electronic file on a computer capable of representing electronic file as a three dimensional image. Suitable graphical software display programs include MOLSCRIPT 2.0, 0 and GRASP. A suitable computer to visualize such image includes a Silicon Graphics Workstation. Suitable structures and models to image are disclosed herein. Preferably, the three dimensional structures and/or models are of an FcR protein selected from the group of FcγRI, FcγRIIa, FcγRIIb, FcγRIIc, FcγRIII, FcεRI and FcαRI.

[0078] The present invention also includes a three dimensional model of the three dimensional structure of a target structure including FcγRI protein, FcγRIIa, FcγRIIb protein, FcγRIIc protein, FcγRIIIb protein, FcεRI protein, and FcαRI protein, such a three dimensional model being produced by the method comprising: (a) providing an amino acid sequences of an FcγRIIa protein and an amino acid sequence of a target FcR structure; (b) identifying structurally conserved regions shared between the FcγRIIa amino acid sequence and the target FcR structure amino acid sequence; (c) determining atomic coordinates for the FcR protein by assigning the structurally conserved regions of the target FcR structure to a three dimensional structure using a three dimensional structure of an FcγRIIa protein based on atomic coordinates that substantially conform to the atomic coordinates represented in Table 1 to derive a model of the three dimensional structure of the target FcR structure amino acid sequence. Preferably, the model comprises a computer model. Preferably, the method further comprises the step of electronically simulating the structural assignments to derive a computer model of the three dimensional structure of the target FcR structure amino acid sequence. Preferred amino acid sequences of FcγRI protein, FcγRIIb protein, FcγRIIc protein, FcγRIIIb protein and FcεRI protein are disclosed herein.

[0079] One embodiment of the present invention includes a method for producing crystals of FcγRIIa, comprising combining FcγRIIa protein with a mother liquor and inducing crystal formation to produce the FcγRIIa crystals. Another embodiment of the present invention includes a method for producing crystals of FcεRI, comprising combining FcεRI protein with a mother liquor and inducing crystal formation to produce the FcεRI crystals. Although the production of crystals of FcγRIIa and FcεRI are specifically described herein, it is to be understood that such processes as are described herein can be adapted by those of skill in the art to produce crystals of other Fc receptors (FcR), particularly FcγRI, FcγRIIb, FcγRIIc, FcγRIIIb and FcαRI, the three dimensional structures of which are also encompassed by the present invention.

[0080] Preferably, crystals of FcγRIIa are formed using a solution containing a range of FcγRIIa protein from about 1 mg/ml to about 20 mg/ml, more preferably from about 2 mg/ml to about 15 mg/ml, and even more preferably from about 3 mg/ml to about 6 mg/ml of FcγRIIa protein in a mother liquor, with 3 mg/ml and 6 mg/ml of FcγRIIa protein in a mother liquor being more preferred. Preferably, crystals are formed using droplets containing from about 1 μg to about 30 μg, more preferably from about 5 μg to about 25 μg, and more preferably from about 4.5 μg to about 9 μg of FcγRIIa protein per 3 μl droplet.

[0081] A suitable mother liquor of the present invention comprises an acetate salt buffer. A preferred acetate salt buffer of the present invention comprises ammonium acetate. The concentration of ammonium acetate in the buffer prior to crystallization can range from about 100 mM to about 500 mM ammonium acetate. Preferably, the concentration of ammonium acetate in the buffer ranges from about 150 mM to about 300 mM ammonium acetate. More preferably, the concentration of ammonium acetate in the buffer is 200 mM ammonium acetate. A suitable acetate salt buffer preferably includes a buffer having a pH of from about 5 to about 7, more preferably from about 5.5 to about 6.5, and more preferably a pH of about 5.6. Preferably, the pH of an acetate salt buffer or the present invention is controlled using sodium citrate. A suitable acetate salt buffer contains sodium citrate at a concentration of about 0.01 M sodium citrate, more preferably 0.05 M sodium citrate and more preferably 0.1 M sodium citrate. A suitable acetate salt buffer contains any polyethylene glycol (PEG), with PEG 4000 being more preferred. Suitable PEG 4000 concentrations in an acetate salt buffer of the present invention include a concentration of about 20%, preferably about 25%, and more preferably about 30% PEG 4000.

[0082] Another suitable mother liquor of the present invention comprises a sulphate buffer. A preferred sulphate buffer of the present invention comprises lithium sulfate. The concentration of lithium sulfate in the buffer prior to crystallization can range from about 100 mM to about 2.5 M lithium sulfate. Preferably, the concentration of lithium sulfate in the buffer ranges from about 500 mM to about 2 M lithium sulfate. More preferably, the concentration of lithium sulfate in the buffer is about 1.5 M lithium sulfate. A suitable sulphate buffer preferably includes a buffer having a pH of from about 5 to about 9, more preferably from about 6 to about 8, and more preferably a pH of about 7.5. Preferably, the pH of a sulphate buffer or the present invention is controlled using HEPES. A suitable sulphate buffer contains HEPES at a concentration of about 0.01 M HEPES, more preferably 0.05 M HEPES and more preferably 0.1 M HEPES.

[0083] Supersaturated solutions of FcγRIIa protein can be induced to crystallize by several methods including, but not limited to, vapor diffusion, liquid diffusion, batch crystallization, constant temperature and temperature induction or a combination thereof. Preferably, supersaturated solutions of FcγRIIa protein are induced to crystallize by vapor diffusion (i.e., hanging drop method). In a vapor diffusion method, an FcγRIIa protein is combined with a mother liquor of the present invention that will cause the FcγRIIa protein solution to become supersaturated and form FcγRIIa crystals at a constant temperature. Vapor diffusion is preferably performed under a controlled temperature in the range of from about 15° C. to about 30° C., more preferably from about 20° C. to about 25° C., and more preferably at a constant temperature of about 22° C.

[0084] In a preferred embodiment, the present invention includes a method to produce crystals of FcγRIIa comprising the steps of: (a) preparing an about 3 mg/ml solution of FcγRIIa protein in an acetate salt buffer to form a supersaturated formulation, in which the buffer comprises about 200 mM ammonium acetate, about 100 mM sodium citrate and about 30% PEG 4000 and has a pH of about pH 5.8; (b) dropping about 3 μl droplets of the supersaturated formulation onto a coverslip and inverting this over a well containing about 1 ml of the acetate salt buffer; and (c) incubating until crystals of FcγRIIa form.

[0085] In another preferred embodiment, the present invention includes a method to produce crystals of FcγRIIa comprising the steps of: (a) preparing an about 3 mg/ml solution of FcγRIIa protein in a sulphate buffer to form a supersaturated formulation, in which the buffer comprises about 0.15 M HEPES and about 1.5 M lithium sulphate and has a pH of about pH 7.5; (b) dropping about 3 μl droplets of the supersaturated formulation onto a coverslip and inverting this over a containing about 1 ml of the sulphate buffer; and (c) incubating until crystals of FcγRIIa form.

[0086] As discussed briefly above, another embodiment of the present invention is a method of producing FcεRI crystals and the FcεRI crystals produced thereby. Preferably, crystals of FcεRI are formed using a solution containing a range of FcεRI protein from about 1 mg/ml to about 20 mg/ml, more preferably from about 2 mg/ml to about 15 mg/ml, and even more preferably from about 3 mg/ml to about 6 mg/ml of FcεRI protein in a mother liquor, with 3 mg/ml and 6 mg/ml of FcεRI protein in a mother liquor being more preferred. Preferably, crystals are formed using droplets containing from about 1 μg to about 30 μg, more preferably from about 5 μg to about 25 μg, and more preferably from about 4.5 μg to about 9 μg of FcεRI protein per 3 μl droplet.

[0087] A suitable mother liquor of the present invention comprises an acetate salt buffer. A preferred acetate salt buffer of the present invention comprises calcium acetate. The concentration of calcium acetate in the buffer prior to crystallization can range from about 100 mM to about 500 mM calcium acetate. Preferably, the concentration of calcium acetate in the buffer ranges from about 150 mM to about 300 mM calcium acetate. More preferably, the concentration of calcium acetate in the buffer is 200 mM calcium acetate. A suitable acetate salt buffer preferably includes a buffer having a pH of from about 5.5 to about 7.5, more preferably from about 6.0 to about 7.0, and more preferably a pH of about 6.5. Preferably, the pH of an acetate salt buffer or the present invention is controlled using sodium cacodylate. A suitable acetate salt buffer contains sodium cacodylate at a concentration of about 0.01 M sodium cacodylate, more preferably 0.05 M sodium cacodylate and more preferably 0.1 M sodium cacodylate. A suitable acetate salt buffer contains any polyethylene glycol (PEG), with PEG 8000 being more preferred. Suitable PEG 8000 concentrations in an acetate salt buffer of the present invention include a concentration of about 10% w/v, preferably about 15%, and more preferably about 20% w/v PEG 8000.

[0088] Another suitable mother liquor of the present invention comprises a buffer which includes sodium cacodylate together with 2-propanol and polyethylene glycol. A preferred sodium cacodylate buffer of the present invention comprises a concentration of sodium cacodylate in the buffer prior to crystallization of about 0.01 M sodium cacodylate, more preferably 0.05 M sodium cacodylate and more preferably 0.1 M sodium cacodylate. A suitable sodium cacodylate buffer preferably includes a buffer having a pH of from about 5 to about 7, more preferably from about 5.5 to about 6.5, and more preferably a pH of from about 5.5 to about 6.0. A suitable sodium cacodylate buffer contains 2-propanol at a concentration of about 5% v/v, more preferably 7% v/v and more preferably 10% v/v. A suitable sodium cacodylate buffer contains any polyethylene glycol (PEG), with PEG 4000 being more preferred. Suitable PEG 4000 concentrations in an acetate salt buffer of the present invention include a concentration of about 10% w/v, preferably about 15%, and more preferably about 20% w/v PEG 4000.

[0089] Another suitable mother liquor of the present invention comprises a sodium citrate buffer which includes tri sodium citrate dihydrate together with sodium cacodylate and 2-propanol. A preferred sodium citrate buffer of the present invention comprises a concentration of tri sodium citrate dihydrate in the buffer prior to crystallization of about 0.05 M tri sodium citrate dihydrate, more preferably 0.1 M tri sodium citrate dihydrate and more preferably 0.2 M tri sodium citrate dihydrate. A suitable sodium citrate buffer preferably includes a buffer having a pH of from about 5.5 to about 7, more preferably from about 6.0 to about 7.0, and more preferably a pH of about 6.5. A preferred sodium citrate buffer of the present invention comprises a concentration of sodium cacodylate in the buffer prior to crystallization of about 0.01 M sodium cacodylate, more preferably 0.05 M sodium cacodylate and more preferably 0.1 M sodium cacodylate. A suitable sodium citrate buffer contains 2-propanol at a concentration of about 15% v/v, more preferably 20% v/v and more preferably 30% v/v.

[0090] Supersaturated solutions of FcεRI protein can be induced to crystallize by several methods including, but not limited to, vapor diffusion, liquid diffusion, batch crystallization, constant temperature and temperature induction or a combination thereof. Preferably, supersaturated solutions of FcεRI protein are induced to crystallize by vapor diffusion (i.e., hanging drop method). In a vapor diffusion method, an FcεRI protein is combined with a mother liquor of the present invention that will cause the FcεRI protein solution to become supersaturated and form FcεRI crystals at a constant temperature. Vapor diffusion is preferably performed under a controlled temperature in the range of from about 15° C. to about 30° C., more preferably from about 20° C. to about 25° C., and more preferably at a constant temperature of about 22° C.

[0091] In a preferred embodiment, the present invention includes a method to produce crystals of FcεRI comprising the steps of: (a) preparing an about 3 mg/ml solution of FcεRI protein in an acetate salt buffer to form a supersaturated formulation, in which the buffer comprises about 200 mM calcium acetate, about 100 mM sodium cacodylate and about 18% w/v PEG 8000 and has a pH of about pH 6.5; (b) dropping about 3 μl droplets of the supersaturated formulation onto a coverslip and inverting this over a well containing about 1 ml of the acetate salt buffer; and (c) incubating until crystals of FcεRI form.

[0092] In another preferred embodiment, the present invention includes a method to produce crystals of FcεRI comprising the steps of: (a) preparing an about 3 mg/ml solution of FcεRI protein in a sodium cacodylate buffer to form a supersaturated formulation, in which the buffer comprises about 100 mM sodium cacodylate, about 10% v/v 2-propanol and about 20% w/v PEG 4000 and has a pH of about pH 5.5-6.0; (b) dropping about 3 μl droplets of the supersaturated formulation onto a coverslip and inverting this over a containing about 1 ml of the sulphate buffer; and (c) incubating until crystals of FcεRI form.

[0093] In another preferred embodiment, the present invention includes a method to produce crystals of FcεRI comprising the steps of: (a) preparing an about 3 mg/ml solution of FcεRI protein in a sodium citrate buffer to form a supersaturated formulation, in which the buffer comprises about 200 mM tri sodium citrate dihydrate, about 100 mM sodium cacodylate and about 30% v/v 2-propanol and has a pH of about pH 6.5; (b) dropping about 3 μl droplets of the supersaturated formulation onto a coverslip and inverting this over a containing about 1 ml of the sulphate buffer; and (c) incubating until crystals of FcεRI form.

[0094] Any isolated FcR protein can be used with the present method. An isolated FcR protein can be isolated from its natural milieu or produced using recombinant DNA technology (e.g., polymerase chain reaction (PCR) amplification, cloning) or chemical synthesis. To produce recombinant FcR protein, a nucleic acid molecule encoding FcR protein can be inserted into any vector capable of delivering the nucleic acid molecule into a host cell. Suitable and preferred nucleic acid molecules to include in recombinant vectors of the present invention are as disclosed herein. A preferred nucleic acid molecule of the present invention encodes a human FcR protein, and more preferably, a human FcγRIIa protein, a human FcεRI protein, or a human FcγRIIIb protein. A nucleic acid molecule of the present invention can encode any portion of an FcR protein, preferably a full-length FcR protein, and more preferably a soluble form of FcR protein (i.e., a form of FcR protein capable of being secreted by a cell that produces such protein). A more preferred nucleic acid molecule to include in a recombinant vector, and particularly in a recombinant molecule, includes a nucleic acid molecule encoding a protein having the amino acid sequence represented by SEQ ID NO:3, SEQ ID NO:5, SEQ ID NO:6, SEQ ID NO:7, SEQ ID NO:8, SEQ ID NO:9, SEQ ID NO:10, SEQ ID NO:11, SEQ ID NO:12, or SEQ ID NO:13. A preferred nucleic acid molecule to include in a recombinant molecule includes sFcγRIIa and sFcεRI, the production of which are described in the Examples section.

[0095] A recombinant vector of the present invention can be either RNA or DNA, either prokaryotic or eukaryotic, and typically is a virus or a plasmid. Preferably, a nucleic acid molecule encoding an FcR protein is inserted into a vector comprising an expression vector to form a recombinant molecule. As used herein, an expression vector is a DNA or RNA vector that is capable of transforming a host cell and of affecting expression of a specified nucleic acid molecule. Expression vectors of the present invention include any vectors that function (i.e., direct gene expression) in recombinant cells of the present invention, including in bacterial, fungal, endoparasite, insect, other animal, and plant cells. Preferred expression vectors of the present invention direct expression in insect cells. A more preferred expression vector of the present invention comprises pVL1392 baculovirus shuttle plasmid. A preferred recombinant molecule of the present invention comprises pVL-sFcγRIIa(a), pVL-sFcγRIIa(b), and pVL-sFcεRI.

[0096] An expression vector of the present invention can be transformed into any suitable host cell to form a recombinant cell. A suitable host cell includes any cell capable of expressing a nucleic acid molecule inserted into the expression vector. For example, a prokaryotic expression vector can be transformed into a bacterial host cell. A preferred host cell of the present invention includes a cell capable of expressing a baculovirus, in particular an insect cell, with Spodoptera frugiperda or Trichoplusia ni cells being preferred. A preferred recombinant cell of the present invention includes S. frugiperda:pVL-sFcγRIIa(a)/pVL-sFcγRIIa(b) cells and S. frugiperda:pVL-sFcεRI the production of which is described herein.

[0097] One method to isolate FcR protein useful for producing FcR crystals includes recovery of recombinant proteins from cell cultures of recombinant cells expressing such FcR protein. In one embodiment, an isolated recombinant FcR protein of the present invention is produced by culturing a cell capable of expressing the protein under conditions effective to produce the protein, and recovering the protein. A preferred cell to culture is a recombinant cell of the present invention. Effective culture conditions include, but are not limited to, effective media, bioreactor, temperature, pH and oxygen conditions and culture medium that permit protein production. Such culturing conditions are within the expertise of one of ordinary skill in the art. Examples of suitable conditions are included in the Examples section.

[0098] Preferably, a recombinant cell of the present invention expresses a secreted form of FcR protein. FcR proteins of the present invention can be purified using a variety of standard protein purification techniques, such as, but not limited to, affinity chromatography, ion exchange chromatography, filtration, electrophoresis, hydrophobic interaction chromatography, gel filtration chromatography, reverse phase chromatography, chromatofocusing and differential solubilization. Preferably, an FcR protein is purified in such a manner that the protein is purified sufficiently for formation of crystals useful for obtaining information related to the three dimensional structure of an FcR protein. Preferably, a composition of FcR protein is about 70%, more preferably 75%, more preferably 80%, more preferably 85% and more preferably 90% pure.

[0099] In one embodiment, a recombinant FcR protein is purified from a cell culture supernatant harvested between about 20 hours and about 60 hours post-infection, preferably between about 30 hours and about 50 hours post-infection, and more preferably about 40 hours post-infection. Preferably, an FcγRIIa protein is purified from a supernatant by a method comprising the steps: (a) applying supernatant from S. frugiperda:pVL-sFcγRIIa(a)/pVL-sFcγRIIa(b) cells to an ion exchange column; (b) collecting unbound protein from the ion exchange column and applying the unbound protein to an immuno-affinity chromatography column; (c) eluting proteins bound to the immuno-affinity chromatography column and applying the eluted proteins to a gel filtration column; and (d) collecting filtered proteins from the gel filtration column to obtain the FcγRIIa protein. Preferably, an FcεRI protein is purified from a supernatant by a method comprising the steps: (a) applying supernatant from S. frugiperda:pVL-sFcεRI cells to an ion exchange column; (b) collecting unbound protein from the ion exchange column and applying the unbound protein to an immuno-affinity chromatography column; (c) eluting proteins bound to the immuno-affinity chromatography column and applying the eluted proteins to a gel filtration column; and (d) collecting filtered proteins from the gel filtration column to obtain the FcεRI protein.

[0100] In view of the high degree of amino acid sequence homology between human FcγR proteins and other members of the FcγR family of proteins, the methods of purification of the present invention are applicable for each member of the FcγR family. In addition, one of skill in the art will recognize that the purification methods of the present invention are generally useful for purifying any FcR protein, such as the FcεRI protein, except using IgE rather than IgG for the step of immuno-affinity chromatography purification, and such as the FcαRI protein, except using IgA rather than IgG for the purification step. Isolated protein of the members of the FcγR family of proteins, FcεR protein and FcαR protein may be obtained through recombinant DNA technology or may be purified from natural sources, including but not limited to, monocytes, macrophages, neutrophils, eosinophils, platelets and B lymphocytes (i.e., B cells). Descriptions of recombinant production of isolated FcγRIIa and FcεRI proteins are described in the Examples section.

[0101] Another embodiment of the present invention includes a composition comprising FcR protein in a crystalline form (i.e., FcR crystals). As used herein, the terms “crystalline FcR” and “FcR crystal” both refer to crystallized FcR protein and are intended to be used interchangeably. Preferably, a crystalline FcR is produced using the crystal formation method described herein, in particular according to the method disclosed in Example 6 or Example 9. A FcR crystal of the present invention can comprise any crystal structure and preferably precipitates as an orthorhombic crystal. A suitable crystalline FcR of the present invention includes a monomer or a multimer of FcR protein. A preferred crystalline FcR comprises one FcR protein in an asymmetric unit. A more preferred crystalline FcR comprises a dimer of FcR proteins.

[0102] A particular embodiment of the present invention includes a composition comprising FcγRIIa protein in a crystalline form (i.e., FcγRIIa crystals). As used herein, the terms “crystalline FcγRIIa” and “FcγRIIa crystal” both refer to crystallized FcγRIIa protein and are intended to be used interchangeably. Preferably, a crystal FcγRIIa is produced using the crystal formation method described herein, in particular according to the method disclosed in Example 6. A FcγRIIa crystal of the present invention can comprise any crystal structure and preferably precipitates as an orthorhombic crystal. Preferably, a composition of the present invention includes FcγRIIa protein molecules arranged in a crystalline manner in a space group P21212, so as to form a unit cell of dimensions a=78.80 Å, b=100.55 Å, c=27.85 Å. A preferred crystal of the present invention provides X-ray diffraction data for determination of atomic coordinates of the FcγRIIa protein to a resolution of about 3.0 Å, preferably about 2.4 Å, and more preferably at about 1.8 Å.

[0103] A suitable crystalline FcγRIIa of the present invention includes a monomer or a multimer of FcγRIIa protein. A preferred crystalline FcγRIIa comprises one FcγRIIa proteins in an asymmetric unit. A more preferred crystalline FcγRIIa comprises a dimer of FcγRIIa proteins.

[0104] Another particular embodiment of the present invention includes a composition comprising FcεRI protein in a crystalline form (i.e., FcεRI crystals). As used herein, the terms “crystalline FcεRI” and “FcεRI crystal” both refer to crystallized FcεRI protein and are intended to be used interchangeably. Preferably, a crystal FcεRI is produced using the crystal formation method described herein, in particular according to the method disclosed in Example 9. A FcεRI crystal of the present invention can comprise any crystal structure and preferably precipitates as an orthorhombic crystal. A suitable crystalline FcεRI of the present invention includes a monomer or a multimer of FcεRI protein. A preferred crystalline.FcεRI comprises one FcεRI protein in an asymmetric unit. A more preferred crystalline FcεRI comprises a dimer of FcεRI proteins.

[0105] According to the present invention, crystalline FcR can be used to determine the ability of a chemical compound of the present invention to bind to FcγRIIa protein a manner predicted by a structure based drug design method of the present invention. Preferably, an FcγRIIa crystal is soaked in a solution containing a chemical compound of the present invention. Binding of the chemical compound to the crystal is then determined by methods standard in the art.

[0106] One embodiment of the present invention is a therapeutic composition. A therapeutic composition of the present invention comprises one or more therapeutic compounds. Preferred therapeutic compounds of the present invention include inhibitory compounds and stimulatory compounds.

[0107] One embodiment of the present invention is a therapeutic composition that is capable of reducing IgG-mediated tissue damage. Suitable therapeutic compositions are capable of reducing IgG-mediated tissue damage resulting from IgG-mediated hypersensitivity or other biological mechanisms involved in IgG-mediated recruitment of inflammatory cells that involves FcγR protein. For example, a therapeutic composition of the present invention can: (1) inhibit (i.e., prevent, block) binding of FcγR protein on a cell having an FcγR protein (e.g., B cells, macrophage, neutrophil, eosinophil or platelet cells) to an IgG immune complex by interfering with the IgG binding site of an FcγR protein; (2) binding to the Fc portion of IgG to inhibit complement fixation by an IgG immune complex by interfering with the complement binding site of an IgG molecule; (3) inhibit precipitation of IgG or IgG immune complexes (i.e., prevent Fc:Fc interactions between two IgG); (4) inhibit immunoglobulin-mediated cellular signal transduction by interfering with the binding of an IgG to a cell surface receptor; (5) inhibit FcγR-mediated cellular signal transduction by interfering with the binding of a cell signal inducing molecule (i.e., a molecule that induces cellular signal transduction through an FcγR protein) to an FcγR protein; (6) inhibit opsinization of pathogens by inhibiting binding of IgG bound to a pathogen to FcγR protein on a phagocytic cell (e.g., to prevent antibody dependent enhancement (ADE) of viral infection, such as with flaviviruses and dengue virus); and (7) inhibit the binding of viral molecules to FcγR protein (e.g., measles virus nucleocapsid protein). As used herein, the term “immune complex” refers to a complex that is formed when an antibody binds to a soluble antigen. As used herein, the term “complement fixation” refers to complement activation by an antigen:antibody complex that results in recruitment of inflammatory cells, typically by assembly of a complex comprising C3a and C5a, or generation of cleaved C4. As used herein, the term “binding site” refers to the region of a molecule (e.g., a protein) to which another molecule specifically binds. Such therapeutic compositions include one or more inhibitory compounds that inhibit binding of IgG to FcγR protein, IgG to complement, IgG to IgG, IgG to a cell surface receptor, a cell signal inducing molecule to FcγR protein, FcγR protein to virus or inhibit opsinization. Also included in the present invention are methods to reduce IgG-mediated tissue damage. The method includes the step of administering to an animal a therapeutic composition of the present invention.

[0108] Another embodiment of the present invention is a therapeutic composition that is capable of stimulating an IgG humoral immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that improves the therapeutic affects of an antibody that is administered to an animal to treat, by opsinization or FcγR-dependent effector functions (e.g. antibody-dependent FcγR-medicated cytotoxicity, phagocytosis or release of cellular mediators), a particular disease, including, but not limited to, cancer or infectious disease (e.g. oral infections such as HIV, herpes, bacterial infections, yeast infections or parasite infections). Such a therapeutic composition includes one or more stimulatory compounds that have increased binding to IgG, enhance binding of IgG to FcγR, enhance dimer formation of an FcγR and/or enhance signal transduction through the FcγR. Also included in the present invention is a method to stimulate a humoral immune response. The method includes the step of administering to an animal a therapeutic composition of the present invention.

[0109] Suitable inhibitory compounds of the present invention are compounds that interact directly with an FcγR protein, preferably an FcγRIIa protein or an FcγRIIIb protein, thereby inhibiting the binding of IgG to an FcγR protein, by either blocking the IgG binding site of an FcγR (referred to herein as substrate analogs) or by modifying other regions of the FcγR protein (such as in the upper groove of the IgG binding cleft between the monomers of an FcγR dimer, at the dimer interface, in the cleft or hinge region between D1 and D2 on each monomer, and/or underneath the IgG binding cleft in the lower groove formed by the monomers of an FcγR dimer) such that IgG cannot bind to the FcγR (e.g., by allosteric interaction). A FcγR substrate analog refers to a compound that interacts with (e.g., binds to, associates with, modifies) the IgG binding site of an FcγR protein. A FcγR substrate analog can, for example, comprise a chemical compound that mimics the Fc portion of an IgG, or that binds specifically to the IgG binding site of an FcγR but does not mimic the Fc portion of an IgG. An inhibitory compound of the present invention can also include a compound that essentially mimics at least a portion of an FcγRIIa protein that binds to IgG (referred to herein as a peptidomimetic compound). Other suitable inhibitory compounds of the present invention include compounds that inhibit the binding of an FcγR protein to a cell signal inducing molecule other than IgG. Examples of such cell signal inducing molecules include another FcγR (i.e., to form a dimer of FcγR proteins), or a cell surface accessory molecule, an intracellular accessory molecule or virus (e.g., measles virus nucleocapsid protein).

[0110] One embodiment of the present invention is a therapeutic composition that is capable of reducing IgE-mediated responses. Suitable therapeutic compositions are capable of reducing IgE-mediated responses resulting from IgE-mediated hypersensitivity, IgE-mediated release of inflammatory modulators or other biological mechanisms involved in IgE-mediated recruitment of inflammatory cells that involves FcεR protein. For example, a therapeutic composition of the present invention can: (1) inhibit (i.e., prevent, block) binding of FcεR protein on a cell having an FcεR protein (e.g., mast cells) to an IgE immune complex by interfering with the IgE binding site of an FcεR protein; (2) inhibit precipitation of IgE or IgE immune complexes (i.e., prevent Fc:Fc interactions between two IgE); (3) inhibit immunoglobulin-mediated cellular signal transduction by interfering with the binding of an IgE to a cell surface receptor; and (4) inhibit FcεR-mediated cellular signal transduction by interfering with the binding of a cell signal inducing molecule (i.e., a molecule that induces cellular signal transduction through an FcεR protein) to an FcεR protein. Such therapeutic compositions include one or more inhibitory compounds that inhibit binding of IgE to FcεR protein, IgE to IgE, IgE to a cell surface receptor, or a cell signal inducing molecule to FcεR protein. Also included in the present invention are methods to reduce IgE-mediated responses, such as IgE-mediated inflammation. The method includes the step of administering to an animal a therapeutic composition of the present invention.

[0111] Another embodiment of the present invention is a therapeutic composition that is capable of stimulating a IgE humoral immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that improves the therapeutic affects of an antibody that is administered to an animal to treat, by opsinization or FcεR-dependent effector functions (e.g. phagocytosis or release of cellular mediators), a particular disease. Such a therapeutic composition includes one or more stimulatory compounds that have increased binding to IgE, enhance binding of IgE to FcεRI, enhance dimer formation of FcεRI and/or otherwise enhance signal transduction through the FcεRI. Also included in the present invention is a method to stimulate a humoral immune response. The method includes the step of administering to an animal a therapeutic composition of the present invention.

[0112] Suitable inhibitory compounds of the present invention are compounds that interact directly with an FcεR protein, thereby inhibiting the binding of IgE to an FcεR protein, by either blocking the IgE binding site of an FcεR (referred to herein as substrate analogs) or by modifying other regions of the FcεR protein (such as in the upper groove of the IgE binding cleft between the monomers of an FcεRI dimer, at the dimer interface, in the cleft or hinge region between D1 and D2 on each monomer, and/or underneath the IgE binding cleft in the lower groove formed by the monomers of an FcεRI dimer) such that IgE cannot bind to the FcεR (e.g., by allosteric interaction). A FcεR substrate analog refers to a compound that interacts with (e.g., binds to, associates with, modifies) the IgE binding site of an FcεR protein. A FcεR substrate analog can, for example, comprise a chemical compound that mimics the Fc portion of an IgE, or that binds specifically to the IgE binding site of an FcεR but does not mimic the Fc portion of an IgE. An inhibitory compound of the present invention can also include a compound that essentially mimics at least a portion of an FcεR protein that binds to IgE (referred to herein as a peptidomimetic compound). Other suitable inhibitory compounds of the present invention include compounds that inhibit the binding of an FcεR protein to a cell signal inducing molecule other than IgE. Examples of such cell signal inducing molecules include another FcεR (i.e., to form a dimer of FcεR proteins), or a cell surface accessory molecule, an intracellular accessory molecule or virus (e.g., measles virus nucleocapsid protein).

[0113] Inhibitory compounds of the present invention can be identified by various means known to those of skill in the art. For example, binding of an inhibitory compound to, or otherwise interaction with, an FcR protein, can be determined with FcR protein in solution or on cells using, for example, immunoassays such as enzyme linked immunoabsorbent assays (ELISA) and radioimmunoassays (RIA) or binding assays such as Biacore assays. Cell-based assays can include, for example, cytokine (e.g., IL-4, IL-6 or IL-12) secretion assays, or intracellular signal transduction assays that determine, for example, protein or lipid phosphorylation, mediator release or intracellular Ca++ mobilization upon FcR binding to a cell signal inducing molecule.

[0114] Suitable stimulatory therapeutic compounds of the present invention are compounds that exhibit improved binding to Ig when compared with the ability of a natural FcR protein (e.g., an FcR protein isolated from its natural milieu) to bind to Ig, and also include compounds that enhance the binding of Ig to its FcR or enhance signal transduction through the FcR. Stimulatory compounds of the present invention are identified by their ability to: (1) bind to, or otherwise interact with, Ig at a higher level than, for example, natural FcR protein; (2) enhance binding of Ig to its FcR; (3) enhance dimer formation of an FcR by binding either to the FcR, to an Ig that binds to the FcR or to the combination of Ig bound to the FcR; and/or (4) enhance signal transduction through the FcR. Methods to determine improved binding of Ig to a stimulatory compound of the present invention compared with, for example, natural FcR protein, include binding assays that determine the stability of binding, affinity or kinetics at which an Ig binds to a stimulatory compound and a natural FcR protein. Such methods are well known to those of skill in the art and are disclosed herein in the Examples section. A stimulatory compound of the present invention can also include a compound that binds to an Ig or an FcR protein, thereby enhancing the binding of Ig to FcR protein or improving cellular signal transduction during or after the binding of Ig to FcR protein, by, for example, modifying other regions of the FcR or Ig by an allosteric interaction that modifies the Ig-binding site of FcR or the Fc portion of Ig that binds to an FcR protein. Another stimulatory compound of the present invention can include a compound that binds to FcR protein in the absence of Ig, in such a manner that FcR-mediated cellular signal transduction is stimulated.

[0115] One of skill in the art will understand that inhibitory or stimulatory compounds can also be developed based on the structure of any FcR and its Ig ligand, as described above for FcγR protein and IgG and FcεRI and IgE.

[0116] According to the present invention, suitable therapeutic compounds of the present invention include peptides or other organic molecules, and inorganic molecules. Suitable organic molecules include small organic molecules. Preferably, a therapeutic compound of the present invention is not harmful (e.g., toxic) to an animal when such compound is administered to an animal. Peptides refer to a class of compounds that is small in molecular weight and yields two or more amino acids upon hydrolysis. A polypeptide is comprised of two or more peptides. As used herein, a protein is comprised of one or more polypeptides. Preferred therapeutic compounds to design include peptides composed of “L” and/or “D” amino acids that are configured as normal or retroinverso peptides, peptidomimetic compounds, small organic molecules, or homo- or hetero-polymers thereof, in linear or branched configurations.

[0117] Therapeutic compounds of the present invention can be designed using structure based drug design. Until the discovery of the three dimensional structure of the present invention, no information was available for structure based development of therapeutic compounds based on the structure of FcR protein. Such rational development heretofore could not be executed de novo from available linear amino acid sequence information. Structure based drug design refers to the use of computer simulation to predict a conformation of a peptide, polypeptide, protein, or conformational interaction between a peptide or polypeptide, and a therapeutic compound. For example, generally, for a protein to effectively interact with a therapeutic compound, it is necessary that the three dimensional structure of the therapeutic compound assume a compatible conformation that allows the compound to bind to the protein in such a manner that a desired result is obtained upon binding. Knowledge of the three dimensional structure of the protein enables a skilled artisan to design a therapeutic compound having such compatible conformation. For example, knowledge of the three dimensional structure of the IgG binding site of FcγRIIa protein enables one of skill in the art to design a therapeutic compound that binds to FcγRIIa, is stable and results in inhibition of a biological response such as IgG binding to cells having FcγR, or cellular signal transduction, upon such binding. In addition, for example, knowledge of the three dimensional structure of the IgG binding site of FcγRIIa protein enables a skilled artisan to design a substrate analog of FcγRIIa protein.

[0118] Suitable structures and models useful for structure based drug design are disclosed herein. Preferred structures to use in a method of structure based drug design include a structure of FcγRIIa protein, a structure of FcεRI protein, a structure of an FcγRIIIb protein, and a model of a target FcR structure. Preferred models of target structures to use in a method of structure based drug design include models produced by any modeling method disclosed herein, including molecular replacement and fold recognition related methods.

[0119] One embodiment of the present invention is a computer-assisted method of structure based drug design of bioactive compounds, comprising: (a) providing a structure of a protein including a three dimensional structure of an FcR protein or a model of the present invention; (b) designing a chemical compound using the three dimensional structure or model; and (c) chemically synthesizing the chemical compound. Such a method can additionally include the step of (d) evaluating the bioactivity of the synthesized chemical compound. Suitable three dimensional structures an FcR protein and models to use with the present method are disclosed herein. According to the present invention, the step of designing can include creating a new chemical compound or searching databases of libraries of known compounds (e.g., a compound listed in a computational screening database containing three dimensional structures of known compounds). Designing can also be performed by simulating chemical compounds having substitute moieties at certain structural features. The step of designing can include selecting a chemical compound based on a known function of the compound. A preferred step of designing comprises computational screening of one or more databases of compounds in which the three dimensional structure of the compound is known and is interacted (e.g., docked, aligned, matched, interfaced) with the three dimensional structure of an FcR protein by computer (e.g. as described by Humblet and Dunbar, Animal Reports in Medicinal Chemistry, vol. 28, pp. 275-283, 1993, M Venuti, ed., Academic Press). Methods to synthesize suitable chemical compounds are known to those of skill in the art and depend upon the structure of the chemical being synthesized. Methods to evaluate the bioactivity of the synthesized compound depend upon the bioactivity of the compound (e.g., inhibitory or stimulatory) and are disclosed herein.

[0120] Various other methods of structure-based drug design are disclosed in Maulik et al., 1997, Molecular Biotechnology: Therapeutic Applications and Strategies, Wiley-Liss, Inc., which is incorporated herein by reference in its entirety. Maulik et al. disclose, for example, methods of directed design, in which the user directs the process of creating novel molecules from a fragment library of appropriately selected fragments; random design, in which the user uses a genetic or other algorithm to randomly mutate fragments and their combinations while simultaneously applying a selection criterion to evaluate the fitness of candidate ligands; and a grid-based approach in which the user calculates the interaction energy between three dimensional receptor structures and small fragment probes, followed by linking together of favorable probe sites.

[0121] Preferably, a chemical compound of the present invention that binds to the Ig binding site of an FcR protein is known to originate from a chemical compound having chemical and/or stereochemical complementarity with FcR protein and/or Ig. Such complementarity is characteristic of a chemical compound that matches the surface of the receptor either in shape or in distribution of chemical groups and binds to FcR protein to promote or inhibit Ig binding to the FcR protein, or to induce cellular signal transduction upon binding to FcR protein. More preferably, a chemical compound that binds to the Ig binding site of an FcR protein associates with an affinity of at least about 10−6 M, and more preferably with an affinity of at least about 10−8 M.

[0122] Preferably, five sites of FcR protein are targets for structure based drug design. These sites include the Ig-binding site of FcR protein, the upper groove between two FcR monomers, the dimerization interface between two FcR protein monomers, the lower groove between two FcR monomers, the interface, cleft or hinge region between Domains 1 and 2 of FcR protein, and combinations of any of these sites (e.g., interacting with the Ig-binding site and the upper groove between monomers simultaneously). A schematic representation of these sites is shown in FIG. 17, with “a” representing the Ig-binding site of FcR protein, “b” representing the upper groove between two FcR monomers, “c” representing the dimerization interface between two FcR protein monomers, “d” representing the interface, cleft or hinge region between Domains 1 and 2 of FcR protein, and “e” representing the lower groove between two FcR monomers. The following discussion provides specific detail on drug-design using target sites of the FcR and as an example, references preferred target sites on the FcγRIIa structure. It is to be understood, however, that one of skill in the art, using the description of the FcεRI structure and the FcγRIIIb structure provided herein, will be able to effectively select similar target sites on the FcεRI protein monomer and dimer for structure based drug design. Additionally, one of skill in the art, now being able to model the other FcR proteins based on the information provided herein, will also be able to effectively select similar target sites on the other FcR proteins for structure based drug design.

[0123] The Ig-binding site (FIG. 17; “a”) is targeted to directly affect the binding of FcR to Ig (i.e., inhibition or enhancement). The IgG binding site of FcγRIIa protein, for example, includes, but is not limited to, residues 155, 156, 158-160, 113-116, 129, 131, 133 and 134 of SEQ ID NO:3, and can also include at least a portion of the second site described above (FIG. 17; “b”), the groove between the two IgG binding sites that form upon dimerization of FcγRIIa protein. Residues from site “b” that are included in IgG binding include, but are not limited to, residues 117-121, 125-129, 150-154 and 157-161 of SEQ ID NO:3. A suitable target site for structure based drug design comprising the IgG binding site of FcγRIIa protein is illustrated in FIG. 7. More specifically, mutagenesis studies have identified several residues which have an effect on the binding of IgG, and the three dimensional structure disclosed herein clearly identifies which residues are surface exposed (i.e., are likely to participate in binding of IgG and are not just having an allosteric effect). These residues can be classified in three spatial groups: (1) Phe129, His131, Lys113, Pro114, Leu115, Val116; (2) Pro134 and Asp133; and (3) Leu159 and Ser161. Group (1) forms a continuous surface leading from the lip of the groove “b” (FIG. 17) across the binding surface “a” (FIG. 17), and represents the most preferred target of design work at the site of IgG binding. Group (2) is separated from Group (1) by Leu132, which is currently of unknown importance in the binding of IgG, and may well be part of the surface exposed residues. Group (3) contains residues which are remote from the other two groups and do not appear to be available to participate in binding of the IgG by the dimer structure.

[0124] The upper groove between the two monomers of the FcR (FIG. 17; “b”) is also targeted to directly affect the binding of FcR to Ig (i.e., inhibition or enhancement). The upper groove provides an attractive site to build into in contrast to targeting a flat protein surface. The dimer structure of the FcγRIIa protein suggests targeting C2 or pseudo C2 symmetric inhibitors. Preferred residues to target in the FcγRIIa protein include Lys117, His131, Phe129, Asn154, Ser161, Leu159, Thr152 and Phe121, with Phe129, Lys117 and His131 being most preferred. In one embodiment, compounds can be designed which interact with both the upper groove “b” and the IgG binding surface “a” simultaneously. For example, improved Ig regulatory compounds may be obtained by designing regulatory compounds which flow out of the groove and bind to the binding surface of “a” as described above. Alternatively, a regulatory compound which binds to “b” may sterically hinder binding of IgG to “a” without actually interacting with the “a” binding surface.

[0125] The receptor dimer interface (FIG. 17; “c”) is targeted to directly affect the ability of two FcR proteins to form a dimer, thereby affecting cellular signal transduction through one or both of the FcR proteins. Without being bound by theory, the present inventors believe that dimer formation can affect cellular signal transduction or affect the conformation of the Ig binding of one or both of the FcR proteins involved in the dimer, thereby affecting cellular signal transduction. In addition, the dimer interface represents an excellent target site because one monomer provides ligand information for the other monomer and vice versa. A suitable target site for structure based drug design comprising the dimerization interface between two FcγRIIa proteins is illustrated in FIG. 10. More specifically, residues 117-131 and residues 150-164 make up the interfacial area of the FcγRIIa dimer, and peptides from these sequences or their mimics may be binding inhibitors. An examination of hydrogen bonding interactions from the crystal structure of FcγRIIa indicates relatively few interactions between the monomers in the interfacial area, but a notable cluster is spanned by the hexapeptide Phe121-Gln122-Asn123-Gly124-Lys125-Ser126. Additionally, there is a hydrogen bond between the monomers involving Gly124-Ser561 and Ser126-Leu559. There are also some hydrophobic contacts made by the Lys125 sidechain and by the Phe121 phenyl ring.

[0126] The interface between Domains 1 and 2 (FIG. 17; “d”) is targeted to affect IgG binding to an FcγRIIa protein. The present inventors have discovered that in the three dimensional structure of FcγRIIa protein, Domain 1 makes close contact with Domain 2. In particular, a loop comprising residues 17-20 of SEQ ID NO:3 in Domain 1 lie close to the loops of Domain 2 to form at least a portion of the IgG-binding site. Interactions with IgG are believed to occur close to the D1D2 interface and so alterations at this site may effect Ig binding. Additionally, a cleft is defined by residues 12-14 (base), 6-10 and 77-80 (D1 face) and 93-96 and 101 (D2 face), and as such represents a potential site for inhibitor design. A suitable target site for structure based drug design comprising the interface between Domain 1 and Domain 2 of an FcγRIIa protein is illustrated in FIG. 5.

[0127] The lower groove between the two monomers of the FcR (FIG. 17; “e”) is also targeted to directly affect the binding of FcR to Ig (i.e., inhibition or enhancement). A similar design strategy can be used for this site as described above for the upper groove “b”, although it is less clear whether compounds binding to this site would be inhibitory, or more probably enhance IgG binding to the FcγR.

[0128] Drug design strategies as specifically described above with regard to residues and regions of the FcγRIIa monomer and dimer can be similarly applied to the other FcR structures, including the FcγRIIIb and FcεRI structures disclosed herein. One of ordinary skill in the art, using the art recognized modeling programs and drug design methods, many of which are described herein, will be able to modify the FcγRIIa design strategy according to differences in amino acid sequence and more favored structures, for example, in the other FcR, to similarly design compounds which regulate other FcR action. In addition, one of skill in the art could use lead compound structures derived from one FcR, such as the FcγRIIa protein, and taking into account differences in amino acid residues in another FcR protein, such as FcεRI, modify the FcγRIIa lead compound to design lead compound structures for regulation of the FcεRI protein. For example, His131>Tyr131 in the upper groove pharmacophore could be accommodated by changing an acidic moiety in an FcγRIIa lead compound structure to an electron deficient ketone moiety.

[0129] In the present method of structure based drug design, it is not necessary to align a candidate chemical compound (i.e., a chemical compound being analyzed in, for example, a computational screening method of the present invention) to each residue in a target site. Suitable candidate chemical compounds can align to a subset of residues described for a target site. Preferably, a candidate chemical compound comprises a conformation that promotes the formation of covalent or noncovalent crosslinking between the target site and the candidate chemical compound. Preferably, a candidate chemical compound binds to a surface adjacent to a target site to provide an additional site of interaction in a complex. When designing an antagonist (i.e., a chemical compound that inhibits the binding of a ligand to FcR protein by blocking a binding site or interface), the antagonist should bind with sufficient affinity to the binding site or to substantially prohibit a ligand (i.e., a molecule that specifically binds to the target site) from binding to a target area. It will be appreciated by one of skill in the art that it is not necessary that the complementarity between a candidate chemical compound and a target site extend over all residues specified here in order to inhibit or promote binding of a ligand.

[0130] In general, the design of a chemical compound possessing stereochemical complementarity can be accomplished by means of techniques that optimize, chemically or geometrically, the “fit” between a chemical compound and a target site. Such techniques are disclosed by, for example, Sheridan and Venkataraghavan, Acc. Chem Res., vol. 20, p. 322, 1987: Goodford, J. Med. Chem., vol. 27, p. 557, 1984; Beddell, Chem. Soc. Reviews, vol. 279, 1985; Hol, Angew. Chem., vol. 25, p. 767, 1986; and Verlinde and Hol, Structure, vol. 2, p. 577, 1994, each of which are incorporated by this reference herein in their entirety.

[0131] One embodiment of the present invention for structure based drug design comprises identifying a chemical compound that complements the shape of an FcR protein or a structure that is related to an FcR protein. Such method is referred to herein as a “geometric approach”. In a geometric approach of the present invention, the number of internal degrees of freedom (and the corresponding local minima in the molecular conformation space) is reduced by considering only the geometric (hard-sphere) interactions of two rigid bodies, where one body (the active site) contains “pockets” or “grooves” that form binding sites for the second body (the complementing molecule, such as a ligand).

[0132] The geometric approach is described by Kuntz et al., J. Mol. Biol., vol. 161, p. 269, 1982, which is incorporated by this reference herein in its entirety. The algorithm for chemical compound design can be implemented using the software program DOCK Package, Version 1.0 (available from the Regents of the University of California). Pursuant to the Kuntz algorithm, the shape of the cavity or groove on the surface of a structure (e.g., FcγRIIa protein) at a binding site or interface is defined as a series of overlapping spheres of different radii. One or more extant databases of crystallographic data (e.g., the Cambridge Structural Database System maintained by University Chemical Laboratory, Cambridge University, Lensfield Road, Cambridge CB2 lEW, U.K.) or the Protein Data Bank maintained by Brookhaven National Laboratory, is then searched for chemical compounds that approximate the shape thus defined.

[0133] Chemical compounds identified by the geometric approach can be modified to satisfy criteria associated with chemical complementarity, such as hydrogen bonding, ionic interactions or Van der Waals interactions.

[0134] Another embodiment of the present invention for structure based drug design comprises determining the interaction of chemical groups (“probes”) with an active site at sample positions within and around a binding site or interface, resulting in an array of energy values from which three dimensional contour surfaces at selected energy levels can be generated. This method is referred to herein as a “chemical-probe approach.” The chemical-probe approach to the design of a chemical compound of the present invention is described by, for example, Goodford, J. Med. Chem., vol. 28, p. 849, 1985, which is incorporated by this reference herein in its entirety, and is implemented using an appropriate software package, including for example, GRID (available from Molecular Discovery Ltd., Oxford OX2 9LL, U.K.). The chemical prerequisites for a site-complementing molecule can be identified at the outset, by probing the active site of an FcγRIIa protein, for example, (as represented by the atomic coordinates shown in Table 1) with different chemical probes, e.g., water, a methyl group, an amine nitrogen, a carboxyl oxygen and/or a hydroxyl. Preferred sites for interaction between an active site and a probe are determined. Putative complementary chemical compounds can be generated using the resulting three dimensional pattern of such sites.

[0135] A therapeutic composition of the present invention can comprise one or more therapeutic compounds of the present invention. A therapeutic composition can further comprise other compounds capable of reducing Ig-mediated responses or increasing a humoral immune response. For example, a therapeutic composition of the present invention useful for reducing tissue damage can also include compounds that block recruitment of inflammatory cells, such as by, for example, blocking complement fixation, extravasation, block binding of viral proteins to FcR, block opsinization or enhance normal and passive antibody immunity. A therapeutic composition of the present invention useful for reducing Ig-mediated inflammation can include compounds that block recruitment of inflammatory cells and/or block signal transduction pathway which leads to the release of inflammatory mediators.

[0136] A therapeutic composition of the present invention useful for increasing a humoral response can also include compounds that increase antibody production against an antigen (i.e., adjuvants), including, but not limited to, cytokines, chemokines, and compounds that induce the production of cytokines and chemokines (e.g., granulocyte macrophage colony stimulating factor (GM-CSF), granulocyte colony stimulating factor (G-CSF), macrophage colony stimulating factor (M-CSF), colony stimulating factor (CSF), erythropoietin (EPO), interleukin 2 (IL-2), interleukin-3 (IL-3), interleukin 4 (IL-4), interleukin 5 (IL-5), interleukin 6 (IL-6), interleukin 7 (IL-7), interleukin 8 (IL-8), interleukin 10 (IL-10), interleukin 12 (IL-12), interferon gamma, interferon gamma inducing factor I (IGIF), transforming growth factor beta, RANTES (regulated upon activation, normal T cell expressed and presumably secreted), macrophage inflammatory proteins (e.g., MIP-1 alpha and MIP-1 beta), bacterial components (e.g., endotoxins, in particular superantigens, exotoxins and cell wall components); aluminum-based salts; calcium-based salts; silica; polynucleotides; toxoids; serum proteins, viral coat proteins; block copolymer adjuvants (e.g., Hunter's Titermax™ adjuvant (Vaxce™, Inc. Norcross, Ga.), Ribi adjuvants (Ribi ImmunoChem Research, Inc., Hamilton, Mont.); and saponins and their derivatives (e.g., Quil A (Superfos Biosector A/S, Denmark).

[0137] A therapeutic composition of the present invention can be used to treat disease in an animal by administering such composition to an animal in such a manner that desired therapeutic results are obtained. Preferred animals to treat include mammals, marsupials, reptiles and birds, with humans, companion animals, food animals, zoo animals and other economically relevant animals (e.g., race horses and animals valued for their coats, such as chinchillas and minks). More preferred animals to treat include humans, dogs, cats, horses, cattle, sheep, swine, chickens, ostriches, emus, turkeys, koalas and kangaroos. Particularly preferred animals to protect are humans, dogs and cats.

[0138] A preferred therapeutic composition of the present invention also includes an excipient, an adjuvant and/or carrier. Suitable excipients include compounds that the animal to be treated can tolerate. Examples of such excipients include water, saline, Ringer's solution, dextrose solution, Hank's solution, and other aqueous physiologically balanced salt solutions. Nonaqueous vehicles, such as fixed oils, sesame oil, ethyl oleate, or triglycerides may also be used. Other useful formulations include suspensions containing viscosity enhancing agents, such as sodium carboxymethylcellulose, sorbitol, or dextran. Excipients can also contain minor amounts of additives, such as substances that enhance isotonicity and chemical stability. Examples of buffers include phosphate buffer, bicarbonate buffer and Tris buffer, while examples of preservatives include thimerosal, o-cresol, formalin and benzyl alcohol. Standard formulations can either be liquid injectables or solids which can be taken up in a suitable liquid as a suspension or solution for injection. Thus, in a non-liquid formulation, the excipient can comprise dextrose, human serum albumin, preservatives, etc., to which sterile water or saline can be added prior to administration.

[0139] In one embodiment of the present invention, a therapeutic composition can include a carrier. Carriers include compounds that increase the half-life of a therapeutic composition in the treated animal. Suitable carriers include, but are not limited to, polymeric controlled release vehicles, biodegradable implants, liposomes, bacteria, viruses, other cells, oils, esters, and glycols.

[0140] Acceptable protocols to administer therapeutic compositions of the present invention in an effective manner include individual dose size, number of doses, frequency of dose administration, and mode of administration. Determination of such protocols can be accomplished by those skilled in the art. Modes of administration can include, but are not limited to, subcutaneous, intradermal, intravenous, intranasal, oral, transdermal, intraocular and intramuscular routes.

[0141] Another embodiment of the present invention are diagnostic compounds capable of detecting altered FcR protein on or isolated from cells obtained from patients having abnormal immunity or inflammation. Using the methods of structure based drug design described herein, diagnostic reagents that bind to FcR protein can be developed using the three dimensional structure of FcR protein. Preferred diagnostic reagents of the present invention include molecules capable of binding to the Ig binding site of an FcR protein capable of binding to Ig and molecules capable of binding to circulating FcR protein obtained from patients with inflammation. Preferred diagnostic reagents include molecules that are immunogenic or can be chemically coupled to detectable compounds, such as radioisotopes, enzymes, dyes or biotin.

[0142] In a preferred embodiment, a therapeutic compound or diagnostic compound of the present invention comprises a protein engineered by recombinant DNA methods. 1

TABLE 1
REMARK Latest coordinates of the Fc Gamma Receptor IIa structure
REMARK Written by O version 5.10.1
REMARK Wed May 20 10:23:51 1998
CRYST1 79.221 100.866 28.172 90.00 90.00 90.00
ORIGX11.0000000.0000000.0000000.00000
ORIGX20.0000001.0000000.0000000.00000
ORIGX30.0000000.0000001.0000000.00000
SCALE10.0126230.0000000.0000000.00000
SCALE20.0000000.0099140.0000000.00000
SCALE30.0000000.0000000.0354960.00000
ATOM1CBALA136.64568.826−4.7021.0051.376
ATOM2CALA136.19968.294−2.2851.0042.226
ATOM3OALA136.80167.492−1.5691.0042.708
ATOM4NALA134.36768.121−3.9971.0045.747
ATOM5CAALA135.82967.992−3.7241.0043.686
ATOM6NPRO235.90369.499−1.8171.0040.547
ATOM7CDPRO235.14970.546−2.5331.0038.916
ATOM8CAPRO236.17269.844−0.4251.0038.616
ATOM9CBPRO235.76571.300−0.3221.0039.866
ATOM10CGPRO234.79071.513−1.4261.0041.366
ATOM11CPRO235.29468.9310.4341.0036.706
ATOM12OPRO234.18868.654−0.0421.0032.468
ATOM13NPRO335.78968.4961.5791.0033.827
ATOM14CDPRO337.12068.8572.1101.0035.166
ATOM15CAPRO335.06967.6372.4911.0038.256
ATOM16CBPRO335.87267.6393.7991.0037.396
ATOM17CGPRO337.18068.2673.4861.0037.416
ATOM18CPRO333.65368.1362.7901.0037.486
ATOM19OPRO333.39369.3352.6831.0034.398
ATOM20NLYS432.76367.2123.1731.0037.047
ATOM21CALYS431.39967.6783.4241.0034.976
ATOM22CBLYS430.31866.6643.1221.0043.986
ATOM23CGLYS430.56465.1913.2781.0047.646
ATOM24CDLYS429.77564.3492.2921.0052.036
ATOM25CELYS428.31764.7432.1371.0057.566
ATOM26NZLYS427.72464.2530.8551.0056.407
ATOM27CLYS431.24368.2344.8251.0031.446
ATOM28OLYS431.84667.7695.7841.0029.918
ATOM29NALA530.41669.2804.9081.0028.757
ATOM30CAALA530.03969.8136.2181.0027.216
ATOM31CBALA529.15571.0326.1101.0021.946
ATOM32CALA529.27868.6836.9231.0026.426
ATOM33OALA528.76067.7946.2221.0026.108
ATOM34NVAL629.23168.6748.2411.0024.917
ATOM35CAVAL628.51567.6328.9851.0026.956
ATOM36CBVAL629.49066.7389.7701.0029.366
ATOM37CG1VAL628.77965.72610.6761.0029.866
ATOM38CG2VAL630.43466.0248.8011.0026.746
ATOM39CVAL627.50368.2539.9421.0028.936
ATOM40OVAL627.84668.99410.8661.0031.468
ATOM41NLEU726.23367.9299.7581.0030.087
ATOM42CALEU725.10568.38310.5461.0029.336
ATOM43CBLEU723.83968.3469.6571.0033.186
ATOM44CGLEU722.82869.4589.9601.0034.946
ATOM45CD1LEU722.08269.8768.7211.0027.556
ATOM46CD2LEU721.88769.00211.0691.0032.306
ATOM47CLEU724.81667.56511.7941.0029.576
ATOM48OLEU724.65366.35111.8001.0030.048
ATOM49NLYS824.76868.24212.9301.0028.047
ATOM50CALYS824.56867.69214.2571.0025.126
ATOM51CBLYS825.73868.17915.1321.0033.326
ATOM52CGLYS825.77767.61116.5321.0039.376
ATOM53CDLYS825.96768.59817.6521.0043.846
ATOM54CELYS827.12969.56117.4871.0047.786
ATOM55NZLYS827.52570.17518.7931.0048.987
ATOM56CLYS823.23368.19214.7971.0024.536
ATOM57OLYS822.93469.38414.7391.0025.358
ATOM58NLEU922.42367.31015.3331.0024.787
ATOM59CALEU921.08067.55315.8431.0022.076
ATOM60CBLEU920.18966.48315.1901.0020.046
ATOM61CGLEU918.72566.36315.5961.0020.576
ATOM62CD1LEU917.98067.62415.2141.0019.576
ATOM63CD2LEU918.08465.13714.9031.0023.446
ATOM64CLEU921.01967.41517.3461.0021.016
ATOM65OLEU921.42466.39317.8691.0022.388
ATOM66NGLU1020.58368.41018.1181.0022.537
ATOM67CAGLU1020.48068.28519.5671.0021.026
ATOM68CBGLU1021.52369.18220.2701.0027.366
ATOM69CGAGLU1022.97168.77820.0900.5028.216
ATOM70CGBGLU1022.94668.65720.1950.5038.296
ATOM71CDAGLU1024.04769.78920.4220.5028.556
ATOM72CDBGLU1023.10067.20220.5870.5043.486
ATOM73OE1GLU1025.13169.36520.9070.5026.568
ATOM74OE1GLU1022.44366.77121.5650.5047.248
ATOM75OE2GLU1023.88871.00820.1860.5022.108
ATOM76OE2GLU1023.87166.48619.9080.5046.428
ATOM77CGLU1019.09668.72820.0081.0019.766
ATOM78OGLU1018.70169.84219.6131.0018.008
ATOM79NPRO1118.42367.99520.8881.0019.077
ATOM80CDPRO1117.05868.34021.3901.0018.716
ATOM81CAPRO1118.83466.66221.3191.0018.846
ATOM82CBPRO1117.80766.27222.3651.0017.386
ATOM83CGPRO1116.56067.00021.9441.0018.866
ATOM84CPRO1118.78765.75820.0901.0020.016
ATOM85OPRO1118.31066.21219.0511.0016.228
ATOM86NPRO1219.23264.51720.1551.0019.947
ATOM87CDPRO1219.91563.94821.3611.0021.086
ATOM88CAPRO1219.40963.70018.9761.0020.686
ATOM89CBPRO1220.45562.65619.3971.0019.826
ATOM90CGPRO1220.29262.56720.8721.0023.596
ATOM91CPRO1218.17963.06118.3951.0018.706
ATOM92OPRO1218.26862.47517.3181.0019.858
ATOM93NTRP1317.03963.16919.0591.0015.647
ATOM94CATRP1315.81562.56818.5611.0017.916
ATOM95CBTRP1314.68862.84019.5621.0014.326
ATOM96CGTRP1315.12462.74921.0061.0016.776
ATOM97CD2TRP1315.63361.61221.7031.0016.906
ATOM98CE2TRP1315.89962.00523.0321.0016.876
ATOM99CE3TRP1315.86760.27921.3501.0018.036
ATOM100CD1TRP1315.10663.76921.9161.0018.976
ATOM101NE1TRP1315.58963.34323.1371.0011.167
ATOM102CZ2TRP1316.40561.12423.9731.0015.926
ATOM103CZ3TRP1316.35859.40922.3011.0010.596
ATOM104CH2TRP1316.64559.82523.6111.0017.876
ATOM105CTRP1315.42163.03317.1631.0019.476
ATOM106OTRP1315.28364.23816.9081.0017.228
ATOM107NILE1415.10162.07816.2751.0016.577
ATOM108CAILE1414.66662.44114.9361.0018.936
ATOM109CBILE1415.18561.52313.8161.0016.076
ATOM110CG2ILE1416.72061.52113.8401.0016.616
ATOM111CG1ILE1414.58260.11913.9721.0021.356
ATOM112CD1ILE1415.04559.15012.8961.0026.286
ATOM113CILE1413.14462.54914.8251.0020.486
ATOM114OILE1412.65263.04813.8171.0019.418
ATOM115NASN1512.40362.08715.8361.0019.467
ATOM116CAASN1510.93562.27015.7781.0018.116
ATOM117CBASN1510.16160.96215.7311.0013.536
ATOM118CGASN1510.59159.94616.7621.0019.116
ATOM119OD1ASN1511.72859.95917.2271.0013.358
ATOM120ND2ASN159.68859.03317.1421.0010.117
ATOM121CASN1510.63263.12417.0051.0017.546
ATOM122OASN1511.01662.73518.1111.0015.328
ATOM123NVAL1610.12264.33116.8051.0016.867
ATOM124CAVAL169.87165.27317.8931.0015.776
ATOM125CBVAL1610.76166.53417.7481.0016.546
ATOM126CG1VAL1612.25166.14117.7331.0013.426
ATOM127CG2VAL1610.49067.34516.4911.0018.046
ATOM128CVAL168.42065.70817.9211.0019.016
ATOM129OVAL167.61865.38117.0101.0017.128
ATOM130NLEU178.02266.42218.9641.0017.687
ATOM131CALEU176.66466.96219.0681.0015.116
ATOM132CBLEU176.16266.72620.5221.0020.266
ATOM133CGLEU175.87365.25120.8231.0023.076
ATOM134CD1LEU175.44765.01322.2531.0017.706
ATOM135CD2LEU174.83264.71419.8551.0026.746
ATOM136CLEU176.56368.43918.7321.0016.376
ATOM137OLEU177.51869.18718.9611.0018.248
ATOM138NGLN185.42468.93118.2271.0018.557
ATOM139CAGLN185.23770.37018.0321.0019.136
ATOM140CBGLN183.79070.72117.6961.0031.656
ATOM141CGGLN183.51071.24916.3141.0037.326
ATOM142CDGLN182.12070.90215.8001.0036.926
ATOM143OE1GLN181.95370.03214.9431.0030.978
ATOM144NE2GLN181.13571.61816.3331.0031.737
ATOM145CGLN185.56171.07719.3481.0019.436
ATOM146OGLN185.19470.56820.4131.0018.108
ATOM147NGLU196.31772.16419.2321.0019.687
ATOM148CAGLU196.72773.04520.2931.0018.886
ATOM149CBGLU195.59773.34121.2931.0027.396
ATOM150CGGLU194.64974.41820.7141.0030.126
ATOM151CDGLU193.55874.69921.7201.0041.876
ATOM152OE1GLU193.85775.33022.7581.0048.838
ATOM153OE2GLU192.42174.27221.4641.0046.618
ATOM154CGLU198.00472.62220.9981.0021.466
ATOM155OGLU198.49673.40521.8151.0026.398
ATOM156NASP208.60671.50620.6191.0019.917
ATOM157CAASP209.89871.09421.1141.0020.766
ATOM158CBASP2010.28569.64920.7261.0013.476
ATOM159CGASP209.58768.57821.5261.0013.936
ATOM160OD1ASP208.87368.80522.5341.0017.578
ATOM161OD2ASP209.72367.40521.1041.0013.798
ATOM162CASP2011.00271.95020.4511.0019.586
ATOM163OASP2010.91372.21919.2621.0017.498
ATOM164NSER2112.07172.19821.1741.0017.227
ATOM165CASER2113.23372.92920.6591.0017.626
ATOM166CBASER2114.01173.52521.8440.5017.496
ATOM167CBBSER2113.98173.55621.8460.5013.146
ATOM168OGASER2114.90074.51621.3550.5022.958
ATOM169OGBSER2113.17574.57922.4160.506.858
ATOM170CSER2114.18172.03819.8731.0018.616
ATOM171OSER2114.42470.88420.2651.0021.418
ATOM172NVAL2214.63872.51218.7211.0015.807
ATOM173CAVAL2215.58571.73317.9101.0017.936
ATOM174CBVAL2215.05271.23416.5601.0020.376
ATOM175CG1VAL2216.09370.40115.8041.0017.776
ATOM176CG2VAL2213.85870.30016.6791.0017.266
ATOM177CVAL2216.82272.60917.6651.0019.206
ATOM178OVAL2216.63373.76917.2911.0018.528
ATOM179NTHR2318.02172.10717.9171.0016.327
ATOM180CATHR2319.24972.82317.6481.0019.996
ATOM181CBTHR2320.08073.12818.9111.0022.976
ATOM182OG1THR2319.19273.74919.8501.0018.428
ATOM183CG2THR2321.24174.05718.6141.0016.786
ATOM184CTHR2320.09872.01616.6581.0024.686
ATOM185OTHR2320.50970.88016.8971.0022.598
ATOM186NLEU2420.25772.61815.4671.0023.737
ATOM187CALEU2421.08172.05114.4231.0023.116
ATOM188CBLEU2420.42772.20613.0461.0020.256
ATOM189CGLEU2419.05371.48012.9591.0023.956
ATOM190CD1LEU2418.32471.85611.6811.0020.786
ATOM191CD2LEU2419.25169.98513.0491.0022.746
ATOM192CLEU2422.44472.76314.4501.0025.876
ATOM193OLEU2422.47074.00814.5371.0024.578
ATOM194NTHR2523.52071.98014.3671.0020.227
ATOM195CATHR2524.84772.60014.3361.0023.216
ATOM196CBTHR2525.65672.26515.5971.0027.696
ATOM197OG1THR2524.94572.73016.7551.0026.308
ATOM198CG2THR2527.04172.92515.5901.0028.496
ATOM199CTHR2525.60472.16613.0751.0022.316
ATOM200OTHR2525.70670.95112.8191.0023.868
ATOM201NCYS2626.09273.13412.3071.0018.687
ATOM202CACYS2626.83272.88811.0751.0023.206
ATOM203CCYS2628.34572.91011.3461.0023.066
ATOM204OCYS2628.95773.98011.5561.0023.768
ATOM205CBCYS2626.50973.8819.9581.0017.926
ATOM206SGCYS2627.13873.3588.3111.0022.2516
ATOM207NGLN2728.92971.72911.3551.0019.357
ATOM208CAGLN2730.33271.52111.6581.0023.306
ATOM209CBGLN2730.54370.20912.4641.0029.786
ATOM210CGGLN2729.62370.04413.6721.0031.506
ATOM211CDGLN2729.92768.82814.5181.0033.016
ATOM212OE1GLN2730.32267.77414.0321.0038.678
ATOM213NE2GLN2729.79268.89515.8341.0036.367
ATOM214CGLN2731.16971.41710.3771.0026.336
ATOM215OGLN2730.76470.8569.3471.0023.158
ATOM216NGLY2832.36372.01910.4381.0027.697
ATOM217CAGLY2833.28972.0199.3131.0028.026
ATOM218CGLY2834.02273.3609.2151.0029.416
ATOM219OGLY2833.63974.3359.8621.0028.468
ATOM220NALA2935.06273.4218.3891.0027.487
ATOM221CAALA2935.82474.6408.2101.0027.396
ATOM222CBALA2936.97974.3537.2391.0025.916
ATOM223CALA2934.95975.7307.5741.0028.276
ATOM224OALA2934.31575.4156.5611.0026.078
ATOM225NARG3035.06076.9518.0641.0023.977
ATOM226CAARG3034.30378.0557.4901.0027.176
ATOM227CBARG3033.57178.8238.6011.0030.346
ATOM228CGARG3032.57478.0909.4601.0034.056
ATOM229CDARG3032.36578.88010.7611.0033.866
ATOM230NEARG3032.40777.90211.8361.0038.607
ATOM231CZARG3032.48778.08213.1261.0038.086
ATOM232NH1ARG3032.56779.29813.6351.0036.517
ATOM233NH2ARG3032.46776.99013.8791.0046.137
ATOM234CARG3035.19479.1486.8801.0026.706
ATOM235OARG3036.39979.1427.0751.0029.228
ATOM236NSER3134.57380.1296.2461.0026.857
ATOM237CASER3135.31581.2845.7381.0026.566
ATOM238CBSER3134.68281.8464.4761.0025.036
ATOM239OGSER3134.56280.8753.4771.0027.598
ATOM240CSER3135.27382.3216.8611.0026.586
ATOM241OSER3134.39682.2467.7391.0023.918
ATOM242NPRO3236.16383.3086.8391.0023.487
ATOM243CDPRO3237.22483.4835.8421.0022.706
ATOM244CAPRO3236.17684.3507.8611.0024.756
ATOM245CBPRO3237.62184.8307.8051.0024.346
ATOM246CGPRO3238.09584.5716.4141.0023.776
ATOM247CPRO3235.17285.4497.5491.0029.236
ATOM248OPRO3235.47286.6097.2231.0028.288
ATOM249NGLU3333.91385.1217.7091.0029.777
ATOM250CAGLU3332.72585.8967.4171.0033.376
ATOM251CBAGLU3332.17785.4266.0730.5035.186
ATOM252CBBGLU3332.12385.4576.0840.5031.986
ATOM253CGAGLU3330.79584.8295.9520.5039.406
ATOM254CGBGLU3331.77683.9905.9540.5034.056
ATOM255CDAGLU3330.39484.5254.5210.5046.486
ATOM256CDBGLU3331.60183.5334.5170.5034.676
ATOM257OE1GLU3329.26884.8564.0760.5049.238
ATOM258OE1GLU3332.19484.1683.6190.5032.818
ATOM259OE2GLU3331.23283.9523.7880.5047.508
ATOM260OE2GLU3330.87782.5424.2750.5024.648
ATOM261CGLU3331.68385.6898.5191.0032.616
ATOM262OGLU3331.61284.6009.0851.0028.728
ATOM263NSER3430.84486.6828.7431.0032.157
ATOM264CASER3429.80486.5919.7641.0032.726
ATOM265CBSER3429.27788.01310.0371.0034.266
ATOM266OGSER3428.32087.93111.0931.0045.888
ATOM267CSER3428.66885.6749.3321.0030.936
ATOM268OSER3428.15684.88310.1241.0028.878
ATOM269NASP3528.22285.7738.0821.0028.027
ATOM270CAASP3527.16784.8587.5991.0028.626
ATOM271CBASP3526.29285.5386.5851.0029.656
ATOM272CGASP3525.35786.6397.0571.0037.436
ATOM273OD1ASP3525.02786.7698.2581.0033.538
ATOM274OD2ASP3524.90287.3966.1541.0036.018
ATOM275CASP3527.88283.6436.9731.0027.086
ATOM276OASP3527.99783.5665.7561.0028.078
ATOM277NSER3628.46182.7487.7741.0025.557
ATOM278CASER3629.28281.6807.2251.0027.456
ATOM279CBSER3630.44081.4318.2131.0034.876
ATOM280OGSER3629.97380.8029.4051.0039.518
ATOM281CSER3628.55880.3826.8901.0027.146
ATOM282OSER3629.14379.4216.3631.0025.678
ATOM283NILE3727.29380.2237.2311.0024.647
ATOM284CAILE3726.58078.9736.9771.0024.336
ATOM285CBILE3726.16478.3078.3091.0030.716
ATOM286CG2ILE3725.56176.9318.0321.0026.946
ATOM287CG1ILE3727.33378.2219.3081.0021.666
ATOM288CD1ILE3728.44377.2788.8671.0027.666
ATOM289CILE3725.33679.1596.1281.0024.086
ATOM290OILE3724.51580.0336.3901.0023.508
ATOM291NGLN3825.12278.3145.1271.0024.527
ATOM292CAGLN3823.86278.2964.3991.0023.136
ATOM293CBGLN3824.01678.0682.9051.0029.286
ATOM294CGGLN3824.45879.2962.1231.0029.866
ATOM295CDGLN3824.69278.9650.6611.0033.486
ATOM296OE1GLN3825.54078.1220.3231.0028.348
ATOM297NE2GLN3823.92279.668−0.1771.0038.547
ATOM298CGLN3823.04877.1284.9851.0023.816
ATOM299OGLN3823.59876.0225.0871.0022.628
ATOM300NTRP3921.80777.3865.3711.0021.437
ATOM301CATRP3920.98776.3045.9051.0021.736
ATOM302CBTRP3920.34576.6337.2571.0021.016
ATOM303CGTRP3921.26476.6338.4301.0017.586
ATOM304CD2TRP3921.72175.5239.2121.0017.006
ATOM305CE2TRP3922.56976.03310.2201.0016.716
ATOM306CE3TRP3921.49574.1479.1581.0021.476
ATOM307CD1TRP3921.84477.7508.9741.0019.926
ATOM308NE1TRP3922.62677.40010.0611.0022.187
ATOM309CZ2TRP3923.21875.22011.1521.0018.296
ATOM310CZ3TRP3922.10973.32910.0911.0021.626
ATOM311CH2TRP3922.96073.87411.0641.0020.156
ATOM312CTRP3919.89075.9934.8981.0022.766
ATOM313OTRP3919.40776.9254.2381.0023.428
ATOM314NPHE4019.53374.7014.7581.0022.917
ATOM315CAPHE4018.51274.3893.7541.0026.866
ATOM316CBPHE4019.12173.7222.5131.0024.166
ATOM317CGPHE4020.22574.4291.7881.0023.966
ATOM318CD1PHE4021.55174.2802.1891.0023.616
ATOM319CD2PHE4019.94575.2440.6961.0022.476
ATOM320CE1PHE4022.56474.9191.5041.0020.836
ATOM321CE2PHE4020.96775.8800.0201.0021.696
ATOM322CZPHE4022.26775.7400.4321.0021.866
ATOM323CPHE4017.46673.4354.3491.0023.516
ATOM324OPHE4017.83872.5885.1511.0021.948
ATOM325NHIS4116.23273.5753.9051.0021.597
ATOM326CAHIS4115.10772.7714.3661.0024.076
ATOM327CBHIS4114.03273.5725.0991.0018.726
ATOM328CGHIS4112.86472.7275.5481.0023.416
ATOM329CD2HIS4112.79471.4155.8991.0021.856
ATOM330ND1HIS4111.58873.2185.7091.0021.977
ATOM331CE1HIS4110.78972.2596.1351.0022.796
ATOM332NE2HIS4111.50471.1616.2681.0021.877
ATOM333CHIS4114.45572.1633.1151.0021.836
ATOM334OHIS4113.97272.9192.2821.0021.378
ATOM335NASN4214.57670.8472.9591.0022.087
ATOM336CAASN4214.07770.1961.7261.0020.466
ATOM337CBASN4212.56270.3221.7221.0018.216
ATOM338CGASN4211.92569.3972.7611.0022.746
ATOM339OD1ASN4212.47368.3433.0871.0024.408
ATOM340ND2ASN4210.80469.8043.3411.0018.437
ATOM341CASN4214.73370.8110.4881.0021.326
ATOM342OASN4214.08571.047−0.5331.0020.138
ATOM343NGLY4316.00271.2200.5681.0020.537
ATOM344CAGLY4316.76771.861−0.4801.0020.836
ATOM345CGLY4316.58673.360−0.6611.0024.516
ATOM346OGLY4317.20973.987−1.5501.0025.308
ATOM347NASN4415.63373.9700.0511.0021.277
ATOM348CAASN4415.39175.393−0.1121.0020.466
ATOM349CBASN4413.90375.7340.0001.0023.826
ATOM350CGASN4413.04974.834−0.8911.0022.266
ATOM351OD1ASN4412.14874.144−0.4091.0025.478
ATOM352ND2ASN4413.38274.787−2.1711.0021.597
ATOM353CASN4416.20876.1430.9371.0019.786
ATOM354OASN4416.18075.7782.1071.0022.078
ATOM355NLEU4516.90777.1880.5231.0022.227
ATOM356CALEU4517.73077.9621.4591.0021.676
ATOM357CBLEU4518.39179.1410.7151.0028.156
ATOM358CGLEU4519.15980.1711.5381.0029.146
ATOM359CD1LEU4520.47979.5712.0021.0025.076
ATOM360CD2LEU4519.45281.4660.7751.0028.516
ATOM361CLEU4516.82578.5592.5251.0022.276
ATOM362OLEU4515.74878.9972.1181.0020.138
ATOM363NILE4617.26378.6043.7661.0020.117
ATOM364CAILE4616.53979.3224.8351.0024.646
ATOM365CBILE4616.65778.5086.1321.0022.246
ATOM366CG2ILE4616.00779.1347.3581.0021.336
ATOM367CG1ILE4616.11177.0725.9451.0020.746
ATOM368CD1ILE4616.66476.1477.0241.0020.486
ATOM369CILE4617.35180.6255.0061.0025.536
ATOM370OILE4618.41980.6005.6241.0022.918
ATOM371NPRO4716.93781.7474.4441.0030.567
ATOM372CDPRO4715.70481.8843.6201.0032.616
ATOM373CAPRO4717.73182.9684.4341.0030.936
ATOM374CBPRO4717.03083.8363.3631.0031.286
ATOM375CGPRO4715.61083.4003.4411.0032.546
ATOM376CPRO4717.88883.7625.7061.0028.326
ATOM377OPRO4718.73384.6705.7471.0029.248
ATOM378NTHR4817.09283.5136.7301.0026.797
ATOM379CATHR4817.13584.2987.9711.0026.976
ATOM380CBTHR4815.69884.3238.5321.0031.786
ATOM381OG1THR4815.24182.9588.5201.0031.458
ATOM382CG2THR4814.79885.1507.6051.0027.406
ATOM383CTHR4818.07583.7579.0211.0026.316
ATOM384OTHR4818.20684.33410.1131.0028.008
ATOM385NHIS4918.69882.6028.7721.0024.447
ATOM386CAHIS4919.61281.9429.7071.0024.196
ATOM387CBHIS4918.95380.61010.1741.0025.116
ATOM388CGHIS4917.72280.93910.9611.0022.206
ATOM389CD2HIS4916.43081.10910.6241.0027.866
ATOM390ND1HIS4917.80981.22512.3061.0029.807
ATOM391CE1HIS4916.59581.52612.7621.0028.916
ATOM392NE2HIS4915.74881.47411.7611.0025.357
ATOM393CHIS4920.92381.5889.0411.0023.086
ATOM394OHIS4920.94280.8058.0751.0020.578
ATOM395NTHR5022.03882.1629.4971.0025.117
ATOM396CATHR5023.32181.9748.8071.0022.986
ATOM397CBTHR5023.73283.3148.1371.0023.016
ATOM398OG1THR5023.84384.2529.2311.0018.668
ATOM399CG2THR5022.75783.8177.1011.0019.076
ATOM400CTHR5024.46081.6459.7661.0024.616
ATOM401OTHR5025.64081.7729.3931.0026.178
ATOM402NGLN5124.12681.27410.9851.0024.527
ATOM403CAGLN5125.13280.97911.9951.0027.316
ATOM404CBGLN5124.70881.50513.3781.0028.636
ATOM405CGGLN5124.43883.01413.3781.0032.816
ATOM406CDGLN5125.67783.81012.9951.0038.536
ATOM407OE1GLN5126.60683.95213.8021.0037.608
ATOM408NE2GLN5125.72484.33111.7651.0032.797
ATOM409CGLN5125.41179.48712.1011.0026.696
ATOM410OGLN5124.62678.63611.6891.0026.278
ATOM411NPRO5226.51079.13812.7691.0025.167
ATOM412CDPRO5227.55380.09113.2701.0024.546
ATOM413CAPRO5226.91777.76312.9741.0025.246
ATOM414CBPRO5228.26477.88813.7081.0026.096
ATOM415CGPRO5228.80479.21713.2571.0023.356
ATOM416CPRO5225.90076.91513.7221.0025.716
ATOM417OPRO5225.87775.68713.5421.0021.618
ATOM418NSER5325.04477.49714.5561.0024.057
ATOM419CASER5323.99176.77315.2391.0025.636
ATOM420CBSER5324.10576.71116.7581.0031.866
ATOM421OGSER5324.77875.49517.0941.0042.468
ATOM422CSER5322.68177.46014.8541.0024.856
ATOM423OSER5322.68178.67314.6911.0023.688
ATOM424NTYR5421.65876.68914.6141.0024.527
ATOM425CATYR5420.33377.16714.2121.0026.296
ATOM426CBTYR5420.05076.88612.7291.0026.926
ATOM427CGTYR5418.61276.99812.2741.0030.156
ATOM428CD1TYR5417.71977.90512.8251.0029.186
ATOM429CE1TYR5416.40778.00612.4091.0031.266
ATOM430CD2TYR5418.10476.16611.2801.0031.676
ATOM431CE2TYR5416.79676.21710.8551.0031.666
ATOM432CZTYR5415.95077.15111.4291.0033.636
ATOM433OHTYR5414.62477.21911.0381.0034.538
ATOM434CTYR5419.37876.45015.1671.0024.846
ATOM435OTYR5419.30075.21015.1291.0022.538
ATOM436NARG5518.77377.18116.0701.0021.667
ATOM437CAARG5517.86476.65017.0701.0023.606
ATOM438CBARG5518.24277.15718.4801.0025.956
ATOM439CGARG5517.47876.34019.5511.0023.986
ATOM440CDARG5517.65176.98220.9181.0035.386
ATOM441NEARG5516.82176.36521.9561.0027.477
ATOM442CZARG5517.27875.53022.8791.0033.106
ATOM443NH1ARG5518.57075.20922.9041.0030.007
ATOM444NH2ARG5516.41875.04923.7781.0032.667
ATOM445CARG5516.43477.10316.8021.0027.496
ATOM446OARG5516.27578.31216.5691.0022.628
ATOM447NPHE5615.45576.17416.7811.0023.787
ATOM448CAPHE5614.09276.63616.5101.0021.926
ATOM449CBPHE5613.71676.49515.0361.0025.996
ATOM450CGPHE5613.81975.13114.3861.0020.846
ATOM451CD1PHE5615.01974.65313.8971.0021.336
ATOM452CD2PHE5612.70574.31914.2641.0020.316
ATOM453CE1PHE5615.10373.41513.2831.0021.526
ATOM454CE2PHE5612.76873.07713.6801.0018.366
ATOM455CZPHE5613.97372.61613.1591.0018.386
ATOM456CPHE5613.09575.86217.3721.0023.936
ATOM457OPHE5613.45474.83317.9211.0022.428
ATOM458NLYS5711.86576.34017.4231.0022.467
ATOM459CALYS5710.73575.65918.0541.0024.346
ATOM460CBALYS579.89276.62018.8810.5028.516
ATOM461CBBLYS579.82276.72718.6690.5022.876
ATOM462CGALYS5710.65677.29820.0100.5033.646
ATOM463CGBLYS578.76976.20819.6320.5024.296
ATOM464CDALYS5711.43676.34220.8920.5040.756
ATOM465CDBLYS578.63177.18620.7980.5026.906
ATOM466CEALYS5712.61276.99021.6030.5043.076
ATOM467CEBLYS579.13876.60422.0920.5029.796
ATOM468NZALYS5712.70376.63023.0440.5051.717
ATOM469NZBLYS578.05076.26523.0600.5036.227
ATOM470CLYS579.95074.92316.9691.0021.306
ATOM471OLYS579.43675.55116.0521.0019.468
ATOM472NALA589.92873.58816.9451.0018.237
ATOM473CAALA589.34172.86415.8211.0015.746
ATOM474CBALA589.61271.36116.0941.009.096
ATOM475CALA587.84173.03415.6141.0020.266
ATOM476OALA587.06773.06416.5741.0018.048
ATOM477NASN597.39273.12614.3671.0018.317
ATOM478CAASN595.98673.07114.0191.0023.046
ATOM479CBASN595.22274.30113.6121.0032.396
ATOM480CGASN595.88075.64313.6651.0038.266
ATOM481OD1ASN595.85576.27914.7161.0042.508
ATOM482ND2ASN596.42676.06612.5291.0043.397
ATOM483CASN595.82572.05212.8671.0024.076
ATOM484OASN596.79471.47612.3651.0021.258
ATOM485NASN604.58271.83312.4841.0024.407
ATOM486CAASN604.19270.82311.5191.0031.476
ATOM487CBASN602.68070.89311.2341.0031.466
ATOM488CGAASN602.27269.77610.2740.5031.266
ATOM489CGBASN602.22172.27210.8140.5035.726
ATOM490OD1ASN602.33768.58210.5970.5022.528
ATOM491OD1ASN602.98573.24010.7680.5033.048
ATOM492ND2ASN601.86370.1759.0700.5026.047
ATOM493ND2ASN600.93272.39110.4830.5039.477
ATOM494CASN605.00670.94310.2341.0029.056
ATOM495OASN605.64569.9869.7801.0032.278
ATOM496NASN615.09872.1539.7101.0030.207
ATOM497CAAASN615.86372.4878.5290.5028.686
ATOM498CABASN615.85772.3678.4770.5029.136
ATOM499CBAASN615.56473.9558.1500.5026.196
ATOM500CBBASN615.40373.6717.8060.5030.256
ATOM501CGAASN614.10174.1277.7920.5027.016
ATOM502CGBASN615.60874.8828.6780.5032.366
ATOM503OD1ASN613.50275.1258.1840.5028.588
ATOM504OD1ASN616.38374.8209.6370.5033.388
ATOM505ND2ASN613.52673.1727.0710.5034.397
ATOM506ND2ASN614.92775.9918.3840.5033.527
ATOM507CASN617.37172.3368.6281.0025.336
ATOM508OASN618.03072.5357.6171.0021.468
ATOM509NASP627.93271.9789.7671.0024.897
ATOM510CAASP629.37371.8429.9411.0021.376
ATOM511CBASP629.74972.28411.3721.0016.896
ATOM512CGASP629.62073.78211.5381.0026.206
ATOM513OD1ASP629.82474.54910.5701.0020.818
ATOM514OD2ASP629.27674.27312.6111.0017.908
ATOM515CASP629.88770.4399.6451.0018.696
ATOM516OASP6211.10470.2099.6541.0020.508
ATOM517NSER639.01169.4779.3941.0019.817
ATOM518CASER639.43468.1329.0151.0019.846
ATOM519CBSER638.26867.1648.8111.0022.046
ATOM520OGSER637.50667.01810.0091.0020.028
ATOM521CSER6310.19668.2047.6821.0023.896
ATOM522OSER6310.01569.1606.9111.0017.928
ATOM523NGLY6411.05667.1957.4671.0019.507
ATOM524CAGLY6411.76967.1916.1901.0022.236
ATOM525CGLY6413.27266.9656.3401.0019.816
ATOM526OGLY6413.74466.5647.3991.0018.938
ATOM527NGLU6513.98067.2265.2381.0017.017
ATOM528CAGLU6515.42867.0135.2691.0021.396
ATOM529CBAGLU6515.93466.5623.9010.5013.646
ATOM530CBBGLU6515.93366.4463.9470.5023.816
ATOM531CGAGLU6516.50765.1583.8130.5015.716
ATOM532CGBGLU6515.40965.0593.6020.5032.156
ATOM533CDAGLU6516.65664.6792.3810.5022.336
ATOM534CDBGLU6515.89863.9654.5200.5040.566
ATOM535OE1GLU6517.42865.2631.5860.5022.708
ATOM536OE1GLU6516.57864.2715.5250.5041.838
ATOM537OE2GLU6515.99163.6862.0140.5031.048
ATOM538OE2GLU6515.62462.7584.2780.5046.028
ATOM539CGLU6516.15568.3245.5931.0021.566
ATOM540OGLU6515.75669.3255.0071.0021.418
ATOM541NTYR6617.17268.2686.4581.0021.387
ATOM542CATYR6617.96669.4836.6911.0017.916
ATOM543CBTYR6617.95469.9848.1291.0017.396
ATOM544CGTYR6616.62070.5638.5341.0018.086
ATOM545CD1TYR6615.60569.6868.9571.0018.566
ATOM546CE1TYR6614.36970.1479.3231.0016.486
ATOM547CD2TYR6616.34871.9218.4851.0018.236
ATOM548CE2TYR6615.10272.3828.8671.0018.376
ATOM549CZTYR6614.12471.5169.2791.0018.986
ATOM550OHTYR6612.87271.9399.6241.0014.148
ATOM551CTYR6619.37969.2316.2121.0013.966
ATOM552OTYR6619.92368.1356.3531.0018.148
ATOM553NTHR6720.01070.2285.5681.0017.957
ATOM554CATHR6721.37470.1385.1171.0018.066
ATOM555CBTHR6721.51469.8443.5991.0022.526
ATOM556OG1THR6720.66970.7372.8351.0016.858
ATOM557CG2THR6721.21568.3713.3091.0017.466
ATOM558CTHR6722.04471.5085.3841.0018.766
ATOM559OTHR6721.35472.5155.5671.0017.478
ATOM560NCYS6823.35471.5405.3891.0019.747
ATOM561CACYS6824.09972.7925.5971.0023.506
ATOM562CCYS6825.38272.7594.7581.0023.126
ATOM563OCYS6825.79171.7124.2791.0025.078
ATOM564CBCYS6824.43473.0827.0551.0018.706
ATOM565SGCYS6825.67571.9857.7981.0023.4516
ATOM566NGLN6925.97573.9204.5341.0024.477
ATOM567CAGLN6927.17474.1213.7701.0024.996
ATOM568CBGLN6926.90974.3442.2641.0027.226
ATOM569CGGLN6928.15574.0571.4191.0025.146
ATOM570CDGLN6927.85774.022−0.0651.0032.436
ATOM571OE1GLN6926.71074.166−0.4871.0031.348
ATOM572NE2GLN6928.89673.814−0.8741.0027.897
ATOM573CGLN6927.90175.3834.2661.0027.606
ATOM574OGLN6927.28976.3524.7341.0025.378
ATOM575NTHR7029.20675.3184.1151.0028.737
ATOM576CATHR7030.05976.4654.4391.0032.106
ATOM577CBTHR7031.12576.1535.4911.0033.366
ATOM578OG1THR7030.61975.3116.5531.0045.268
ATOM579CG2THR7031.45377.4446.2101.0050.206
ATOM580CTHR7030.73776.8903.1381.0032.776
ATOM581OTHR7030.68076.1702.1301.0030.758
ATOM582NGLY7131.47278.0073.1751.0031.837
ATOM583CAGLY7132.22478.4692.0331.0027.976
ATOM584CGLY7133.37677.5441.6901.0029.946
ATOM585OGLY7133.93877.6680.5961.0032.378
ATOM586NGLN7233.84276.7072.5941.0024.867
ATOM587CAGLN7234.92075.7792.4571.0027.146
ATOM588CBGLN7235.86875.9743.6671.0027.316
ATOM589CGGLN7236.29177.4513.8251.0030.516
ATOM590CDGLN7236.96177.9952.5671.0030.536
ATOM591OE1GLN7237.98177.4412.1611.0039.958
ATOM592NE2GLN7236.40279.0141.9441.0031.167
ATOM593CGLN7234.53074.3052.4411.0029.606
ATOM594OGLN7235.41973.4422.5781.0030.828
ATOM595NTHR7333.24873.9542.3801.0025.837
ATOM596CATHR7332.86172.5492.4261.0026.626
ATOM597CBTHR7332.27872.1353.7921.0026.646
ATOM598OG1THR7331.22673.0514.1381.0027.548
ATOM599CG2THR7333.31372.1244.8971.0028.166
ATOM600CTHR7331.82472.2231.3711.0026.316
ATOM601OTHR7331.21073.1100.7761.0028.008
ATOM602NSER7431.68570.9271.0741.0028.627
ATOM603CASER7430.59270.6050.1121.0029.446
ATOM604CBSER7431.02069.470−0.8031.0030.456
ATOM605OGSER7431.40768.3990.0341.0041.058
ATOM606CSER7429.36670.3950.9921.0026.656
ATOM607OSER7429.46170.4382.2281.0025.578
ATOM608NLEU7528.17870.2810.4421.0029.477
ATOM609CALEU7526.91570.1631.1581.0025.106
ATOM610CBLEU7525.74970.1410.1591.0027.836
ATOM611CGLEU7524.34870.1360.7771.0027.246
ATOM612CD1LEU7523.88871.5541.0941.0024.136
ATOM613CD2LEU7523.34969.420−0.1331.0024.426
ATOM614CLEU7526.88468.9732.0871.0025.846
ATOM615OLEU7527.30067.8581.7111.0022.458
ATOM616NSER7626.37669.1583.3151.0023.317
ATOM617CASER7626.35768.0094.2191.0025.206
ATOM618CBSER7625.91668.4025.6441.0026.646
ATOM619OGSER7624.51468.6635.6241.0029.438
ATOM620CSER7625.34666.9553.7381.0023.006
ATOM621OSER7624.43167.3043.0061.0021.028
ATOM622NASP7725.50665.7394.2411.0022.247
ATOM623CAASP7724.49364.7124.0941.0026.036
ATOM624CBASP7724.90763.3624.6831.0020.276
ATOM625CGASP7725.91462.6763.7581.0025.736
ATOM626OD1ASP7725.82162.8932.5411.0023.798
ATOM627OD2ASP7726.76961.9544.2921.0028.928
ATOM628CASP7723.26765.1914.9291.0025.856
ATOM629OASP7723.42365.9045.9141.0024.008
ATOM630NPRO7822.09864.7584.4921.0027.377
ATOM631CDPRO7821.91763.9173.2751.0026.846
ATOM632CAPRO7820.84965.1305.0981.0025.426
ATOM633CBPRO7819.79564.5924.1411.0028.386
ATOM634CGPRO7820.45363.5863.2721.0027.246
ATOM635CPRO7820.57564.5566.4791.0025.286
ATOM636OPRO7821.00663.4596.8201.0023.688
ATOM637NVAL7919.83365.3317.2651.0020.247
ATOM638CAVAL7919.28764.8618.5351.0018.866
ATOM639CBVAL7919.85065.5169.7831.0019.496
ATOM640CG1VAL7919.04265.23911.0461.0022.256
ATOM641CG2VAL7921.27564.95910.0361.0021.956
ATOM642CVAL7917.77765.0468.3991.0019.766
ATOM643OVAL7917.28366.1308.0761.0022.348
ATOM644NHIS8017.02463.9558.5661.0019.437
ATOM645CAHIS8015.58463.9768.3871.0018.116
ATOM646CBHIS8015.13062.6217.7841.0026.876
ATOM647CGHIS8013.71262.7547.2931.0031.936
ATOM648CD2HIS8013.19462.9836.0691.0027.056
ATOM649ND1HIS8012.63762.6978.1761.0034.357
ATOM650CE1HIS8011.52562.8477.4801.0034.806
ATOM651NE2HIS8011.83163.0166.2101.0034.817
ATOM652CHIS8014.86564.1879.7181.0023.086
ATOM653OHIS8015.09663.49610.7091.0023.378
ATOM654NLEU8113.95365.1389.7471.0019.187
ATOM655CALEU8113.24465.47810.9571.0021.586
ATOM656CBLEU8113.56766.93711.3311.0018.206
ATOM657CGLEU8112.84767.38112.6051.0018.216
ATOM658CD1LEU8113.49666.70813.8121.0019.396
ATOM659CD2LEU8112.86568.91212.6961.0014.766
ATOM660CLEU8111.74765.25510.7831.0019.366
ATOM661OLEU8111.22565.5439.7201.0020.968
ATOM662NTHR8211.10064.68911.7931.0019.617
ATOM663CATHR829.64264.46311.6801.0018.456
ATOM664CBTHR829.31662.95011.6831.0025.986
ATOM665OG1THR829.90762.35110.5271.0018.898
ATOM666CG2THR827.79562.77511.6661.0024.986
ATOM667CTHR828.97165.10012.8911.0016.026
ATOM668OTHR829.24864.73514.0351.0014.798
ATOM669NVAL838.07566.04512.6471.0016.237
ATOM670CAVAL837.45166.75813.7531.0016.976
ATOM671CBVAL837.55968.28213.5301.0012.816
ATOM672CG1VAL837.05168.97214.7991.0015.926
ATOM673CG2VAL838.98668.76013.2461.0011.786
ATOM674CVAL836.02066.26413.8921.0019.976
ATOM675OVAL835.26166.32912.9181.0018.578
ATOM676NLEU845.68665.75615.0751.0016.897
ATOM677CALEU844.37265.18815.3121.0019.896
ATOM678CBLEU844.62163.78615.8901.0018.156
ATOM679CGLEU845.49162.86315.0211.0023.406
ATOM680CD1LEU845.92761.69015.8681.0025.206
ATOM681CD2LEU844.75262.39613.7581.0020.466
ATOM682CLEU843.48766.01616.2281.0022.296
ATOM683OLEU843.92866.89116.9751.0023.908
ATOM684NPHE852.18965.75016.2181.0021.037
ATOM685CAPHE851.25466.44417.1111.0022.926
ATOM686CBPHE850.39967.43116.3331.0021.766
ATOM687CGPHE85−0.44068.35017.1841.0027.906
ATOM688CD1PHE850.10369.01318.2661.0028.306
ATOM689CD2PHE85−1.78768.53316.8991.0026.616
ATOM690CE1PHE85−0.66469.87419.0401.0029.656
ATOM691CE2PHE85−2.55969.38617.6681.0025.616
ATOM692CZPHE85−1.99670.04718.7331.0028.756
ATOM693CPHE850.45565.39917.8521.0021.996
ATOM694OPHE85−0.64265.00017.4261.0022.118
ATOM695NGLU861.02364.88318.9381.0020.767
ATOM696CAGLU860.42163.76219.7021.0018.046
ATOM697CBGLU861.14262.46319.2101.0020.846
ATOM698CGGLU860.71161.81517.9111.0025.056
ATOM699CDGLU861.64761.04817.0191.0041.966
ATOM700OE1GLU862.71960.50717.4161.0046.148
ATOM701OE2GLU861.42960.89315.7651.0040.778
ATOM702CGLU860.69464.02621.1761.0018.466
ATOM703OGLU861.58864.83921.4621.0016.678
ATOM704NTRP870.03163.40822.1561.0012.607
ATOM705CATRP870.32863.63123.5531.0013.016
ATOM706CBTRP87−0.80863.05624.4111.0018.406
ATOM707CGTRP87−1.92264.02324.6871.0021.876
ATOM708CD2TRP87−1.81265.17625.5211.0021.146
ATOM709CE2TRP87−3.06565.80525.5261.0024.316
ATOM710CE3TRP87−0.76765.73826.2551.0024.846
ATOM711CD1TRP87−3.21663.98524.2311.0022.526
ATOM712NE1TRP87−3.90765.06924.7341.0022.537
ATOM713CZ2TRP87−3.30366.96626.2661.0029.916
ATOM714CZ3TRP87−0.99866.89026.9871.0029.836
ATOM715CH2TRP87−2.25467.49926.9701.0029.096
ATOM716CTRP871.59962.96724.0681.0015.446
ATOM717OTRP872.17863.49925.0181.0016.688
ATOM718NLEU882.03661.87323.4471.0014.447
ATOM719CALEU883.15361.05123.8611.0020.076
ATOM720CBLEU882.59659.94224.7831.0017.496
ATOM721CGLEU883.60859.30325.7691.0016.976
ATOM722CD1LEU884.06260.29926.8301.0017.386
ATOM723CD2LEU882.98758.05326.3701.0013.936
ATOM724CLEU883.88960.39922.6771.0020.446
ATOM725OLEU883.25559.85721.7521.0019.658
ATOM726NVAL895.21860.51722.6201.0018.117
ATOM727CAVAL895.99859.92621.5421.0014.666
ATOM728CBAVAL896.68661.02920.6990.507.526
ATOM729CBBVAL896.67760.94120.6040.5013.866
ATOM730CG1VAL897.57361.89021.5970.507.136
ATOM731CG1VAL895.69661.40919.5430.5015.876
ATOM732CG2VAL897.50160.48619.5310.503.916
ATOM733CG2VAL897.26462.09021.4020.5018.656
ATOM734CVAL897.10959.03222.1071.0015.716
ATOM735OVAL897.68959.26223.1791.0014.528
ATOM736NLEU907.37957.95821.3861.0015.137
ATOM737CALEU908.52057.13321.7031.0013.726
ATOM738CBLEU908.28755.62521.4881.0017.876
ATOM739CGLEU909.65054.97821.8731.0026.076
ATOM740CD1LEU909.47954.06623.0361.0030.576
ATOM741CD2LEU9010.37354.46320.6621.0025.076
ATOM742CLEU909.65757.67420.8031.0017.586
ATOM743OLEU909.61157.51719.5761.0014.468
ATOM744NGLN9110.67358.29821.4121.0015.837
ATOM745CAGLN9111.74558.90820.6231.0017.706
ATOM746CBGLN9112.25260.23821.2641.0015.036
ATOM747CGGLN9111.10561.23121.4721.0012.816
ATOM748CDGLN9111.56462.63621.8681.0015.796
ATOM749OE1GLN9112.02362.82322.9881.0014.618
ATOM750NE2GLN9111.40963.61020.9841.0016.277
ATOM751CGLN9112.97158.04220.3751.0017.716
ATOM752OGLN9113.37057.29621.2681.0019.378
ATOM753NTHR9213.60758.20719.2181.0014.057
ATOM754CATHR9214.85357.48818.9341.0019.016
ATOM755CBTHR9214.56256.22518.0891.0016.406
ATOM756OG1THR9215.76955.48517.9051.0018.398
ATOM757CG2THR9213.94356.49916.7201.0010.456
ATOM758CTHR9215.80358.41618.1731.0018.966
ATOM759OTHR9215.33959.27217.4091.0021.888
ATOM760NPRO9317.09558.15318.2511.0018.787
ATOM761CDPRO9317.74757.16919.1351.0022.166
ATOM762CAPRO9318.09058.92917.5301.0024.376
ATOM763CBPRO9319.35258.80318.3711.0024.996
ATOM764CGPRO9319.16257.60919.2351.0026.056
ATOM765CPRO9318.28558.36216.1381.0027.026
ATOM766OPRO9318.85259.01915.2481.0027.048
ATOM767NHIS9417.97857.06915.9601.0024.227
ATOM768CAHIS9418.11456.42114.6511.0025.726
ATOM769CBHIS9419.44455.69014.4391.0020.096
ATOM770CGHIS9420.63956.58714.5951.0021.676
ATOM771CD2HIS9421.16157.53013.7981.0023.306
ATOM772ND1HIS9421.38056.59515.7541.0027.497
ATOM773CE1HIS9422.33857.50115.6571.0026.546
ATOM774NE2HIS9422.21158.07814.4821.0032.107
ATOM775CHIS9417.03855.35014.4531.0024.496
ATOM776OHIS9416.48154.83815.4291.0024.018
ATOM777NLEU9516.84754.92913.2141.0021.967
ATOM778CALEU9515.90053.84712.9601.0026.066
ATOM779CBLEU9515.01454.11811.7411.0026.666
ATOM780CGLEU9513.99455.24811.8991.0035.196
ATOM781CD1LEU9513.44955.60110.5251.0025.666
ATOM782CD2LEU9512.89554.90812.9001.0024.136
ATOM783CLEU9516.62652.52512.7201.0026.306
ATOM784OLEU9515.99951.46412.7901.0026.838
ATOM785NGLU9617.88452.60112.3261.0025.447
ATOM786CAGLU9618.68851.41312.0871.0028.556
ATOM787CBGLU9619.06251.14410.6341.0028.976
ATOM788CGGLU9617.97751.3349.6051.0034.466
ATOM789CDGLU9618.41451.1098.1681.0042.076
ATOM790OE1GLU9619.56050.7097.8821.0041.538
ATOM791OE2GLU9617.59251.3437.2561.0045.318
ATOM792CGLU9619.99551.57512.8851.0032.226
ATOM793OGLU9620.52552.68613.0151.0031.688
ATOM794NPHE9720.39650.48713.5381.0029.387
ATOM795CAPHE9721.62250.44714.3151.0031.456
ATOM796CBPHE9721.38850.35115.8321.0029.886
ATOM797CGPHE9720.64051.49716.4641.0028.916
ATOM798CD1PHE9719.25651.58016.3861.0019.886
ATOM799CD2PHE9721.31152.50317.1311.0027.066
ATOM800CE1PHE9718.55752.62416.9711.0023.296
ATOM801CE2PHE9720.62253.54517.7191.0023.276
ATOM802CZPHE9719.24453.62617.6361.0025.876
ATOM803CPHE9722.45549.23313.8611.0031.116
ATOM804OPHE9722.00748.33413.1641.0032.318
ATOM805NGLN9823.72649.21314.2191.0034.147
ATOM806CAGLN9824.63648.13113.9391.0033.316
ATOM807CBGLN9826.04248.62913.6351.0038.156
ATOM808CGGLN9826.20749.42212.3561.0045.656
ATOM809CDGLN9825.76348.71211.0971.0049.996
ATOM810OE1GLN9826.45547.82810.5891.0052.588
ATOM811NE2GLN9824.60349.08810.5631.0053.067
ATOM812CGLN9824.66247.21815.1721.0031.486
ATOM813OGLN9824.45947.66416.3001.0027.988
ATOM814NGLU9924.99045.95514.9201.0030.757
ATOM815CAGLU9925.11244.97816.0091.0032.566
ATOM816CBGLU9925.59843.65315.4201.0036.896
ATOM817CGGLU9925.20442.39216.1411.0044.866
ATOM818CDGLU9924.77141.28815.1841.0048.456
ATOM819OE1GLU9923.80240.57315.5211.0053.908
ATOM820OE2GLU9925.40041.14814.1181.0050.568
ATOM821CGLU9926.13045.55116.9801.0031.146
ATOM822OGLU9927.13646.04816.4751.0031.948
ATOM823NGLY10025.91945.57118.2751.0032.197
ATOM824CAGLY10026.87446.12319.2171.0031.106
ATOM825CGLY10026.64347.54119.6961.0031.516
ATOM826OGLY10027.08247.93120.7891.0030.308
ATOM827NGLU10125.94848.36918.9211.0034.417
ATOM828CAGLU10125.67549.74619.2971.0034.076
ATOM829CBGLU10124.94950.45218.1481.0037.866
ATOM830CGGLU10125.77750.67616.8891.0048.386
ATOM831CDGLU10124.98451.52015.8951.0049.176
ATOM832OE1GLU10124.25152.40816.3851.0058.518
ATOM833OE2GLU10125.04651.33314.6691.0048.568
ATOM834CGLU10124.78349.84820.5371.0033.066
ATOM835OGLU10124.08648.88820.8861.0027.708
ATOM836NTHR10224.74751.05721.1071.0031.927
ATOM837CATHR10223.87051.30322.2481.0032.856
ATOM838CBTHR10224.50852.16123.3411.0035.756
ATOM839OG1THR10225.54651.43824.0211.0036.798
ATOM840CG2THR10223.53252.57724.4411.0035.826
ATOM841CTHR10222.58251.94421.7211.0032.546
ATOM842OTHR10222.65052.93220.9911.0030.038
ATOM843NILE10321.43151.32922.0141.0028.537
ATOM844CAILE10320.16251.93921.5901.0025.406
ATOM845CBILE10319.13150.87321.1631.0026.586
ATOM846CG2ILE10317.77651.49620.8281.0025.476
ATOM847CG1ILE10319.66950.08019.9711.0021.796
ATOM848CD1ILE10318.73949.00319.4381.0019.736
ATOM849CILE10319.62452.75322.7671.0025.276
ATOM850OILE10319.43952.18123.8531.0023.068
ATOM851NMET10419.44354.05922.5911.0024.907
ATOM852CAMET10418.89354.91323.6391.0021.556
ATOM853CBMET10419.79756.09723.9631.0033.486
ATOM854CGMET10420.81055.82625.1011.0029.686
ATOM855SDMET10421.94057.25625.2421.0046.0216
ATOM856CEMET10422.66757.21623.5891.0031.106
ATOM857CMET10417.52855.45623.2151.0021.276
ATOM858OMET10417.37455.99122.1061.0022.968
ATOM859NLEU10516.50355.24224.0271.0020.557
ATOM860CALEU10515.13455.66823.7281.0022.336
ATOM861CBLEU10514.19254.45023.5501.0014.666
ATOM862CGLEU10514.71353.38922.5611.0018.896
ATOM863CD1LEU10513.79652.17822.4891.0019.446
ATOM864CD2LEU10514.88254.05621.1861.0018.706
ATOM865CLEU10514.56756.55924.8171.0020.156
ATOM866OLEU10515.05056.50625.9501.0018.398
ATOM867NARG10613.52357.32424.4831.0018.257
ATOM868CAARG10612.91258.17425.5161.0017.876
ATOM869CBARG10613.60759.55325.5081.0014.966
ATOM870CGARG10612.83460.59726.2901.0016.796
ATOM871CDARG10613.69961.78826.7571.0019.516
ATOM872NEARG10613.33462.92726.0251.0023.467
ATOM873CZARG10612.99064.17426.0651.0024.436
ATOM874NH1ARG10612.92364.89227.1761.0025.937
ATOM875NH2ARG10612.69764.79524.9361.0018.727
ATOM876CARG10611.42258.32125.3041.0018.566
ATOM877OARG10610.99858.47924.1421.0020.438
ATOM878NCYS10710.64258.24626.3781.0015.237
ATOM879CACYS1079.18958.41926.2921.0014.896
ATOM880CCYS1078.93459.89126.5831.0015.286
ATOM881OCYS1079.29660.29427.6901.0015.968
ATOM882CBCYS1078.43857.56527.3221.0014.556
ATOM883SGCYS1076.69157.36827.0131.0013.9116
ATOM884NHIS1088.44660.65325.6041.0015.077
ATOM885CAHIS1088.33462.10325.8111.0011.916
ATOM886CBHIS1089.19062.75724.7081.0016.036
ATOM887CGHIS1089.11964.24024.5721.0016.946
ATOM888CD2HIS1089.06865.02323.4621.0017.646
ATOM889ND1HIS1089.10365.10825.6571.0017.417
ATOM890CE1HIS1089.03466.35025.2151.0017.376
ATOM891NE2HIS1089.02166.33323.8951.0020.007
ATOM892CHIS1086.92562.64725.7331.0011.836
ATOM893OHIS1086.22462.36124.7621.0012.548
ATOM894NSER1096.51563.50226.6541.0013.707
ATOM895CASER1095.16064.09126.6051.0011.706
ATOM896CBSER1094.58364.13428.0411.0013.476
ATOM897OGSER1095.60964.84528.8001.0016.168
ATOM898CSER1095.19065.45925.9701.0014.216
ATOM899OSER1096.18066.23225.9031.0014.638
ATOM900NTRP1104.04765.80425.3811.0016.587
ATOM901CATRP1103.86067.10224.7081.0016.046
ATOM902CBTRP1102.48067.15824.0721.0018.736
ATOM903CGTRP1102.18768.42523.3061.0021.246
ATOM904CD2TRP1101.13569.33923.5891.0020.706
ATOM905CE2TRP1101.19370.36122.6161.0025.926
ATOM906CE3TRP1100.11269.37224.5491.0024.166
ATOM907CD1TRP1102.82768.90822.2141.0022.226
ATOM908NE1TRP1102.23370.06921.7651.0022.817
ATOM909CZ2TRP1100.27671.40422.5681.0024.186
ATOM910CZ3TRP110−0.78170.43424.5091.0030.156
ATOM911CH2TRP110−0.69871.43323.5261.0031.046
ATOM912CTRP1104.08268.24525.6811.0014.446
ATOM913OTRP1103.66568.21926.8521.0017.088
ATOM914NLYS1114.92869.19925.2941.0019.427
ATOM915CALYS1115.34770.32526.1151.0019.406
ATOM916CBLYS1114.13171.24126.4181.0021.006
ATOM917CGLYS1113.58371.90425.1551.0024.946
ATOM918CDLYS1112.12472.28725.3371.0034.176
ATOM919CELYS1111.95273.71925.7811.0037.496
ATOM920NZLYS1112.78374.66824.9871.0052.667
ATOM921CLYS1115.94069.92127.4501.0020.336
ATOM922OLYS1115.90570.69428.4191.0016.808
ATOM923NASP1126.44468.69527.6021.0018.287
ATOM924CAASP1126.98968.23328.8611.0020.316
ATOM925CBASP1128.24269.08829.1911.0024.526
ATOM926CGASP1129.30668.73728.1551.0031.396
ATOM927OD1ASP1129.70067.54528.1191.0039.688
ATOM928OD2ASP1129.71969.58827.3601.0035.008
ATOM929CASP1126.01568.20330.0181.0023.406
ATOM930OASP1126.42668.47531.1481.0023.428
ATOM931NLYS1134.73167.88929.7851.0023.107
ATOM932CALYS1133.79267.72130.8911.0022.356
ATOM933CBLYS1132.35267.43230.4371.0021.686
ATOM934CGLYS1131.75868.61129.6591.0027.096
ATOM935CDLYS1130.23268.57429.6081.0028.346
ATOM936CELYS113−0.26969.78028.8161.0032.926
ATOM937NZLYS113−0.19671.07529.5541.0033.557
ATOM938CLYS1134.35266.59731.7481.0019.866
ATOM939OLYS1134.89065.60331.2641.0021.458
ATOM940NPRO1144.28866.76133.0661.0020.087
ATOM941CDPRO1143.70167.92833.7681.0016.956
ATOM942CAPRO1144.92365.80133.9571.0017.006
ATOM943CBPRO1144.54866.29235.3421.0019.226
ATOM944CGPRO1144.16967.73335.1761.0021.346
ATOM945CPRO1144.45164.40533.6361.0016.836
ATOM946OPRO1143.23764.12533.5121.0016.018
ATOM947NLEU1155.41463.48333.5601.0015.957
ATOM948CALEU1155.08162.10433.2151.0017.106
ATOM949CBLEU1155.76961.87931.8561.0016.836
ATOM950CGLEU1155.79060.49831.2311.0021.646
ATOM951CD1LEU1154.39960.13230.7331.0019.246
ATOM952CD2LEU1156.77760.48630.0431.0019.806
ATOM953CLEU1155.60661.11634.2261.0021.136
ATOM954OLEU1156.78861.20034.5691.0018.848
ATOM955NVAL1164.83960.10534.6301.0020.517
ATOM956CAVAL1165.31459.07335.5451.0020.406
ATOM957CBVAL1164.78759.27736.9711.0018.726
ATOM958CG1VAL1165.31360.54737.6441.0022.676
ATOM959CG2VAL1163.25759.32836.9981.0022.126
ATOM960CVAL1164.80757.70335.0731.0019.736
ATOM961OVAL1163.91057.68234.2231.0020.768
ATOM962NLYS1175.26856.61535.6931.0017.347
ATOM963CALYS1174.76055.29035.3811.0020.336
ATOM964CBLYS1173.27155.18235.8021.0021.746
ATOM965CGLYS1173.11554.92737.3011.0024.436
ATOM966CDLYS1171.79355.44537.8321.0032.696
ATOM967CELYS1170.79854.31438.0561.0040.276
ATOM968NZLYS117−0.56854.86538.2661.0044.067
ATOM969CLYS1174.95654.93633.9141.0018.586
ATOM970OLYS1174.02654.53533.2341.0024.358
ATOM971NVAL1186.18155.06333.4171.0020.457
ATOM972CAVAL1186.54254.79832.0391.0019.156
ATOM973CBVAL1187.75655.64331.6071.0012.176
ATOM974CG1VAL1188.19955.39630.1761.0018.946
ATOM975CG2VAL1187.40857.12931.7941.0016.756
ATOM976CVAL1186.86853.33031.7971.0018.586
ATOM977OVAL1187.60652.71732.5641.0017.168
ATOM978NTHR1196.30752.80330.7111.0015.947
ATOM979CATHR1196.52751.42530.3351.0016.506
ATOM980CBTHR1195.29150.52330.3671.0019.596
ATOM981OG1THR1194.77050.41031.6931.0023.118
ATOM982CG2THR1195.69549.12329.8721.0024.836
ATOM983CTHR1197.05351.42428.8811.0017.816
ATOM984OTHR1196.43652.13028.0951.0014.368
ATOM985NPHE1208.12150.67928.6431.0014.867
ATOM986CAPHE1208.61650.60827.2591.0013.856
ATOM987CBPHE12010.12250.79727.2401.0015.516
ATOM988CGPHE12010.55352.23027.4631.0013.386
ATOM989CD1PHE12010.74852.70128.7501.0020.156
ATOM990CD2PHE12010.79253.05126.3811.0020.086
ATOM991CE1PHE12011.18654.00228.9531.0017.146
ATOM992CE2PHE12011.23054.36726.5781.0022.126
ATOM993CZPHE12011.42354.81827.8671.0017.106
ATOM994CPHE1208.27949.21626.7211.0017.136
ATOM995OPHE1208.64048.22127.4071.0014.788
ATOM996NPHE1217.62649.16625.5751.0016.207
ATOM997CAPHE1217.27747.86825.0111.0018.836
ATOM998CBPHE1215.79947.82124.6161.0013.506
ATOM999CGPHE1214.76848.05225.6561.0018.606
ATOM1000CD1PHE1214.36849.33926.0171.0017.376
ATOM1001CD2PHE1214.20846.96126.3341.0018.446
ATOM1002CE1PHE1213.40949.52427.0061.0019.786
ATOM1003CE2PHE1213.26047.17327.3131.0022.696
ATOM1004CZPHE1212.84348.44527.6601.0015.746
ATOM1005CPHE1218.07447.53923.7491.0018.446
ATOM1006OPHE1218.35148.45422.9871.0015.638
ATOM1007NGLN1228.33346.25323.4801.0019.357
ATOM1008CAGLN1228.95945.88022.2031.0019.906
ATOM1009CBGLN12210.39645.37922.3171.0016.326
ATOM1010CGGLN12210.78444.58321.0651.0018.396
ATOM1011CDGLN12212.05043.76421.2471.0021.986
ATOM1012OE1GLN12212.42343.46122.3741.0019.188
ATOM1013NE2GLN12212.70043.39620.1531.0024.517
ATOM1014CGLN1228.06744.77421.6091.0015.346
ATOM1015OGLN1227.78943.83222.3211.0017.308
ATOM1016NASN1237.47444.93120.4391.0018.987
ATOM1017CAASN1236.54243.97519.8591.0022.956
ATOM1018CBASN1237.24142.70819.3321.0019.576
ATOM1019CGASN1238.22843.13018.2441.0026.316
ATOM1020OD1ASN1238.01344.05317.4411.0019.768
ATOM1021ND2ASN1239.37542.46318.2131.0028.577
ATOM1022CASN1235.39743.64320.8031.0021.026
ATOM1023OASN1234.91142.52520.9181.0019.198
ATOM1024NGLY1244.95144.63221.5791.0019.777
ATOM1025CAGLY1243.85244.51622.4951.0016.416
ATOM1026CGLY1244.15943.88523.8441.0014.856
ATOM1027OGLY1243.21043.65824.6111.0015.058
ATOM1028NLYS1255.40543.61024.1331.0013.817
ATOM1029CALYS1255.83042.99725.3791.0021.186
ATOM1030CBLYS1256.70041.73825.2471.0014.856
ATOM1031CGLYS1256.93441.03226.5591.0016.286
ATOM1032CDLYS1257.40639.58726.2811.0022.516
ATOM1033CELYS1257.92538.98927.5871.0030.626
ATOM1034NZLYS1258.82237.81827.3301.0036.727
ATOM1035CLYS1256.72544.01426.1211.0018.206
ATOM1036OLYS1257.64844.52525.5091.0019.988
ATOM1037NSER1266.38544.21627.3931.0017.627
ATOM1038CASER1267.10745.24128.1551.0020.036
ATOM1039CBSER1266.35545.45929.4851.0023.226
ATOM1040OGSER1267.31745.77330.4661.0038.128
ATOM1041CSER1268.54144.82328.3891.0017.856
ATOM1042OSER1268.84243.65728.6471.0021.318
ATOM1043NGLN1279.49045.71828.2541.0017.167
ATOM1044CAGLN12710.89845.51528.4081.0017.456
ATOM1045CBGLN12711.72346.07327.2251.0020.826
ATOM1046CGGLN12711.35245.41925.8971.0018.566
ATOM1047CDGLN12711.49743.91225.9271.0024.446
ATOM1048OE1GLN12712.60643.41626.1161.0031.628
ATOM1049NE2GLN12710.43643.13025.7731.0019.157
ATOM1050CGLN12711.38646.25129.6611.0020.946
ATOM1051OGLN12712.43945.92930.1791.0018.258
ATOM1052NLYS12810.64347.28530.0321.0021.187
ATOM1053CALYS12811.07048.04831.2161.0023.106
ATOM1054CBLYS12812.17749.03430.8421.0021.836
ATOM1055CGLYS12812.68349.88232.0131.0024.676
ATOM1056CDLYS12813.73950.90531.5891.0018.236
ATOM1057CELYS12814.04851.74632.8701.0027.026
ATOM1058NZLYS12815.08152.79432.5741.0024.247
ATOM1059CLYS1289.88448.84431.7541.0024.936
ATOM1060OLYS1289.19349.48130.9601.0020.798
ATOM1061NPHE1299.67848.82233.0621.0021.397
ATOM1062CAPHE1298.70849.69533.6951.0024.456
ATOM1063CBPHE1297.61048.92634.4581.0025.506
ATOM1064CGPHE1296.77249.83735.3271.0025.516
ATOM1065CD1PHE1295.79950.63034.7621.0019.406
ATOM1066CD2PHE1297.00249.92836.7001.0029.986
ATOM1067CE1PHE1295.02651.49135.5351.0025.006
ATOM1068CE2PHE1296.24950.78837.4911.0028.846
ATOM1069CZPHE1295.26251.57436.9021.0032.296
ATOM1070CPHE1299.48050.57734.6871.0027.886
ATOM1071OPHE12910.38850.04935.3591.0030.998
ATOM1072NSER1309.13451.84634.8531.0026.677
ATOM1073CASER1309.77952.64135.9171.0024.986
ATOM1074CBSER13011.02553.34435.4221.0021.296
ATOM1075OGSER13011.27154.46536.2501.0025.728
ATOM1076CSER1308.77753.66736.4341.0024.396
ATOM1077OSER1308.12354.28535.5761.0024.918
ATOM1078NHIS1318.66853.88937.7301.0022.127
ATOM1079CAHIS1317.71054.90138.2041.0023.656
ATOM1080CBHIS1317.60454.91839.7371.0028.356
ATOM1081CGHIS1316.85953.70640.1971.0023.576
ATOM1082CD2HIS1317.30752.50940.6421.0018.556
ATOM1083ND1HIS1315.47853.66640.1701.0026.697
ATOM1084CE1HIS1315.09552.47840.6171.0016.656
ATOM1085NE2HIS1316.17351.76440.8901.0023.947
ATOM1086CHIS1318.10856.31437.8141.0023.896
ATOM1087OHIS1317.26157.20537.7121.0026.218
ATOM1088NLEU1329.42656.54837.6891.0021.777
ATOM1089CALEU1329.88657.90037.4801.0020.706
ATOM1090CBLEU13210.63058.36138.7601.0030.286
ATOM1091CGLEU13210.02258.08440.1481.0026.566
ATOM1092CD1LEU13211.07358.31641.2291.0029.076
ATOM1093CD2LEU1328.81458.98040.4351.0024.996
ATOM1094CLEU13210.76258.14436.2791.0022.946
ATOM1095OLEU13210.79459.32635.9001.0022.018
ATOM1096NASP13311.54157.18135.7781.0021.757
ATOM1097CAASP13312.46957.40134.6791.0024.626
ATOM1098CBASP13313.56056.32734.8541.0029.716
ATOM1099CGASP13314.73456.32133.9151.0032.906
ATOM1100OD1ASP13314.83757.25433.0831.0032.918
ATOM1101OD2ASP13315.59755.39434.0001.0036.018
ATOM1102CASP13311.84357.23033.2961.0025.886
ATOM1103OASP13311.41956.13632.9401.0024.368
ATOM1104NPRO13411.85758.26132.4601.0024.657
ATOM1105CDPRO13412.34759.62032.7781.0022.976
ATOM1106CAPRO13411.29358.18531.1121.0024.006
ATOM1107CBPRO13410.88959.66230.8701.0024.026
ATOM1108CGPRO13411.98760.43331.5441.0023.046
ATOM1109CPRO13412.25657.76430.0171.0022.116
ATOM1110OPRO13411.97057.93028.8241.0019.008
ATOM1111NTHR13513.42057.21230.3501.0021.437
ATOM1112CATHR13514.42456.80529.4011.0024.986
ATOM1113CBTHR13515.74857.58429.5931.0027.246
ATOM1114OG1THR13516.33157.06530.7961.0024.998
ATOM1115CG2THR13515.46159.06929.7061.0026.076
ATOM1116CTHR13514.74755.31229.4511.0023.586
ATOM1117OTHR13514.44554.62930.4231.0026.148
ATOM1118NPHE13615.26754.79028.3471.0020.637
ATOM1119CAPHE13615.54953.39128.1501.0020.106
ATOM1120CBPHE13614.34352.70627.5231.0025.476
ATOM1121CGPHE13614.40851.25027.1701.0025.616
ATOM1122CD1PHE13614.52850.27028.1211.0027.006
ATOM1123CD2PHE13614.33250.84725.8411.0027.456
ATOM1124CE1PHE13614.57148.92927.7871.0032.626
ATOM1125CE2PHE13614.38549.51625.4901.0028.466
ATOM1126CZPHE13614.49348.54926.4631.0030.416
ATOM1127CPHE13616.79653.19727.2971.0024.006
ATOM1128OPHE13616.95253.80126.2301.0024.508
ATOM1129NSER13717.66552.29427.7301.0021.977
ATOM1130CASER13718.91452.01027.0501.0026.526
ATOM1131CBSER13720.12052.41827.9081.0030.036
ATOM1132OGSER13720.76953.55927.4121.0044.198
ATOM1133CSER13719.12850.50726.8401.0027.386
ATOM1134OSER13718.91149.69427.7211.0027.338
ATOM1135NILE13819.65450.16425.6861.0025.867
ATOM1136CAILE13820.00448.80625.3431.0029.466
ATOM1137CBILE13819.18948.17624.1931.0033.386
ATOM1138CG2ILE13819.66946.74823.9411.0027.236
ATOM1139CG1ILE13817.67948.19724.4721.0030.556
ATOM1140CD1ILE13816.81748.15523.2231.0029.536
ATOM1141CILE13821.47748.87524.9261.0029.886
ATOM1142OILE13821.76849.37723.8491.0027.998
ATOM1143NPRO13922.34548.47625.8371.0031.717
ATOM1144CDPRO13922.01847.93827.1841.0032.736
ATOM1145CAPRO13923.77648.39825.5981.0033.856
ATOM1146CBPRO13924.38048.21326.9831.0036.136
ATOM1147CGPRO13923.24848.38427.9501.0034.996
ATOM1148CPRO13924.03047.16024.7411.0035.636
ATOM1149OPRO13923.32446.16024.8881.0038.228
ATOM1150NGLN14024.97447.20823.8271.0036.977
ATOM1151CAGLN14025.28846.11022.9351.0035.176
ATOM1152CBGLN14026.22345.12423.6311.0043.876
ATOM1153CGGLN14027.51845.80224.0881.0049.776
ATOM1154CDGLN14027.88345.28225.4681.0056.216
ATOM1155OE1GLN14028.14544.08425.5931.0057.448
ATOM1156NE2GLN14027.88346.16126.4681.0057.257
ATOM1157CGLN14024.06045.41822.3621.0034.616
ATOM1158OGLN14023.67744.28422.6931.0033.348
ATOM1159NALA14123.47346.11121.3911.0029.807
ATOM1160CAALA14122.28745.63420.6941.0030.026
ATOM1161CBALA14121.77846.74519.7741.0027.896
ATOM1162CALA14122.56144.40019.8321.0029.526
ATOM1163OALA14123.65044.27019.2631.0029.608
ATOM1164NASN14221.52843.58219.6651.0030.607
ATOM1165CAASN14221.64242.43518.7381.0031.556
ATOM1166CBASN14221.98541.13919.4531.0030.396
ATOM1167CGASN14221.01240.74920.5341.0031.636
ATOM1168OD1ASN14219.83840.42320.2681.0027.578
ATOM1169ND2ASN14221.47940.73921.7811.0033.237
ATOM1170CASN14220.35742.32117.9361.0032.336
ATOM1171OASN14219.45343.16818.1221.0029.098
ATOM1172NHIS14320.22341.25717.1341.0029.407
ATOM1173CAHIS14319.07541.08616.2661.0028.826
ATOM1174CBHIS14319.26239.89515.2721.0024.516
ATOM1175CGHIS14320.36040.23414.2951.0031.726
ATOM1176CD2HIS14320.70441.42013.7401.0033.886
ATOM1177ND1HIS14321.27839.32813.8221.0032.867
ATOM1178CE1HIS14322.11739.92713.0081.0031.846
ATOM1179NE2HIS14321.79441.20212.9411.0031.487
ATOM1180CHIS14317.74740.85716.9761.0026.626
ATOM1181OHIS14316.69641.09816.3661.0025.968
ATOM1182NSER14417.81240.41218.2211.0020.857
ATOM1183CASER14416.55740.12818.9411.0024.826
ATOM1184CBSER14416.83938.97919.9151.0030.286
ATOM1185OGSER14417.73939.38920.9301.0039.118
ATOM1186CSER14415.97641.42319.4741.0024.896
ATOM1187OSER14414.77541.51819.7551.0025.228
ATOM1188NHIS14516.74642.52219.4631.0020.337
ATOM1189CAHIS14516.30643.86119.8111.0019.386
ATOM1190CBHIS14517.47444.76220.3021.0019.406
ATOM1191CGHIS14518.14544.21221.5341.0018.376
ATOM1192CD2HIS14517.62043.88622.7441.0018.226
ATOM1193ND1HIS14519.49343.96521.6271.0023.557
ATOM1194CE1HIS14519.76843.49222.8291.0026.336
ATOM1195NE2HIS14518.64343.41223.5251.0021.057
ATOM1196CHIS14515.58944.55318.6571.0022.056
ATOM1197OHIS14515.01345.63618.8481.0021.868
ATOM1198NSER14615.56943.99717.4401.0020.667
ATOM1199CASER14614.83344.64916.3631.0019.966
ATOM1200CBSER14615.07544.00914.9861.0020.486
ATOM1201OGSER14616.44244.15414.6131.0025.618
ATOM1202CSER14613.33944.59616.6561.0020.516
ATOM1203OSER14612.91543.61417.2871.0022.068
ATOM1204NGLY14712.55645.57816.1971.0016.707
ATOM1205CAGLY14711.12345.38316.4111.0020.496
ATOM1206CGLY14710.38546.71416.5551.0022.636
ATOM1207OGLY14710.98247.76216.3321.0016.098
ATOM1208NASP1489.11146.56016.9511.0020.627
ATOM1209CAASP1488.32447.77717.1211.0021.576
ATOM1210CBASP1486.88247.57916.6741.0028.996
ATOM1211CGASP1486.81947.14415.2191.0041.076
ATOM1212OD1ASP1487.84947.33814.5401.0039.218
ATOM1213OD2ASP1485.76346.62014.8081.0039.408
ATOM1214CASP1488.31548.21418.5901.0020.726
ATOM1215OASP1487.81747.46919.4471.0020.278
ATOM1216NTYR1498.82249.44018.7981.0016.977
ATOM1217CATYR1498.81149.96620.1641.0018.606
ATOM1218CBTYR14910.19350.58720.4721.0016.946
ATOM1219CGTYR14911.27249.53420.6061.0018.456
ATOM1220CD1TYR14911.90148.92819.5281.0019.276
ATOM1221CE1TYR14912.87747.94819.7371.0020.186
ATOM1222CD2TYR14911.67249.16221.8791.0018.366
ATOM1223CE2TYR14912.63648.21622.1161.0015.606
ATOM1224CZTYR14913.23847.60621.0271.0018.776
ATOM1225OHTYR14914.21146.66021.2531.0018.418
ATOM1226CTYR1497.76751.06120.3551.0015.786
ATOM1227OTYR1497.53951.85919.4501.0015.868
ATOM1228NHIS1507.19651.12621.5591.0015.017
ATOM1229CAHIS1506.24752.17121.9251.0012.996
ATOM1230CBHIS1504.84951.98021.3721.0011.966
ATOM1231CGHIS1503.94251.03222.1171.0017.716
ATOM1232CD2HIS1502.94451.29523.0041.0016.096
ATOM1233ND1HIS1503.98849.66021.9711.0011.607
ATOM1234CE1HIS1503.05849.10322.7161.0016.956
ATOM1235NE2HIS1502.40750.05723.3701.0019.227
ATOM1236CHIS1506.26352.27023.4621.0013.376
ATOM1237OHIS1506.92251.44824.1291.0012.788
ATOM1238NCYS1515.68053.35523.9571.0014.217
ATOM1239CACYS1515.67053.55925.4141.0015.386
ATOM1240CCYS1514.30153.98225.8801.0016.276
ATOM1241OCYS1513.42254.40425.1321.0015.158
ATOM1242CBCYS1516.74654.56225.8561.0016.856
ATOM1243SGCYS1516.58156.26925.2481.0014.8216
ATOM1244NTHR1524.08053.80527.1861.0017.417
ATOM1245CATHR1522.87554.22327.8621.0017.276
ATOM1246CBTHR1521.89953.13128.3051.0021.806
ATOM1247OG1THR1522.52752.21229.2051.0017.538
ATOM1248CG2THR1521.35652.38827.0751.0017.126
ATOM1249CTHR1523.34654.98929.1271.0019.836
ATOM1250OTHR1524.47154.72429.6001.0016.218
ATOM1251NGLY1532.49655.91329.5341.0017.847
ATOM1252CAGLY1532.81556.70630.7311.0020.336
ATOM1253CGLY1531.64757.60531.1081.0018.606
ATOM1254OGLY1530.77957.91530.2931.0019.878
ATOM1255NASN1541.60358.00032.3731.0020.997
ATOM1256CAASN1540.56058.81532.9591.0020.366
ATOM1257CBASN1540.51258.55634.4781.0026.776
ATOM1258CGASN154−0.80057.92834.8971.0040.916
ATOM1259OD1ASN154−1.70058.58035.4411.0046.678
ATOM1260ND2ASN154−0.92756.63934.6331.0040.247
ATOM1261CASN1540.87960.30032.8171.0022.516
ATOM1262OASN1541.97360.68533.2721.0022.158
ATOM1263NILE155−0.01861.06732.2021.0019.407
ATOM1264CAILE1550.19862.51432.1391.0022.276
ATOM1265CBILE1550.21063.11630.7311.0026.296
ATOM1266CG2ILE1550.32764.64030.8311.0023.316
ATOM1267CG1ILE1551.36762.54429.8991.0028.166
ATOM1268CD1ILE1551.37162.87428.4341.0029.426
ATOM1269CILE155−0.97463.08932.9411.0027.676
ATOM1270OILE155−2.11262.72632.6391.0024.108
ATOM1271NGLY156−0.73263.83834.0201.0033.107
ATOM1272CAGLY156−1.94264.28534.7801.0037.626
ATOM1273CGLY156−2.44763.05335.5271.0038.806
ATOM1274OGLY156−1.65962.51236.2991.0043.918
ATOM1275NTYR157−3.65562.57335.3071.0041.477
ATOM1276CATYR157−4.18261.35735.8941.0043.656
ATOM1277CBTYR157−5.38161.64236.8321.0051.516
ATOM1278CGTYR157−5.02062.59237.9611.0057.426
ATOM1279CD1TYR157−5.52363.88537.9821.0060.456
ATOM1280CE1TYR157−5.17964.76538.9921.0062.576
ATOM1281CD2TYR157−4.14062.20438.9631.0061.006
ATOM1282CE2TYR157−3.78863.07939.9821.0063.036
ATOM1283CZTYR157−4.31364.35339.9861.0063.566
ATOM1284OHTYR157−3.97965.23740.9841.0066.688
ATOM1285CTYR157−4.67660.35134.8491.0041.966
ATOM1286OTYR157−5.44559.42035.1151.0041.338
ATOM1287NTHR158−4.29860.54733.5941.0036.777
ATOM1288CATHR158−4.72259.69332.4961.0030.716
ATOM1289CBTHR158−5.26060.59731.3641.0030.826
ATOM1290OG1THR158−6.23761.47131.9421.0030.478
ATOM1291CG2THR158−5.85159.81930.2071.0029.216
ATOM1292CTHR158−3.53258.94431.9121.0025.666
ATOM1293OTHR158−2.52159.60931.6421.0024.508
ATOM1294NLEU159−3.68957.66431.6091.0021.007
ATOM1295CALEU159−2.61756.92430.9601.0021.016
ATOM1296CBLEU159−2.73755.43531.2841.0026.536
ATOM1297CGLEU159−1.60154.48730.9581.0027.156
ATOM1298CD1LEU159−0.32354.81731.7131.0025.156
ATOM1299CD2LEU159−1.97953.03631.3161.0028.756
ATOM1300CLEU159−2.65457.17929.4611.0022.046
ATOM1301OLEU159−3.71157.24828.8441.0022.647
ATOM1302NPHE160−1.48457.39628.8551.0020.797
ATOM1303CAPHE160−1.43057.57627.4091.0019.106
ATOM1304CBPHE160−0.82158.94627.0601.0020.916
ATOM1305CGPHE160−1.84860.03427.2161.0019.506
ATOM1306CD1PHE160−1.97160.67628.4421.0024.866
ATOM1307CD2PHE160−2.64560.40926.1561.0021.036
ATOM1308CE1PHE160−2.90361.70928.5881.0029.446
ATOM1309CE2PHE160−3.58261.42126.2961.0019.896
ATOM1310CZPHE160−3.70462.07427.5291.0025.346
ATOM1311CPHE160−0.52156.51326.7941.0017.366
ATOM1312OPHE1600.34655.98227.5041.0018.368
ATOM1313NSER161−0.75356.24025.5211.0017.607
ATOM1314CASER1610.08755.30224.7851.0014.636
ATOM1315CBSER161−0.74454.15024.1881.0020.146
ATOM1316OGSER1610.11553.05423.9011.0021.558
ATOM1317CSER1610.66256.03723.5611.0018.966
ATOM1318OSER161−0.10156.75322.8941.0019.798
ATOM1319NSER1621.92155.79623.2321.0016.197
ATOM1320CASER1622.51856.40422.0491.0016.746
ATOM1321CBSER1624.02956.67822.2331.0016.786
ATOM1322OGSER1624.80155.53021.9001.0021.008
ATOM1323CSER1622.32255.48520.8451.0018.246
ATOM1324OSER1621.94954.30520.9871.0016.858
ATOM1325NLYS1632.53556.02719.6521.0017.967
ATOM1326CALYS1632.48455.20318.4451.0017.366
ATOM1327CBLYS1632.36955.95717.1331.0020.946
ATOM1328CGLYS1631.22856.88516.9021.0025.346
ATOM1329CDLYS163−0.12856.27116.6851.0029.026
ATOM1330CELYS163−0.95457.13115.7211.0042.356
ATOM1331NZLYS163−0.49558.55815.6921.0038.147
ATOM1332CLYS1633.82154.46618.3911.0017.276
ATOM1333OLYS1634.81754.90618.9781.0016.548
ATOM1334NPRO1643.84053.34817.6961.0018.397
ATOM1335CDPRO1642.70252.74316.9521.0020.796
ATOM1336CAPRO1645.06052.57217.5461.0019.846
ATOM1337CBPRO1644.54551.17717.1421.0017.336
ATOM1338CGPRO1643.25451.41616.4751.0021.766
ATOM1339CPRO1646.03253.16916.5281.0019.626
ATOM1340OPRO1645.72353.94215.6191.0019.468
ATOM1341NVAL1657.29552.83316.6741.0017.227
ATOM1342CAVAL1658.42753.16215.8411.0020.366
ATOM1343CBVAL1659.40554.19016.4501.0020.846
ATOM1344CG1VAL16510.41854.64315.4041.0020.466
ATOM1345CG2VAL1658.69955.47516.8991.0023.726
ATOM1346CVAL1659.17351.83315.5901.0022.056
ATOM1347OVAL1659.53251.09416.4991.0022.108
ATOM1348NTHR1669.44451.54914.3201.0024.937
ATOM1349CATHR16610.11150.31713.9391.0026.076
ATOM1350CBTHR1669.63149.78412.5791.0031.666
ATOM1351OG1THR1669.73750.81111.5691.0038.398
ATOM1352CG2THR1668.18049.35312.6941.0023.716
ATOM1353CTHR16611.61150.59713.9091.0025.066
ATOM1354OTHR16611.98551.53613.2441.0021.888
ATOM1355NILE16712.36249.87814.7141.0021.407
ATOM1356CAILE16713.78449.90714.9091.0025.066
ATOM1357CBILE16714.08850.16416.4241.0026.216
ATOM1358CG2ILE16715.58850.15916.6731.0026.686
ATOM1359CG1ILE16713.41551.47216.8251.0026.566
ATOM1360CD1ILE16713.94652.31817.9391.0030.836
ATOM1361CILE16714.41648.57214.5011.0024.366
ATOM1362OILE16714.01347.48214.9201.0023.368
ATOM1363NTHR16815.41248.59113.6301.0022.837
ATOM1364CATHR16816.08347.40513.1521.0027.276
ATOM1365CBTHR16815.94547.26611.6221.0031.886
ATOM1366OG1THR16814.56547.37111.2771.0032.118
ATOM1367CG2THR16816.46245.89411.1791.0034.546
ATOM1368CTHR16817.57547.41413.5011.0028.536
ATOM1369OTHR16818.19048.48313.5081.0032.648
ATOM1370NVAL16918.09046.26013.8631.0023.557
ATOM1371CAVAL16919.47246.01114.1631.0027.276
ATOM1372CBVAL16919.72845.35915.5231.0028.516
ATOM1373CG1VAL16921.22745.13315.7571.0026.426
ATOM1374CG2VAL16919.18946.16016.6961.0027.976
ATOM1375CVAL16920.01145.02213.0981.0032.656
ATOM1376OVAL16919.33244.05612.7101.0033.218
ATOM1377NGLN17021.24545.19612.6890.0133.857
ATOM1378CAGLN17021.96644.39011.7370.0135.756
ATOM1379CBGLN17023.33544.02712.3620.0136.486
ATOM1380CGGLN17024.46544.01211.3470.0137.546
ATOM1381CDGLN17025.47845.11011.5990.0137.916
ATOM1382OE1GLN17025.14246.18612.0960.0138.178
ATOM1383NE2GLN17026.73544.84611.2570.0138.217
ATOM1384CGLN17021.35543.08811.2410.0136.706
ATOM1385OGLN17021.04942.16711.9950.0136.818
ATOM1386NVAL17121.27342.9599.9190.0137.517
ATOM1387CAVAL17120.78141.7729.2400.0138.206
ATOM1388CBVAL17119.48341.2089.8420.0138.616
ATOM1389CG1VAL17118.33442.1999.6810.0138.886
ATOM1390CG2VAL17119.11539.8819.1800.0138.836
ATOM1391CVAL17120.58742.0487.7500.0138.426
ATOM1392OVAL17121.42041.5736.9490.0138.538
ATOM1393OW0WAT20113.95868.10619.9301.0018.368
ATOM1394OW0WAT20213.65341.24123.3201.0024.598
ATOM1395OW0WAT2035.89557.41018.9651.0014.148
ATOM1396OW0WAT2049.51972.68830.5141.0042.118
ATOM1397OW0WAT2058.70064.45428.3551.0021.658
ATOM1398OW0WAT20625.54865.6647.8981.0024.888
ATOM1399OW0WAT2072.90252.47131.8971.0019.138
ATOM1400OW0WAT20814.30345.25623.6761.0024.288
ATOM1401OW0WAT20910.37162.55229.0761.0027.738
ATOM1402OW0WAT21012.43366.62921.5051.0014.048
ATOM1403OW0WAT2115.41747.49921.0021.0016.898
ATOM1404OW0WAT21229.59982.79711.5951.0034.628
ATOM1405OW0WAT21317.81370.1872.6481.0016.348
ATOM1406OW0WAT2146.65658.31516.4131.0024.318
ATOM1407OW0WAT21521.19180.1465.3351.0030.058
ATOM1408OW0WAT21615.62166.76618.3191.0018.828
ATOM1409OW0WAT2176.52856.41014.4601.0026.688
ATOM1410OW0WAT2186.21369.72322.7921.0019.898
ATOM1411OW0WAT21912.93567.87424.1091.0029.958
ATOM1412OW0WAT220−2.27762.23620.9531.0028.348
ATOM1413OW0WAT22120.15171.3440.1831.0021.628
ATOM1414OW0WAT22227.77365.2036.2951.0020.748
ATOM1415OW0WAT223−0.48158.86419.8111.0024.678
ATOM1416OW0WAT22417.81567.9141.1201.0026.998
ATOM1417OW0WAT22516.60464.76125.523.1.0018.458
ATOM1418OW0WAT226−0.33059.58022.5161.0029.018
ATOM1419OW0WAT22713.32440.95517.1291.0040.988
ATOM1420OW0WAT2289.21441.38022.4501.0041.918
ATOM1421OW0WAT22920.14682.27013.8501.0050.038
ATOM1422OW0WAT23021.70780.35312.3251.0018.468
ATOM1423OW0WAT23115.40367.16725.5991.0021.448
ATOM1424OW0WAT23212.70363.25830.1741.0037.288
ATOM1425OW0WAT23312.47961.40039.2501.0023.788
ATOM1426OW0WAT23413.92159.4609.1061.0040.498
ATOM1427OW0WAT2357.23072.38124.4321.0041.818
ATOM1428OW0WAT2362.98958.68119.3441.0017.298
ATOM1429OW0WAT23712.86575.03610.1801.0047.198
ATOM1430OW0WAT2382.75467.99113.2591.0035.758
ATOM1431OW0WAT23917.41657.60826.6411.0032.098
ATOM1432OW0WAT24031.06875.57910.8881.0020.858
ATOM1433OW0WAT24117.72571.98521.2611.0025.438
ATOM1434OW0WAT24232.76065.2516.0791.0038.048
ATOM1435OW0WAT24314.07972.37325.2181.0020.238
ATOM1436OW0WAT24416.64477.936−2.3151.0034.008
ATOM1437OW0WAT2451.79062.64335.5181.0030.638
ATOM1438OW0WAT24610.02676.84013.6391.0031.108
ATOM1439OW0WAT24711.09640.53824.5991.0033.258
ATOM1440OW0WAT24819.45773.016−2.9701.0036.888
ATOM1441OW0WAT24918.57860.10826.7561.0030.868
ATOM1442OW0WAT25011.11978.67516.1901.0037.838
ATOM1443OW0WAT2512.58376.68728.0321.0073.188
ATOM1444OW0WAT2520.24375.15322.8031.0034.158
ATOM1445OW0WAT25333.32882.16510.2551.0023.178
ATOM1446OW0WAT25422.21287.0815.0801.0051.418
ATOM1447OW0WAT25521.39383.92111.6801.0031.478
ATOM1448OW0WAT25637.17472.3824.3491.0036.668
ATOM1449OW0WAT25723.29153.95013.9811.0045.028
ATOM1450OW0WAT25831.52180.1345.4041.0028.198
ATOM1451OW0WAT25911.90478.1698.2091.0061.398
ATOM1452OW0WAT2607.39336.16024.6681.0045.968
ATOM1453OW0WAT26112.35670.95423.7271.0023.778
ATOM1454OW0WAT26233.89869.0787.3531.0032.968
ATOM1455OW0WAT26328.50252.76425.4781.0058.408
ATOM1456OW0WAT26423.41437.81018.4271.0035.168
ATOM1457OW0WAT2654.79274.63116.7781.0044.498
ATOM1458OW0WAT26628.50977.721−1.6201.0050.518
ATOM1459OW0WAT26719.68568.488−0.7121.0045.748
ATOM1460OW0WAT26810.89974.48723.6201.0043.618
ATOM1461OW0WAT269−1.03373.72020.1281.0034.528
ATOM1462OW0WAT27015.21567.3970.0771.0027.358
ATOM1463OW0WAT2718.74879.98916.5081.0051.598
ATOM1464OW0WAT27222.33282.3143.7071.0030.258
ATOM1465OW0WAT27323.37370.77117.6101.0022.448
ATOM1466OW0WAT27411.96567.87226.3591.0026.928
ATOM1467OW0WAT27535.79371.1467.1981.0027.198
ATOM1468OW0WAT27610.33372.53025.8671.0046.788
ATOM1469OW0WAT27717.23069.18524.8521.0026.228
ATOM1470OW0WAT27817.59451.43230.8301.0032.588
ATOM1471OW0WAT2798.56167.70332.8841.0037.048
ATOM1472OW0WAT28016.37471.765−4.1951.0031.458
ATOM1473OW0WAT2818.99570.32924.9461.0036.648
ATOM1474OW0WAT28219.01947.05128.6761.0048.068
ATOM1475OW0WAT28320.03961.35015.7421.0023.238
ATOM1476OW0WAT28421.30855.30920.6581.0028.248
ATOM1477OW0WAT2857.40570.0195.2611.0041.478
ATOM1478OW0WAT28623.72966.0660.6321.0030.278
ATOM1479OW0WAT28715.82640.09523.9461.0041.948
ATOM1480OW0WAT288−0.11950.37124.8120.5025.938
ATOM1481OW0WAT2893.39754.87942.2451.0029.878
ATOM1482OW0WAT29010.21553.15132.2701.0043.338
ATOM1483OW0WAT2918.44065.10933.8831.0034.098
END

[0143] 2

TABLE 2
REMARK Written by O version 5.10.1
REMARK Wed May 20 10:23:51 1998
CRYST1 79.221 100.866 28.172 90.00 90.00 90.00
ORIGX11.0000000.0000000.0000000.00000
ORIGX20.0000001.0000000.0000000.00000
ORIGX30.0000000.0000001.0000000.00000
SCALE10.0126230.0000000.0000000.00000
SCALE20.0000000.0099140.0000000.00000
SCALE30.0000000.0000000.0354960.00000
ATOM1CBALA136.64568.826−4.7021.0051.376
ATOM2CALA136.19968.294−2.2851.0042.226
ATOM3OALA136.80167.492−1.5691.0042.708
ATOM4NALA134.36768.121−3.9971.0045.747
ATOM5CAALA135.82967.992−3.7241.0043.686
ATOM6NPRO235.90369.499−1.8171.0040.547
ATOM7CDPRO235.14970.546−2.5331.0038.916
ATOM8CAPRO236.17269.844−0.4251.0038.616
ATOM9CBPRO235.76571.300−0.3221.0039.866
ATOM10CGPRO234.79071.513−1.4261.0041.366
ATOM11CPRO235.29468.9310.4341.0036.706
ATOM12OPRO234.18868.654−0.0421.0032.468
ATOM13NPRO335.78968.4961.5791.0033.827
ATOM14CDPRO337.12068.8572.1101.0035.166
ATOM15CAPRO335.06967.6372.4911.0038.256
ATOM16CBPRO335.87267.6393.7991.0037.396
ATOM17CGPRO337.18068.2673.4861.0037.416
ATOM18CPRO333.65368.1362.7901.0037.486
ATOM19OPRO333.39369.3352.6831.0034.398
ATOM20NLYS432.76367.2123.1731.0037.047
ATOM21CALYS431.39967.6783.4241.0034.976
ATOM22CBLYS430.31866.6643.1221.0043.986
ATOM23CGLYS430.56465.1913.2781.0047.646
ATOM24CDLYS429.77564.3492.2921.0052.036
ATOM25CELYS428.31764.7432.1371.0057.566
ATOM26NZLYS427.72464.2530.8551.0056.407
ATOM27CLYS431.24368.2344.8251.0031.446
ATOM28OLYS431.84667.7695.7841.0029.918
ATOM29NALA530.41669.2804.9081.0028.757
ATOM30CAALA530.03969.8136.2181.0027.216
ATOM31CBALA529.15571.0326.1101.0021.946
ATOM32CALA529.27868.6836.9231.0026.426
ATOM33OALA528.76067.7946.2221.0026.108
ATOM34NVAL629.23168.6748.2411.0024.917
ATOM35CAVAL628.51567.6328.9851.0026.956
ATOM36CBVAL629.49066.7389.7701.0029.366
ATOM37CG1VAL628.77965.72610.6761.0029.866
ATOM38CG2VAL630.43466.0248.8011.0026.746
ATOM39CVAL627.50368.2539.9421.0028.936
ATOM40OVAL627.84668.99410.8661.0031.468
ATOM41NLEU726.23367.9299.7581.0030.087
ATOM42CALEU725.10568.38310.5461.0029.336
ATOM43CBLEU723.83968.3469.6571.0033.186
ATOM44CGLEU722.82869.4589.9601.0034.946
ATOM45CD1LEU722.08269.8768.7211.0027.556
ATOM46CD2LEU721.88769.00211.0691.0032.306
ATOM47CLEU724.81667.56511.7941.0029.576
ATOM48OLEU724.65366.35111.8001.0030.048
ATOM49NLYS824.76868.24212.9301.0028.047
ATOM50CALYS824.56867.69214.2571.0025.126
ATOM51CBLYS825.73868.17915.1321.0033.326
ATOM52CGLYS825.77767.61116.5321.0039.376
ATOM53CDLYS825.96768.59817.6521.0043.846
ATOM54CELYS827.12969.56117.4871.0047.786
ATOM55NZLYS827.52570.17518.7931.0048.987
ATOM56CLYS823.23368.19214.7971.0024.536
ATOM57OLYS822.93469.38414.7391.0025.358
ATOM58NLEU922.42367.31015.3331.0024.787
ATOM59CALEU921.08067.55315.8431.0022.076
ATOM60CBLEU920.18966.48315.1901.0020.046
ATOM61CGLEU918.72566.36315.5961.0020.576
ATOM62CD1LEU917.98067.62415.2141.0019.576
ATOM63CD2LEU918.08465.13714.9031.0023.446
ATOM64CLEU921.01967.41517.3461.0021.016
ATOM65OLEU921.42466.39317.8691.0022.388
ATOM66NGLU1020.58368.41018.1181.0022.537
ATOM67CAGLU1020.48068.28519.5671.0021.026
ATOM68CBGLU1021.52369.18220.2701.0027.366
ATOM69CGAGLU1022.97168.77820.0900.5028.216
ATOM70CGBGLU1022.94668.65720.1950.5038.296
ATOM71CDAGLU1024.04769.78920.4220.5028.556
ATOM72CDBGLU1023.10067.20220.5870.5043.486
ATOM73OE1GLU1025.13169.36520.9070.5026.568
ATOM74OE1GLU1022.44366.77121.5650.5047.248
ATOM75OE2GLU1023.88871.00820.1860.5022.108
ATOM76OE2GLU1023.87166.48619.9080.5046.428
ATOM77CGLU1019.09668.72820.0081.0019.766
ATOM78OGLU1018.70169.84219.6131.0018.008
ATOM79NPRO1118.42367.99520.8881.0019.077
ATOM80CDPRO1117.05868.34021.3901.0018.716
ATOM81CAPRO1118.83466.66221.3191.0018.846
ATOM82CBPRO1117.80766.27222.3651.0017.386
ATOM83CGPRO1116.56067.00021.9441.0018.866
ATOM84CPRO1118.78765.75820.0901.0020.016
ATOM85OPRO1118.31066.21219.0511.0016.228
ATOM86NPRO1219.23264.51720.1551.0019.947
ATOM87CDPRO1219.91563.94821.3611.0021.086
ATOM88CAPRO1219.40963.70018.9761.0020.686
ATOM89CBPRO1220.45562.65619.3971.0019.826
ATOM90CGPRO1220.29262.56720.8721.0023.596
ATOM91CPRO1218.17963.06118.3951.0018.706
ATOM92OPRO1218.26862.47517.3181.0019.858
ATOM93NTRP1317.03963.16919.0591.0015.647
ATOM94CATRP1315.81562.56818.5611.0017.916
ATOM95CBTRP1314.68862.84019.5621.0014.326
ATOM96CGTRP1315.12462.74921.0061.0016.776
ATOM97CD2TRP1315.63361.61221.7031.0016.906
ATOM98CE2TRP1315.89962.00523.0321.0016.876
ATOM99CE3TRP1315.86760.27921.3501.0018.036
ATOM100CD1TRP1315.10663.76921.9161.0018.976
ATOM101NE1TRP1315.58963.34323.1371.0011.167
ATOM102CZ2TRP1316.40561.12423.9731.0015.926
ATOM103CZ3TRP1316.35859.40922.3011.0010.596
ATOM104CH2TRP1316.64559.82523.6111.0017.876
ATOM105CTRP1315.42163.03317.1631.0019.476
ATOM106OTRP1315.28364.23816.9081.0017.228
ATOM107NILE1415.10162.07816.2751.0016.577
ATOM108CAILE1414.66662.44114.9361.0018.936
ATOM109CBILE1415.18561.52313.8161.0016.076
ATOM110CG2ILE1416.72061.52113.8401.0016.616
ATOM111CG1ILE1414.58260.11913.9721.0021.356
ATOM112CD1ILE1415.04559.15012.8961.0026.286
ATOM113CILE1413.14462.54914.8251.0020.486
ATOM114OILE1412.65263.04813.8171.0019.418
ATOM115NASN1512.40362.08715.8361.0019.467
ATOM116CAASN1510.93562.27015.7781.0018.116
ATOM117CBASN1510.16160.96215.7311.0013.536
ATOM118CGASN1510.59159.94616.7621.0019.116
ATOM119OD1ASN1511.72859.95917.2271.0013.358
ATOM120ND2ASN159.68859.03317.1421.0010.117
ATOM121CASN1510.63263.12417.0051.0017.546
ATOM122OASN1511.01662.73518.1111.0015.328
ATOM123NVAL1610.12264.33116.8051.0016.867
ATOM124CAVAL169.87165.27317.8931.0015.776
ATOM125CBVAL1610.76166.53417.7481.0016.546
ATOM126CG1VAL1612.25166.14117.7331.0013.426
ATOM127CG2VAL1610.49067.34516.4911.0018.046
ATOM128CVAL168.42065.70817.9211.0019.016
ATOM129OVAL167.61865.38117.0101.0017.128
ATOM130NLEU178.02266.42218.9641.0017.687
ATOM131CALEU176.66466.96219.0681.0015.116
ATOM132CBLEU176.16266.72620.5221.0020.266
ATOM133CGLEU175.87365.25120.8231.0023.076
ATOM134CD1LEU175.44765.01322.2531.0017.706
ATOM135CD2LEU174.83264.71419.8551.0026.746
ATOM136CLEU176.56368.43918.7321.0016.376
ATOM137OLEU177.51869.18718.9611.0018.248
ATOM138NGLN185.42468.93118.2271.0018.557
ATOM139CAGLN185.23770.37018.0321.0019.136
ATOM140CBGLN183.79070.72117.6961.0031.656
ATOM141CGGLN183.51071.24916.3141.0037.326
ATOM142CDGLN182.12070.90215.8001.0036.926
ATOM143OE1GLN181.95370.03214.9431.0030.978
ATOM144NE2GLN181.13571.61816.3331.0031.737
ATOM145CGLN185.56171.07719.3481.0019.436
ATOM146OGLN185.19470.56820.4131.0018.108
ATOM147NGLU196.31772.16419.2321.0019.687
ATOM148CAGLU196.72773.04520.2931.0018.886
ATOM149CBGLU195.59773.34121.2931.0027.396
ATOM150CGGLU194.64974.41820.7141.0030.126
ATOM151CDGLU193.55874.69921.7201.0041.876
ATOM152OE1GLU193.85775.33022.7581.0048.838
ATOM153OE2GLU192.42174.27221.4641.0046.618
ATOM154CGLU198.00472.62220.9981.0021.466
ATOM155OGLU198.49673.40521.8151.0026.398
ATOM156NASP208.60671.50620.6191.0019.917
ATOM157CAASP209.89871.09421.1141.0020.766
ATOM158CBASP2010.28569.64920.7261.0013.476
ATOM159CGASP209.58768.57821.5261.0013.936
ATOM160OD1ASP208.87368.80522.5341.0017.578
ATOM161OD2ASP209.72367.40521.1041.0013.798
ATOM162CASP2011.00271.95020.4511.0019.586
ATOM163OASP2010.91372.21919.2621.0017.498
ATOM164NSER2112.07172.19821.1741.0017.227
ATOM165CASER2113.23372.92920.6591.0017.626
ATOM166CBASER2114.01173.52521.8440.5017.496
ATOM167CBBSER2113.98173.55621.8460.5013.146
ATOM168OGASER2114.90074.51621.3550.5022.958
ATOM169OGBSER2113.17574.57922.4160.506.858
ATOM170CSER2114.18172.03819.8731.0018.616
ATOM171OSER2114.42470.88420.2651.0021.418
ATOM172NVAL2214.63872.51218.7211.0015.807
ATOM173CAVAL2215.58571.73317.9101.0017.936
ATOM174CBVAL2215.05271.23416.5601.0020.376
ATOM175CG1VAL2216.09370.40115.8041.0017.776
ATOM176CG2VAL2213.85870.30016.6791.0017.266
ATOM177CVAL2216.82272.60917.6651.0019.206
ATOM178OVAL2216.63373.76917.2911.0018.528
ATOM179NTHR2318.02172.10717.9171.0016.327
ATOM180CATHR2319.24972.82317.6481.0019.996
ATOM181CBTHR2320.08073.12818.9111.0022.976
ATOM182OG1THR2319.19273.74919.8501.0018.428
ATOM183CG2THR2321.24174.05718.6141.0016.786
ATOM184CTHR2320.09872.01616.6581.0024.686
ATOM185OTHR2320.50970.88016.8971.0022.598
ATOM186NLEU2420.25772.61815.4671.0023.737
ATOM187CALEU2421.08172.05114.4231.0023.116
ATOM188CBLEU2420.42772.20613.0461.0020.256
ATOM189CGLEU2419.05371.48012.9591.0023.956
ATOM190CD1LEU2418.32471.85611.6811.0020.786
ATOM191CD2LEU2419.25169.98513.0491.0022.746
ATOM192CLEU2422.44472.76314.4501.0025.876
ATOM193OLEU2422.47074.00814.5371.0024.578
ATOM194NTHR2523.52071.98014.3671.0020.227
ATOM195CATHR2524.84772.60014.3361.0023.216
ATOM196CBTHR2525.65672.26515.5971.0027.696
ATOM197OG1THR2524.94572.73016.7551.0026.308
ATOM198CG2THR2527.04172.92515.5901.0028.496
ATOM199CTHR2525.60472.16613.0751.0022.316
ATOM200OTHR2525.70670.95112.8191.0023.868
ATOM201NCYS2626.09273.13412.3071.0018.687
ATOM202CACYS2626.83272.88811.0751.0023.206
ATOM203CCYS2628.34572.91011.3461.0023.066
ATOM204OCYS2628.95773.98011.5561.0023.768
ATOM205CBCYS2626.50973.8819.9581.0017.926
ATOM206SGCYS2627.13873.3588.3111.0022.2516
ATOM207NGLN2728.92971.72911.3551.0019.357
ATOM208CAGLN2730.33271.52111.6581.0023.306
ATOM209CBGLN2730.54370.20912.4641.0029.786
ATOM210CGGLN2729.62370.04413.6721.0031.506
ATOM211CDGLN2729.92768.82814.5181.0033.016
ATOM212OE1GLN2730.32267.77414.0321.0038.678
ATOM213NE2GLN2729.79268.89515.8341.0036.367
ATOM214CGLN2731.16971.41710.3771.0026.336
ATOM215OGLN2730.76470.8569.3471.0023.158
ATOM216NGLY2832.36372.01910.4381.0027.697
ATOM217CAGLY2833.28972.0199.3131.0028.026
ATOM218CGLY2834.02273.3609.2151.0029.416
ATOM219OGLY2833.63974.3359.8621.0028.468
ATOM220NALA2935.06273.4218.3891.0027.487
ATOM221CAALA2935.82474.6408.2101.0027.396
ATOM222CBALA2936.97974.3537.2391.0025.916
ATOM223CALA2934.95975.7307.5741.0028.276
ATOM224OALA2934.31575.4156.5611.0026.078
ATOM225NARG3035.06076.9518.0641.0023.977
ATOM226CAARG3034.30378.0557.4901.0027.176
ATOM227CBARG3033.57178.8238.6011.0030.346
ATOM228CGARG3032.57478.0909.4601.0034.056
ATOM229CDARG3032.36578.88010.7611.0033.866
ATOM230NEARG3032.40777.90211.8361.0038.607
ATOM231CZARG3032.48778.08213.1261.0038.086
ATOM232NH1ARG3032.56779.29813.6351.0036.517
ATOM233NH2ARG3032.46776.99013.8791.0046.137
ATOM234CARG3035.19479.1486.8801.0026.706
ATOM235OARG3036.39979.1427.0751.0029.228
ATOM236NSER3134.57380.1296.2461.0026.857
ATOM237CASER3135.31581.2845.7381.0026.566
ATOM238CBSER3134.68281.8464.4761.0025.036
ATOM239OGSER3134.56280.8753.4771.0027.598
ATOM240CSER3135.27382.3216.8611.0026.586
ATOM241OSER3134.39682.2467.7391.0023.918
ATOM242NPRO3236.16383.3086.8391.0023.487
ATOM243CDPRO3237.22483.4835.8421.0022.706
ATOM244CAPRO3236.17684.3507.8611.0024.756
ATOM245CBPRO3237.62184.8307.8051.0024.346
ATOM246CGPRO3238.09584.5716.4141.0023.776
ATOM247CPRO3235.17285.4497.5491.0029.236
ATOM248OPRO3235.47286.6097.2231.0028.288
ATOM249NGLU3333.91385.1217.7091.0029.777
ATOM250CAGLU3332.72585.8967.4171.0033.376
ATOM251CBAGLU3332.17785.4266.0730.5035.186
ATOM252CBBGLU3332.12385.4576.0840.5031.986
ATOM253CGAGLU3330.79584.8295.9520.5039.406
ATOM254CGBGLU3331.77683.9905.9540.5034.056
ATOM255CDAGLU3330.39484.5254.5210.5046.486
ATOM256CDBGLU3331.60183.5334.5170.5034.676
ATOM257OE1GLU3329.26884.8564.0760.5049.238
ATOM258OE1GLU3332.19484.1683.6190.5032.818
ATOM259OE2GLU3331.23283.9523.7880.5047.508
ATOM260OE2GLU3330.87782.5424.2750.5024.648
ATOM261CGLU3331.68385.6898.5191.0032.616
ATOM262OGLU3331.61284.6009.0851.0028.728
ATOM263NSER3430.84486.6828.7431.0032.157
ATOM264CASER3429.80486.5919.7641.0032.726
ATOM265CBSER3429.27788.01310.0371.0034.266
ATOM266OGSER3428.32087.93111.0931.0045.888
ATOM267CSER3428.66885.6749.3321.0030.936
ATOM268OSER3428.15684.88310.1241.0028.878
ATOM269NASP3528.22285.7738.0821.0028.027
ATOM270CAASP3527.16784.8587.5991.0028.626
ATOM271CBASP3526.29285.5386.5851.0029.656
ATOM272CGASP3525.35786.6397.0571.0037.436
ATOM273OD1ASP3525.02786.7698.2581.0033.538
ATOM274OD2ASP3524.90287.3966.1541.0036.018
ATOM275CASP3527.88283.6436.9731.0027.086
ATOM276OASP3527.99783.5665.7561.0028.078
ATOM277NSER3628.46182.7487.7741.0025.557
ATOM278CASER3629.28281.6807.2251.0027.456
ATOM279CBSER3630.44081.4318.2131.0034.876
ATOM280OGSER3629.97380.8029.4051.0039.518
ATOM281CSER3628.55880.3826.8901.0027.146
ATOM282OSER3629.14379.4216.3631.0025.678
ATOM283NILE3727.29380.2237.2311.0024.647
ATOM284CAILE3726.58078.9736.9771.0024.336
ATOM285CBILE3726.16478.3078.3091.0030.716
ATOM286CG2ILE3725.56176.9318.0321.0026.946
ATOM287CG1ILE3727.33378.2219.3081.0021.666
ATOM288CD1ILE3728.44377.2788.8671.0027.666
ATOM289CILE3725.33679.1596.1281.0024.086
ATOM290OILE3724.51580.0336.3901.0023.508
ATOM291NGLN3825.12278.3145.1271.0024.527
ATOM292CAGLN3823.86278.2964.3991.0023.136
ATOM293CBGLN3824.01678.0682.9051.0029.286
ATOM294CGGLN3824.45879.2962.1231.0029.866
ATOM295CDGLN3824.69278.9650.6611.0033.486
ATOM296OE1GLN3825.54078.1220.3231.0028.348
ATOM297NE2GLN3823.92279.668−0.1771.0038.547
ATOM298CGLN3823.04877.1284.9851.0023.816
ATOM299OGLN3823.59876.0225.0871.0022.628
ATOM300NTRP3921.80777.3865.3711.0021.437
ATOM301CATRP3920.98776.3045.9051.0021.736
ATOM302CBTRP3920.34576.6337.2571.0021.016
ATOM303CGTRP3921.26476.6338.4301.0017.586
ATOM304CD2TRP3921.72175.5239.2121.0017.006
ATOM305CE2TRP3922.56976.03310.2201.0016.716
ATOM306CE3TRP3921.49574.1479.1581.0021.476
ATOM307CD1TRP3921.84477.7508.9741.0019.926
ATOM308NE1TRP3922.62677.40010.0611.0022.187
ATOM309CZ2TRP3923.21875.22011.1521.0018.296
ATOM310CZ3TRP3922.10973.32910.0911.0021.626
ATOM311CH2TRP3922.96073.87411.0641.0020.156
ATOM312CTRP3919.89075.9934.8981.0022.766
ATOM313OTRP3919.40776.9254.2381.0023.428
ATOM314NPHE4019.53374.7014.7581.0022.917
ATOM315CAPHE4018.51274.3893.7541.0026.866
ATOM316CBPHE4019.12173.7222.5131.0024.166
ATOM317CGPHE4020.22574.4291.7881.0023.966
ATOM318CD1PHE4021.55174.2802.1891.0023.616
ATOM319CD2PHE4019.94575.2440.6961.0022.476
ATOM320CE1PHE4022.56474.9191.5041.0020.836
ATOM321CE2PHE4020.96775.8800.0201.0021.696
ATOM322CZPHE4022.26775.7400.4321.0021.866
ATOM323CPHE4017.46673.4354.3491.0023.516
ATOM324OPHE4017.83872.5885.1511.0021.948
ATOM325NHIS4116.23273.5753.9051.0021.597
ATOM326CAHIS4115.10772.7714.3661.0024.076
ATOM327CBHIS4114.03273.5725.0991.0018.726
ATOM328CGHIS4112.86472.7275.5481.0023.416
ATOM329CD2HIS4112.79471.4155.8991.0021.856
ATOM330ND1HIS4111.58873.2185.7091.0021.977
ATOM331CE1HIS4110.78972.2596.1351.0022.796
ATOM332NE2HIS4111.50471.1616.2681.0021.877
ATOM333CHIS4114.45572.1633.1151.0021.836
ATOM334OHIS4113.97272.9192.2821.0021.378
ATOM335NASN4214.57670.8472.9591.0022.087
ATOM336CAASN4214.07770.1961.7261.0020.466
ATOM337CBASN4212.56270.3221.7221.0018.216
ATOM338CGASN4211.92569.3972.7611.0022.746
ATOM339OD1ASN4212.47368.3433.0871.0024.408
ATOM340ND2ASN4210.80469.8043.3411.0018.437
ATOM341CASN4214.73370.8110.4881.0021.326
ATOM342OASN4214.08571.047−0.5331.0020.138
ATOM343NGLY4316.00271.2200.5681.0020.537
ATOM344CAGLY4316.76771.861−0.4801.0020.836
ATOM345CGLY4316.58673.360−0.6611.0024.516
ATOM346OGLY4317.20973.987−1.5501.0025.308
ATOM347NASN4415.63373.9700.0511.0021.277
ATOM348CAASN4415.39175.393−0.1121.0020.466
ATOM349CBASN4413.90375.7340.0001.0023.826
ATOM350CGASN4413.04974.834−0.8911.0022.266
ATOM351OD1ASN4412.14874.144−0.4091.0025.478
ATOM352ND2ASN4413.38274.787−2.1711.0021.597
ATOM353CASN4416.20876.1430.9371.0019.786
ATOM354OASN4416.18075.7782.1071.0022.078
ATOM355NLEU4516.90777.1880.5231.0022.227
ATOM356CALEU4517.73077.9621.4591.0021.676
ATOM357CBLEU4518.39179.1410.7151.0028.156
ATOM358CGLEU4519.15980.1711.5381.0029.146
ATOM359CD1LEU4520.47979.5712.0021.0025.076
ATOM360CD2LEU4519.45281.4660.7751.0028.516
ATOM361CLEU4516.82578.5592.5251.0022.276
ATOM362OLEU4515.74878.9972.1181.0020.138
ATOM363NILE4617.26378.6043.7661.0020.117
ATOM364CAILE4616.53979.3224.8351.0024.646
ATOM365CBILE4616.65778.5086.1321.0022.246
ATOM366CG2ILE4616.00779.1347.3581.0021.336
ATOM367CG1ILE4616.11177.0725.9451.0020.746
ATOM368CD1ILE4616.66476.1477.0241.0020.486
ATOM369CILE4617.35180.6255.0061.0025.536
ATOM370OILE4618.41980.6005.6241.0022.918
ATOM371NPRO4716.93781.7474.4441.0030.567
ATOM372CDPRO4715.70481.8843.6201.0032.616
ATOM373CAPRO4717.73182.9684.4341.0030.936
ATOM374CBPRO4717.03083.8363.3631.0031.286
ATOM375CGPRO4715.61083.4003.4411.0032.546
ATOM376CPRO4717.88883.7625.7061.0028.326
ATOM377OPRO4718.73384.6705.7471.0029.248
ATOM378NTHR4817.09283.5136.7301.0026.797
ATOM379CATHR4817.13584.2987.9711.0026.976
ATOM380CBTHR4815.69884.3238.5321.0031.786
ATOM381OG1THR4815.24182.9588.5201.0031.458
ATOM382CG2THR4814.79885.1507.6051.0027.406
ATOM383CTHR4818.07583.7579.0211.0026.316
ATOM384OTHR4818.20684.33410.1131.0028.008
ATOM385NHIS4918.69882.6028.7721.0024.447
ATOM386CAHIS4919.61281.9429.7071.0024.196
ATOM387CBHIS4918.95380.61010.1741.0025.116
ATOM388CGHIS4917.72280.93910.9611.0022.206
ATOM389CD2HIS4916.43081.10910.6241.0027.866
ATOM390ND1HIS4917.80981.22512.3061.0029.807
ATOM391CE1HIS4916.59581.52612.7621.0028.916
ATOM392NE2HIS4915.74881.47411.7611.0025.357
ATOM393CHIS4920.92381.5889.0411.0023.086
ATOM394OHIS4920.94280.8058.0751.0020.578
ATOM395NTHR5022.03882.1629.4971.0025.117
ATOM396CATHR5023.32181.9748.8071.0022.986
ATOM397CBTHR5023.73283.3148.1371.0023.016
ATOM398OG1THR5023.84384.2529.2311.0018.668
ATOM399CG2THR5022.75783.8177.1011.0019.076
ATOM400CTHR5024.46081.6459.7661.0024.616
ATOM401OTHR5025.64081.7729.3931.0026.178
ATOM402NGLN5124.12681.27410.9851.0024.527
ATOM403CAGLN5125.13280.97911.9951.0027.316
ATOM404CBGLN5124.70881.50513.3781.0028.636
ATOM405CGGLN5124.43883.01413.3781.0032.816
ATOM406CDGLN5125.67783.81012.9951.0038.536
ATOM407OE1GLN5126.60683.95213.8021.0037.608
ATOM408NE2GLN5125.72484.33111.7651.0032.797
ATOM409CGLN5125.41179.48712.1011.0026.696
ATOM410OGLN5124.62678.63611.6891.0026.278
ATOM411NPRO5226.51079.13812.7691.0025.167
ATOM412CDPRO5227.55380.09113.2701.0024.546
ATOM413CAPRO5226.91777.76312.9741.0025.246
ATOM414CBPRO5228.26477.88813.7081.0026.096
ATOM415CGPRO5228.80479.21713.2571.0023.356
ATOM416CPRO5225.90076.91513.7221.0025.716
ATOM417OPRO5225.87775.68713.5421.0021.618
ATOM418NSER5325.04477.49714.5561.0024.057
ATOM419CASER5323.99176.77315.2391.0025.636
ATOM420CBSER5324.10576.71116.7581.0031.866
ATOM421OGSER5324.77875.49517.0941.0042.468
ATOM422CSER5322.68177.46014.8541.0024.856
ATOM423OSER5322.68178.67314.6911.0023.688
ATOM424NTYR5421.65876.68914.6141.0024.527
ATOM425CATYR5420.33377.16714.2121.0026.296
ATOM426CBTYR5420.05076.88612.7291.0026.926
ATOM427CGTYR5418.61276.99812.2741.0030.156
ATOM428CD1TYR5417.71977.90512.8251.0029.186
ATOM429CE1TYR5416.40778.00612.4091.0031.266
ATOM430CD2TYR5418.10476.16611.2801.0031.676
ATOM431CE2TYR5416.79676.21710.8551.0031.666
ATOM432CZTYR5415.95077.15111.4291.0033.636
ATOM433OHTYR5414.62477.21911.0381.0034.538
ATOM434CTYR5419.37876.45015.1671.0024.846
ATOM435OTYR5419.30075.21015.1291.0022.538
ATOM436NARG5518.77377.18116.0701.0021.667
ATOM437CAARG5517.86476.65017.0701.0023.606
ATOM438CBARG5518.24277.15718.4801.0025.956
ATOM439CGARG5517.47876.34019.5511.0023.986
ATOM440CDARG5517.65176.98220.9181.0035.386
ATOM441NEARG5516.82176.36521.9561.0027.477
ATOM442CZARG5517.27875.53022.8791.0033.106
ATOM443NH1ARG5518.57075.20922.9041.0030.007
ATOM444NH2ARG5516.41875.04923.7781.0032.667
ATOM445CARG5516.43477.10316.8021.0027.496
ATOM446OARG5516.27578.31216.5691.0022.628
ATOM447NPHE5615.45576.17416.7811.0023.787
ATOM448CAPHE5614.09276.63616.5101.0021.926
ATOM449CBPHE5613.71676.49515.0361.0025.996
ATOM450CGPHE5613.81975.13114.3861.0020.846
ATOM451CD1PHE5615.01974.65313.8971.0021.336
ATOM452CD2PHE5612.70574.31914.2641.0020.316
ATOM453CE1PHE5615.10373.41513.2831.0021.526
ATOM454CE2PHE5612.76873.07713.6801.0018.366
ATOM455CZPHE5613.97372.61613.1591.0018.386
ATOM456CPHE5613.09575.86217.3721.0023.936
ATOM457OPHE5613.45474.83317.9211.0022.428
ATOM458NLYS5711.86576.34017.4231.0022.467
ATOM459CALYS5710.73575.65918.0541.0024.346
ATOM460CBALYS579.89276.62018.8810.5028.516
ATOM461CBBLYS579.82276.72718.6690.5022.876
ATOM462CGALYS5710.65677.29820.0100.5033.646
ATOM463CGBLYS578.76976.20819.6320.5024.296
ATOM464CDALYS5711.43676.34220.8920.5040.756
ATOM465CDBLYS578.63177.18620.7980.5026.906
ATOM466CEALYS5712.61276.99021.6030.5043.076
ATOM467CEBLYS579.13876.60422.0920.5029.796
ATOM468NZALYS5712.70376.63023.0440.5051.717
ATOM469NZBLYS578.05076.26523.0600.5036.227
ATOM470CLYS579.95074.92316.9691.0021.306
ATOM471OLYS579.43675.55116.0521.0019.468
ATOM472NALA589.92873.58816.9451.0018.237
ATOM473CAALA589.34172.86415.8211.0015.746
ATOM474CBALA589.61271.36116.0941.009.096
ATOM475CALA587.84173.03415.6141.0020.266
ATOM476OALA587.06773.06416.5741.0018.048
ATOM477NASN597.39273.12614.3671.0018.317
ATOM478CAASN595.98673.07114.0191.0023.046
ATOM479CBASN595.22274.30113.6121.0032.396
ATOM480CGASN595.88075.64313.6651.0038.266
ATOM481OD1ASN595.85576.27914.7161.0042.508
ATOM482ND2ASN596.42676.06612.5291.0043.397
ATOM483CASN595.82572.05212.8671.0024.076
ATOM484OASN596.79471.47612.3651.0021.258
ATOM485NASN604.58271.83312.4841.0024.407
ATOM486CAASN604.19270.82311.5191.0031.476
ATOM487CBASN602.68070.89311.2341.0031.466
ATOM488CGAASN602.27269.77610.2740.5031.266
ATOM489CGBASN602.22172.27210.8140.5035.726
ATOM490OD1ASN602.33768.58210.5970.5022.528
ATOM491OD1ASN602.98573.24010.7680.5033.048
ATOM492ND2ASN601.86370.1759.0700.5026.047
ATOM493ND2ASN600.93272.39110.4830.5039.477
ATOM494CASN605.00670.94310.2341.0029.056
ATOM495OASN605.64569.9869.7801.0032.278
ATOM496NASN615.09872.1539.7101.0030.207
ATOM497CAAASN615.86372.4878.5290.5028.686
ATOM498CABASN615.85772.3678.4770.5029.136
ATOM499CBAASN615.56473.9558.1500.5026.196
ATOM500CBBASN615.40373.6717.8060.5030.256
ATOM501CGAASN614.10174.1277.7920.5027.016
ATOM502CGBASN615.60874.8828.6780.5032.366
ATOM503OD1ASN613.50275.1258.1840.5028.588
ATOM504OD1ASN616.38374.8209.6370.5033.388
ATOM505ND2ASN613.52673.1727.0710.5034.397
ATOM506ND2ASN614.92775.9918.3840.5033.527
ATOM507CASN617.37172.3368.6281.0025.336
ATOM508OASN618.03072.5357.6171.0021.468
ATOM509NASP627.93271.9789.7671.0024.897
ATOM510CAASP629.37371.8429.9411.0021.376
ATOM511CBASP629.74972.28411.3721.0016.896
ATOM512CGASP629.62073.78211.5381.0026.206
ATOM513OD1ASP629.82474.54910.5701.0020.818
ATOM514OD2ASP629.27674.27312.6111.0017.908
ATOM515CASP629.88770.4399.6451.0018.696
ATOM516OASP6211.10470.2099.6541.0020.508
ATOM517NSER639.01169.4779.3941.0019.817
ATOM518CASER639.43468.1329.0151.0019.846
ATOM519CBSER638.26867.1648.8111.0022.046
ATOM520OGSER637.50667.01810.0091.0020.028
ATOM521CSER6310.19668.2047.6821.0023.896
ATOM522OSER6310.01569.1606.9111.0017.928
ATOM523NGLY6411.05667.1957.4671.0019.507
ATOM524CAGLY6411.76967.1916.1901.0022.236
ATOM525CGLY6413.27266.9656.3401.0019.816
ATOM526OGLY6413.74466.5647.3991.0018.938
ATOM527NGLU6513.98067.2265.2381.0017.017
ATOM528CAGLU6515.42867.0135.2691.0021.396
ATOM529CBAGLU6515.93466.5623.9010.5013.646
ATOM530CBBGLU6515.93366.4463.9470.5023.816
ATOM531CGAGLU6516.50765.1583.8130.5015.716
ATOM532CGBGLU6515.40965.0593.6020.5032.156
ATOM533CDAGLU6516.65664.6792.3810.5022.336
ATOM534CDBGLU6515.89863.9654.5200.5040.566
ATOM535OE1GLU6517.42865.2631.5860.5022.708
ATOM536OE1GLU6516.57864.2715.5250.5041.838
ATOM537OE2GLU6515.99163.6862.0140.5031.048
ATOM538OE2GLU6515.62462.7584.2780.5046.028
ATOM539CGLU6516.15568.3245.5931.0021.566
ATOM540OGLU6515.75669.3255.0071.0021.418
ATOM541NTYR6617.17268.2686.4581.0021.387
ATOM542CATYR6617.96669.4836.6911.0017.916
ATOM543CBTYR6617.95469.9848.1291.0017.396
ATOM544CGTYR6616.62070.5638.5341.0018.086
ATOM545CD1TYR6615.60569.6868.9571.0018.566
ATOM546CE1TYR6614.36970.1479.3231.0016.486
ATOM547CD2TYR6616.34871.9218.4851.0018.236
ATOM548CE2TYR6615.10272.3828.8671.0018.376
ATOM549CZTYR6614.12471.5169.2791.0018.986
ATOM550OHTYR6612.87271.9399.6241.0014.148
ATOM551CTYR6619.37969.2316.2121.0013.966
ATOM552OTYR6619.92368.1356.3531.0018.148
ATOM553NTHR6720.01070.2285.5681.0017.957
ATOM554CATHR6721.37470.1385.1171.0018.066
ATOM555CBTHR6721.51469.8443.5991.0022.526
ATOM556OG1THR6720.66970.7372.8351.0016.858
ATOM557CG2THR6721.21568.3713.3091.0017.466
ATOM558CTHR6722.04471.5085.3841.0018.766
ATOM559OTHR6721.35472.5155.5671.0017.478
ATOM560NCYS6823.35471.5405.3891.0019.747
ATOM561CACYS6824.09972.7925.5971.0023.506
ATOM562CCYS6825.38272.7594.7581.0023.126
ATOM563OCYS6825.79171.7124.2791.0025.078
ATOM564CBCYS6824.43473.0827.0551.0018.706
ATOM565SGCYS6825.67571.9857.7981.0023.4516
ATOM566NGLN6925.97573.9204.5341.0024.477
ATOM567CAGLN6927.17474.1213.7701.0024.996
ATOM568CBGLN6926.90974.3442.2641.0027.226
ATOM569CGGLN6928.15574.0571.4191.0025.146
ATOM570CDGLN6927.85774.022−0.0651.0032.436
ATOM571OE1GLN6926.71074.166−0.4871.0031.348
ATOM572NE2GLN6928.89673.814−0.8741.0027.897
ATOM573CGLN6927.90175.3834.2661.0027.606
ATOM574OGLN6927.28976.3524.7341.0025.378
ATOM575NTHR7029.20675.3184.1151.0028.737
ATOM576CATHR7030.05976.4654.4391.0032.106
ATOM577CBTHR7031.12576.1535.4911.0033.366
ATOM578OG1THR7030.61975.3116.5531.0045.268
ATOM579CG2THR7031.45377.4446.2101.0050.206
ATOM580CTHR7030.73776.8903.1381.0032.776
ATOM581OTHR7030.68076.1702.1301.0030.758
ATOM582NGLY7131.47278.0073.1751.0031.837
ATOM583CAGLY7132.22478.4692.0331.0027.976
ATOM584CGLY7133.37677.5441.6901.0029.946
ATOM585OGLY7133.93877.6680.5961.0032.378
ATOM586NGLN7233.84276.7072.5941.0024.867
ATOM587CAGLN7234.92075.7792.4571.0027.146
ATOM588CBGLN7235.86875.9743.6671.0027.316
ATOM589CGGLN7236.29177.4513.8251.0030.516
ATOM590CDGLN7236.96177.9952.5671.0030.536
ATOM591OE1GLN7237.98177.4412.1611.0039.958
ATOM592NE2GLN7236.40279.0141.9441.0031.167
ATOM593CGLN7234.53074.3052.4411.0029.606
ATOM594OGLN7235.41973.4422.5781.0030.828
ATOM595NTHR7333.24873.9542.3801.0025.837
ATOM596CATHR7332.86172.5492.4261.0026.626
ATOM597CBTHR7332.27872.1353.7921.0026.646
ATOM598OG1THR7331.22673.0514.1381.0027.548
ATOM599CG2THR7333.31372.1244.8971.0028.166
ATOM600CTHR7331.82472.2231.3711.0026.316
ATOM601OTHR7331.21073.1100.7761.0028.008
ATOM602NSER7431.68570.9271.0741.0028.627
ATOM603CASER7430.59270.6050.1121.0029.446
ATOM604CBSER7431.02069.470−0.8031.0030.456
ATOM605OGSER7431.40768.3990.0341.0041.058
ATOM606CSER7429.36670.3950.9921.0026.656
ATOM607OSER7429.46170.4382.2281.0025.578
ATOM608NLEU7528.17870.2810.4421.0029.477
ATOM609CALEU7526.91570.1631.1581.0025.106
ATOM610CBLEU7525.74970.1410.1591.0027.836
ATOM611CGLEU7524.34870.1360.7771.0027.246
ATOM612CD1LEU7523.88871.5541.0941.0024.136
ATOM613CD2LEU7523.34969.420−0.1331.0024.426
ATOM614CLEU7526.88468.9732.0871.0025.846
ATOM615OLEU7527.30067.8581.7111.0022.458
ATOM616NSER7626.37669.1583.3151.0023.317
ATOM617CASER7626.35768.0094.2191.0025.206
ATOM618CBSER7625.91668.4025.6441.0026.646
ATOM619OGSER7624.51468.6635.6241.0029.438
ATOM620CSER7625.34666.9553.7381.0023.006
ATOM621OSER7624.43167.3043.0061.0021.028
ATOM622NASP7725.50665.7394.2411.0022.247
ATOM623CAASP7724.49364.7124.0941.0026.036
ATOM624CBASP7724.90763.3624.6831.0020.276
ATOM625CGASP7725.91462.6763.7581.0025.736
ATOM626OD1ASP7725.82162.8932.5411.0023.798
ATOM627OD2ASP7726.76961.9544.2921.0028.928
ATOM628CASP7723.26765.1914.9291.0025.856
ATOM629OASP7723.42365.9045.9141.0024.008
ATOM630NPRO7822.09864.7584.4921.0027.377
ATOM631CDPRO7821.91763.9173.2751.0026.846
ATOM632CAPRO7820.84965.1305.0981.0025.426
ATOM633CBPRO7819.79564.5924.1411.0028.386
ATOM634CGPRO7820.45363.5863.2721.0027.246
ATOM635CPRO7820.57564.5566.4791.0025.286
ATOM636OPRO7821.00663.4596.8201.0023.688
ATOM637NVAL7919.83365.3317.2651.0020.247
ATOM638CAVAL7919.28764.8618.5351.0018.866
ATOM639CBVAL7919.85065.5169.7831.0019.496
ATOM640CG1VAL7919.04265.23911.0461.0022.256
ATOM641CG2VAL7921.27564.95910.0361.0021.956
ATOM642CVAL7917.77765.0468.3991.0019.766
ATOM643OVAL7917.28366.1308.0761.0022.348
ATOM644NHIS8017.02463.9558.5661.0019.437
ATOM645CAHIS8015.58463.9768.3871.0018.116
ATOM646CBHIS8015.13062.6217.7841.0026.876
ATOM647CGHIS8013.71262.7547.2931.0031.936
ATOM648CD2HIS8013.19462.9836.0691.0027.056
ATOM649ND1HIS8012.63762.6978.1761.0034.357
ATOM650CE1HIS8011.52562.8477.4801.0034.806
ATOM651NE2HIS8011.83163.0166.2101.0034.817
ATOM652CHIS8014.86564.1879.7181.0023.086
ATOM653OHIS8015.09663.49610.7091.0023.378
ATOM654NLEU8113.95365.1389.7471.0019.187
ATOM655CALEU8113.24465.47810.9571.0021.586
ATOM656CBLEU8113.56766.93711.3311.0018.206
ATOM657CGLEU8112.84767.38112.6051.0018.216
ATOM658CD1LEU8113.49666.70813.8121.0019.396
ATOM659CD2LEU8112.86568.91212.6961.0014.766
ATOM660CLEU8111.74765.25510.7831.0019.366
ATOM661OLEU8111.22565.5439.7201.0020.968
ATOM662NTHR8211.10064.68911.7931.0019.617
ATOM663CATHR829.64264.46311.6801.0018.456
ATOM664CBTHR829.31662.95011.6831.0025.986
ATOM665OG1THR829.90762.35110.5271.0018.898
ATOM666CG2THR827.79562.77511.6661.0024.986
ATOM667CTHR828.97165.10012.8911.0016.026
ATOM668OTHR829.24864.73514.0351.0014.798
ATOM669NVAL838.07566.04512.6471.0016.237
ATOM670CAVAL837.45166.75813.7531.0016.976
ATOM671CBVAL837.55968.28213.5301.0012.816
ATOM672CG1VAL837.05168.97214.7991.0015.926
ATOM673CG2VAL838.98668.76013.2461.0011.786
ATOM674CVAL836.02066.26413.8921.0019.976
ATOM675OVAL835.26166.32912.9181.0018.578
ATOM676NLEU845.68665.75615.0751.0016.897
ATOM677CALEU844.37265.18815.3121.0019.896
ATOM678CBLEU844.62163.78615.8901.0018.156
ATOM679CGLEU845.49162.86315.0211.0023.406
ATOM680CD1LEU845.92761.69015.8681.0025.206
ATOM681CD2LEU844.75262.39613.7581.0020.466
ATOM682CLEU843.48766.01616.2281.0022.296
ATOM683OLEU843.92866.89116.9751.0023.908
ATOM684NPHE852.18965.75016.2181.0021.037
ATOM685CAPHE851.25466.44417.1111.0022.926
ATOM686CBPHE850.39967.43116.3331.0021.766
ATOM687CGPHE85−0.44068.35017.1841.0027.906
ATOM688CD1PHE850.10369.01318.2661.0028.306
ATOM689CD2PHE85−1.78768.53316.8991.0026.616
ATOM690CE1PHE85−0.66469.87419.0401.0029.656
ATOM691CE2PHE85−2.55969.38617.6681.0025.616
ATOM692CZPHE85−1.99670.04718.7331.0028.756
ATOM693CPHE850.45565.39917.8521.0021.996
ATOM694OPHE85−0.64265.00017.4261.0022.118
ATOM695NGLU861.02364.88318.9381.0020.767
ATOM696CAGLU860.42163.76219.7021.0018.046
ATOM697CBGLU861.14262.46319.2101.0020.846
ATOM698CGGLU860.71161.81517.9111.0025.056
ATOM699CDGLU861.64761.04817.0191.0041.966
ATOM700OE1GLU862.71960.50717.4161.0046.148
ATOM701OE2GLU861.42960.89315.7651.0040.778
ATOM702CGLU860.69464.02621.1761.0018.466
ATOM703OGLU861.58864.83921.4621.0016.678
ATOM704NTRP870.03163.40822.1561.0012.607
ATOM705CATRP870.32863.63123.5531.0013.016
ATOM706CBTRP87−0.80863.05624.4111.0018.406
ATOM707CGTRP87−1.92264.02324.6871.0021.876
ATOM708CD2TRP87−1.81265.17625.5211.0021.146
ATOM709CE2TRP87−3.06565.80525.5261.0024.316
ATOM710CE3TRP87−0.76765.73826.2551.0024.846
ATOM711CD1TRP87−3.21663.98524.2311.0022.526
ATOM712NE1TRP87−3.90765.06924.7341.0022.537
ATOM713CZ2TRP87−3.30366.96626.2661.0029.916
ATOM714CZ3TRP87−0.99866.89026.9871.0029.836
ATOM715CH2TRP87−2.25467.49926.9701.0029.096
ATOM716CTRP871.59962.96724.0681.0015.446
ATOM717OTRP872.17863.49925.0181.0016.688
ATOM718NLEU882.03661.87323.4471.0014.447
ATOM719CALEU883.15361.05123.8611.0020.076
ATOM720CBLEU882.59659.94224.7831.0017.496
ATOM721CGLEU883.60859.30325.7691.0016.976
ATOM722CD1LEU884.06260.29926.8301.0017.386
ATOM723CD2LEU882.98758.05326.3701.0013.936
ATOM724CLEU883.88960.39922.6771.0020.446
ATOM725OLEU883.25559.85721.7521.0019.658
ATOM726NVAL895.21860.51722.6201.0018.117
ATOM727CAVAL895.99859.92621.5421.0014.666
ATOM728CBAVAL896.68661.02920.6990.507.526
ATOM729CBBVAL896.67760.94120.6040.5013.866
ATOM730CG1VAL897.57361.89021.5970.507.136
ATOM731CG1VAL895.69661.40919.5430.5015.876
ATOM732CG2VAL897.50160.48619.5310.503.916
ATOM733CG2VAL897.26462.09021.4020.5018.656
ATOM734CVAL897.10959.03222.1071.0015.716
ATOM735OVAL897.68959.26223.1791.0014.528
ATOM736NLEU907.37957.95821.3861.0015.137
ATOM737CALEU908.52057.13321.7031.0013.726
ATOM738CBLEU908.28755.62521.4881.0017.876
ATOM739CGLEU909.65054.97821.8731.0026.076
ATOM740CD1LEU909.47954.06623.0361.0030.576
ATOM741CD2LEU9010.37354.46320.6621.0025.076
ATOM742CLEU909.65757.67420.8031.0017.586
ATOM743OLEU909.61157.51719.5761.0014.468
ATOM744NGLN9110.67358.29821.4121.0015.837
ATOM745CAGLN9111.74558.90820.6231.0017.706
ATOM746CBGLN9112.25260.23821.2641.0015.036
ATOM747CGGLN9111.10561.23121.4721.0012.816
ATOM748CDGLN9111.56462.63621.8681.0015.796
ATOM749OE1GLN9112.02362.82322.9881.0014.618
ATOM750NE2GLN9111.40963.61020.9841.0016.277
ATOM751CGLN9112.97158.04220.3751.0017.716
ATOM752OGLN9113.37057.29621.2681.0019.378
ATOM753NTHR9213.60758.20719.2181.0014.057
ATOM754CATHR9214.85357.48818.9341.0019.016
ATOM755CBTHR9214.56256.22518.0891.0016.406
ATOM756OG1THR9215.76955.48517.9051.0018.398
ATOM757CG2THR9213.94356.49916.7201.0010.456
ATOM758CTHR9215.80358.41618.1731.0018.966
ATOM759OTHR9215.33959.27217.4091.0021.888
ATOM760NPRO9317.09558.15318.2511.0018.787
ATOM761CDPRO9317.74757.16919.1351.0022.166
ATOM762CAPRO9318.09058.92917.5301.0024.376
ATOM763CBPRO9319.35258.80318.3711.0024.996
ATOM764CGPRO9319.16257.60919.2351.0026.056
ATOM765CPRO9318.28558.36216.1381.0027.026
ATOM766OPRO9318.85259.01915.2481.0027.048
ATOM767NHIS9417.97857.06915.9601.0024.227
ATOM768CAHIS9418.11456.42114.6511.0025.726
ATOM769CBHIS9419.44455.69014.4391.0020.096
ATOM770CGHIS9420.63956.58714.5951.0021.676
ATOM771CD2HIS9421.16157.53013.7981.0023.306
ATOM772ND1HIS9421.38056.59515.7541.0027.497
ATOM773CE1HIS9422.33857.50115.6571.0026.546
ATOM774NE2HIS9422.21158.07814.4821.0032.107
ATOM775CHIS9417.03855.35014.4531.0024.496
ATOM776OHIS9416.48154.83815.4291.0024.018
ATOM777NLEU9516.84754.92913.2141.0021.967
ATOM778CALEU9515.90053.84712.9601.0026.066
ATOM779CBLEU9515.01454.11811.7411.0026.666
ATOM780CGLEU9513.99455.24811.8991.0035.196
ATOM781CD1LEU9513.44955.60110.5251.0025.666
ATOM782CD2LEU9512.89554.90812.9001.0024.136
ATOM783CLEU9516.62652.52512.7201.0026.306
ATOM784OLEU9515.99951.46412.7901.0026.838
ATOM785NGLU9617.88452.60112.3261.0025.447
ATOM786CAGLU9618.68851.41312.0871.0028.556
ATOM787CBGLU9619.06251.14410.6341.0028.976
ATOM788CGGLU9617.97751.3349.6051.0034.466
ATOM789CDGLU9618.41451.1098.1681.0042.076
ATOM790OE1GLU9619.56050.7097.8821.0041.538
ATOM791OE2GLU9617.59251.3437.2561.0045.318
ATOM792CGLU9619.99551.57512.8851.0032.226
ATOM793OGLU9620.52552.68613.0151.0031.688
ATOM794NPHE9720.39650.48713.5381.0029.387
ATOM795CAPHE9721.62250.44714.3151.0031.456
ATOM796CBPHE9721.38850.35115.8321.0029.886
ATOM797CGPHE9720.64051.49716.4641.0028.916
ATOM798CD1PHE9719.25651.58016.3861.0019.886
ATOM799CD2PHE9721.31152.50317.1311.0027.066
ATOM800CE1PHE9718.55752.62416.9711.0023.296
ATOM801CE2PHE9720.62253.54517.7191.0023.276
ATOM802CZPHE9719.24453.62617.6361.0025.876
ATOM803CPHE9722.45549.23313.8611.0031.116
ATOM804OPHE9722.00748.33413.1641.0032.318
ATOM805NGLN9823.72649.21314.2191.0034.147
ATOM806CAGLN9824.63648.13113.9391.0033.316
ATOM807CBGLN9826.04248.62913.6351.0038.156
ATOM808CGGLN9826.20749.42212.3561.0045.656
ATOM809CDGLN9825.76348.71211.0971.0049.996
ATOM810OE1GLN9826.45547.82810.5891.0052.588
ATOM811NE2GLN9824.60349.08810.5631.0053.067
ATOM812CGLN9824.66247.21815.1721.0031.486
ATOM813OGLN9824.45947.66416.3001.0027.988
ATOM814NGLU9924.99045.95514.9201.0030.757
ATOM815CAGLU9925.11244.97816.0091.0032.566
ATOM816CBGLU9925.59843.65315.4201.0036.896
ATOM817CGGLU9925.20442.39216.1411.0044.866
ATOM818CDGLU9924.77141.28815.1841.0048.456
ATOM819OE1GLU9923.80240.57315.5211.0053.908
ATOM820OE2GLU9925.40041.14814.1181.0050.568
ATOM821CGLU9926.13045.55116.9801.0031.146
ATOM822OGLU9927.13646.04816.4751.0031.948
ATOM823NGLY10025.91945.57118.2751.0032.197
ATOM824CAGLY10026.87446.12319.2171.0031.106
ATOM825CGLY10026.64347.54119.6961.0031.516
ATOM826OGLY10027.08247.93120.7891.0030.308
ATOM827NGLU10125.94848.36918.9211.0034.417
ATOM828CAGLU10125.67549.74619.2971.0034.076
ATOM829CBGLU10124.94950.45218.1481.0037.866
ATOM830CGGLU10125.77750.67616.8891.0048.386
ATOM831CDGLU10124.98451.52015.8951.0049.176
ATOM832OE1GLU10124.25152.40816.3851.0058.518
ATOM833OE2GLU10125.04651.33314.6691.0048.568
ATOM834CGLU10124.78349.84820.5371.0033.066
ATOM835OGLU10124.08648.88820.8861.0027.708
ATOM836NTHR10224.74751.05721.1071.0031.927
ATOM837CATHR10223.87051.30322.2481.0032.856
ATOM838CBTHR10224.50852.16123.3411.0035.756
ATOM839OG1THR10225.54651.43824.0211.0036.798
ATOM840CG2THR10223.53252.57724.4411.0035.826
ATOM841CTHR10222.58251.94421.7211.0032.546
ATOM842OTHR10222.65052.93220.9911.0030.038
ATOM843NILE10321.43151.32922.0141.0028.537
ATOM844CAILE10320.16251.93921.5901.0025.406
ATOM845CBILE10319.13150.87321.1631.0026.586
ATOM846CG2ILE10317.77651.49620.8281.0025.476
ATOM847CG1ILE10319.66950.08019.9711.0021.796
ATOM848CD1ILE10318.73949.00319.4381.0019.736
ATOM849CILE10319.62452.75322.7671.0025.276
ATOM850OILE10319.43952.18123.8531.0023.068
ATOM851NMET10419.44354.05922.5911.0024.907
ATOM852CAMET10418.89354.91323.6391.0021.556
ATOM853CBMET10419.79756.09723.9631.0033.486
ATOM854CGMET10420.81055.82625.1011.0029.686
ATOM855SDMET10421.94057.25625.2421.0046.0216
ATOM856CEMET10422.66757.21623.5891.0031.106
ATOM857CMET10417.52855.45623.2151.0021.276
ATOM858OMET10417.37455.99122.1061.0022.968
ATOM859NLEU10516.50355.24224.0271.0020.557
ATOM860CALEU10515.13455.66823.7281.0022.336
ATOM861CBLEU10514.19254.45023.5501.0014.666
ATOM862CGLEU10514.71353.38922.5611.0018.896
ATOM863CD1LEU10513.79652.17822.4891.0019.446
ATOM864CD2LEU10514.88254.05621.1861.0018.706
ATOM865CLEU10514.56756.55924.8171.0020.156
ATOM866OLEU10515.05056.50625.9501.0018.398
ATOM867NARG10613.52357.32424.4831.0018.257
ATOM868CAARG10612.91258.17425.5161.0017.876
ATOM869CBARG10613.60759.55325.5081.0014.966
ATOM870CGARG10612.83460.59726.2901.0016.796
ATOM871CDARG10613.69961.78826.7571.0019.516
ATOM872NEARG10613.33462.92726.0251.0023.467
ATOM873CZARG10612.99064.17426.0651.0024.436
ATOM874NH1ARG10612.92364.89227.1761.0025.937
ATOM875NH2ARG10612.69764.79524.9361.0018.727
ATOM876CARG10611.42258.32125.3041.0018.566
ATOM877OARG10610.99858.47924.1421.0020.438
ATOM878NCYS10710.64258.24626.3781.0015.237
ATOM879CACYS1079.18958.41926.2921.0014.896
ATOM880CCYS1078.93459.89126.5831.0015.286
ATOM881OCYS1079.29660.29427.6901.0015.968
ATOM882CBCYS1078.43857.56527.3221.0014.556
ATOM883SGCYS1076.69157.36827.0131.0013.9116
ATOM884NHIS1088.44660.65325.6041.0015.077
ATOM885CAHIS1088.33462.10325.8111.0011.916
ATOM886CBHIS1089.19062.75724.7081.0016.036
ATOM887CGHIS1089.11964.24024.5721.0016.946
ATOM888CD2HIS1089.06865.02323.4621.0017.646
ATOM889ND1HIS1089.10365.10825.6571.0017.417
ATOM890CE1HIS1089.03466.35025.2151.0017.376
ATOM891NE2HIS1089.02166.33323.8951.0020.007
ATOM892CHIS1086.92562.64725.7331.0011.836
ATOM893OHIS1086.22462.36124.7621.0012.548
ATOM894NSER1096.51563.50226.6541.0013.707
ATOM895CASER1095.16064.09126.6051.0011.706
ATOM896CBSER1094.58364.13428.0411.0013.476
ATOM897OGSER1095.60964.84528.8001.0016.168
ATOM898CSER1095.19065.45925.9701.0014.216
ATOM899OSER1096.18066.23225.9031.0014.638
ATOM900NTRP1104.04765.80425.3811.0016.587
ATOM901CATRP1103.86067.10224.7081.0016.046
ATOM902CBTRP1102.48067.15824.0721.0018.736
ATOM903CGTRP1102.18768.42523.3061.0021.246
ATOM904CD2TRP1101.13569.33923.5891.0020.706
ATOM905CE2TRP1101.19370.36122.6161.0025.926
ATOM906CE3TRP1100.11269.37224.5491.0024.166
ATOM907CD1TRP1102.82768.90822.2141.0022.226
ATOM908NE1TRP1102.23370.06921.7651.0022.817
ATOM909CZ2TRP1100.27671.40422.5681.0024.186
ATOM910CZ3TRP110−0.78170.43424.5091.0030.156
ATOM911CH2TRP110−0.69871.43323.5261.0031.046
ATOM912CTRP1104.08268.24525.6811.0014.446
ATOM913OTRP1103.66568.21926.8521.0017.088
ATOM914NLYS1114.92869.19925.2941.0019.427
ATOM915CALYS1115.34770.32526.1151.0019.406
ATOM916CBLYS1114.13171.24126.4181.0021.006
ATOM917CGLYS1113.58371.90425.1551.0024.946
ATOM918CDLYS1112.12472.28725.3371.0034.176
ATOM919CELYS1111.95273.71925.7811.0037.496
ATOM920NZLYS1112.78374.66824.9871.0052.667
ATOM921CLYS1115.94069.92127.4501.0020.336
ATOM922OLYS1115.90570.69428.4191.0016.808
ATOM923NASP1126.44468.69527.6021.0018.287
ATOM924CAASP1126.98968.23328.8611.0020.316
ATOM925CBASP1128.24269.08829.1911.0024.526
ATOM926CGASP1129.30668.73728.1551.0031.396
ATOM927OD1ASP1129.70067.54528.1191.0039.688
ATOM928OD2ASP1129.71969.58827.3601.0035.008
ATOM929CASP1126.01568.20330.0181.0023.406
ATOM930OASP1126.42668.47531.1481.0023.428
ATOM931NLYS1134.73167.88929.7851.0023.107
ATOM932CALYS1133.79267.72130.8911.0022.356
ATOM933CBLYS1132.35267.43230.4371.0021.686
ATOM934CGLYS1131.75868.61129.6591.0027.096
ATOM935CDLYS1130.23268.57429.6081.0028.346
ATOM936CELYS113−0.26969.78028.8161.0032.926
ATOM937NZLYS113−0.19671.07529.5541.0033.557
ATOM938CLYS1134.35266.59731.7481.0019.866
ATOM939OLYS1134.89065.60331.2641.0021.458
ATOM940NPRO1144.28866.76133.0661.0020.087
ATOM941CDPRO1143.70167.92833.7681.0016.956
ATOM942CAPRO1144.92365.80133.9571.0017.006
ATOM943CBPRO1144.54866.29235.3421.0019.226
ATOM944CGPRO1144.16967.73335.1761.0021.346
ATOM945CPRO1144.45164.40533.6361.0016.836
ATOM946OPRO1143.23764.12533.5121.0016.018
ATOM947NLEU1155.41463.48333.5601.0015.957
ATOM948CALEU1155.08162.10433.2151.0017.106
ATOM949CBLEU1155.76961.87931.8561.0016.836
ATOM950CGLEU1155.79060.49831.2311.0021.646
ATOM951CD1LEU1154.39960.13230.7331.0019.246
ATOM952CD2LEU1156.77760.48630.0431.0019.806
ATOM953CLEU1155.60661.11634.2261.0021.136
ATOM954OLEU1156.78861.20034.5691.0018.848
ATOM955NVAL1164.83960.10534.6301.0020.517
ATOM956CAVAL1165.31459.07335.5451.0020.406
ATOM957CBVAL1164.78759.27736.9711.0018.726
ATOM958CG1VAL1165.31360.54737.6441.0022.676
ATOM959CG2VAL1163.25759.32836.9981.0022.126
ATOM960CVAL1164.80757.70335.0731.0019.736
ATOM961OVAL1163.91057.68234.2231.0020.768
ATOM962NLYS1175.26856.61535.6931.0017.347
ATOM963CALYS1174.76055.29035.3811.0020.336
ATOM964CBLYS1173.27155.18235.8021.0021.746
ATOM965CGLYS1173.11554.92737.3011.0024.436
ATOM966CDLYS1171.79355.44537.8321.0032.696
ATOM967CELYS1170.79854.31438.0561.0040.276
ATOM968NZLYS117−0.56854.86538.2661.0044.067
ATOM969CLYS1174.95654.93633.9141.0018.586
ATOM970OLYS1174.02654.53533.2341.0024.358
ATOM971NVAL1186.18155.06333.4171.0020.457
ATOM972CAVAL1186.54254.79832.0391.0019.156
ATOM973CBVAL1187.75655.64331.6071.0012.176
ATOM974CG1VAL1188.19955.39630.1761.0018.946
ATOM975CG2VAL1187.40857.12931.7941.0016.756
ATOM976CVAL1186.86853.33031.7971.0018.586
ATOM977OVAL1187.60652.71732.5641.0017.168
ATOM978NTHR1196.30752.80330.7111.0015.947
ATOM979CATHR1196.52751.42530.3351.0016.506
ATOM980CBTHR1195.29150.52330.3671.0019.596
ATOM981OG1THR1194.77050.41031.6931.0023.118
ATOM982CG2THR1195.69549.12329.8721.0024.836
ATOM983CTHR1197.05351.42428.8811.0017.816
ATOM984OTHR1196.43652.13028.0951.0014.368
ATOM985NPHE1208.12150.67928.6431.0014.867
ATOM986CAPHE1208.61650.60827.2591.0013.856
ATOM987CBPHE12010.12250.79727.2401.0015.516
ATOM988CGPHE12010.55352.23027.4631.0013.386
ATOM989CD1PHE12010.74852.70128.7501.0020.156
ATOM990CD2PHE12010.79253.05126.3811.0020.086
ATOM991CE1PHE12011.18654.00228.9531.0017.146
ATOM992CE2PHE12011.23054.36726.5781.0022.126
ATOM993CZPHE12011.42354.81827.8671.0017.106
ATOM994CPHE1208.27949.21626.7211.0017.136
ATOM995OPHE1208.64048.22127.4071.0014.788
ATOM996NPHE1217.62649.16625.5751.0016.207
ATOM997CAPHE1217.27747.86825.0111.0018.836
ATOM998CBPHE1215.79947.82124.6161.0013.506
ATOM999CGPHE1214.76848.05225.6561.0018.606
ATOM1000CD1PHE1214.36849.33926.0171.0017.376
ATOM1001CD2PHE1214.20846.96126.3341.0018.446
ATOM1002CE1PHE1213.40949.52427.0061.0019.786
ATOM1003CE2PHE1213.26047.17327.3131.0022.696
ATOM1004CZPHE1212.84348.44527.6601.0015.746
ATOM1005CPHE1218.07447.53923.7491.0018.446
ATOM1006OPHE1218.35148.45422.9871.0015.638
ATOM1007NGLN1228.33346.25323.4801.0019.357
ATOM1008CAGLN1228.95945.88022.2031.0019.906
ATOM1009CBGLN12210.39645.37922.3171.0016.326
ATOM1010CGGLN12210.78444.58321.0651.0018.396
ATOM1011CDGLN12212.05043.76421.2471.0021.986
ATOM1012OE1GLN12212.42343.46122.3741.0019.188
ATOM1013NE2GLN12212.70043.39620.1531.0024.517
ATOM1014CGLN1228.06744.77421.6091.0015.346
ATOM1015OGLN1227.78943.83222.3211.0017.308
ATOM1016NASN1237.47444.93120.4391.0018.987
ATOM1017CAASN1236.54243.97519.8591.0022.956
ATOM1018CBASN1237.24142.70819.3321.0019.576
ATOM1019CGASN1238.22843.13018.2441.0026.316
ATOM1020OD1ASN1238.01344.05317.4411.0019.768
ATOM1021ND2ASN1239.37542.46318.2131.0028.577
ATOM1022CASN1235.39743.64320.8031.0021.026
ATOM1023OASN1234.91142.52520.9181.0019.198
ATOM1024NGLY1244.95144.63221.5791.0019.777
ATOM1025CAGLY1243.85244.51622.4951.0016.416
ATOM1026CGLY1244.15943.88523.8441.0014.856
ATOM1027OGLY1243.21043.65824.6111.0015.058
ATOM1028NLYS1255.40543.61024.1331.0013.817
ATOM1029CALYS1255.83042.99725.3791.0021.186
ATOM1030CBLYS1256.70041.73825.2471.0014.856
ATOM1031CGLYS1256.93441.03226.5591.0016.286
ATOM1032CDLYS1257.40639.58726.2811.0022.516
ATOM1033CELYS1257.92538.98927.5871.0030.626
ATOM1034NZLYS1258.82237.81827.3301.0036.727
ATOM1035CLYS1256.72544.01426.1211.0018.206
ATOM1036OLYS1257.64844.52525.5091.0019.988
ATOM1037NSER1266.38544.21627.3931.0017.627
ATOM1038CASER1267.10745.24128.1551.0020.036
ATOM1039CBSER1266.35545.45929.4851.0023.226
ATOM1040OGSER1267.31745.77330.4661.0038.128
ATOM1041CSER1268.54144.82328.3891.0017.856
ATOM1042OSER1268.84243.65728.6471.0021.318
ATOM1043NGLN1279.49045.71828.2541.0017.167
ATOM1044CAGLN12710.89845.51528.4081.0017.456
ATOM1045CBGLN12711.72346.07327.2251.0020.826
ATOM1046CGGLN12711.35245.41925.8971.0018.566
ATOM1047CDGLN12711.49743.91225.9271.0024.446
ATOM1048OE1GLN12712.60643.41626.1161.0031.628
ATOM1049NE2GLN12710.43643.13025.7731.0019.157
ATOM1050CGLN12711.38646.25129.6611.0020.946
ATOM1051OGLN12712.43945.92930.1791.0018.258
ATOM1052NLYS12810.64347.28530.0321.0021.187
ATOM1053CALYS12811.07048.04831.2161.0023.106
ATOM1054CBLYS12812.17749.03430.8421.0021.836
ATOM1055CGLYS12812.68349.88232.0131.0024.676
ATOM1056CDLYS12813.73950.90531.5891.0018.236
ATOM1057CELYS12814.04851.74632.8701.0027.026
ATOM1058NZLYS12815.08152.79432.5741.0024.247
ATOM1059CLYS1289.88448.84431.7541.0024.936
ATOM1060OLYS1289.19349.48130.9601.0020.798
ATOM1061NPHE1299.67848.82233.0621.0021.397
ATOM1062CAPHE1298.70849.69533.6951.0024.456
ATOM1063CBPHE1297.61048.92634.4581.0025.506
ATOM1064CGPHE1296.77249.83735.3271.0025.516
ATOM1065CD1PHE1295.79950.63034.7621.0019.406
ATOM1066CD2PHE1297.00249.92836.7001.0029.986
ATOM1067CE1PHE1295.02651.49135.5351.0025.006
ATOM1068CE2PHE1296.24950.78837.4911.0028.846
ATOM1069CZPHE1295.26251.57436.9021.0032.296
ATOM1070CPHE1299.48050.57734.6871.0027.886
ATOM1071OPHE12910.38850.04935.3591.0030.998
ATOM1072NSER1309.13451.84634.8531.0026.677
ATOM1073CASER1309.77952.64135.9171.0024.986
ATOM1074CBSER13011.02553.34435.4221.0021.296
ATOM1075OGSER13011.27154.46536.2501.0025.728
ATOM1076CSER1308.77753.66736.4341.0024.396
ATOM1077OSER1308.12354.28535.5761.0024.918
ATOM1078NHIS1318.66853.88937.7301.0022.127
ATOM1079CAHIS1317.71054.90138.2041.0023.656
ATOM1080CBHIS1317.60454.91839.7371.0028.356
ATOM1081CGHIS1316.85953.70640.1971.0023.576
ATOM1082CD2HIS1317.30752.50940.6421.0018.556
ATOM1083ND1HIS1315.47853.66640.1701.0026.697
ATOM1084CE1HIS1315.09552.47840.6171.0016.656
ATOM1085NE2HIS1316.17351.76440.8901.0023.947
ATOM1086CHIS1318.10856.31437.8141.0023.896
ATOM1087OHIS1317.26157.20537.7121.0026.218
ATOM1088NLEU1329.42656.54837.6891.0021.777
ATOM1089CALEU1329.88657.90037.4801.0020.706
ATOM1090CBLEU13210.63058.36138.7601.0030.286
ATOM1091CGLEU13210.02258.08440.1481.0026.566
ATOM1092CD1LEU13211.07358.31641.2291.0029.076
ATOM1093CD2LEU1328.81458.98040.4351.0024.996
ATOM1094CLEU13210.76258.14436.2791.0022.946
ATOM1095OLEU13210.79459.32635.9001.0022.018
ATOM1096NASP13311.54157.18135.7781.0021.757
ATOM1097CAASP13312.46957.40134.6791.0024.626
ATOM1098CBASP13313.56056.32734.8541.0029.716
ATOM1099CGASP13314.73456.32133.9151.0032.906
ATOM1100OD1ASP13314.83757.25433.0831.0032.918
ATOM1101OD2ASP13315.59755.39434.0001.0036.018
ATOM1102CASP13311.84357.23033.2961.0025.886
ATOM1103OASP13311.41956.13632.9401.0024.368
ATOM1104NPRO13411.85758.26132.4601.0024.657
ATOM1105CDPRO13412.34759.62032.7781.0022.976
ATOM1106CAPRO13411.29358.18531.1121.0024.006
ATOM1107CBPRO13410.88959.66230.8701.0024.026
ATOM1108CGPRO13411.98760.43331.5441.0023.046
ATOM1109CPRO13412.25657.76430.0171.0022.116
ATOM1110OPRO13411.97057.93028.8241.0019.008
ATOM1111NTHR13513.42057.21230.3501.0021.437
ATOM1112CATHR13514.42456.80529.4011.0024.986
ATOM1113CBTHR13515.74857.58429.5931.0027.246
ATOM1114OG1THR13516.33157.06530.7961.0024.998
ATOM1115CG2THR13515.46159.06929.7061.0026.076
ATOM1116CTHR13514.74755.31229.4511.0023.586
ATOM1117OTHR13514.44554.62930.4231.0026.148
ATOM1118NPHE13615.26754.79028.3471.0020.637
ATOM1119CAPHE13615.54953.39128.1501.0020.106
ATOM1120CBPHE13614.34352.70627.5231.0025.476
ATOM1121CGPHE13614.40851.25027.1701.0025.616
ATOM1122CD1PHE13614.52850.27028.1211.0027.006
ATOM1123CD2PHE13614.33250.84725.8411.0027.456
ATOM1124CE1PHE13614.57148.92927.7871.0032.626
ATOM1125CE2PHE13614.38549.51625.4901.0028.466
ATOM1126CZPHE13614.49348.54926.4631.0030.416
ATOM1127CPHE13616.79653.19727.2971.0024.006
ATOM1128OPHE13616.95253.80126.2301.0024.508
ATOM1129NSER13717.66552.29427.7301.0021.977
ATOM1130CASER13718.91452.01027.0501.0026.526
ATOM1131CBSER13720.12052.41827.9081.0030.036
ATOM1132OGSER13720.76953.55927.4121.0044.198
ATOM1133CSER13719.12850.50726.8401.0027.386
ATOM1134OSER13718.91149.69427.7211.0027.338
ATOM1135NILE13819.65450.16425.6861.0025.867
ATOM1136CAILE13820.00448.80625.3431.0029.466
ATOM1137CBILE13819.18948.17624.1931.0033.386
ATOM1138CG2ILE13819.66946.74823.9411.0027.236
ATOM1139CG1ILE13817.67948.19724.4721.0030.556
ATOM1140CD1ILE13816.81748.15523.2231.0029.536
ATOM1141CILE13821.47748.87524.9261.0029.886
ATOM1142OILE13821.76849.37723.8491.0027.998
ATOM1143NPRO13922.34548.47625.8371.0031.717
ATOM1144CDPRO13922.01847.93827.1841.0032.736
ATOM1145CAPRO13923.77648.39825.5981.0033.856
ATOM1146CBPRO13924.38048.21326.9831.0036.136
ATOM1147CGPRO13923.24848.38427.9501.0034.996
ATOM1148CPRO13924.03047.16024.7411.0035.636
ATOM1149OPRO13923.32446.16024.8881.0038.228
ATOM1150NGLN14024.97447.20823.8271.0036.977
ATOM1151CAGLN14025.28846.11022.9351.0035.176
ATOM1152CBGLN14026.22345.12423.6311.0043.876
ATOM1153CGGLN14027.51845.80224.0881.0049.776
ATOM1154CDGLN14027.88345.28225.4681.0056.216
ATOM1155OE1GLN14028.14544.08425.5931.0057.448
ATOM1156NE2GLN14027.88346.16126.4681.0057.257
ATOM1157CGLN14024.06045.41822.3621.0034.616
ATOM1158OGLN14023.67744.28422.6931.0033.348
ATOM1159NALA14123.47346.11121.3911.0029.807
ATOM1160CAALA14122.28745.63420.6941.0030.026
ATOM1161CBALA14121.77846.74519.7741.0027.896
ATOM1162CALA14122.56144.40019.8321.0029.526
ATOM1163OALA14123.65044.27019.2631.0029.608
ATOM1164NASN14221.52843.58219.6651.0030.607
ATOM1165CAASN14221.64242.43518.7381.0031.556
ATOM1166CBASN14221.98541.13919.4531.0030.396
ATOM1167CGASN14221.01240.74920.5341.0031.636
ATOM1168OD1ASN14219.83840.42320.2681.0027.578
ATOM1169ND2ASN14221.47940.73921.7811.0033.237
ATOM1170CASN14220.35742.32117.9361.0032.336
ATOM1171OASN14219.45343.16818.1221.0029.098
ATOM1172NHIS14320.22341.25717.1341.0029.407
ATOM1173CAHIS14319.07541.08616.2661.0028.826
ATOM1174CBHIS14319.26239.89515.2721.0024.516
ATOM1175CGHIS14320.36040.23414.2951.0031.726
ATOM1176CD2HIS14320.70441.42013.7401.0033.886
ATOM1177ND1HIS14321.27839.32813.8221.0032.867
ATOM1178CE1HIS14322.11739.92713.0081.0031.846
ATOM1179NE2HIS14321.79441.20212.9411.0031.487
ATOM1180CHIS14317.74740.85716.9761.0026.626
ATOM1181OHIS14316.69641.09816.3661.0025.968
ATOM1182NSER14417.81240.41218.2211.0020.857
ATOM1183CASER14416.55740.12818.9411.0024.826
ATOM1184CBSER14416.83938.97919.9151.0030.286
ATOM1185OGSER14417.73939.38920.9301.0039.118
ATOM1186CSER14415.97641.42319.4741.0024.896
ATOM1187OSER14414.77541.51819.7551.0025.228
ATOM1188NHIS14516.74642.52219.4631.0020.337
ATOM1189CAHIS14516.30643.86119.8111.0019.386
ATOM1190CBHIS14517.47444.76220.3021.0019.406
ATOM1191CGHIS14518.14544.21221.5341.0018.376
ATOM1192CD2HIS14517.62043.88622.7441.0018.226
ATOM1193ND1HIS14519.49343.96521.6271.0023.557
ATOM1194CE1HIS14519.76843.49222.8291.0026.336
ATOM1195NE2HIS14518.64343.41223.5251.0021.057
ATOM1196CHIS14515.58944.55318.6571.0022.056
ATOM1197OHIS14515.01345.63618.8481.0021.868
ATOM1198NSER14615.56943.99717.4401.0020.667
ATOM1199CASER14614.83344.64916.3631.0019.966
ATOM1200CBSER14615.07544.00914.9861.0020.486
ATOM1201OGSER14616.44244.15414.6131.0025.618
ATOM1202CSER14613.33944.59616.6561.0020.516
ATOM1203OSER14612.91543.61417.2871.0022.068
ATOM1204NGLY14712.55645.57816.1971.0016.707
ATOM1205CAGLY14711.12345.38316.4111.0020.496
ATOM1206CGLY14710.38546.71416.5551.0022.636
ATOM1207OGLY14710.98247.76216.3321.0016.098
ATOM1208NASP1489.11146.56016.9511.0020.627
ATOM1209CAASP1488.32447.77717.1211.0021.576
ATOM1210CBASP1486.88247.57916.6741.0028.996
ATOM1211CGASP1486.81947.14415.2191.0041.076
ATOM1212OD1ASP1487.84947.33814.5401.0039.218
ATOM1213OD2ASP1485.76346.62014.8081.0039.408
ATOM1214CASP1488.31548.21418.5901.0020.726
ATOM1215OASP1487.81747.46919.4471.0020.278
ATOM1216NTYR1498.82249.44018.7981.0016.977
ATOM1217CATYR1498.81149.96620.1641.0018.606
ATOM1218CBTYR14910.19350.58720.4721.0016.946
ATOM1219CGTYR14911.27249.53420.6061.0018.456
ATOM1220CD1TYR14911.90148.92819.5281.0019.276
ATOM1221CE1TYR14912.87747.94819.7371.0020.186
ATOM1222CD2TYR14911.67249.16221.8791.0018.366
ATOM1223CE2TYR14912.63648.21622.1161.0015.606
ATOM1224CZTYR14913.23847.60621.0271.0018.776
ATOM1225OHTYR14914.21146.66021.2531.0018.418
ATOM1226CTYR1497.76751.06120.3551.0015.786
ATOM1227OTYR1497.53951.85919.4501.0015.868
ATOM1228NHIS1507.19651.12621.5591.0015.017
ATOM1229CAHIS1506.24752.17121.9251.0012.996
ATOM1230CBHIS1504.84951.98021.3721.0011.966
ATOM1231CGHIS1503.94251.03222.1171.0017.716
ATOM1232CD2HIS1502.94451.29523.0041.0016.096
ATOM1233ND1HIS1503.98849.66021.9711.0011.607
ATOM1234CE1HIS1503.05849.10322.7161.0016.956
ATOM1235NE2HIS1502.40750.05723.3701.0019.227
ATOM1236CHIS1506.26352.27023.4621.0013.376
ATOM1237OHIS1506.92251.44824.1291.0012.788
ATOM1238NCYS1515.68053.35523.9571.0014.217
ATOM1239CACYS1515.67053.55925.4141.0015.386
ATOM1240CCYS1514.30153.98225.8801.0016.276
ATOM1241OCYS1513.42254.40425.1321.0015.158
ATOM1242CBCYS1516.74654.56225.8561.0016.856
ATOM1243SGCYS1516.58156.26925.2481.0014.8216
ATOM1244NTHR1524.08053.80527.1861.0017.417
ATOM1245CATHR1522.87554.22327.8621.0017.276
ATOM1246CBTHR1521.89953.13128.3051.0021.806
ATOM1247OG1THR1522.52752.21229.2051.0017.538
ATOM1248CG2THR1521.35652.38827.0751.0017.126
ATOM1249CTHR1523.34654.98929.1271.0019.836
ATOM1250OTHR1524.47154.72429.6001.0016.218
ATOM1251NGLY1532.49655.91329.5341.0017.847
ATOM1252CAGLY1532.81556.70630.7311.0020.336
ATOM1253CGLY1531.64757.60531.1081.0018.606
ATOM1254OGLY1530.77957.91530.2931.0019.878
ATOM1255NASN1541.60358.00032.3731.0020.997
ATOM1256CAASN1540.56058.81532.9591.0020.366
ATOM1257CBASN1540.51258.55634.4781.0026.776
ATOM1258CGASN154−0.80057.92834.8971.0040.916
ATOM1259OD1ASN154−1.70058.58035.4411.0046.678
ATOM1260ND2ASN154−0.92756.63934.6331.0040.247
ATOM1261CASN1540.87960.30032.8171.0022.516
ATOM1262OASN1541.97360.68533.2721.0022.158
ATOM1263NILE155−0.01861.06732.2021.0019.407
ATOM1264CAILE1550.19862.51432.1391.0022.276
ATOM1265CBILE1550.21063.11630.7311.0026.296
ATOM1266CG2ILE1550.32764.64030.8311.0023.316
ATOM1267CG1ILE1551.36762.54429.8991.0028.166
ATOM1268CD1ILE1551.37162.87428.4341.0029.426
ATOM1269CILE155−0.97463.08932.9411.0027.676
ATOM1270OILE155−2.11262.72632.6391.0024.108
ATOM1271NGLY156−0.73263.83834.0201.0033.107
ATOM1272CAGLY156−1.94264.28534.7801.0037.626
ATOM1273CGLY156−2.44763.05335.5271.0038.806
ATOM1274OGLY156−1.65962.51236.2991.0043.918
ATOM1275NTYR157−3.65562.57335.3071.0041.477
ATOM1276CATYR157−4.18261.35735.8941.0043.656
ATOM1277CBTYR157−5.38161.64236.8321.0051.516
ATOM1278CGTYR157−5.02062.59237.9611.0057.426
ATOM1279CD1TYR157−5.52363.88537.9821.0060.456
ATOM1280CE1TYR157−5.17964.76538.9921.0062.576
ATOM1281CD2TYR157−4.14062.20438.9631.0061.006
ATOM1282CE2TYR157−3.78863.07939.9821.0063.036
ATOM1283CZTYR157−4.31364.35339.9861.0063.566
ATOM1284OHTYR157−3.97965.23740.9841.0066.688
ATOM1285CTYR157−4.67660.35134.8491.0041.966
ATOM1286OTYR157−5.44559.42035.1151.0041.338
ATOM1287NTHR158−4.29860.54733.5941.0036.777
ATOM1288CATHR158−4.72259.69332.4961.0030.716
ATOM1289CBTHR158−5.26060.59731.3641.0030.826
ATOM1290OG1THR158−6.23761.47131.9421.0030.478
ATOM1291CG2THR158−5.85159.81930.2071.0029.216
ATOM1292CTHR158−3.53258.94431.9121.0025.666
ATOM1293OTHR158−2.52159.60931.6421.0024.508
ATOM1294NLEU159−3.68957.66431.6091.0021.007
ATOM1295CALEU159−2.61756.92430.9601.0021.016
ATOM1296CBLEU159−2.73755.43531.2841.0026.536
ATOM1297CGLEU159−1.60154.48730.9581.0027.156
ATOM1298CD1LEU159−0.32354.81731.7131.0025.156
ATOM1299CD2LEU159−1.97953.03631.3161.0028.756
ATOM1300CLEU159−2.65457.17929.4611.0022.046
ATOM1301OLEU159−3.71157.24828.8441.0022.648
ATOM1302NPHE160−1.48457.39628.8551.0020.797
ATOM1303CAPHE160−1.43057.57627.4091.0019.106
ATOM1304CBPHE160−0.82158.94627.0601.0020.916
ATOM1305CGPHE160−1.84860.03427.2161.0019.506
ATOM1306CD1PHE160−1.97160.67628.4421.0024.866
ATOM1307CD2PHE160−2.64560.40926.1561.0021.036
ATOM1308CE1PHE160−2.90361.70928.5881.0029.446
ATOM1309CE2PHE160−3.58261.42126.2961.0019.896
ATOM1310CZPHE160−3.70462.07427.5291.0025.346
ATOM1311CPHE160−0.52156.51326.7941.0017.366
ATOM1312OPHE1600.34655.98227.5041.0018.368
ATOM1313NSER161−0.75356.24025.5211.0017.607
ATOM1314CASER1610.08755.30224.7851.0014.636
ATOM1315CBSER161−0.74454.15024.1881.0020.146
ATOM1316OGSER1610.11553.05423.9011.0021.558
ATOM1317CSER1610.66256.03723.5611.0018.966
ATOM1318OSER161−0.10156.75322.8941.0019.798
ATOM1319NSER1621.92155.79623.2321.0016.197
ATOM1320CASER1622.51856.40422.0491.0016.746
ATOM1321CBSER1624.02956.67822.2331.0016.786
ATOM1322OGSER1624.80155.53021.9001.0021.008
ATOM1323CSER1622.32255.48520.8451.0018.246
ATOM1324OSER1621.94954.30520.9871.0016.858
ATOM1325NLYS1632.53556.02719.6521.0017.967
ATOM1326CALYS1632.48455.20318.4451.0017.366
ATOM1327CBLYS1632.36955.95717.1331.0020.946
ATOM1328CGLYS1631.22856.88516.9021.0025.346
ATOM1329CDLYS163−0.12856.27116.6851.0029.026
ATOM1330CELYS163−0.95457.13115.7211.0042.356
ATOM1331NZLYS163−0.49558.55815.6921.0038.147
ATOM1332CLYS1633.82154.46618.3911.0017.276
ATOM1333OLYS1634.81754.90618.9781.0016.548
ATOM1334NPRO1643.84053.34817.6961.0018.397
ATOM1335CDPRO1642.70252.74316.9521.0020.796
ATOM1336CAPRO1645.06052.57217.5461.0019.846
ATOM1337CBPRO1644.54551.17717.1421.0017.336
ATOM1338CGPRO1643.25451.41616.4751.0021.766
ATOM1339CPRO1646.03253.16916.5281.0019.626
ATOM1340OPRO1645.72353.94215.6191.0019.468
ATOM1341NVAL1657.29552.83316.6741.0017.227
ATOM1342CAVAL1658.42753.16215.8411.0020.366
ATOM1343CBVAL1659.40554.19016.4501.0020.846
ATOM1344CG1VAL16510.41854.64315.4041.0020.466
ATOM1345CG2VAL1658.69955.47516.8991.0023.726
ATOM1346CVAL1659.17351.83315.5901.0022.056
ATOM1347OVAL1659.53251.09416.4991.0022.108
ATOM1348NTHR1669.44451.54914.3201.0024.937
ATOM1349CATHR16610.11150.31713.9391.0026.076
ATOM1350CBTHR1669.63149.78412.5791.0031.666
ATOM1351OG1THR1669.73750.81111.5691.0038.398
ATOM1352CG2THR1668.18049.35312.6941.0023.716
ATOM1353CTHR16611.61150.59713.9091.0025.066
ATOM1354OTHR16611.98551.53613.2441.0021.888
ATOM1355NILE16712.36249.87814.7141.0021.407
ATOM1356CAILE16713.78449.90714.9091.0025.066
ATOM1357CBILE16714.08850.16416.4241.0026.216
ATOM1358CG2ILE16715.58850.15916.6731.0026.686
ATOM1359CG1ILE16713.41551.47216.8251.0026.566
ATOM1360CD1ILE16713.94652.31817.9391.0030.836
ATOM1361CILE16714.41648.57214.5011.0024.366
ATOM1362OILE16714.01347.48214.9201.0023.368
ATOM1363NTHR16815.41248.59113.6301.0022.837
ATOM1364CATHR16816.08347.40513.1521.0027.276
ATOM1365CBTHR16815.94547.26611.6221.0031.886
ATOM1366OG1THR16814.56547.37111.2771.0032.118
ATOM1367CG2THR16816.46245.89411.1791.0034.546
ATOM1368CTHR16817.57547.41413.5011.0028.536
ATOM1369OTHR16818.19048.48313.5081.0032.648
ATOM1370NVAL16918.09046.26013.8631.0023.557
ATOM1371CAVAL16919.47246.01114.1631.0027.276
ATOM1372CBVAL16919.72845.35915.5231.0028.516
ATOM1373CG1VAL16921.22745.13315.7571.0026.426
ATOM1374CG2VAL16919.18946.16016.6961.0027.976
ATOM1375CVAL16920.01145.02213.0981.0032.656
ATOM1376OVAL16919.33244.05612.7101.0033.218
ATOM1377NGLN17021.24545.19612.6890.0133.857
ATOM1378CAGLN17021.96644.39011.7370.0135.756
ATOM1379CBGLN17023.33544.02712.3620.0136.486
ATOM1380CGGLN17024.46544.01211.3470.0137.546
ATOM1381CDGLN17025.47845.11011.5990.0137.916
ATOM1382OE1GLN17025.14246.18612.0960.0138.178
ATOM1383NE2GLN17026.73544.84611.2570.0138.217
ATOM1384CGLN17021.35543.08811.2410.0136.706
ATOM1385OGLN17021.04942.16711.9950.0136.818
ATOM1386NVAL17121.27342.9599.9190.0137.517
ATOM1387CAVAL17120.78141.7729.2400.0138.206
ATOM1388CBVAL17119.48341.2089.8420.0138.616
ATOM1389CG1VAL17118.33442.1999.6810.0138.886
ATOM1390CG2VAL17119.11539.8819.1800.0138.836
ATOM1391CVAL17120.58742.0487.7500.0138.426
ATOM1392OVAL17121.42041.5736.9490.0138.538
ATOM1393OW0WAT20113.95868.10619.9301.0018.368
ATOM1394OW0WAT20213.65341.24123.3201.0024.598
ATOM1395OW0WAT2035.89557.41018.9651.0014.148
ATOM1396OW0WAT2049.51972.68830.5141.0042.118
ATOM1397OW0WAT2058.70064.45428.3551.0021.658
ATOM1398OW0WAT20625.54865.6647.8981.0024.888
ATOM1399OW0WAT2072.90252.47131.8971.0019.138
ATOM1400OW0WAT20814.30345.25623.6761.0024.288
ATOM1401OW0WAT20910.37162.55229.0761.0027.738
ATOM1402OW0WAT21012.43366.62921.5051.0014.048
ATOM1403OW0WAT2115.41747.49921.0021.0016.898
ATOM1404OW0WAT21229.59982.79711.5951.0034.628
ATOM1405OW0WAT21317.81370.1872.6481.0016.348
ATOM1406OW0WAT2146.65658.31516.4131.0024.318
ATOM1407OW0WAT21521.19180.1465.3351.0030.058
ATOM1408OW0WAT21615.62166.76618.3191.0018.828
ATOM1409OW0WAT2176.52856.41014.4601.0026.688
ATOM1410OW0WAT2186.21369.72322.7921.0019.898
ATOM1411OW0WAT21912.93567.87424.1091.0029.958
ATOM1412OW0WAT220−2.27762.23620.9531.0028.348
ATOM1413OW0WAT22120.15171.3440.1831.0021.628
ATOM1414OW0WAT22227.77365.2036.2951.0020.748
ATOM1415OW0WAT223−0.48158.86419.8111.0024.678
ATOM1416OW0WAT22417.81567.9141.1201.0026.998
ATOM1417OW0WAT22516.60464.76125.5231.0018.458
ATOM1418OW0WAT226−0.33059.58022.5161.0029.018
ATOM1419OW0WAT22713.32440.95517.1291.0040.988
ATOM1420OW0WAT2289.21441.38022.4501.0041.918
ATOM1421OW0WAT22920.14682.27013.8501.0050.038
ATOM1422OW0WAT23021.70780.35312.3251.0018.468
ATOM1423OW0WAT23115.40367.16725.5991.0021.448
ATOM1424OW0WAT23212.70363.25830.1741.0037.288
ATOM1425OW0WAT23312.47961.40039.2501.0023.788
ATOM1426OW0WAT23413.92159.4609.1061.0040.498
ATOM1427OW0WAT2357.23072.38124.4321.0041.818
ATOM1428OW0WAT2362.98958.68119.3441.0017.298
ATOM1429OW0WAT23712.86575.03610.1801.0047.198
ATOM1430OW0WAT2382.75467.99113.2591.0035.758
ATOM1431OW0WAT23917.41657.60826.6411.0032.098
ATOM1432OW0WAT24031.06875.57910.8881.0020.858
ATOM1433OW0WAT24117.72571.98521.2611.0025.438
ATOM1434OW0WAT24232.76065.2516.0791.0038.048
ATOM1435OW0WAT24314.07972.37325.2181.0020.238
ATOM1436OW0WAT24416.64477.936−2.3151.0034.008
ATOM1437OW0WAT2451.79062.64335.5181.0030.638
ATOM1438OW0WAT24610.02676.84013.6391.0031.108
ATOM1439OW0WAT24711.09640.53824.5991.0033.258
ATOM1440OW0WAT24819.45773.016−2.9701.0036.888
ATOM1441OW0WAT24918.57860.10826.7561.0030.868
ATOM1442OW0WAT25011.11978.67516.1901.0037.838
ATOM1443OW0WAT2512.58376.68728.0321.0073.188
ATOM1444OW0WAT2520.24375.15322.8031.0034.158
ATOM1445OW0WAT25333.32882.16510.2551.0023.178
ATOM1446OW0WAT25422.21287.0815.0801.0051.418
ATOM1447OW0WAT25521.39383.92111.6801.0031.478
ATOM1448OW0WAT25637.17472.3824.3491.0036.668
ATOM1449OW0WAT25723.29153.95013.9811.0045.028
ATOM1450OW0WAT25831.52180.1345.4041.0028.198
ATOM1451OW0WAT25911.90478.1698.2091.0061.398
ATOM1452OW0WAT2607.39336.16024.6681.0045.968
ATOM1453OW0WAT26112.35670.95423.7271.0023.778
ATOM1454OW0WAT26233.89869.0787.3531.0032.968
ATOM1455OW0WAT26328.50252.76425.4781.0058.408
ATOM1456OW0WAT26423.41437.81018.4271.0035.168
ATOM1457OW0WAT2654.79274.63116.7781.0044.498
ATOM1458OW0WAT26628.50977.721−1.6201.0050.518
ATOM1459OW0WAT26719.68568.488−0.7121.0045.748
ATOM1460OW0WAT26810.89974.48723.6201.0043.618
ATOM1461OW0WAT269−1.03373.72020.1281.0034.528
ATOM1462OW0WAT27015.21567.3970.0771.0027.358
ATOM1463OW0WAT2718.74879.98916.5081.0051.598
ATOM1464OW0WAT27222.33282.3143.7071.0030.258
ATOM1465OW0WAT27323.37370.77117.6101.0022.448
ATOM1466OW0WAT27411.96567.87226.3591.0026.928
ATOM1467OW0WAT27535.79371.1467.1981.0027.198
ATOM1468OW0WAT27610.33372.53025.8671.0046.788
ATOM1469OW0WAT27717.23069.18524.8521.0026.228
ATOM1470OW0WAT27817.59451.43230.8301.0032.588
ATOM1471OW0WAT2798.56167.70332.8841.0037.048
ATOM1472OW0WAT28016.37471.765−4.1951.0031.458
ATOM1473OW0WAT2818.99570.32924.9461.0036.648
ATOM1474OW0WAT28219.01947.05128.6761.0048.068
ATOM1475OW0WAT28320.03961.35015.7421.0023.238
ATOM1476OW0WAT28421.30855.30920.6581.0028.248
ATOM1477OW0WAT2857.40570.0195.2611.0041.478
ATOM1478OW0WAT28623.72966.0660.6321.0030.278
ATOM1479OW0WAT28715.82640.09523.9461.0041.948
ATOM1480OW0WAT288−0.11950.37124.8120.5025.938
ATOM1481OW0WAT2893.39754.87942.2451.0029.878
ATOM1482OW0WAT29010.21553.15132.2701.0043.338
ATOM1483OW0WAT2918.44065.10933.8831.0034.098
ATOM1CBALA401−36.64532.040−4.7021.0051.376
ATOM2CALA401−36.19932.572−2.2851.0042.226
ATOM3OALA401−36.80133.374−1.5691.0042.708
ATOM4NALA401−34.36732.745−3.9971.0045.747
ATOM5CAALA401−35.82932.874−3.7241.0043.686
ATOM6NPRO402−35.90331.367−1.8171.0040.547
ATOM7CDPRO402−35.14930.320−2.5331.0038.916
ATOM8CAPRO402−36.17231.022−0.4251.0038.616
ATOM9CBPRO402−35.76529.566−0.3221.0039.866
ATOM10CGPRO402−34.79029.353−1.4261.0041.366
ATOM11CPRO402−35.29431.9350.4341.0036.706
ATOM12OPRO402−34.18832.212−0.0421.0032.468
ATOM13NPRO403−35.78932.3701.5791.0033.827
ATOM14CDPRO403−37.12032.0092.1101.0035.166
ATOM15CAPRO403−35.06933.2292.4911.0038.256
ATOM16CBPRO403−35.87233.2273.7991.0037.396
ATOM17CGPRO403−37.18032.5993.4861.0037.416
ATOM18CPRO403−33.65332.7302.7901.0037.486
ATOM19OPRO403−33.39331.5312.6831.0034.398
ATOM20NLYS404−32.76333.6543.1731.0037.047
ATOM21CALYS404−31.39933.1883.4241.0034.976
ATOM22CBLYS404−30.31834.2023.1221.0043.986
ATOM23CGLYS404−30.56435.6753.2781.0047.646
ATOM24CDLYS404−29.77536.5172.2921.0052.036
ATOM25CELYS404−28.31736.1232.1371.0057.566
ATOM26NZLYS404−27.72436.6130.8551.0056.407
ATOM27CLYS404−31.24332.6324.8251.0031.446
ATOM28OLYS404−31.84633.0975.7841.0029.918
ATOM29NALA405−30.41631.5864.9081.0028.757
ATOM30CAALA405−30.03931.0536.2181.0027.216
ATOM31CBALA405−29.15529.8346.1101.0021.946
ATOM32CALA405−29.27832.1836.9231.0026.426
ATOM33OALA405−28.76033.0726.2221.0026.108
ATOM34NVAL406−29.23132.1928.2411.0024.917
ATOM35CAVAL406−28.51533.2348.9851.0026.956
ATOM36CBVAL406−29.49034.1289.7701.0029.366
ATOM37CG1VAL406−28.77935.14010.6761.0029.866
ATOM38CG2VAL406−30.43434.8428.8011.0026.746
ATOM39CVAL406−27.50332.6139.9421.0028.936
ATOM40OVAL406−27.84631.87210.8661.0031.468
ATOM41NLEU407−26.23332.9379.7581.0030.087
ATOM42CALEU407−25.10532.48310.5461.0029.336
ATOM43CBLEU407−23.83932.5209.6571.0033.186
ATOM44CGLEU407−22.82831.4089.9601.0034.946
ATOM45CD1LEU407−22.08230.9908.7211.0027.556
ATOM46CD2LEU407−21.88731.86411.0691.0032.306
ATOM47CLEU407−24.81633.30111.7941.0029.576
ATOM48OLEU407−24.65334.51511.8001.0030.048
ATOM49NLYS408−24.76832.62412.9301.0028.047
ATOM50CALYS408−24.56833.17414.2571.0025.126
ATOM51CBLYS408−25.73832.68715.1321.0033.326
ATOM52CGLYS408−25.77733.25516.5321.0039.376
ATOM53CDLYS408−25.96732.26817.6521.0043.846
ATOM54CELYS408−27.12931.30517.4871.0047.786
ATOM55NZLYS408−27.52530.69118.7931.0048.987
ATOM56CLYS408−23.23332.67414.7971.0024.536
ATOM57OLYS408−22.93431.48214.7391.0025.358
ATOM58NLEU409−22.42333.55615.3331.0024.787
ATOM59CALEU409−21.08033.31315.8431.0022.076
ATOM60CBLEU409−20.18934.38315.1901.0020.046
ATOM61CGLEU409−18.72534.50315.5961.0020.576
ATOM62CD1LEU409−17.98033.24215.2141.0019.576
ATOM63CD2LEU409−18.08435.72914.9031.0023.446
ATOM64CLEU409−21.01933.45117.3461.0021.016
ATOM65OLEU409−21.42434.47317.8691.0022.388
ATOM66NGLU410−20.58332.45618.1181.0022.537
ATOM67CAGLU410−20.48032.58119.5671.0021.026
ATOM68CBGLU410−21.52331.68420.2701.0027.366
ATOM69CGAGLU410−22.97132.08820.0900.5028.216
ATOM70CGBGLU410−22.94632.20920.1950.5038.296
ATOM71CDAGLU410−24.04731.07720.4220.5028.556
ATOM72CDBGLU410−23.10033.66420.5870.5043.486
ATOM73OE1GLU410−25.13131.50120.9070.5026.568
ATOM74OE1GLU410−22.44334.09521.5650.5047.248
ATOM75OE2GLU410−23.88829.85820.1860.5022.108
ATOM76OE2GLU410−23.87134.38019.9080.5046.428
ATOM77CGLU410−19.09632.13820.0081.0019.766
ATOM78OGLU410−18.70131.02419.6131.0018.008
ATOM79NPRO411−18.42332.87120.8881.0019.077
ATOM80CDPRO411−17.05832.52621.3901.0018.716
ATOM81CAPRO411−18.83434.20421.3191.0018.846
ATOM82CBPRO411−17.80734.59422.3651.0017.386
ATOM83CGPRO411−16.56033.86621.9441.0018.866
ATOM84CPRO411−18.78735.10820.0901.0020.016
ATOM85OPRO411−18.31034.65419.0511.0016.228
ATOM86NPRO412−19.23236.34920.1551.0019.947
ATOM87CDPRO412−19.91536.91821.3611.0021.086
ATOM88CAPRO412−19.40937.16618.9761.0020.686
ATOM89CBPRO412−20.45538.21019.3971.0019.826
ATOM90CGPRO412−20.29238.29920.8721.0023.596
ATOM91CPRO412−18.17937.80518.3951.0018.706
ATOM92OPRO412−18.26838.39117.3181.0019.858
ATOM93NTRP413−17.03937.69719.0591.0015.647
ATOM94CATRP413−15.81538.29818.5611.0017.916
ATOM95CBTRP413−14.68838.02619.5621.0014.326
ATOM96CGTRP413−15.12438.11721.0061.0016.776
ATOM97CD2TRP413−15.63339.25421.7031.0016.906
ATOM98CE2TRP413−15.89938.86123.0321.0016.876
ATOM99CE3TRP413−15.86740.58721.3501.0018.036
ATOM100CD1TRP413−15.10637.09721.9161.0018.976
ATOM101NE1TRP413−15.58937.52323.1371.0011.167
ATOM102CZ2TRP413−16.40539.74223.9731.0015.926
ATOM103CZ3TRP413−16.35841.45722.3011.0010.596
ATOM104CH2TRP413−16.64541.04123.6111.0017.876
ATOM105CTRP413−15.42137.83317.1631.0019.476
ATOM106OTRP413−15.28336.62816.9081.0017.228
ATOM107NILE414−15.10138.78816.2751.0016.577
ATOM108CAILE414−14.66638.42514.9361.0018.936
ATOM109CBILE414−15.18539.34313.8161.0016.076
ATOM110CG2ILE414−16.72039.34513.8401.0016.616
ATOM111CG1ILE414−14.58240.74713.9721.0021.356
ATOM112CD1ILE414−15.04541.71612.8961.0026.286
ATOM113CILE414−13.14438.31714.8251.0020.486
ATOM114OILE414−12.65237.81813.8171.0019.418
ATOM115NASN415−12.40338.77915.8361.0019.467
ATOM116CAASN415−10.93538.59615.7781.0018.116
ATOM117CBASN415−10.16139.90415.7311.0013.536
ATOM118CGASN415−10.59140.92016.7621.0019.116
ATOM119OD1ASN415−11.72840.90717.2271.0013.358
ATOM120ND2ASN415−9.68841.83317.1421.0010.117
ATOM121CASN415−10.63237.74217.0051.0017.546
ATOM122OASN415−11.01638.13118.1111.0015.328
ATOM123NVAL416−10.12236.53516.8051.0016.867
ATOM124CAVAL416−9.87135.59317.8931.0015.776
ATOM125CBVAL416−10.76134.33217.7481.0016.546
ATOM126CG1VAL416−12.25134.72517.7331.0013.426
ATOM127CG2VAL416−10.49033.52116.4911.0018.046
ATOM128CVAL416−8.42035.15817.9211.0019.016
ATOM129OVAL416−7.61835.48517.0101.0017.128
ATOM130NLEU417−8.02234.44418.9641.0017.687
ATOM131CALEU417−6.66433.90419.0681.0015.116
ATOM132CBLEU417−6.16234.14020.5221.0020.266
ATOM133CGLEU417−5.87335.61520.8231.0023.076
ATOM134CD1LEU417−5.44735.85322.2531.0017.706
ATOM135CD2LEU417−4.83236.15219.8551.0026.746
ATOM136CLEU417−6.56332.42718.7321.0016.376
ATOM137OLEU417−7.51831.67918.9611.0018.248
ATOM138NGLN418−5.42431.93518.2271.0018.557
ATOM139CAGLN418−5.23730.49618.0321.0019.136
ATOM140CBGLN418−3.79030.14517.6961.0031.656
ATOM141CGGLN418−3.51029.61716.3141.0037.326
ATOM142CDGLN418−2.12029.96415.8001.0036.926
ATOM143OE1GLN418−1.95330.83414.9431.0030.978
ATOM144NE2GLN418−1.13529.24816.3331.0031.737
ATOM145CGLN418−5.56129.78919.3481.0019.436
ATOM146OGLN418−5.19430.29820.4131.0018.108
ATOM147NGLU419−6.31728.70219.2321.0019.687
ATOM148CAGLU419−6.72727.82120.2931.0018.886
ATOM149CBGLU419−5.59727.52521.2931.0027.396
ATOM150CGGLU419−4.64926.44820.7141.0030.126
ATOM151CDGLU419−3.55826.16721.7201.0041.876
ATOM152OE1GLU419−3.85725.53622.7581.0048.838
ATOM153OE2GLU419−2.42126.59421.4641.0046.618
ATOM154CGLU419−8.00428.24420.9981.0021.466
ATOM155OGLU419−8.49627.46121.8151.0026.398
ATOM156NASP420−8.60629.36020.6191.0019.917
ATOM157CAASP420−9.89829.77221.1141.0020.766
ATOM158CBASP420−10.28531.21720.7261.0013.476
ATOM159CGASP420−9.58732.28821.5261.0013.936
ATOM160OD1ASP420−8.87332.06122.5341.0017.578
ATOM161OD2ASP420−9.72333.46121.1041.0013.798
ATOM162CASP420−11.00228.91620.4511.0019.586
ATOM163OASP420−10.91328.64719.2621.0017.498
ATOM164NSER421−12.07128.66821.1741.0017.227
ATOM165CASER421−13.23327.93720.6591.0017.626
ATOM166CBASER421−14.01127.34121.8440.5017.496
ATOM167CBBSER421−13.98127.31021.8460.5013.146
ATOM168OGASER421−14.90026.35021.3550.5022.958
ATOM169OGBSER421−13.17526.28722.4160.506.858
ATOM170CSER421−14.18128.82819.8731.0018.616
ATOM171OSER421−14.42429.98220.2651.0021.418
ATOM172NVAL422−14.63828.35418.7211.0015.807
ATOM173CAVAL422−15.58529.13317.9101.0017.936
ATOM174CBVAL422−15.05229.63216.5601.0020.376
ATOM175CG1VAL422−16.09330.46515.8041.0017.776
ATOM176CG2VAL422−13.85830.56616.6791.0017.266
ATOM177CVAL422−16.82228.25717.6651.0019.206
ATOM178OVAL422−16.63327.09717.2911.0018.528
ATOM179NTHR423−18.02128.75917.9171.0016.327
ATOM180CATHR423−19.24928.04317.6481.0019.996
ATOM181CBTHR423−20.08027.73818.9111.0022.976
ATOM182OG1THR423−19.19227.11719.8501.0018.428
ATOM183CG2THR423−21.24126.80918.6141.0016.786
ATOM184CTHR423−20.09828.85016.6581.0024.686
ATOM185OTHR423−20.50929.98616.8971.0022.598
ATOM186NLEU424−20.25728.24815.4671.0023.737
ATOM187CALEU424−21.08128.81514.4231.0023.116
ATOM188CBLEU424−20.42728.66013.0461.0020.256
ATOM189CGLEU424−19.05329.38612.9591.0023.956
ATOM190CD1LEU424−18.32429.01011.6811.0020.786
ATOM191CD2LEU424−19.25130.88113.0491.0022.746
ATOM192CLEU424−22.44428.10314.4501.0025.876
ATOM193OLEU424−22.47026.85814.5371.0024.578
ATOM194NTHR425−23.52028.88614.3671.0020.227
ATOM195CATHR425−24.84728.26614.3361.0023.216
ATOM196CBTHR425−25.65628.60115.5971.0027.696
ATOM197OG1THR425−24.94528.13616.7551.0026.308
ATOM198CG2THR425−27.04127.94115.5901.0028.496
ATOM199CTHR425−25.60428.70013.0751.0022.316
ATOM200OTHR425−25.70629.91512.8191.0023.868
ATOM201NCYS426−26.09227.73212.3071.0018.687
ATOM202CACYS426−26.83227.97811.0751.0023.206
ATOM203CCYS426−28.34527.95611.3461.0023.066
ATOM204OCYS426−28.95726.88611.5561.0023.768
ATOM205CBCYS426−26.50926.9859.9581.0017.926
ATOM206SGCYS426−27.13827.5088.3111.0022.2516
ATOM207NGLN427−28.92929.13711.3551.0019.357
ATOM208CAGLN427−30.33229.34511.6581.0023.306
ATOM209CBGLN427−30.54330.65712.4641.0029.786
ATOM210CGGLN427−29.62330.82213.6721.0031.506
ATOM211CDGLN427−29.92732.03814.5181.0033.016
ATOM212OE1GLN427−30.32233.09214.0321.0038.678
ATOM213NE2GLN427−29.79231.97115.8341.0036.367
ATOM214CGLN427−31.16929.44910.3771.0026.336
ATOM215OGLN427−30.76430.0109.3471.0023.158
ATOM216NGLY428−32.36328.84710.4381.0027.697
ATOM217CAGLY428−33.28928.8479.3131.0028.026
ATOM218CGLY428−34.02227.5069.2151.0029.416
ATOM219OGLY428−33.63926.5319.8621.0028.468
ATOM220NALA429−35.06227.4458.3891.0027.487
ATOM221CAALA429−35.82426.2268.2101.0027.396
ATOM222CBALA429−36.97926.5137.2391.0025.916
ATOM223CALA429−34.95925.1367.5741.0028.276
ATOM224OALA429−34.31525.4516.5611.0026.078
ATOM225NARG430−35.06023.9158.0641.0023.977
ATOM226CAARG430−34.30322.8117.4901.0027.176
ATOM227CBARG430−33.57122.0438.6011.0030.346
ATOM228CGARG430−32.57422.7769.4601.0034.056
ATOM229CDARG430−32.36521.98610.7611.0033.866
ATOM230NEARG430−32.40722.96411.8361.0038.607
ATOM231CZARG430−32.48722.78413.1261.0038.086
ATOM232NH1ARG430−32.56721.56813.6351.0036.517
ATOM233NH2ARG430−32.46723.87613.8791.0046.137
ATOM234CARG430−35.19421.7186.8801.0026.706
ATOM235OARG430−36.39921.7247.0751.0029.228
ATOM236NSER431−34.57320.7376.2461.0026.857
ATOM237CASER431−35.31519.5825.7381.0026.566
ATOM238CBSER431−34.68219.0204.4761.0025.036
ATOM239OGSER431−34.56219.9913.4771.0027.598
ATOM240CSER431−35.27318.5456.8611.0026.586
ATOM241OSER431−34.39618.6207.7391.0023.918
ATOM242NPRO432−36.16317.5586.8391.0023.487
ATOM243CDPRO432−37.22417.3835.8421.0022.706
ATOM244CAPRO432−36.17616.5167.8611.0024.756
ATOM245CBPRO432−37.62116.0367.8051.0024.346
ATOM246CGPRO432−38.09516.2956.4141.0023.776
ATOM247CPRO432−35.17215.4177.5491.0029.236
ATOM248OPRO432−35.47214.2577.2231.0028.288
ATOM249NGLU433−33.91315.7457.7091.0029.777
ATOM250CAGLU433−32.72514.9707.4171.0033.376
ATOM251CBAGLU433−32.17715.4406.0730.5035.186
ATOM252CBBGLU433−32.12315.4096.0840.5031.986
ATOM253CGAGLU433−30.79516.0375.9520.5039.406
ATOM254CGBGLU433−31.77616.8765.9540.5034.056
ATOM255CDAGLU433−30.39416.3414.5210.5046.486
ATOM256CDBGLU433−31.60117.3334.5170.5034.676
ATOM257OE1GLU433−29.26816.0104.0760.5049.238
ATOM258OE1GLU433−32.19416.6983.6190.5032.818
ATOM259OE2GLU433−31.23216.9143.7880.5047.508
ATOM260OE2GLU433−30.87718.3244.2750.5024.648
ATOM261CGLU433−31.68315.1778.5191.0032.616
ATOM262OGLU433−31.61216.2669.0851.0028.728
ATOM263NSER434−30.84414.1848.7431.0032.157
ATOM264CASER434−29.80414.2759.7641.0032.726
ATOM265CBSER434−29.27712.85310.0371.0034.266
ATOM266OGSER434−28.32012.93511.0931.0045.888
ATOM267CSER434−28.66815.1929.3321.0030.936
ATOM268OSER434−28.15615.98310.1241.0028.878
ATOM269NASP435−28.22215.0938.0821.0028.027
ATOM270CAASP435−27.16716.0087.5991.0028.626
ATOM271CBASP435−26.29215.3286.5851.0029.656
ATOM272CGASP435−25.35714.2277.0571.0037.436
ATOM273OD1ASP435−25.02714.0978.2581.0033.538
ATOM274OD2ASP435−24.90213.4706.1541.0036.018
ATOM275CASP435−27.88217.2236.9731.0027.086
ATOM276OASP435−27.99717.3005.7561.0028.078
ATOM277NSER436−28.46118.1187.7741.0025.557
ATOM278CASER436−29.28219.1867.2251.0027.456
ATOM279CBSER436−30.44019.4358.2131.0034.876
ATOM280OGSER436−29.97320.0649.4051.0039.518
ATOM281CSER436−28.55820.4846.8901.0027.146
ATOM282OSER436−29.14321.4456.3631.0025.678
ATOM283NILE437−27.29320.6437.2311.0024.647
ATOM284CAILE437−26.58021.8936.9771.0024.336
ATOM285CBILE437−26.16422.5598.3091.0030.716
ATOM286CG2ILE437−25.56123.9358.0321.0026.946
ATOM287CG1ILE437−27.33322.6459.3081.0021.666
ATOM288CD1ILE437−28.44323.5888.8671.0027.666
ATOM289CILE437−25.33621.7076.1281.0024.086
ATOM290OILE437−24.51520.8336.3901.0023.508
ATOM291NGLN438−25.12222.5525.1271.0024.527
ATOM292CAGLN438−23.86222.5704.3991.0023.136
ATOM293CBGLN438−24.01622.7982.9051.0029.286
ATOM294CGGLN438−24.45821.5702.1231.0029.866
ATOM295CDGLN438−24.69221.9010.6611.0033.486
ATOM296OE1GLN438−25.54022.7440.3231.0028.348
ATOM297NE2GLN438−23.92221.198−0.1771.0038.547
ATOM298CGLN438−23.04823.7384.9851.0023.816
ATOM299OGLN438−23.59824.8445.0871.0022.628
ATOM300NTRP439−21.80723.4805.3711.0021.437
ATOM301CATRP439−20.98724.5625.9051.0021.736
ATOM302CBTRP439−20.34524.2337.2571.0021.016
ATOM303CGTRP439−21.26424.2338.4301.0017.586
ATOM304CD2TRP439−21.72125.3439.2121.0017.006
ATOM305CE2TRP439−22.56924.83310.2201.0016.716
ATOM306CE3TRP439−21.49526.7199.1581.0021.476
ATOM307CD1TRP439−21.84423.1168.9741.0019.926
ATOM308NE1TRP439−22.62623.46610.0611.0022.187
ATOM309CZ2TRP439−23.21825.64611.1521.0018.296
ATOM310CZ3TRP439−22.10927.53710.0911.0021.626
ATOM311CH2TRP439−22.96026.99211.0641.0020.156
ATOM312CTRP439−19.89024.8734.8981.0022.766
ATOM313OTRP439−19.40723.9414.2381.0023.428
ATOM314NPHE440−19.53326.1654.7581.0022.917
ATOM315CAPHE440−18.51226.4773.7541.0026.866
ATOM316CBPHE440−19.12127.1442.5131.0024.166
ATOM317CGPHE440−20.22526.4371.7881.0023.966
ATOM318CD1PHE440−21.55126.5862.1891.0023.616
ATOM319CD2PHE440−19.94525.6220.6961.0022.476
ATOM320CE1PHE440−22.56425.9471.5041.0020.836
ATOM321CE2PHE440−20.96724.9860.0201.0021.696
ATOM322CZPHE440−22.26725.1260.4321.0021.866
ATOM323CPHE440−17.46627.4314.3491.0023.516
ATOM324OPHE440−17.83828.2785.1511.0021.948
ATOM325NHIS441−16.23227.2913.9051.0021.597
ATOM326CAHIS441−15.10728.0954.3661.0024.076
ATOM327CBHIS441−14.03227.2945.0991.0018.726
ATOM328CGHIS441−12.86428.1395.5481.0023.416
ATOM329CD2HIS441−12.79429.4515.8991.0021.856
ATOM330ND1HIS441−11.58827.6485.7091.0021.977
ATOM331CE1HIS441−10.78928.6076.1351.0022.796
ATOM332NE2HIS441−11.50429.7056.2681.0021.877
ATOM333CHIS441−14.45528.7033.1151.0021.836
ATOM334OHIS441−13.97227.9472.2821.0021.378
ATOM335NASN442−14.57630.0192.9591.0022.087
ATOM336CAASN442−14.07730.6701.7261.0020.466
ATOM337CBASN442−12.56230.5441.7221.0018.216
ATOM338CGASN442−11.92531.4692.7611.0022.746
ATOM339OD1ASN442−12.47332.5233.0871.0024.408
ATOM340ND2ASN442−10.80431.0623.3411.0018.437
ATOM341CASN442−14.73330.0550.4881.0021.326
ATOM342OASN442−14.08529.819−0.5331.0020.138
ATOM343NGLY443−16.00229.6460.5681.0020.537
ATOM344CAGLY443−16.76729.005−0.4801.0020.836
ATOM345CGLY443−16.58627.506−0.6611.0024.516
ATOM346OGLY443−17.20926.879−1.5501.0025.308
ATOM347NASN444−15.63326.8960.0511.0021.277
ATOM348CAASN444−15.39125.473−0.1121.0020.466
ATOM349CBASN444−13.90325.1320.0001.0023.826
ATOM350CGASN444−13.04926.032−0.8911.0022.266
ATOM351OD1ASN444−12.14826.722−0.4091.0025.478
ATOM352ND2ASN444−13.38226.079−2.1711.0021.597
ATOM353CASN444−16.20824.7230.9371.0019.786
ATOM354OASN444−16.18025.0882.1071.0022.078
ATOM355NLEU445−16.90723.6780.5231.0022.227
ATOM356CALEU445−17.73022.9041.4591.0021.676
ATOM357CBLEU445−18.39121.7250.7151.0028.156
ATOM358CGLEU445−19.15920.6951.5381.0029.146
ATOM359CD1LEU445−20.47921.2952.0021.0025.076
ATOM360CD2LEU445−19.45219.4000.7751.0028.516
ATOM361CLEU445−16.82522.3072.5251.0022.276
ATOM362OLEU445−15.74821.8692.1181.0020.138
ATOM363NILE446−17.26322.2623.7661.0020.117
ATOM364CAILE446−16.53921.5444.8351.0024.646
ATOM365CBILE446−16.65722.3586.1321.0022.246
ATOM366CG2ILE446−16.00721.7327.3581.0021.336
ATOM367CG1ILE446−16.11123.7945.9451.0020.746
ATOM368CD1ILE446−16.66424.7197.0241.0020.486
ATOM369CILE446−17.35120.2415.0061.0025.536
ATOM370OILE446−18.41920.2665.6241.0022.918
ATOM371NPRO447−16.93719.1194.4441.0030.567
ATOM372CDPRO447−15.70418.9823.6201.0032.616
ATOM373CAPRO447−17.73117.8984.4341.0030.936
ATOM374CBPRO447−17.03017.0303.3631.0031.286
ATOM375CGPRO447−15.61017.4663.4411.0032.546
ATOM376CPRO447−17.88817.1045.7061.0028.326
ATOM377OPRO447−18.73316.1965.7471.0029.248
ATOM378NTHR448−17.09217.3536.7301.0026.797
ATOM379CATHR448−17.13516.5687.9711.0026.976
ATOM380CBTHR448−15.69816.5438.5321.0031.786
ATOM381OG1THR448−15.24117.9088.5201.0031.458
ATOM382CG2THR448−14.79815.7167.6051.0027.406
ATOM383CTHR448−18.07517.1099.0211.0026.316
ATOM384OTHR448−18.20616.53210.1131.0028.008
ATOM385NHIS449−18.69818.2648.7721.0024.447
ATOM386CAHIS449−19.61218.9249.7071.0024.196
ATOM387CBHIS449−18.95320.25610.1741.0025.116
ATOM388CGHIS449−17.72219.92710.9611.0022.206
ATOM389CD2HIS449−16.43019.75710.6241.0027.866
ATOM390ND1HIS449−17.80919.64112.3061.0029.807
ATOM391CE1HIS449−16.59519.34012.7621.0028.916
ATOM392NE2HIS449−15.74819.39211.7611.0025.357
ATOM393CHIS449−20.92319.2789.0411.0023.086
ATOM394OHIS449−20.94220.0618.0751.0020.578
ATOM395NTHR450−22.03818.7049.4971.0025.117
ATOM396CATHR450−23.32118.8928.8071.0022.986
ATOM397CBTHR450−23.73217.5528.1371.0023.016
ATOM398OG1THR450−23.84316.6149.2311.0018.668
ATOM399CG2THR450−22.75717.0497.1011.0019.076
ATOM400CTHR450−24.46019.2219.7661.0024.616
ATOM401OTHR450−25.64019.0949.3931.0026.178
ATOM402NGLN451−24.12619.59210.9851.0024.527
ATOM403CAGLN451−25.13219.88711.9951.0027.316
ATOM404CBGLN451−24.70819.36113.3781.0028.636
ATOM405CGGLN451−24.43817.85213.3781.0032.816
ATOM406CDGLN451−25.67717.05612.9951.0038.536
ATOM407OE1GLN451−26.60616.91413.8021.0037.608
ATOM408NE2GLN451−25.72416.53511.7651.0032.797
ATOM409CGLN451−25.41121.37912.1011.0026.696
ATOM410OGLN451−24.62622.23011.6891.0026.278
ATOM411NPRO452−26.51021.72812.7691.0025.167
ATOM412CDPRO452−27.55320.77513.2701.0024.546
ATOM413CAPRO452−26.91723.10312.9741.0025.246
ATOM414CBPRO452−28.26422.97813.7081.0026.096
ATOM415CGPRO452−28.80421.64913.2571.0023.356
ATOM416CPRO452−25.90023.95113.7221.0025.716
ATOM417OPRO452−25.87725.17913.5421.0021.618
ATOM418NSER453−25.04423.36914.5561.0024.057
ATOM419CASER453−23.99124.09315.2391.0025.636
ATOM420CBSER453−24.10524.15516.7581.0031.866
ATOM421OGSER453−24.77825.37117.0941.0042.468
ATOM422CSER453−22.68123.40614.8541.0024.856
ATOM423OSER453−22.68122.19314.6911.0023.688
ATOM424NTYR454−21.65824.17714.6141.0024.527
ATOM425CATYR454−20.33323.69914.2121.0026.296
ATOM426CBTYR454−20.05023.98012.7291.0026.926
ATOM427CGTYR454−18.61223.86812.2741.0030.156
ATOM428CD1TYR454−17.71922.96112.8251.0029.186
ATOM429CE1TYR454−16.40722.86012.4091.0031.266
ATOM430CD2TYR454−18.10424.70011.2801.0031.676
ATOM431CE2TYR454−16.79624.64910.8551.0031.666
ATOM432CZTYR454−15.95023.71511.4291.0033.636
ATOM433OHTYR454−14.62423.64711.0381.0034.538
ATOM434CTYR454−19.37824.41615.1671.0024.846
ATOM435OTYR454−19.30025.65615.1291.0022.538
ATOM436NARG455−18.77323.68516.0701.0021.667
ATOM437CAARG455−17.86424.21617.0701.0023.606
ATOM438CBARG455−18.24223.70918.4801.0025.956
ATOM439CGARG455−17.47824.52619.5511.0023.986
ATOM440CDARG455−17.65123.88420.9181.0035.386
ATOM441NEARG455−16.82124.50121.9561.0027.477
ATOM442CZARG455−17.27825.33622.8791.0033.106
ATOM443NH1ARG455−18.57025.65722.9041.0030.007
ATOM444NH2ARG455−16.41825.81723.7781.0032.667
ATOM445CARG455−16.43423.76316.8021.0027.496
ATOM446OARG455−16.27522.55416.5691.0022.628
ATOM447NPHE456−15.45524.69216.7811.0023.787
ATOM448CAPHE456−14.09224.23016.5101.0021.926
ATOM449CBPHE456−13.71624.37115.0361.0025.996
ATOM450CGPHE456−13.81925.73514.3861.0020.846
ATOM451CD1PHE456−15.01926.21313.8971.0021.336
ATOM452CD2PHE456−12.70526.54714.2641.0020.316
ATOM453CE1PHE456−15.10327.45113.2831.0021.526
ATOM454CE2PHE456−12.76827.78913.6801.0018.366
ATOM455CZPHE456−13.97328.25013.1591.0018.386
ATOM456CPHE456−13.09525.00417.3721.0023.936
ATOM457OPHE456−13.45426.03317.9211.0022.428
ATOM458NLYS457−11.86524.52617.4231.0022.467
ATOM459CALYS457−10.73525.20718.0541.0024.346
ATOM460CBALYS457−9.89224.24618.8810.5028.516
ATOM461CBBLYS457−9.82224.13918.6690.5022.876
ATOM462CGALYS457−10.65623.56820.0100.5033.646
ATOM463CGBLYS457−8.76924.65819.6320.5024.296
ATOM464CDALYS457−11.43624.52420.8920.5040.756
ATOM465CDBLYS457−8.63123.68020.7980.5026.906
ATOM466CEALYS457−12.61223.87621.6030.5043.076
ATOM467CEBLYS457−9.13824.26222.0920.5029.796
ATOM468NZALYS457−12.70324.23623.0440.5051.717
ATOM469NZBLYS457−8.05024.60123.0600.5036.227
ATOM470CLYS457−9.95025.94316.9691.0021.306
ATOM471OLYS457−9.43625.31516.0521.0019.468
ATOM472NALA458−9.92827.27816.9451.0018.237
ATOM473CAALA458−9.34128.00215.8211.0015.746
ATOM474CBALA458−9.61229.50516.0941.009.096
ATOM475CALA458−7.84127.83215.6141.0020.266
ATOM476OALA458−7.06727.80216.5741.0018.048
ATOM477NASN459−7.39227.74014.3671.0018.317
ATOM478CAASN459−5.98627.79514.0191.0023.046
ATOM479CBASN459−5.22226.56513.6121.0032.396
ATOM480CGASN459−5.88025.22313.6651.0038.266
ATOM481OD1ASN459−5.85524.58714.7161.0042.508
ATOM482ND2ASN459−6.42624.80012.5291.0043.397
ATOM483CASN459−5.82528.81412.8671.0024.076
ATOM484OASN459−6.79429.39012.3651.0021.258
ATOM485NASN460−4.58229.03312.4841.0024.407
ATOM486CAASN460−4.19230.04311.5191.0031.476
ATOM487CBASN460−2.68029.97311.2341.0031.466
ATOM488CGAASN460−2.27231.09010.2740.5031.266
ATOM489CGBASN460−2.22128.59410.8140.5035.726
ATOM490OD1ASN460−2.33732.28410.5970.5022.528
ATOM491OD1ASN460−2.98527.62610.7680.5033.048
ATOM492ND2ASN460−1.86330.6919.0700.5026.047
ATOM493ND2ASN460−0.93228.47510.4830.5039.477
ATOM494CASN460−5.00629.92310.2341.0029.056
ATOM495OASN460−5.64530.8809.7801.0032.278
ATOM496NASN461−5.09828.7139.7101.0030.207
ATOM497CAAASN461−5.86328.3798.5290.5028.686
ATOM498CABASN461−5.85728.4998.4770.5029.136
ATOM499CBAASN461−5.56426.9118.1500.5026.196
ATOM500CBBASN461−5.40327.1957.8060.5030.256
ATOM501CGAASN461−4.10126.7397.7920.5027.016
ATOM502CGBASN461−5.60825.9848.6780.5032.366
ATOM503OD1ASN461−3.50225.7418.1840.5028.588
ATOM504OD1ASN461−6.38326.0469.6370.5033.388
ATOM505ND2ASN461−3.52627.6947.0710.5034.397
ATOM506ND2ASN461−4.92724.8758.3840.5033.527
ATOM507CASN461−7.37128.5308.6281.0025.336
ATOM508OASN461−8.03028.3317.6171.0021.468
ATOM509NASP462−7.93228.8889.7671.0024.897
ATOM510CAASP462−9.37329.0249.9411.0021.376
ATOM511CBASP462−9.74928.58211.3721.0016.896
ATOM512CGASP462−9.62027.08411.5381.0026.206
ATOM513OD1ASP462−9.82426.31710.5701.0020.818
ATOM514OD2ASP462−9.27626.59312.6111.0017.908
ATOM515CASP462−9.88730.4279.6451.0018.696
ATOM516OASP462−11.10430.6579.6541.0020.508
ATOM517NSER463−9.01131.3899.3941.0019.817
ATOM518CASER463−9.43432.7349.0151.0019.846
ATOM519CBSER463−8.26833.7028.8111.0022.046
ATOM520OGSER463−7.50633.84810.0091.0020.028
ATOM521CSER463−10.19632.6627.6821.0023.896
ATOM522OSER463−10.01531.7066.9111.0017.928
ATOM523NGLY464−11.05633.6717.4671.0019.507
ATOM524CAGLY464−11.76933.6756.1901.0022.236
ATOM525CGLY464−13.27233.9016.3401.0019.816
ATOM526OGLY464−13.74434.3027.3991.0018.938
ATOM527NGLU465−13.98033.6405.2381.0017.017
ATOM528CAGLU465−15.42833.8535.2691.0021.396
ATOM529CBAGLU465−15.93434.3043.9010.5013.646
ATOM530CBBGLU465−15.93334.4203.9470.5023.816
ATOM531CGAGLU465−16.50735.7083.8130.5015.716
ATOM532CGBGLU465−15.40935.8073.6020.5032.156
ATOM533CDAGLU465−16.65636.1872.3810.5022.336
ATOM534CDBGLU465−15.89836.9014.5200.5040.566
ATOM535OE1GLU465−17.42835.6031.5860.5022.708
ATOM536OE1GLU465−16.57836.5955.5250.5041.838
ATOM537OE2GLU465−15.99137.1802.0140.5031.048
ATOM538OE2GLU465−15.62438.1084.2780.5046.028
ATOM539CGLU465−16.15532.5425.5931.0021.566
ATOM540OGLU465−15.75631.5415.0071.0021.418
ATOM541NTYR466−17.17232.5986.4581.0021.387
ATOM542CATYR466−17.96631.3836.6911.0017.916
ATOM543CBTYR466−17.95430.8828.1291.0017.396
ATOM544CGTYR466−16.62030.3038.5341.0018.086
ATOM545CD1TYR466−15.60531.1808.9571.0018.566
ATOM546CE1TYR466−14.36930.7199.3231.0016.486
ATOM547CD2TYR466−16.34828.9458.4851.0018.236
ATOM548CE2TYR466−15.10228.4848.8671.0018.376
ATOM549CZTYR466−14.12429.3509.2791.0018.986
ATOM550OHTYR466−12.87228.9279.6241.0014.148
ATOM551CTYR466−19.37931.6356.2121.0013.966
ATOM552OTYR466−19.92332.7316.3531.0018.148
ATOM553NTHR467−20.01030.6385.5681.0017.957
ATOM554CATHR467−21.37430.7285.1171.0018.066
ATOM555CBTHR467−21.51431.0223.5991.0022.526
ATOM556OG1THR467−20.66930.1292.8351.0016.858
ATOM557CG2THR467−21.21532.4953.3091.0017.466
ATOM558CTHR467−22.04429.3585.3841.0018.766
ATOM559OTHR467−21.35428.3515.5671.0017.478
ATOM560NCYS468−23.35429.3265.3891.0019.747
ATOM561CACYS468−24.09928.0745.5971.0023.506
ATOM562CCYS468−25.38228.1074.7581.0023.126
ATOM563OCYS468−25.79129.1544.2791.0025.078
ATOM564CBCYS468−24.43427.7847.0551.0018.706
ATOM565SGCYS468−25.67528.8817.7981.0023.4516
ATOM566NGLN469−25.97526.9464.5341.0024.477
ATOM567CAGLN469−27.17426.7453.7701.0024.996
ATOM568CBGLN469−26.90926.5222.2641.0027.226
ATOM569CGGLN469−28.15526.8091.4191.0025.146
ATOM570CDGLN469−27.85726.844−0.0651.0032.436
ATOM571OE1GLN469−26.71026.700−0.4871.0031.348
ATOM572NE2GLN469−28.89627.052−0.8741.0027.897
ATOM573CGLN469−27.90125.4834.2661.0027.606
ATOM574OGLN469−27.28924.5144.7341.0025.378
ATOM575NTHR470−29.20625.5484.1151.0028.737
ATOM576CATHR470−30.05924.4014.4391.0032.106
ATOM577CBTHR470−31.12524.7135.4911.0033.366
ATOM578OG1THR470−30.61925.5556.5531.0045.268
ATOM579CG2THR470−31.45323.4226.2101.0050.206
ATOM580CTHR470−30.73723.9763.1381.0032.776
ATOM581OTHR470−30.68024.6962.1301.0030.758
ATOM582NGLY471−31.47222.8593.1751.0031.837
ATOM583CAGLY471−32.22422.3972.0331.0027.976
ATOM584CGLY471−33.37623.3221.6901.0029.946
ATOM585OGLY471−33.93823.1980.5961.0032.378
ATOM586NGLN472−33.84224.1592.5941.0024.867
ATOM587CAGLN472−34.92025.0872.4571.0027.146
ATOM588CBGLN472−35.86824.8923.6671.0027.316
ATOM589CGGLN472−36.29123.4153.8251.0030.516
ATOM590CDGLN472−36.96122.8712.5671.0030.536
ATOM591OE1GLN472−37.98123.4252.1611.0039.958
ATOM592NE2GLN472−36.40221.8521.9441.0031.167
ATOM593CGLN472−34.53026.5612.4411.0029.606
ATOM594OGLN472−35.41927.4242.5781.0030.828
ATOM595NTHR473−33.24826.9122.3801.0025.837
ATOM596CATHR473−32.86128.3172.4261.0026.626
ATOM597CBTHR473−32.27828.7313.7921.0026.646
ATOM598OG1THR473−31.22627.8154.1381.0027.548
ATOM599CG2THR473−33.31328.7424.8971.0028.166
ATOM600CTHR473−31.82428.6431.3711.0026.316
ATOM601OTHR473−31.21027.7560.7761.0028.008
ATOM602NSER474−31.68529.9391.0741.0028.627
ATOM603CASER474−30.59230.2610.1121.0029.446
ATOM604CBSER474−31.02031.396−0.8031.0030.456
ATOM605OGSER474−31.40732.4670.0341.0041.058
ATOM606CSER474−29.36630.4710.9921.0026.656
ATOM607OSER474−29.46130.4282.2281.0025.578
ATOM608NLEU475−28.17830.5850.4421.0029.477
ATOM609CALEU475−26.91530.7031.1581.0025.106
ATOM610CBLEU475−25.74930.7250.1591.0027.836
ATOM611CGLEU475−24.34830.7300.7771.0027.246
ATOM612CD1LEU475−23.88829.3121.0941.0024.136
ATOM613CD2LEU475−23.34931.446−0.1331.0024.426
ATOM614CLEU475−26.88431.8932.0871.0025.846
ATOM615OLEU475−27.30033.0081.7111.0022.458
ATOM616NSER476−26.37631.7083.3151.0023.317
ATOM617CASER476−26.35732.8574.2191.0025.206
ATOM618CBSER476−25.91632.4645.6441.0026.646
ATOM619OGSER476−24.51432.2035.6241.0029.438
ATOM620CSER476−25.34633.9113.7381.0023.006
ATOM621OSER476−24.43133.5623.0061.0021.028
ATOM622NASP477−25.50635.1274.2411.0022.247
ATOM623CAASP477−24.49336.1544.0941.0026.036
ATOM624CBASP477−24.90737.5044.6831.0020.276
ATOM625CGASP477−25.91438.1903.7581.0025.736
ATOM626OD1ASP477−25.82137.9732.5411.0023.798
ATOM627OD2ASP477−26.76938.9124.2921.0028.928
ATOM628CASP477−23.26735.6754.9291.0025.856
ATOM629OASP477−23.42334.9625.9141.0024.008
ATOM630NPRO478−22.09836.1084.4921.0027.377
ATOM631CDPRO478−21.91736.9493.2751.0026.846
ATOM632CAPRO478−20.84935.7365.0981.0025.426
ATOM633CBPRO478−19.79536.2744.1411.0028.386
ATOM634CGPRO478−20.45337.2803.2721.0027.246
ATOM635CPRO478−20.57536.3106.4791.0025.286
ATOM636OPRO478−21.00637.4076.8201.0023.688
ATOM637NVAL479−19.83335.5357.2651.0020.247
ATOM638CAVAL479−19.28736.0058.5351.0018.866
ATOM639CBVAL479−19.85035.3509.7831.0019.496
ATOM640CG1VAL479−19.04235.62711.0461.0022.256
ATOM641CG2VAL479−21.27535.90710.0361.0021.956
ATOM642CVAL479−17.77735.8208.3991.0019.766
ATOM643OVAL479−17.28334.7368.0761.0022.348
ATOM644NHIS480−17.02436.9118.5661.0019.437
ATOM645CAHIS480−15.58436.8908.3871.0018.116
ATOM646CBHIS480−15.13038.2457.7841.0026.876
ATOM647CGHIS480−13.71238.1127.2931.0031.936
ATOM648CD2HIS480−13.19437.8836.0691.0027.056
ATOM649ND1HIS480−12.63738.1698.1761.0034.357
ATOM650CE1HIS480−11.52538.0197.4801.0034.806
ATOM651NE2HIS480−11.83137.8506.2101.0034.817
ATOM652CHIS480−14.86536.6799.7181.0023.086
ATOM653OHIS480−15.09637.37010.7091.0023.378
ATOM654NLEU481−13.95335.7289.7471.0019.187
ATOM655CALEU481−13.24435.38810.9571.0021.586
ATOM656CBLEU481−13.56733.92911.3311.0018.206
ATOM657CGLEU481−12.84733.48512.6051.0018.216
ATOM658CD1LEU481−13.49634.15813.8121.0019.396
ATOM659CD2LEU481−12.86531.95412.6961.0014.766
ATOM660CLEU481−11.74735.61110.7831.0019.366
ATOM661OLEU481−11.22535.3239.7201.0020.968
ATOM662NTHR482−11.10036.17711.7931.0019.617
ATOM663CATHR482−9.64236.40311.6801.0018.456
ATOM664CBTHR482−9.31637.91611.6831.0025.986
ATOM665OG1THR482−9.90738.51510.5271.0018.898
ATOM666CG2THR482−7.79538.09111.6661.0024.986
ATOM667CTHR482−8.97135.76612.8911.0016.026
ATOM668OTHR482−9.24836.13114.0351.0014.798
ATOM669NVAL483−8.07534.82112.6471.0016.237
ATOM670CAVAL483−7.45134.10813.7531.0016.976
ATOM671CBVAL483−7.55932.58413.5301.0012.816
ATOM672CG1VAL483−7.05131.89414.7991.0015.926
ATOM673CG2VAL483−8.98632.10613.2461.0011.786
ATOM674CVAL483−6.02034.60213.8921.0019.976
ATOM675OVAL483−5.26134.53712.9181.0018.578
ATOM676NLEU484−5.68635.11015.0751.0016.897
ATOM677CALEU484−4.37235.67815.3121.0019.896
ATOM678CBLEU484−4.62137.08015.8901.0018.156
ATOM679CGLEU484−5.49138.00315.0211.0023.406
ATOM680CD1LEU484−5.92739.17615.8681.0025.206
ATOM681CD2LEU484−4.75238.47013.7581.0020.466
ATOM682CLEU484−3.48734.85016.2281.0022.296
ATOM683OLEU484−3.92833.97516.9751.0023.908
ATOM684NPHE485−2.18935.11616.2181.0021.037
ATOM685CAPHE485−1.25434.42217.1111.0022.926
ATOM686CBPHE485−0.39933.43516.3331.0021.766
ATOM687CGPHE4850.44032.51617.1841.0027.906
ATOM688CD1PHE485−0.10331.85318.2661.0028.306
ATOM689CD2PHE4851.78732.33316.8991.0026.616
ATOM690CE1PHE4850.66430.99219.0401.0029.656
ATOM691CE2PHE4852.55931.48017.6681.0025.616
ATOM692CZPHE4851.99630.81918.7331.0028.756
ATOM693CPHE485−0.45535.46717.8521.0021.996
ATOM694OPHE4850.64235.86617.4261.0022.118
ATOM695NGLU486−1.02335.98318.9381.0020.767
ATOM696CAGLU486−0.42137.10419.7021.0018.046
ATOM697CBGLU486−1.14238.40319.2101.0020.846
ATOM698CGGLU486−0.71139.05117.9111.0025.056
ATOM699CDGLU486−1.64739.81817.0191.0041.966
ATOM700OE1GLU486−2.71940.35917.4161.0046.148
ATOM701OE2GLU486−1.42939.97315.7651.0040.778
ATOM702CGLU486−0.69436.84021.1761.0018.466
ATOM703OGLU486−1.58836.02721.4621.0016.678
ATOM704NTRP487−0.03137.45822.1561.0012.607
ATOM705CATRP487−0.32837.23523.5531.0013.016
ATOM706CBTRP4870.80837.81024.4111.0018.406
ATOM707CGTRP4871.92236.84324.6871.0021.876
ATOM708CD2TRP4871.81235.69025.5211.0021.146
ATOM709CE2TRP4873.06535.06125.5261.0024.316
ATOM710CE3TRP4870.76735.12826.2551.0024.846
ATOM711CD1TRP4873.21636.88124.2311.0022.526
ATOM712NE1TRP4873.90735.79724.7341.0022.537
ATOM713CZ2TRP4873.30333.90026.2661.0029.916
ATOM714CZ3TRP4870.99833.97626.9871.0029.836
ATOM715CH2TRP4872.25433.36726.9701.0029.096
ATOM716CTRP487−1.59937.89924.0681.0015.446
ATOM717OTRP487−2.17837.36725.0181.0016.688
ATOM718NLEU488−2.03638.99323.4471.0014.447
ATOM719CALEU488−3.15339.81523.8611.0020.076
ATOM720CBLEU488−2.59640.92424.7831.0017.496
ATOM721CGLEU488−3.60841.56325.7691.0016.976
ATOM722CD1LEU488−4.06240.56726.8301.0017.386
ATOM723CD2LEU488−2.98742.81326.3701.0013.936
ATOM724CLEU488−3.88940.46722.6771.0020.446
ATOM725OLEU488−3.25541.00921.7521.0019.658
ATOM726NVAL489−5.21840.34922.6201.0018.117
ATOM727CAVAL489−5.99840.94021.5421.0014.666
ATOM728CBAVAL489−6.68639.83720.6990.507.526
ATOM729CBBVAL489−6.67739.92520.6040.5013.866
ATOM730CG1VAL489−7.57338.97621.5970.507.136
ATOM731CG1VAL489−5.69639.45719.5430.5015.876
ATOM732CG2VAL489−7.50140.38019.5310.503.916
ATOM733CG2VAL489−7.26438.77621.4020.5018.656
ATOM734CVAL489−7.10941.83422.1071.0015.716
ATOM735OVAL489−7.68941.60423.1791.0014.528
ATOM736NLEU490−7.37942.90821.3861.0015.137
ATOM737CALEU490−8.52043.73321.7031.0013.726
ATOM738CBLEU490−8.28745.24121.4881.0017.876
ATOM739CGLEU490−9.65045.88821.8731.0026.076
ATOM740CD1LEU490−9.47946.80023.0361.0030.576
ATOM741CD2LEU490−10.37346.40320.6621.0025.076
ATOM742CLEU490−9.65743.19220.8031.0017.586
ATOM743OLEU490−9.61143.34919.5761.0014.468
ATOM744NGLN491−10.67342.56821.4121.0015.837
ATOM745CAGLN491−11.74541.95820.6231.0017.706
ATOM746CBGLN491−12.25240.62821.2641.0015.036
ATOM747CGGLN491−11.10539.63521.4721.0012.816
ATOM748CDGLN491−11.56438.23021.8681.0015.796
ATOM749OE1GLN491−12.02338.04322.9881.0014.618
ATOM750NE2GLN491−11.40937.25620.9841.0016.277
ATOM751CGLN491−12.97142.82420.3751.0017.716
ATOM752OGLN491−13.37043.57021.2681.0019.378
ATOM753NTHR492−13.60742.65919.2181.0014.057
ATOM754CATHR492−14.85343.37818.9341.0019.016
ATOM755CBTHR492−14.56244.64118.0891.0016.406
ATOM756OG1THR492−15.76945.38117.9051.0018.398
ATOM757CG2THR492−13.94344.36716.7201.0010.456
ATOM758CTHR492−15.80342.45018.1731.0018.966
ATOM759OTHR492−15.33941.59417.4091.0021.888
ATOM760NPRO493−17.09542.71318.2511.0018.787
ATOM761CDPRO493−17.74743.69719.1351.0022.166
ATOM762CAPRO493−18.09041.93717.5301.0024.376
ATOM763CBPRO493−19.35242.06318.3711.0024.996
ATOM764CGPRO493−19.16243.25719.2351.0026.056
ATOM765CPRO493−18.28542.50416.1381.0027.026
ATOM766OPRO493−18.85241.84715.2481.0027.048
ATOM767NHIS494−17.97843.79715.9601.0024.227
ATOM768CAHIS494−18.11444.44514.6511.0025.726
ATOM769CBHIS494−19.44445.17614.4391.0020.096
ATOM770CGHIS494−20.63944.27914.5951.0021.676
ATOM771CD2HIS494−21.16143.33613.7981.0023.306
ATOM772ND1HIS494−21.38044.27115.7541.0027.497
ATOM773CE1HIS494−22.33843.36515.6571.0026.546
ATOM774NE2HIS494−22.21142.78814.4821.0032.107
ATOM775CHIS494−17.03845.51614.4531.0024.496
ATOM776OHIS494−16.48146.02815.4291.0024.018
ATOM777NLEU495−16.84745.93713.2141.0021.967
ATOM778CALEU495−15.90047.01912.9601.0026.066
ATOM779CBLEU495−15.01446.74811.7411.0026.666
ATOM780CGLEU495−13.99445.61811.8991.0035.196
ATOM781CD1LEU495−13.44945.26510.5251.0025.666
ATOM782CD2LEU495−12.89545.95812.9001.0024.136
ATOM783CLEU495−16.62648.34112.7201.0026.306
ATOM784OLEU495−15.99949.40212.7901.0026.838
ATOM785NGLU496−17.88448.26512.3261.0025.447
ATOM786CAGLU496−18.68849.45312.0871.0028.556
ATOM787CBGLU496−19.06249.72210.6341.0028.976
ATOM788CGGLU496−17.97749.5329.6051.0034.466
ATOM789CDGLU496−18.41449.7578.1681.0042.076
ATOM790OE1GLU496−19.56050.1577.8821.0041.538
ATOM791OE2GLU496−17.59249.5237.2561.0045.318
ATOM792CGLU496−19.99549.29112.8851.0032.226
ATOM793OGLU496−20.52548.18013.0151.0031.688
ATOM794NPHE497−20.39650.37913.5381.0029.387
ATOM795CAPHE497−21.62250.41914.3151.0031.456
ATOM796CBPHE497−21.38850.51515.8321.0029.886
ATOM797CGPHE497−20.64049.36916.4641.0028.916
ATOM798CD1PHE497−19.25649.28616.3861.0019.886
ATOM799CD2PHE497−21.31148.36317.1311.0027.066
ATOM800CE1PHE497−18.55748.24216.9711.0023.296
ATOM801CE2PHE497−20.62247.32117.7191.0023.276
ATOM802CZPHE497−19.24447.24017.6361.0025.876
ATOM803CPHE497−22.45551.63313.8611.0031.116
ATOM804OPHE497−22.00752.53213.1641.0032.318
ATOM805NGLN498−23.72651.65314.2191.0034.147
ATOM806CAGLN498−24.63652.73513.9391.0033.316
ATOM807CBGLN498−26.04252.23713.6351.0038.156
ATOM808CGGLN498−26.20751.44412.3561.0045.656
ATOM809CDGLN498−25.76352.15411.0971.0049.996
ATOM810OE1GLN498−26.45553.03810.5891.0052.588
ATOM811NE2GLN498−24.60351.77810.5631.0053.067
ATOM812CGLN498−24.66253.64815.1721.0031.486
ATOM813OGLN498−24.45953.20216.3001.0027.988
ATOM814NGLU499−24.99054.91114.9201.0030.757
ATOM815CAGLU499−25.11255.88816.0091.0032.566
ATOM816CBGLU499−25.59857.21315.4201.0036.896
ATOM817CGGLU499−25.20458.47416.1411.0044.866
ATOM818CDGLU499−24.77159.57815.1841.0048.456
ATOM819OE1GLU499−23.80260.29315.5211.0053.908
ATOM820OE2GLU499−25.40059.71814.1181.0050.568
ATOM821CGLU499−26.13055.31516.9801.0031.146
ATOM822OGLU499−27.13654.81816.4751.0031.948
ATOM823NGLY500−25.91955.29518.2751.0032.197
ATOM824CAGLY500−26.87454.74319.2171.0031.106
ATOM825CGLY500−26.64353.32519.6961.0031.516
ATOM826OGLY500−27.08252.93520.7891.0030.308
ATOM827NGLU501−25.94852.49718.9211.0034.417
ATOM828CAGLU501−25.67551.12019.2971.0034.076
ATOM829CBGLU501−24.94950.41418.1481.0037.866
ATOM830CGGLU501−25.77750.19016.8891.0048.386
ATOM831CDGLU501−24.98449.34615.8951.0049.176
ATOM832OE1GLU501−24.25148.45816.3851.0058.518
ATOM833OE2GLU501−25.04649.53314.6691.0048.568
ATOM834CGLU501−24.78351.01820.5371.0033.066
ATOM835OGLU501−24.08651.97820.8861.0027.708
ATOM836NTHR502−24.74749.80921.1071.0031.927
ATOM837CATHR502−23.87049.56322.2481.0032.856
ATOM838CBTHR502−24.50848.70523.3411.0035.756
ATOM839OG1THR502−25.54649.42824.0211.0036.798
ATOM840CG2THR502−23.53248.28924.4411.0035.826
ATOM841CTHR502−22.58248.92221.7211.0032.546
ATOM842OTHR502−22.65047.93420.9911.0030.038
ATOM843NILE503−21.43149.53722.0141.0028.537
ATOM844CAILE503−20.16248.92721.5901.0025.406
ATOM845CBILE503−19.13149.99321.1631.0026.586
ATOM846CG2ILE503−17.77649.37020.8281.0025.476
ATOM847CG1ILE503−19.66950.78619.9711.0021.796
ATOM848CD1ILE503−18.73951.86319.4381.0019.736
ATOM849CILE503−19.62448.11322.7671.0025.276
ATOM850OILE503−19.43948.68523.8531.0023.068
ATOM851NMET504−19.44346.80722.5911.0024.907
ATOM852CAMET504−18.89345.95323.6391.0021.556
ATOM853CBMET504−19.79744.76923.9631.0033.486
ATOM854CGMET504−20.81045.04025.1011.0029.686
ATOM855SDMET504−21.94043.61025.2421.0046.0216
ATOM856CEMET504−22.66743.65023.5891.0031.106
ATOM857CMET504−17.52845.41023.2151.0021.276
ATOM858OMET504−17.37444.87522.1061.0022.968
ATOM859NLEU505−16.50345.62424.0271.0020.557
ATOM860CALEU505−15.13445.19823.7281.0022.336
ATOM861CBLEU505−14.19246.41623.5501.0014.666
ATOM862CGLEU505−14.71347.47722.5611.0018.896
ATOM863CD1LEU505−13.79648.68822.4891.0019.446
ATOM864CD2LEU505−14.88246.81021.1861.0018.706
ATOM865CLEU505−14.56744.30724.8171.0020.156
ATOM866OLEU505−15.05044.36025.9501.0018.398
ATOM867NARG506−13.52343.54224.4831.0018.257
ATOM868CAARG506−12.91242.69225.5161.0017.876
ATOM869CBARG506−13.60741.31325.5081.0014.966
ATOM870CGARG506−12.83440.26926.2901.0016.796
ATOM871CDARG506−13.69939.07826.7571.0019.516
ATOM872NEARG506−13.33437.93926.0251.0023.467
ATOM873CZARG506−12.99036.69226.0651.0024.436
ATOM874NH1ARG506−12.92335.97427.1761.0025.937
ATOM875NH2ARG506−12.69736.07124.9361.0018.727
ATOM876CARG506−11.42242.54525.3041.0018.566
ATOM877OARG506−10.99842.38724.1421.0020.438
ATOM878NCYS507−10.64242.62026.3781.0015.237
ATOM879CACYS507−9.18942.44726.2921.0014.896
ATOM880CCYS507−8.93440.97526.5831.0015.286
ATOM881OCYS507−9.29640.57227.6901.0015.968
ATOM882CBCYS507−8.43843.30127.3221.0014.556
ATOM883SGCYS507−6.69143.49827.0131.0013.9116
ATOM884NHIS508−8.44640.21325.6041.0015.077
ATOM885CAHIS508−8.33438.76325.8111.0011.916
ATOM886CBHIS508−9.19038.10924.7081.0016.036
ATOM887CGHIS508−9.11936.62624.5721.0016.946
ATOM888CD2HIS508−9.06835.84323.4621.0017.646
ATOM889ND1HIS508−9.10335.75825.6571.0017.417
ATOM890CE1HIS508−9.03434.51625.2151.0017.376
ATOM891NE2HIS508−9.02134.53323.8951.0020.007
ATOM892CHIS508−6.92538.21925.7331.0011.836
ATOM893OHIS508−6.22438.50524.7621.0012.548
ATOM894NSER509−6.51537.36426.6541.0013.707
ATOM895CASER509−5.16036.77526.6051.0011.706
ATOM896CBSER509−4.58336.73228.0411.0013.476
ATOM897OGSER509−5.60936.02128.8001.0016.168
ATOM898CSER509−5.19035.40725.9701.0014.216
ATOM899OSER509−6.18034.63425.9031.0014.638
ATOM900NTRP510−4.04735.06225.3811.0016.587
ATOM901CATRP510−3.86033.76424.7081.0016.046
ATOM902CBTRP510−2.48033.70824.0721.0018.736
ATOM903CGTRP510−2.18732.44123.3061.0021.246
ATOM904CD2TRP510−1.13531.52723.5891.0020.706
ATOM905CE2TRP510−1.19330.50522.6161.0025.926
ATOM906CE3TRP510−0.11231.49424.5491.0024.166
ATOM907CD1TRP510−2.82731.95822.2141.0022.226
ATOM908NE1TRP510−2.23330.79721.7651.0022.817
ATOM909CZ2TRP510−0.27629.46222.5681.0024.186
ATOM910CZ3TRP5100.78130.43224.5091.0030.156
ATOM911CH2TRP5100.69829.43323.5261.0031.046
ATOM912CTRP510−4.08232.62125.6811.0014.446
ATOM913OTRP510−3.66532.64726.8521.0017.088
ATOM914NLYS511−4.92831.66725.2941.0019.427
ATOM915CALYS511−5.34730.54126.1151.0019.406
ATOM916CBLYS511−4.13129.62526.4181.0021.006
ATOM917CGLYS511−3.58328.96225.1551.0024.946
ATOM918CDLYS511−2.12428.57925.3371.0034.176
ATOM919CELYS511−1.95227.14725.7811.0037.496
ATOM920NZLYS511−2.78326.19824.9871.0052.667
ATOM921CLYS511−5.94030.94527.4501.0020.336
ATOM922OLYS511−5.90530.17228.4191.0016.808
ATOM923NASP512−6.44432.17127.6021.0018.287
ATOM924CAASP512−6.98932.63328.8611.0020.316
ATOM925CBASP512−8.24231.77829.1911.0024.526
ATOM926CGASP512−9.30632.12928.1551.0031.396
ATOM927OD1ASP512−9.70033.32128.1191.0039.688
ATOM928OD2ASP512−9.71931.27827.3601.0035.008
ATOM929CASP512−6.01532.66330.0181.0023.406
ATOM930OASP512−6.42632.39131.1481.0023.428
ATOM931NLYS513−4.73132.97729.7851.0023.107
ATOM932CALYS513−3.79233.14530.8911.0022.356
ATOM933CBLYS513−2.35233.43430.4371.0021.686
ATOM934CGLYS513−1.75832.25529.6591.0027.096
ATOM935CDLYS513−0.23232.29229.6081.0028.346
ATOM936CELYS5130.26931.08628.8161.0032.926
ATOM937NZLYS5130.19629.79129.5541.0033.557
ATOM938CLYS513−4.35234.26931.7481.0019.866
ATOM939OLYS513−4.89035.26331.2641.0021.458
ATOM940NPRO514−4.28834.10533.0661.0020.087
ATOM941CDPRO514−3.70132.93833.7681.0016.956
ATOM942CAPRO514−4.92335.06533.9571.0017.006
ATOM943CBPRO514−4.54834.57435.3421.0019.226
ATOM944CGPRO514−4.16933.13335.1761.0021.346
ATOM945CPRO514−4.45136.46133.6361.0016.836
ATOM946OPRO514−3.23736.74133.5121.0016.018
ATOM947NLEU515−5.41437.38333.5601.0015.957
ATOM948CALEU515−5.08138.76233.2151.0017.106
ATOM949CBLEU515−5.76938.98731.8561.0016.836
ATOM950CGLEU515−5.79040.36831.2311.0021.646
ATOM951CD1LEU515−4.39940.73430.7331.0019.246
ATOM952CD2LEU515−6.77740.38030.0431.0019.806
ATOM953CLEU515−5.60639.75034.2261.0021.136
ATOM954OLEU515−6.78839.66634.5691.0018.848
ATOM955NVAL516−4.83940.76134.6301.0020.517
ATOM956CAVAL516−5.31441.79335.5451.0020.406
ATOM957CBVAL516−4.78741.58936.9711.0018.726
ATOM958CG1VAL516−5.31340.31937.6441.0022.676
ATOM959CG2VAL516−3.25741.53836.9981.0022.126
ATOM960CVAL516−4.80743.16335.0731.0019.736
ATOM961OVAL516−3.91043.18434.2231.0020.768
ATOM962NLYS517−5.26844.25135.6931.0017.347
ATOM963CALYS517−4.76045.57635.3811.0020.336
ATOM964CBLYS517−3.27145.68435.8021.0021.746
ATOM965CGLYS517−3.11545.93937.3011.0024.436
ATOM966CDLYS517−1.79345.42137.8321.0032.696
ATOM967CELYS517−0.79846.55238.0561.0040.276
ATOM968NZLYS5170.56846.00138.2661.0044.067
ATOM969CLYS517−4.95645.93033.9141.0018.586
ATOM970OLYS517−4.02646.33133.2341.0024.358
ATOM971NVAL518−6.18145.80333.4171.0020.457
ATOM972CAVAL518−6.54246.06832.0391.0019.156
ATOM973CBVAL518−7.75645.22331.6071.0012.176
ATOM974CG1VAL518−8.19945.47030.1761.0018.946
ATOM975CG2VAL518−7.40843.73731.7941.0016.756
ATOM976CVAL518−6.86847.53631.7971.0018.586
ATOM977OVAL518−7.60648.14932.5641.0017.168
ATOM978NTHR519−6.30748.06330.7111.0015.947
ATOM979CATHR519−6.52749.44130.3351.0016.506
ATOM980CBTHR519−5.29150.34330.3671.0019.596
ATOM981OG1THR519−4.77050.45631.6931.0023.118
ATOM982CG2THR519−5.69551.74329.8721.0024.836
ATOM983CTHR519−7.05349.44228.8811.0017.816
ATOM984OTHR519−6.43648.73628.0951.0014.368
ATOM985NPHE520−8.12150.18728.6431.0014.867
ATOM986CAPHE520−8.61650.25827.2591.0013.856
ATOM987CBPHE520−10.12250.06927.2401.0015.516
ATOM988CGPHE520−10.55348.63627.4631.0013.386
ATOM989CD1PHE520−10.74848.16528.7501.0020.156
ATOM990CD2PHE520−10.79247.81526.3811.0020.086
ATOM991CE1PHE520−11.18646.86428.9531.0017.146
ATOM992CE2PHE520−11.23046.49926.5781.0022.126
ATOM993CZPHE520−11.42346.04827.8671.0017.106
ATOM994CPHE520−8.27951.65026.7211.0017.136
ATOM995OPHE520−8.64052.64527.4071.0014.788
ATOM996NPHE521−7.62651.70025.5751.0016.207
ATOM997CAPHE521−7.27752.99825.0111.0018.836
ATOM998CBPHE521−5.79953.04524.6161.0013.506
ATOM999CGPHE521−4.76852.81425.6561.0018.606
ATOM1000CD1PHE521−4.36851.52726.0171.0017.376
ATOM1001CD2PHE521−4.20853.90526.3341.0018.446
ATOM1002CE1PHE521−3.40951.34227.0061.0019.786
ATOM1003CE2PHE521−3.26053.69327.3131.0022.696
ATOM1004CZPHE521−2.84352.42127.6601.0015.746
ATOM1005CPHE521−8.07453.32723.7491.0018.446
ATOM1006OPHE521−8.35152.41222.9871.0015.638
ATOM1007NGLN522−8.33354.61323.4801.0019.357
ATOM1008CAGLN522−8.95954.98622.2031.0019.906
ATOM1009CBGLN522−10.39655.48722.3171.0016.326
ATOM1010CGGLN522−10.78456.28321.0651.0018.396
ATOM1011CDGLN522−12.05057.10221.2471.0021.986
ATOM1012OE1GLN522−12.42357.40522.3741.0019.188
ATOM1013NE2GLN522−12.70057.47020.1531.0024.517
ATOM1014CGLN522−8.06756.09221.6091.0015.346
ATOM1015OGLN522−7.78957.03422.3211.0017.308
ATOM1016NASN523−7.47455.93520.4391.0018.987
ATOM1017CAASN523−6.54256.89119.8591.0022.956
ATOM1018CBASN523−7.24158.15819.3321.0019.576
ATOM1019CGASN523−8.22857.73618.2441.0026.316
ATOM1020OD1ASN523−8.01356.81317.4411.0019.768
ATOM1021ND2ASN523−9.37558.40318.2131.0028.577
ATOM1022CASN523−5.39757.22320.8031.0021.026
ATOM1023OASN523−4.91158.34120.9181.0019.198
ATOM1024NGLY524−4.95156.23421.5791.0019.777
ATOM1025CAGLY524−3.85256.35022.4951.0016.416
ATOM1026CGLY524−4.15956.98123.8441.0014.856
ATOM1027OGLY524−3.21057.20824.6111.0015.058
ATOM1028NLYS525−5.40557.25624.1331.0013.817
ATOM1029CALYS525−5.83057.86925.3791.0021.186
ATOM1030CBLYS525−6.70059.12825.2471.0014.856
ATOM1031CGLYS525−6.93459.83426.5591.0016.286
ATOM1032CDLYS525−7.40661.27926.2811.0022.516
ATOM1033CELYS525−7.92561.87727.5871.0030.626
ATOM1034NZLYS525−8.82263.04827.3301.0036.727
ATOM1035CLYS525−6.72556.85226.1211.0018.206
ATOM1036OLYS525−7.64856.34125.5091.0019.988
ATOM1037NSER526−6.38556.65027.3931.0017.627
ATOM1038CASER526−7.10755.62528.1551.0020.036
ATOM1039CBSER526−6.35555.40729.4851.0023.226
ATOM1040OGSER526−7.31755.09330.4661.0038.128
ATOM1041CSER526−8.54156.04328.3891.0017.856
ATOM1042OSER526−8.84257.20928.6471.0021.318
ATOM1043NGLN527−9.49055.14828.2541.0017.167
ATOM1044CAGLN527−10.89855.35128.4081.0017.456
ATOM1045CBGLN527−11.72354.79327.2251.0020.826
ATOM1046CGGLN527−11.35255.44725.8971.0018.566
ATOM1047CDGLN527−11.49756.95425.9271.0024.446
ATOM1048OE1GLN527−12.60657.45026.1161.0031.628
ATOM1049NE2GLN527−10.43657.73625.7731.0019.157
ATOM1050CGLN527−11.38654.61529.6611.0020.946
ATOM1051OGLN527−12.43954.93730.1791.0018.258
ATOM1052NLYS528−10.64353.58130.0321.0021.187
ATOM1053CALYS528−11.07052.81831.2161.0023.106
ATOM1054CBLYS528−12.17751.83230.8421.0021.836
ATOM1055CGLYS528−12.68350.98432.0131.0024.676
ATOM1056CDLYS528−13.73949.96131.5891.0018.236
ATOM1057CELYS528−14.04849.12032.8701.0027.026
ATOM1058NZLYS528−15.08148.07232.5741.0024.247
ATOM1059CLYS528−9.88452.02231.7541.0024.936
ATOM1060OLYS528−9.19351.38530.9601.0020.798
ATOM1061NPHE529−9.67852.04433.0621.0021.397
ATOM1062CAPHE529−8.70851.17133.6951.0024.456
ATOM1063CBPHE529−7.61051.94034.4581.0025.506
ATOM1064CGPHE529−6.77251.02935.3271.0025.516
ATOM1065CD1PHE529−5.79950.23634.7621.0019.406
ATOM1066CD2PHE529−7.00250.93836.7001.0029.986
ATOM1067CE1PHE529−5.02649.37535.5351.0025.006
ATOM1068CE2PHE529−6.24950.07837.4911.0028.846
ATOM1069CZPHE529−5.26249.29236.9021.0032.296
ATOM1070CPHE529−9.48050.28934.6871.0027.886
ATOM1071OPHE529−10.38850.81735.3591.0030.998
ATOM1072NSER530−9.13449.02034.8531.0026.677
ATOM1073CASER530−9.77948.22535.9171.0024.986
ATOM1074CBSER530−11.02547.52235.4221.0021.296
ATOM1075OGSER530−11.27146.40136.2501.0025.728
ATOM1076CSER530−8.77747.19936.4341.0024.396
ATOM1077OSER530−8.12346.58135.5761.0024.918
ATOM1078NHIS531−8.66846.97737.7301.0022.127
ATOM1079CAHIS531−7.71045.96538.2041.0023.656
ATOM1080CBHIS531−7.60445.94839.7371.0028.356
ATOM1081CGHIS531−6.85947.16040.1971.0023.576
ATOM1082CD2HIS531−7.30748.35740.6421.0018.556
ATOM1083ND1HIS531−5.47847.20040.1701.0026.697
ATOM1084CE1HIS531−5.09548.38840.6171.0016.656
ATOM1085NE2HIS531−6.17349.10240.8901.0023.947
ATOM1086CHIS531−8.10844.55237.8141.0023.896
ATOM1087OHIS531−7.26143.66137.7121.0026.218
ATOM1088NLEU532−9.42644.31837.6891.0021.777
ATOM1089CALEU532−9.88642.96637.4801.0020.706
ATOM1090CBLEU532−10.63042.50538.7601.0030.286
ATOM1091CGLEU532−10.02242.78240.1481.0026.566
ATOM1092CD1LEU532−11.07342.55041.2291.0029.076
ATOM1093CD2LEU532−8.81441.88640.4351.0024.996
ATOM1094CLEU532−10.76242.72236.2791.0022.946
ATOM1095OLEU532−10.79441.54035.9001.0022.018
ATOM1096NASP533−11.54143.68535.7781.0021.757
ATOM1097CAASP533−12.46943.46534.6791.0024.626
ATOM1098CBASP533−13.56044.53934.8541.0029.716
ATOM1099CGASP533−14.73444.54533.9151.0032.906
ATOM1100OD1ASP533−14.83743.61233.0831.0032.918
ATOM1101OD2ASP533−15.59745.47234.0001.0036.018
ATOM1102CASP533−11.84343.63633.2961.0025.886
ATOM1103OASP533−11.41944.73032.9401.0024.368
ATOM1104NPRO534−11.85742.60532.4601.0024.657
ATOM1105CDPRO534−12.34741.24632.7781.0022.976
ATOM1106CAPRO534−11.29342.68131.1121.0024.006
ATOM1107CBPRO534−10.88941.20430.8701.0024.026
ATOM1108CGPRO534−11.98740.43331.5441.0023.046
ATOM1109CPRO534−12.25643.10230.0171.0022.116
ATOM1110OPRO534−11.97042.93628.8241.0019.008
ATOM1111NTHR535−13.42043.65430.3501.0021.437
ATOM1112CATHR535−14.42444.06129.4011.0024.986
ATOM1113CBTHR535−15.74843.28229.5931.0027.246
ATOM1114OG1THR535−16.33143.80130.7961.0024.998
ATOM1115CG2THR535−15.46141.79729.7061.0026.076
ATOM1116CTHR535−14.74745.55429.4511.0023.586
ATOM1117OTHR535−14.44546.23730.4231.0026.148
ATOM1118NPHE536−15.26746.07628.3471.0020.637
ATOM1119CAPHE536−15.54947.47528.1501.0020.106
ATOM1120CBPHE536−14.34348.16027.5231.0025.476
ATOM1121CGPHE536−14.40849.61627.1701.0025.616
ATOM1122CD1PHE536−14.52850.59628.1211.0027.006
ATOM1123CD2PHE536−14.33250.01925.8411.0027.456
ATOM1124CE1PHE536−14.57151.93727.7871.0032.626
ATOM1125CE2PHE536−14.38551.35025.4901.0028.466
ATOM1126CZPHE536−14.49352.31726.4631.0030.416
ATOM1127CPHE536−16.79647.66927.2971.0024.006
ATOM1128OPHE536−16.95247.06526.2301.0024.508
ATOM1129NSER537−17.66548.57227.7301.0021.977
ATOM1130CASER537−18.91448.85627.0501.0026.526
ATOM1131CBSER537−20.12048.44827.9081.0030.036
ATOM1132OGSER537−20.76947.30727.4121.0044.198
ATOM1133CSER537−19.12850.35926.8401.0027.386
ATOM1134OSER537−18.91151.17227.7211.0027.338
ATOM1135NILE538−19.65450.70225.6861.0025.867
ATOM1136CAILE538−20.00452.06025.3431.0029.466
ATOM1137CBILE538−19.18952.69024.1931.0033.386
ATOM1138CG2ILE538−19.66954.11823.9411.0027.236
ATOM1139CG1ILE538−17.67952.66924.4721.0030.556
ATOM1140CD1ILE538−16.81752.71123.2231.0029.536
ATOM1141CILE538−21.47751.99124.9261.0029.886
ATOM1142OILE538−21.76851.48923.8491.0027.998
ATOM1143NPRO539−22.34552.39025.8371.0031.717
ATOM1144CDPRO539−22.01852.92827.1841.0032.736
ATOM1145CAPRO539−23.77652.46825.5981.0033.856
ATOM1146CBPRO539−24.38052.65326.9831.0036.136
ATOM1147CGPRO539−23.24852.48227.9501.0034.996
ATOM1148CPRO539−24.03053.70624.7411.0035.636
ATOM1149OPRO539−23.32454.70624.8881.0038.228
ATOM1150NGLN540−24.97453.65823.8271.0036.977
ATOM1151CAGLN540−25.28854.75622.9351.0035.176
ATOM1152CBGLN540−26.22355.74223.6311.0043.876
ATOM1153CGGLN540−27.51855.06424.0881.0049.776
ATOM1154CDGLN540−27.88355.58425.4681.0056.216
ATOM1155OE1GLN540−28.14556.78225.5931.0057.448
ATOM1156NE2GLN540−27.88354.70526.4681.0057.257
ATOM1157CGLN540−24.06055.44822.3621.0034.616
ATOM1158OGLN540−23.67756.58222.6931.0033.348
ATOM1159NALA541−23.47354.75521.3911.0029.807
ATOM1160CAALA541−22.28755.23220.6941.0030.026
ATOM1161CBALA541−21.77854.12119.7741.0027.896
ATOM1162CALA541−22.56156.46619.8321.0029.526
ATOM1163OALA541−23.65056.59619.2631.0029.608
ATOM1164NASN542−21.52857.28419.6651.0030.607
ATOM1165CAASN542−21.64258.43118.7381.0031.556
ATOM1166CBASN542−21.98559.72719.4531.0030.396
ATOM1167CGASN542−21.01260.11720.5341.0031.636
ATOM1168OD1ASN542−19.83860.44320.2681.0027.578
ATOM1169ND2ASN542−21.47960.12721.7811.0033.237
ATOM1170CASN542−20.35758.54517.9361.0032.336
ATOM1171OASN542−19.45357.69818.1221.0029.098
ATOM1172NHIS543−20.22359.60917.1341.0029.407
ATOM1173CAHIS543−19.07559.78016.2661.0028.826
ATOM1174CBHIS543−19.26260.97115.2721.0024.516
ATOM1175CGHIS543−20.36060.63214.2951.0031.726
ATOM1176CD2HIS543−20.70459.44613.7401.0033.886
ATOM1177ND1HIS543−21.27861.53813.8221.0032.867
ATOM1178CE1HIS543−22.11760.93913.0081.0031.846
ATOM1179NE2HIS543−21.79459.66412.9411.0031.487
ATOM1180CHIS543−17.74760.00916.9761.0026.626
ATOM1181OHIS543−16.69659.76816.3661.0025.968
ATOM1182NSER544−17.81260.45418.2211.0020.857
ATOM1183CASER544−16.55760.73818.9411.0024.826
ATOM1184CBSER544−16.83961.88719.9151.0030.286
ATOM1185OGSER544−17.73961.47720.9301.0039.118
ATOM1186CSER544−15.97659.44319.4741.0024.896
ATOM1187OSER544−14.77559.34819.7551.0025.228
ATOM1188NHIS545−16.74658.34419.4631.0020.337
ATOM1189CAHIS545−16.30657.00519.8111.0019.386
ATOM1190CBHIS545−17.47456.10420.3021.0019.406
ATOM1191CGHIS545−18.14556.65421.5341.0018.376
ATOM1192CD2HIS545−17.62056.98022.7441.0018.226
ATOM1193ND1HIS545−19.49356.90121.6271.0023.557
ATOM1194CE1HIS545−19.76857.37422.8291.0026.336
ATOM1195NE2HIS545−18.64357.45423.5251.0021.057
ATOM1196CHIS545−15.58956.31318.6571.0022.056
ATOM1197OHIS545−15.01355.23018.8481.0021.868
ATOM1198NSER546−15.56956.86917.4401.0020.667
ATOM1199CASER546−14.83356.21716.3631.0019.966
ATOM1200CBSER546−15.07556.85714.9861.0020.486
ATOM1201OGSER546−16.44256.71214.6131.0025.618
ATOM1202CSER546−13.33956.27016.6561.0020.516
ATOM1203OSER546−12.91557.25217.2871.0022.068
ATOM1204NGLY547−12.55655.28816.1971.0016.707
ATOM1205CAGLY547−11.12355.48316.4111.0020.496
ATOM1206CGLY547−10.38554.15216.5551.0022.636
ATOM1207OGLY547−10.98253.10416.3321.0016.098
ATOM1208NASP548−9.11154.30616.9511.0020.627
ATOM1209CAASP548−8.32453.08917.1211.0021.576
ATOM1210CBASP548−6.88253.28716.6741.0028.996
ATOM1211CGASP548−6.81953.72215.2191.0041.076
ATOM1212OD1ASP548−7.84953.52814.5401.0039.218
ATOM1213OD2ASP548−5.76354.24614.8081.0039.408
ATOM1214CASP548−8.31552.65218.5901.0020.726
ATOM1215OASP548−7.81753.39719.4471.0020.278
ATOM1216NTYR549−8.82251.42618.7981.0016.977
ATOM1217CATYR549−8.81150.90020.1641.0018.606
ATOM1218CBTYR549−10.19350.27920.4721.0016.946
ATOM1219CGTYR549−11.27251.33220.6061.0018.456
ATOM1220CD1TYR549−11.90151.93819.5281.0019.276
ATOM1221CE1TYR549−12.87752.91819.7371.0020.186
ATOM1222CD2TYR549−11.67251.70421.8791.0018.366
ATOM1223CE2TYR549−12.63652.65022.1161.0015.606
ATOM1224CZTYR549−13.23853.26021.0271.0018.776
ATOM1225OHTYR549−14.21154.20621.2531.0018.418
ATOM1226CTYR549−7.76749.80520.3551.0015.786
ATOM1227OTYR549−7.53949.00719.4501.0015.868
ATOM1228NHIS550−7.19649.74021.5591.0015.017
ATOM1229CAHIS550−6.24748.69521.9251.0012.996
ATOM1230CBHIS550−4.84948.88621.3721.0011.966
ATOM1231CGHIS550−3.94249.83422.1171.0017.716
ATOM1232CD2HIS550−2.94449.57123.0041.0016.096
ATOM1233ND1HIS550−3.98851.20621.9711.0011.607
ATOM1234CE1HIS550−3.05851.76322.7161.0016.956
ATOM1235NE2HIS550−2.40750.80923.3701.0019.227
ATOM1236CHIS550−6.26348.59623.4621.0013.376
ATOM1237OHIS550−6.92249.41824.1291.0012.788
ATOM1238NCYS551−5.68047.51123.9571.0014.217
ATOM1239CACYS551−5.67047.30725.4141.0015.386
ATOM1240CCYS551−4.30146.88425.8801.0016.276
ATOM1241OCYS551−3.42246.46225.1321.0015.158
ATOM1242CBCYS551−6.74646.30425.8561.0016.856
ATOM1243SGCYS551−6.58144.59725.2481.0014.8216
ATOM1244NTHR552−4.08047.06127.1861.0017.417
ATOM1245CATHR552−2.87546.64327.8621.0017.276
ATOM1246CBTHR552−1.89947.73528.3051.0021.806
ATOM1247OG1THR552−2.52748.65429.2051.0017.538
ATOM1248CG2THR552−1.35648.47827.0751.0017.126
ATOM1249CTHR552−3.34645.87729.1271.0019.836
ATOM1250OTHR552−4.47146.14229.6001.0016.218
ATOM1251NGLY553−2.49644.95329.5341.0017.847
ATOM1252CAGLY553−2.81544.16030.7311.0020.336
ATOM1253CGLY553−1.64743.26131.1081.0018.606
ATOM1254OGLY553−0.77942.95130.2931.0019.878
ATOM1255NASN554−1.60342.86632.3731.0020.997
ATOM1256CAASN554−0.56042.05132.9591.0020.366
ATOM1257CBASN554−0.51242.31034.4781.0026.776
ATOM1258CGASN5540.80042.93834.8971.0040.916
ATOM1259OD1ASN5541.70042.28635.4411.0046.678
ATOM1260ND2ASN5540.92744.22734.6331.0040.247
ATOM1261CASN554−0.87940.56632.8171.0022.516
ATOM1262OASN554−1.97340.18133.2721.0022.158
ATOM1263NILE5550.01839.79932.2021.0019.407
ATOM1264CAILE555−0.19838.35232.1391.0022.276
ATOM1265CBILE555−0.21037.75030.7311.0026.296
ATOM1266CG2ILE555−0.32736.22630.8311.0023.316
ATOM1267CG1ILE555−1.36738.32229.8991.0028.166
ATOM1268CD1ILE555−1.37137.99228.4341.0029.426
ATOM1269CILE5550.97437.77732.9411.0027.676
ATOM1270OILE5552.11238.14032.6391.0024.108
ATOM1271NGLY5560.73237.02834.0201.0033.107
ATOM1272CAGLY5561.94236.58134.7801.0037.626
ATOM1273CGLY5562.44737.81335.5271.0038.806
ATOM1274OGLY5561.65938.35436.2991.0043.918
ATOM1275NTYR5573.65538.29335.3071.0041.477
ATOM1276CATYR5574.18239.50935.8941.0043.656
ATOM1277CBTYR5575.38139.22436.8321.0051.516
ATOM1278CGTYR5575.02038.27437.9611.0057.426
ATOM1279CD1TYR5575.52336.98137.9821.0060.456
ATOM1280CE1TYR5575.17936.10138.9921.0062.576
ATOM1281CD2TYR5574.14038.66238.9631.0061.006
ATOM1282CE2TYR5573.78837.78739.9821.0063.036
ATOM1283CZTYR5574.31336.51339.9861.0063.566
ATOM1284OHTYR5573.97935.62940.9841.0066.688
ATOM1285CTYR5574.67640.51534.8491.0041.966
ATOM1286OTYR5575.44541.44635.1151.0041.338
ATOM1287NTHR5584.29840.31933.5941.0036.777
ATOM1288CATHR5584.72241.17332.4961.0030.716
ATOM1289CBTHR5585.26040.26931.3641.0030.826
ATOM1290OG1THR5586.23739.39531.9421.0030.478
ATOM1291CG2THR5585.85141.04730.2071.0029.216
ATOM1292CTHR5583.53241.92231.9121.0025.666
ATOM1293OTHR5582.52141.25731.6421.0024.508
ATOM1294NLEU5593.68943.20231.6091.0021.007
ATOM1295CALEU5592.61743.94230.9601.0021.016
ATOM1296CBLEU5592.73745.43131.2841.0026.536
ATOM1297CGLEU5591.60146.37930.9581.0027.156
ATOM1298CD1LEU5590.32346.04931.7131.0025.156
ATOM1299CD2LEU5591.97947.83031.3161.0028.756
ATOM1300CLEU5592.65443.68729.4611.0022.046
ATOM1301OLEU5593.71143.61828.8441.0022.648
ATOM1302NPHE5601.48443.47028.8551.0020.797
ATOM1303CAPHE5601.43043.29027.4091.0019.106
ATOM1304CBPHE5600.82141.92027.0601.0020.916
ATOM1305CGPHE5601.84840.83227.2161.0019.506
ATOM1306CD1PHE5601.97140.19028.4421.0024.866
ATOM1307CD2PHE5602.64540.45726.1561.0021.036
ATOM1308CE1PHE5602.90339.15728.5881.0029.446
ATOM1309CE2PHE5603.58239.44526.2961.0019.896
ATOM1310CZPHE5603.70438.79227.5291.0025.346
ATOM1311CPHE5600.52144.35326.7941.0017.366
ATOM1312OPHE560−0.34644.88427.5041.0018.368
ATOM1313NSER5610.75344.62625.5211.0017.607
ATOM1314CASER561−0.08745.56424.7851.0014.636
ATOM1315CBSER5610.74446.71624.1881.0020.146
ATOM1316OGSER561−0.11547.81223.9011.0021.558
ATOM1317CSER561−0.66244.82923.5611.0018.966
ATOM1318OSER5610.10144.11322.8941.0019.798
ATOM1319NSER562−1.92145.07023.2321.0016.197
ATOM1320CASER562−2.51844.46222.0491.0016.746
ATOM1321CBSER562−4.02944.18822.2331.0016.786
ATOM1322OGSER562−4.80145.33621.9001.0021.008
ATOM1323CSER562−2.32245.38120.8451.0018.246
ATOM1324OSER562−1.94946.56120.9871.0016.858
ATOM1325NLYS563−2.53544.83919.6521.0017.967
ATOM1326CALYS563−2.48445.66318.4451.0017.366
ATOM1327CBLYS563−2.36944.90917.1331.0020.946
ATOM1328CGLYS563−1.22843.98116.9021.0025.346
ATOM1329CDLYS5630.12844.59516.6851.0029.026
ATOM1330CELYS5630.95443.73515.7211.0042.356
ATOM1331NZLYS5630.49542.30815.6921.0038.147
ATOM1332CLYS563−3.82146.40018.3911.0017.276
ATOM1333OLYS563−4.81745.96018.9781.0016.548
ATOM1334NPRO564−3.84047.51817.6961.0018.397
ATOM1335CDPRO564−2.70248.12316.9521.0020.796
ATOM1336CAPRO564−5.06048.29417.5461.0019.846
ATOM1337CBPRO564−4.54549.68917.1421.0017.336
ATOM1338CGPRO564−3.25449.45016.4751.0021.766
ATOM1339CPRO564−6.03247.69716.5281.0019.626
ATOM1340OPRO564−5.72346.92415.6191.0019.468
ATOM1341NVAL565−7.29548.03316.6741.0017.227
ATOM1342CAVAL565−8.42747.70415.8411.0020.366
ATOM1343CBVAL565−9.40546.67616.4501.0020.846
ATOM1344CG1VAL565−10.41846.22315.4041.0020.466
ATOM1345CG2VAL565−8.69945.39116.8991.0023.726
ATOM1346CVAL565−9.17349.03315.5901.0022.056
ATOM1347OVAL565−9.53249.77216.4991.0022.108
ATOM1348NTHR566−9.44449.31714.3201.0024.937
ATOM1349CATHR566−10.11150.54913.9391.0026.076
ATOM1350CBTHR566−9.63151.08212.5791.0031.666
ATOM1351OG1THR566−9.73750.05511.5691.0038.398
ATOM1352CG2THR566−8.18051.51312.6941.0023.716
ATOM1353CTHR566−11.61150.26913.9091.0025.066
ATOM1354OTHR566−11.98549.33013.2441.0021.888
ATOM1355NILE567−12.36250.98814.7141.0021.407
ATOM1356CAILE567−13.78450.95914.9091.0025.066
ATOM1357CBILE567−14.08850.70216.4241.0026.216
ATOM1358CG2ILE567−15.58850.70716.6731.0026.686
ATOM1359CG1ILE567−13.41549.39416.8251.0026.566
ATOM1360CD1ILE567−13.94648.54817.9391.0030.836
ATOM1361CILE567−14.41652.29414.5011.0024.366
ATOM1362OILE567−14.01353.38414.9201.0023.368
ATOM1363NTHR568−15.41252.27513.6301.0022.837
ATOM1364CATHR568−16.08353.46113.1521.0027.276
ATOM1365CBTHR568−15.94553.60011.6221.0031.886
ATOM1366OG1THR568−14.56553.49511.2771.0032.118
ATOM1367CG2THR568−16.46254.97211.1791.0034.546
ATOM1368CTHR568−17.57553.45213.5011.0028.536
ATOM1369OTHR568−18.19052.38313.5081.0032.648
ATOM1370NVAL569−18.09054.60613.8631.0023.557
ATOM1371CAVAL569−19.47254.85514.1631.0027.276
ATOM1372CBVAL569−19.72855.50715.5231.0028.516
ATOM1373CG1VAL569−21.22755.73315.7571.0026.426
ATOM1374CG2VAL569−19.18954.70616.6961.0027.976
ATOM1375CVAL569−20.01155.84413.0981.0032.656
ATOM1376OVAL569−19.33256.81012.7101.0033.218
ATOM1377NGLN570−21.24555.67012.6890.0133.857
ATOM1378CAGLN570−21.96656.47611.7370.0135.756
ATOM1379CBGLN570−23.33556.83912.3620.0136.486
ATOM1380CGGLN570−24.46556.85411.3470.0137.546
ATOM1381CDGLN570−25.47855.75611.5990.0137.916
ATOM1382OE1GLN570−25.14254.68012.0960.0138.178
ATOM1383NE2GLN570−26.73556.02011.2570.0138.217
ATOM1384CGLN570−21.35557.77811.2410.0136.706
ATOM1385OGLN570−21.04958.69911.9950.0136.818
ATOM1386NVAL571−21.27357.9079.9190.0137.517
ATOM1387CAVAL571−20.78159.0949.2400.0138.206
ATOM1388CBVAL571−19.48359.6589.8420.0138.616
ATOM1389CG1VAL571−18.33458.6679.6810.0138.886
ATOM1390CG2VAL571−19.11560.9859.1800.0138.836
ATOM1391CVAL571−20.58758.8187.7500.0138.426
ATOM1392OVAL571−21.42059.2936.9490.0138.538
ATOM1OW0WAT601−13.95832.76019.9301.0018.368
ATOM2OW0WAT602−13.65359.62523.3201.0024.598
ATOM3OW0WAT603−5.89543.45618.9651.0014.148
ATOM4OW0WAT604−9.51928.17830.5141.0042.118
ATOM5OW0WAT605−8.70036.41228.3551.0021.658
ATOM6OW0WAT606−25.54835.2027.8981.0024.888
ATOM7OW0WAT607−2.90248.39531.8971.0019.138
ATOM8OW0WAT608−14.30355.61023.6761.0024.288
ATOM9OW0WAT609−10.37138.31429.0761.0027.738
ATOM10OW0WAT610−12.43334.23721.5051.0014.048
ATOM11OW0WAT611−5.41753.36721.0021.0016.898
ATOM12OW0WAT612−29.59918.06911.5951.0034.628
ATOM13OW0WAT613−17.81330.6792.6481.0016.348
ATOM14OW0WAT614−6.65642.55116.4131.0024.318
ATOM15OW0WAT615−21.19120.7205.3351.0030.058
ATOM16OW0WAT616−15.62134.10018.3191.0018.828
ATOM17OW0WAT617−6.52844.45614.4601.0026.688
ATOM18OW0WAT618−6.21331.14322.7921.0019.898
ATOM19OW0WAT619−12.93532.99224.1091.0029.958
ATOM20OW0WAT6202.27738.63020.9531.0028.348
ATOM21OW0WAT621−20.15129.5220.1831.0021.628
ATOM22OW0WAT622−27.77335.6636.2951.0020.748
ATOM23OW0WAT6230.48142.00219.8111.0024.678
ATOM24OW0WAT624−17.81532.9521.1201.0026.998
ATOM25OW0WAT625−16.60436.10525.5231.0018.458
ATOM26OW0WAT6260.33041.28622.5161.0029.018
ATOM27OW0WAT627−13.32459.91117.1291.0040.988
ATOM28OW0WAT628−9.21459.48622.4501.0041.918
ATOM29OW0WAT629−20.14618.59613.8501.0050.038
ATOM30OW0WAT630−21.70720.51312.3251.0018.468
ATOM31OW0WAT631−15.40333.69925.5991.0021.448
ATOM32OW0WAT632−12.70337.60830.1741.0037.288
ATOM33OW0WAT633−12.47939.46639.2501.0023.788
ATOM34OW0WAT634−13.92141.4069.1061.0040.498
ATOM35OW0WAT635−7.23028.48524.4321.0041.818
ATOM36OW0WAT636−2.98942.18519.3441.0017.298
ATOM37OW0WAT637−12.86525.83010.1801.0047.198
ATOM38OW0WAT638−2.75432.87513.2591.0035.758
ATOM39OW0WAT639−17.41643.25826.6411.0032.098
ATOM40OW0WAT640−31.06825.28710.8881.0020.858
ATOM41OW0WAT641−17.72528.88121.2611.0025.438
ATOM42OW0WAT642−32.76035.6156.0791.0038.048
ATOM43OW0WAT643−14.07928.49325.2181.0020.238
ATOM44OW0WAT644−16.64422.930−2.3151.0034.008
ATOM45OW0WAT645−1.79038.22335.5181.0030.638
ATOM46OW0WAT646−10.02624.02613.6391.0031.108
ATOM47OW0WAT647−11.09660.32824.5991.0033.258
ATOM48OW0WAT648−19.45727.850−2.9701.0036.888
ATOM49OW0WAT649−18.57840.75826.7561.0030.868
ATOM50OW0WAT650−11.11922.19116.1901.0037.838
ATOM51OW0WAT651−2.58324.17928.0321.0073.188
ATOM52OW0WAT652−0.24325.71322.8031.0034.158
ATOM53OW0WAT653−33.32818.70110.2551.0023.178
ATOM54OW0WAT654−22.21213.7855.0801.0051.418
ATOM55OW0WAT655−21.39316.94511.6801.0031.478
ATOM56OW0WAT656−37.17428.4844.3491.0036.668
ATOM57OW0WAT657−23.29146.91613.9811.0045.028
ATOM58OW0WAT658−31.52120.7325.4041.0028.198
ATOM59OW0WAT659−11.90422.6978.2091.0061.398
ATOM60OW0WAT660−7.39364.70624.6681.0045.968
ATOM61OW0WAT661−12.35629.91223.7271.0023.778
ATOM62OW0WAT662−33.89831.7887.3531.0032.968
ATOM63OW0WAT663−28.50248.10225.4781.0058.408
ATOM64OW0WAT664−23.41463.05618.4271.0035.168
ATOM65OW0WAT665−4.79226.23516.7781.0044.498
ATOM66OW0WAT666−28.50923.145−1.6201.0050.518
ATOM67OW0WAT667−19.68532.378−0.7121.0045.748
ATOM68OW0WAT668−10.89926.37923.6201.0043.618
ATOM69OW0WAT6691.03327.14620.1281.0034.528
ATOM70OW0WAT670−15.21533.4690.0771.0027.358
ATOM71OW0WAT671−8.74820.87716.5081.0051.598
ATOM72OW0WAT672−22.33218.5523.7071.0030.258
ATOM73OW0WAT673−23.37330.09517.6101.0022.448
ATOM74OW0WAT674−11.96532.99426.3591.0026.928
ATOM75OW0WAT675−35.79329.7207.1981.0027.198
ATOM76OW0WAT676−10.33328.33625.8671.0046.788
ATOM77OW0WAT677−17.23031.68124.8521.0026.228
ATOM78OW0WAT678−17.59449.43430.8301.0032.588
ATOM79OW0WAT679−8.56133.16332.8841.0037.048
ATOM80OW0WAT680−16.37429.101−4.1951.0031.458
ATOM81OW0WAT681−8.99530.53724.9461.0036.648
ATOM82OW0WAT682−19.01953.81528.6761.0048.068
ATOM83OW0WAT683−20.03939.51615.7421.0023.238
ATOM84OW0WAT684−21.30845.55720.6581.0028.248
ATOM85OW0WAT685−7.40530.8475.2611.0041.478
ATOM86OW0WAT686−23.72934.8000.6321.0030.278
ATOM87OW0WAT687−15.82660.77123.9461.0041.948
ATOM88OW0WAT6880.11950.49524.8120.5025.938
ATOM89OW0WAT689−3.39745.98742.2451.0029.878
ATOM90OW0WAT690−10.21547.71532.2701.0043.338
ATOM91OW0WAT691−8.44035.75733.8831.0034.098
END

[0144] 3

TABLE 3
REMARK Homology model of Fc epsilon Receptor I by V. C. Epa; based on structure of
FcgRIIa by K. Maxwell.
REMARK Produced by MODELLER: 24-Aug-98 01:02:51
REMARK MODELLER OBJECTIVE FUNCTION: 643.18171
ATOM1NVAL136.44243.25322.1841.000.141SG2
ATOM2CAVAL137.92243.32122.1761.000.141SG3
ATOM3CBVAL138.48342.98623.5381.000.141SG4
ATOM4CG1VAL138.02644.08024.5161.000.141SG5
ATOM5CG2VAL138.05141.57623.9701.000.141SG6
ATOM6CVAL138.61442.50821.1191.000.141SG7
ATOM7OVAL139.75842.82120.7961.000.141SG8
ATOM8NPRO238.02641.49220.5331.000.151SG9
ATOM9CAPRO238.76140.84019.4881.000.151SG10
ATOM10CDPRO237.20840.53121.2661.000.151SG11
ATOM11CBPRO238.09939.48319.2701.000.151SG12
ATOM12CGPRO237.50239.15520.6471.000.151SG13
ATOM13CPRO238.75441.70718.2761.000.151SG14
ATOM14OPRO237.88542.56918.1631.000.151SG15
ATOM15NGLN339.71441.49517.3591.000.191SG16
ATOM16CAGLN339.78242.30116.1801.000.191SG17
ATOM17CBGLN340.95141.91315.2601.000.191SG18
ATOM18CGGLN341.17742.87114.0921.000.191SG19
ATOM19CDGLN342.43042.40013.3691.000.191SG20
ATOM20OE1GLN342.83941.24913.5081.000.191SG21
ATOM21NE2GLN343.06343.31212.5841.000.191SG22
ATOM22CGLN338.49742.10315.4481.000.191SG23
ATOM23OGLN337.82141.09115.6271.000.191SG24
ATOM24NLYS438.11243.08814.6141.000.231SG25
ATOM25CALYS436.85542.99813.9321.000.231SG26
ATOM26CBLYS436.14644.35413.7761.000.231SG27
ATOM27CGLYS435.71444.97215.1071.000.231SG28
ATOM28CDLYS435.31546.44614.9961.000.231SG29
ATOM29CELYS436.50647.38614.8041.000.231SG30
ATOM30NZLYS436.03348.77814.6311.000.231SG31
ATOM31CLYS437.08942.46412.5601.000.231SG32
ATOM32OLYS437.99042.88311.8341.000.231SG33
ATOM33NPRO536.26141.52012.2181.000.251SG34
ATOM34CAPRO536.31640.87810.9381.000.251SG35
ATOM35CDPRO534.93741.43612.8041.000.251SG36
ATOM36CBPRO535.14039.91010.9301.000.251SG37
ATOM37CGPRO534.09440.65611.7801.000.251SG38
ATOM38CPRO536.08641.9539.9321.000.251SG39
ATOM39OPRO535.46442.95810.2751.000.251SG40
ATOM40NLYS636.59241.7868.6991.000.351SG41
ATOM41CALYS636.33642.7907.7141.000.351SG42
ATOM42CBLYS637.59743.3447.0301.000.351SG43
ATOM43CGLYS638.41844.2757.9241.000.351SG44
ATOM44CDLYS639.06543.5749.1201.000.351SG45
ATOM45CELYS639.88444.51610.0041.000.351SG46
ATOM46NZLYS640.46943.76711.1371.000.351SG47
ATOM47CLYS635.49142.1686.6591.000.351SG48
ATOM48OLYS635.68641.0116.2891.000.351SG49
ATOM49NVAL734.49842.9286.1651.000.351SG50
ATOM50CAVAL733.66842.4085.1241.000.351SG51
ATOM51CBVAL732.20742.7215.2991.000.351SG52
ATOM52CG1VAL732.01444.2475.2801.000.351SG53
ATOM53CG2VAL731.42341.9854.2001.000.351SG54
ATOM54CVAL734.13243.0393.8571.000.351SG55
ATOM55OVAL734.31344.2543.7831.000.351SG56
ATOM56NSER834.36342.2112.8251.000.171SG57
ATOM57CASER834.83142.7341.5801.000.171SG58
ATOM58CBSER836.05941.9941.0241.000.171SG59
ATOM59OGSER836.45842.571−0.2101.000.171SG60
ATOM60CSER833.73342.5750.5861.000.171SG61
ATOM61OSER833.03041.5660.5751.000.171SG62
ATOM62NLEU933.55243.593−0.2721.000.111SG63
ATOM63CALEU932.51943.525−1.2571.000.111SG64
ATOM64CBLEU931.56344.731−1.1981.000.111SG65
ATOM65CGLEU930.44244.709−2.2531.000.111SG66
ATOM66CD2LEU929.72546.068−2.3161.000.111SG67
ATOM67CD1LEU929.47443.536−2.0251.000.111SG68
ATOM68CLEU933.17543.554−2.5971.000.111SG69
ATOM69OLEU933.99244.428−2.8831.000.111SG70
ATOM70NASN1032.85142.565−3.4501.000.171SG71
ATOM71CAASN1033.40142.565−4.7711.000.171SG72
ATOM72CBASN1034.40641.428−5.0111.000.171SG73
ATOM73CGASN1035.62341.693−4.1391.000.171SG74
ATOM74OD1ASN1035.83041.018−3.1321.000.171SG75
ATOM75ND2ASN1036.45142.698−4.5321.000.171SG76
ATOM76CASN1032.25742.340−5.7021.000.171SG77
ATOM77OASN1031.54341.346−5.5851.000.171SG78
ATOM78NPRO1132.03743.241−6.6151.000.351SG79
ATOM79CAPRO1132.83644.431−6.6951.000.351SG80
ATOM80CDPRO1131.55442.825−7.9231.000.351SG81
ATOM81CBPRO1132.56545.023−8.0761.000.351SG82
ATOM82CGPRO1132.18043.803−8.9301.000.351SG83
ATOM83CPRO1132.45045.345−5.5791.000.351SG84
ATOM84OPRO1131.44145.098−4.9201.000.351SG85
ATOM85NPRO1233.23446.363−5.3591.000.521SG86
ATOM86CAPRO1232.98047.289−4.2891.000.521SG87
ATOM87CDPRO1234.64946.281−5.6841.000.521SG88
ATOM88CBPRO1234.25948.107−4.1341.000.521SG89
ATOM89CGPRO1235.36047.165−4.6471.000.521SG90
ATOM90CPRO1231.77548.132−4.5441.000.521SG91
ATOM91OPRO1231.34748.837−3.6321.000.521SG92
ATOM92NTRP1331.21748.087−5.7671.000.351SG93
ATOM93CATRP1330.11648.944−6.0991.000.351SG94
ATOM94CBTRP1329.53548.655−7.4921.000.351SG95
ATOM95CGTRP1330.56948.725−8.5901.000.351SG96
ATOM96CD2TRP1331.36849.880−8.8831.000.351SG97
ATOM97CD1TRP1330.98247.743−9.4421.000.351SG98
ATOM98NE1TRP1331.98148.216−10.2571.000.351SG99
ATOM99CE2TRP1332.23249.530−9.9211.000.351SG100
ATOM100CE3TRP1331.38951.127−8.3271.000.351SG101
ATOM101CZ2TRP1333.13150.426−10.4221.000.351SG102
ATOM102CZ3TRP1332.29252.032−8.8391.000.351SG103
ATOM103CH2TRP1333.14551.687−9.8671.000.351SG104
ATOM104CTRP1329.02848.729−5.0941.000.351SG105
ATOM105OTRP1328.53647.615−4.9201.000.351SG106
ATOM106NASN1428.64649.808−4.3791.000.151SG107
ATOM107CAASN1427.61549.722−3.3851.000.151SG108
ATOM108CBASN1427.49050.980−2.5041.000.151SG109
ATOM109CGASN1426.97852.146−3.3401.000.151SG110
ATOM110OD1ASN1427.40952.366−4.4711.000.151SG111
ATOM111ND2ASN1426.00852.913−2.7731.000.151SG112
ATOM112CASN1426.30049.521−4.0651.000.151SG113
ATOM113OASN1425.46348.747−3.6021.000.151SG114
ATOM114NARG1526.08750.221−5.1961.000.131SG115
ATOM115CAARG1524.83450.135−5.8841.000.131SG116
ATOM116CBARG1524.36551.472−6.4871.000.131SG117
ATOM117CGARG1524.05052.558−5.4581.000.131SG118
ATOM118CDARG1523.59053.872−6.0941.000.131SG119
ATOM119NEARG1523.34954.844−4.9901.000.131SG120
ATOM120CZARG1522.13855.461−4.8641.000.131SG121
ATOM121NH1ARG1521.14355.212−5.7641.000.131SG122
ATOM122NH2ARG1521.92456.330−3.8331.000.131SG123
ATOM123CARG1525.03349.218−7.0391.000.131SG124
ATOM124OARG1525.97649.374−7.8131.000.131SG125
ATOM125NILE1624.14448.220−7.1851.000.121SG126
ATOM126CAILE1624.29547.330−8.2941.000.121SG127
ATOM127CBILE1624.81745.969−7.9281.000.121SG128
ATOM128CG2ILE1626.22446.139−7.3311.000.121SG129
ATOM129CG1ILE1623.82845.237−7.0051.000.121SG130
ATOM130CD1ILE1624.14143.749−6.8501.000.121SG131
ATOM131CILE1622.94847.120−8.8921.000.121SG132
ATOM132OILE1621.93947.597−8.3741.000.121SG133
ATOM133NPHE1722.91946.404−10.0301.000.171SG134
ATOM134CAPHE1721.68446.108−10.6881.000.171SG135
ATOM135CBPHE1721.75546.075−12.2231.000.171SG136
ATOM136CGPHE1721.91947.447−12.7651.000.171SG137
ATOM137CD1PHE1720.84448.303−12.8111.000.171SG138
ATOM138CD2PHE1723.13747.862−13.2481.000.171SG139
ATOM139CE1PHE1720.98449.568−13.3241.000.171SG140
ATOM140CE2PHE1723.28349.126−13.7641.000.171SG141
ATOM141CZPHE1722.20549.976−13.8001.000.171SG142
ATOM142CPHE1721.31444.719−10.3161.000.171SG143
ATOM143OPHE1722.15143.922−9.8961.000.171SG144
ATOM144NLYS1820.01844.402−10.4621.000.221SG145
ATOM145CALYS1819.57143.082−10.1621.000.221SG146
ATOM146CBLYS1818.04042.943−10.1871.000.221SG147
ATOM147CGLYS1817.42443.301−11.5391.000.221SG148
ATOM148CDLYS1815.96142.882−11.6721.000.221SG149
ATOM149CELYS1815.35343.196−13.0391.000.221SG150
ATOM150NZLYS1814.01442.574−13.1421.000.221SG151
ATOM151CLYS1820.14142.189−11.2101.000.221SG152
ATOM152OLYS1820.33542.596−12.3551.000.221SG153
ATOM153NGLY1920.45540.940−10.8241.000.211SG154
ATOM154CAGLY1920.98640.005−11.7671.000.211SG155
ATOM155CGLY1922.47440.059−11.6921.000.211SG156
ATOM156OGLY1923.16039.196−12.2361.000.211SG157
ATOM157NGLU2023.01741.079−11.0051.000.231SG158
ATOM158CAGLU2024.44241.177−10.9101.000.231SG159
ATOM159CBGLU2024.94042.579−10.5231.000.231SG160
ATOM160CGGLU2024.68043.613−11.6191.000.231SG161
ATOM161CDGLU2025.39143.115−12.8701.000.231SG162
ATOM162OE1GLU2026.55642.653−12.7411.000.231SG163
ATOM163OE2GLU2024.77443.175−13.9671.000.231SG164
ATOM164CGLU2024.89740.218−9.8641.000.231SG165
ATOM165OGLU2024.12239.806−9.0011.000.231SG166
ATOM166NASN2126.18139.822−9.9301.000.161SG167
ATOM167CAASN2126.69438.898−8.9651.000.161SG168
ATOM168CBASN2127.68637.880−9.5531.000.161SG169
ATOM169CGASN2126.89536.971−10.4811.000.161SG170
ATOM170OD1ASN2125.67136.909−10.3941.000.161SG171
ATOM171ND2ASN2127.60236.251−11.3921.000.161SG172
ATOM172CASN2127.41539.694−7.9331.000.161SG173
ATOM173OASN2128.12140.652−8.2461.000.161SG174
ATOM174NVAL2227.21739.327−6.6541.000.071SG175
ATOM175CAVAL2227.87640.026−5.5961.000.071SG176
ATOM176CBVAL2226.92240.670−4.6321.000.071SG177
ATOM177CG1VAL2227.72741.288−3.4781.000.071SG178
ATOM178CG2VAL2226.05641.681−5.4051.000.071SG179
ATOM179CVAL2228.66139.015−4.8361.000.071SG180
ATOM180OVAL2228.18637.907−4.5901.000.071SG181
ATOM181NTHR2329.90839.362−4.4691.000.061SG182
ATOM182CATHR2330.69238.440−3.7061.000.061SG183
ATOM183CBTHR2331.98038.047−4.3681.000.061SG184
ATOM184OG1THR2331.71437.430−5.6191.000.061SG185
ATOM185CG2THR2332.72737.067−3.4461.000.061SG186
ATOM186CTHR2331.04439.117−2.4251.000.061SG187
ATOM187OTHR2331.57740.225−2.4181.000.061SG188
ATOM188NLEU2430.73138.460−1.2951.000.061SG189
ATOM189CALEU2431.05739.021−0.0201.000.061SG190
ATOM190CBLEU2429.87139.0480.9561.000.061SG191
ATOM191CGLEU2428.70239.9300.4791.000.061SG192
ATOM192CD2LEU2429.18241.3460.1231.000.061SG193
ATOM193CD1LEU2427.54839.9241.4951.000.061SG194
ATOM194CLEU2432.07638.1120.5721.000.061SG195
ATOM195OLEU2431.88636.8980.6151.000.061SG196
ATOM196NTHR2533.20638.6781.0301.000.281SG197
ATOM197CATHR2534.20237.8381.6161.000.281SG198
ATOM198CBTHR2535.50737.8520.8761.000.281SG199
ATOM199OG1THR2535.31937.412−0.4611.000.281SG200
ATOM200CG2THR2536.49636.9271.6051.000.281SG201
ATOM201CTHR2534.46038.3672.9791.000.281SG202
ATOM202OTHR2534.57939.5723.1871.000.281SG203
ATOM203NCYS2634.54337.4623.9601.000.521SG204
ATOM204CACYS2634.77037.9225.2861.000.521SG205
ATOM205CBCYS2633.72437.3326.2261.000.521SG206
ATOM206SGCYS2633.90537.8447.9401.000.521SG207
ATOM207CCYS2636.11137.4105.6811.000.521SG208
ATOM208OCYS2636.32736.2015.7481.000.521SG209
ATOM209NASN2737.05038.3325.9611.000.351SG210
ATOM210CAASN2738.37737.9186.2981.000.351SG211
ATOM211CBASN2739.47238.6735.5271.000.351SG212
ATOM212CGASN2739.38940.1405.9271.000.351SG213
ATOM213OD1ASN2738.32040.7475.8971.000.351SG214
ATOM214ND2ASN2740.54940.7266.3261.000.351SG215
ATOM215CASN2738.59538.2117.7431.000.351SG216
ATOM216OASN2737.97239.1078.3101.000.351SG217
ATOM217NGLY2839.48337.4278.3811.000.151SG218
ATOM218CAGLY2839.77937.6369.7651.000.151SG219
ATOM219CGLY2840.25136.33010.3061.000.151SG220
ATOM220OGLY2840.30235.3339.5871.000.151SG221
ATOM221NASN2940.60436.29911.6061.000.161SG222
ATOM222CAASN2941.05335.06512.1731.000.161SG223
ATOM223CBASN2941.55435.17613.6241.000.161SG224
ATOM224CGASN2942.89535.89513.6211.000.161SG225
ATOM225OD1ASN2943.49436.13112.5731.000.161SG226
ATOM226ND2ASN2943.39136.24114.8381.000.161SG227
ATOM227CASN2939.88334.14312.1681.000.161SG228
ATOM228OASN2938.74134.56612.3361.000.161SG229
ATOM229NASN3040.14832.84311.9491.000.161SG230
ATOM230CAASN3039.08031.89311.8891.000.161SG231
ATOM231CBASN3038.85531.35910.4681.000.161SG232
ATOM232CGASN3037.71830.35510.5111.000.161SG233
ATOM233OD1ASN3036.71630.53511.2001.000.161SG234
ATOM234ND2ASN3037.89929.2399.7581.000.161SG235
ATOM235CASN3039.43630.72112.7441.000.161SG236
ATOM236OASN3040.60930.39012.9091.000.161SG237
ATOM237NPHE3138.40930.07313.3321.000.121SG238
ATOM238CAPHE3138.62828.89914.1231.000.121SG239
ATOM239CBPHE3137.51028.63915.1461.000.121SG240
ATOM240CGPHE3137.85727.40415.9021.000.121SG241
ATOM241CD1PHE3138.77427.44716.9271.000.121SG242
ATOM242CD2PHE3137.26026.20515.5921.000.121SG243
ATOM243CE1PHE3139.09226.31017.6311.000.121SG244
ATOM244CE2PHE3137.57525.06416.2921.000.121SG245
ATOM245CZPHE3138.49525.11517.3121.000.121SG246
ATOM246CPHE3138.63927.76513.1551.000.121SG247
ATOM247OPHE3138.11827.88812.0491.000.121SG248
ATOM248NPHE3239.24826.62613.5281.000.111SG249
ATOM249CAPHE3239.26525.56512.5701.000.111SG250
ATOM250CSPHE3240.42624.57912.7731.000.111SG251
ATOM251CGPHE3241.66325.38112.5631.000.111SG252
ATOM252CD1PHE3242.19526.10913.6021.000.111SG253
ATOM253CD2PHE3242.28425.41711.3371.000.111SG254
ATOM254CE1PHE3243.33526.85713.4281.000.111SG255
ATOM255CE2PHE3243.42426.16411.1571.000.111SG256
ATOM256CZPHE3243.95226.88512.2011.000.111SG257
ATOM257CPHE3237.98024.82712.7101.000.111SG258
ATOM258OPHE3237.87923.85813.4601.000.111SG259
ATOM259NGLU3336.94925.28711.9771.000.101SG260
ATOM260CAGLU3335.67324.64312.0381.000.101SG261
ATOM261CBGLU3334.68225.32712.9941.000.101SG262
ATOM262CGGLU3334.36426.77312.6101.000.101SG263
ATOM263CDGLU3333.38327.31413.6381.000.101SG264
ATOM264OE1GLU3332.43726.56513.9991.000.101SG265
ATOM265OE2GLU3333.56728.48114.0771.000.101SG266
ATOM266CGLU3335.07624.69810.6721.000.101SG267
ATOM267OGLU3335.45325.5329.8491.000.101SG268
ATOM268NVAL3434.13023.78410.3911.000.091SG269
ATOM269CAVAL3433.50923.7639.1031.000.091SG270
ATOM270CBVAL3432.56222.6128.9431.000.091SG271
ATOM271CG1VAL3431.94522.6767.5381.000.091SG272
ATOM272CG2VAL3433.33521.3109.2151.000.091SG273
ATOM273CVAL3432.74225.0328.9261.000.091SG274
ATOM274OVAL3432.85425.6937.8951.000.091SG275
ATOM275NSER3531.95325.4319.9421.000.111SG276
ATOM276CASER3531.20226.6459.8001.000.111SG277
ATOM277CBSER3529.83826.61310.5221.000.111SG278
ATOM278OGSER3530.01126.40011.9151.000.111SG279
ATOM279CSER3532.03327.74310.3781.000.111SG280
ATOM280OSER3531.85628.15311.5241.000.111SG281
ATOM281NSER3632.97428.2499.5631.000.271SG282
ATOM282CASER3633.90629.2519.9841.000.271SG283
ATOM283CBSER3634.96229.5398.9051.000.271SG284
ATOM284OGSER3635.64828.3438.5711.000.271SG285
ATOM285CSER3633.20430.54110.2561.000.271SG286
ATOM286OSER3633.43931.18611.2771.000.271SG287
ATOM287NTHR3732.29030.9549.3601.000.481SG288
ATOM288CATHR3731.75232.2669.5501.000.481SG289
ATOM289CBTHR3732.13233.2168.4621.000.481SG290
ATOM290OG1THR3731.57934.4908.7371.000.481SG291
ATOM291CG2THR3731.59132.6857.1241.000.481SG292
ATOM292CTHR3730.26532.2539.5961.000.481SG293
ATOM293OTHR3729.60731.3379.1051.000.481SG294
ATOM294NLYS3829.70833.30710.2251.000.411SG295
ATOM295CALYS3828.29133.48210.2941.000.411SG296
ATOM296CBLYS3827.77033.75411.7151.000.411SG297
ATOM297CGLYS3828.24532.73912.7571.000.411SG298
ATOM298CDLYS3829.73432.87713.0871.000.411SG299
ATOM299CELYS3830.19332.03014.2761.000.411SG300
ATOM300NZLYS3831.62132.30114.5651.000.411SG301
ATOM301CLYS3828.01334.7209.5061.000.411SG302
ATOM302OLYS3828.70935.7269.6521.000.411SG303
ATOM303NTRP3926.99834.6778.6241.000.181SG304
ATOM304CATRP3926.68035.8527.8701.000.181SG305
ATOM305CBTRP3926.59935.6456.3441.000.181SG306
ATOM306CGTRP3927.94035.4955.6631.000.181SG307
ATOM307CD2TRP3928.80436.6065.3771.000.181SG308
ATOM308CD1TRP3928.58534.3785.2201.000.181SG309
ATOM309NE1TRP3929.80034.7254.6721.000.181SG310
ATOM310CE2TRP3929.94736.0944.7641.000.181SG311
ATOM311CE3TRP3928.65637.9435.6111.000.181SG312
ATOM312CZ2TRP3930.96436.9184.3741.000.181SG313
ATOM313CZ3TRP3929.68138.7725.2141.000.181SG314
ATOM314CH2TRP3930.81338.2694.6071.000.181SG315
ATOM315CTRP3925.34536.3298.3191.000.181SG316
ATOM316OTRP3924.47335.5368.6681.000.181SG317
ATOM317NPHE4025.16637.6628.3551.000.081SG318
ATOM318CAPHE4023.89838.1778.7591.000.081SG319
ATOM319CBPHE4023.94238.92410.1021.000.081SG320
ATOM320CGPHE4024.26837.91111.1421.000.081SG321
ATOM321CD1PHE4025.57537.56011.3931.000.081SG322
ATOM322CD2PHE4023.26237.31111.8651.000.081SG323
ATOM323CE1PHE4025.87236.62312.3521.000.081SG324
ATOM324CE2PHE4023.55536.37212.8261.000.081SG325
ATOM325CZPHE4024.86336.02813.0711.000.081SG326
ATOM326CPHE4023.44939.1467.7211.000.081SG327
ATOM327OPHE4024.24339.9207.1891.000.081SG328
ATOM328NHIS4122.15039.0907.3821.000.101SG329
ATOM329CAHIS4121.58940.0336.4681.000.101SG330
ATOM330ND1HIS4119.88240.1323.0441.000.101SG331
ATOM331CGHIS4120.49140.4274.2421.000.101SG332
ATOM332CBHIS4120.94239.3975.2321.000.101SG333
ATOM333NE2HIS4120.03642.3493.1531.000.101SG334
ATOM334CD2HIS4120.57741.7844.2941.000.101SG335
ATOM335CE1HIS4119.63141.3172.4341.000.101SG336
ATOM336CHIS4120.50840.7227.2261.000.101SG337
ATOM337OHIS4119.55740.0907.6821.000.101SG338
ATOM338NASN4220.63242.0497.3861.000.111SG339
ATOM339CAASN4219.65142.7728.1321.000.111SG340
ATOM340CBASN4218.25242.7647.4891.000.111SG341
ATOM341CGASN4218.29143.6916.2831.000.111SG342
ATOM342OD1ASN4219.27544.3956.0621.000.111SG343
ATOM343ND2ASN4217.18543.7105.4921.000.111SG344
ATOM344CASN4219.56642.1559.4901.000.111SG345
ATOM345OASN4218.52542.20010.1441.000.111SG346
ATOM346NGLY4320.68341.5679.9551.000.081SG347
ATOM347CAGLY4320.71441.01411.2771.000.081SG348
ATOM348CGLY4320.17239.62011.2641.000.081SG349
ATOM349OGLY4320.03639.00112.3181.000.081SG350
ATOM350NSER4419.84439.07410.0791.000.151SG351
ATOM351CASER4419.33037.73510.0681.000.151SG352
ATOM352CBSER4418.21837.4989.0341.000.151SG353
ATOM353OGSER4418.73737.6417.7201.000.151SG354
ATOM354CSER4420.46436.8329.7171.000.151SG355
ATOM355OSER4421.20337.0858.7691.000.151SG356
ATOM356NLEU4520.63835.74710.4911.000.351SG357
ATOM357CALEU4521.72034.84310.2411.000.351SG358
ATOM358CBLEU4521.93933.85211.4131.000.351SG359
ATOM359CGLEU4523.09132.82311.2981.000.351SG360
ATOM360CD2LEU4522.93831.86510.1001.000.351SG361
ATOM361CD1LEU4523.22632.02212.6021.000.351SG362
ATOM362CLEU4521.39834.0978.9881.000.351SG363
ATOM363OLEU4520.24933.7368.7401.000.351SG364
ATOM364NSER4622.43033.8638.1531.000.481SG365
ATOM365CASER4622.26333.1186.9381.000.481SG366
ATOM366CBSER4622.95733.7305.7071.000.481SG367
ATOM367OGSER4622.35534.9585.3341.000.481SG368
ATOM368CSER4622.96031.8137.1351.000.481SG369
ATOM369OSER4624.13731.7707.4871.000.481SG370
ATOM370NGLU4722.22130.7116.9361.000.441SG371
ATOM371CAGLU4722.72429.3717.0171.000.441SG372
ATOM372CBGLU4721.60428.3217.0261.000.441SG373
ATOM373CGGLU4720.76828.3505.7451.000.441SG374
ATOM374CDGLU4719.70027.2725.8391.000.441SG375
ATOM375OE1GLU4719.53926.6906.9451.000.441SG376
ATOM376OE2GLU4719.03027.0164.8031.000.441SG377
ATOM377CGLU4723.55229.0925.8001.000.441SG378
ATOM378OGLU4724.41328.2155.8001.000.441SG379
ATOM379NGLU4823.28829.8584.7301.000.451SG380
ATOM380CAGLU4823.74129.6353.3871.000.451SG381
ATOM381CBGLU4823.28430.7752.4651.000.451SG382
ATOM382CGGLU4823.79832.1402.9291.000.451SG383
ATOM383CDGLU4823.18733.2152.0411.000.451SG384
ATOM384OE1GLU4822.44032.8521.0941.000.451SG385
ATOM385OE2GLU4823.45934.4172.3021.000.451SG386
ATOM386CGLU4825.22629.4963.1951.000.451SG387
ATOM387OGLU4825.64728.5532.5281.000.451SG388
ATOM388NTHR4926.08730.3653.7581.000.551SG389
ATOM389CATHR4927.42730.2513.2471.000.551SG390
ATOM390CBTHR4927.68431.3312.2351.000.551SG391
ATOM391OG1THR4928.93631.1661.5891.000.551SG392
ATOM392CG2THR4927.62932.6792.9681.000.551SG393
ATOM393CTHR4928.48230.3614.3101.000.551SG394
ATOM394OTHR4928.21330.6585.4731.000.551SG395
ATOM395NASN5029.73630.0903.8811.000.441SG396
ATOM396CAASN5030.93730.1094.6651.000.441SG397
ATOM397CBASN5031.92528.9904.2911.000.441SG398
ATOM398CGASN5031.33527.6654.7471.000.441SG399
ATOM399OD1ASN5031.04427.4815.9271.000.441SG400
ATOM400ND2ASN5031.15326.7153.7901.000.441SG401
ATOM401CASN5031.64831.4074.4371.000.441SG402
ATOM402OASN5031.03832.4724.3551.000.441SG403
ATOM403NSER5132.99031.3254.3291.000.251SG404
ATOM404CASER5133.84332.4734.2371.000.251SG405
ATOM405CBSER5135.32332.0994.0491.000.251SG406
ATOM406OGSER5135.50631.4652.7921.000.251SG407
ATOM407CSER5133.45533.3283.0731.000.251SG408
ATOM408OSER5133.33834.5453.2151.000.251SG409
ATOM409NSER5233.23432.7331.8871.000.141SG410
ATOM410CASER5232.90633.5750.7721.000.141SG411
ATOM411CBSER5233.75033.288−0.4811.000.141SG412
ATOM412OGSER5235.11633.578−0.2271.000.141SG413
ATOM413CSER5231.48033.3430.4061.000.141SG414
ATOM414OSER5231.03532.2040.2741.000.141SG415
ATOM415NLEU5330.70934.4370.2511.000.091SG416
ATOM416CALEU5329.34634.271−0.1501.000.091SG417
ATOM417CBLEU5328.31934.8890.8161.000.091SG418
ATOM418CGLEU5326.85634.6960.3681.000.091SG419
ATOM419CD2LEU5325.89335.4951.2591.000.091SG420
ATOM420CD1LEU5326.48233.2080.2981.000.091SG421
ATOM421CLEU5329.19534.941−1.4731.000.091SG422
ATOM422OLEU5329.47636.130−1.6191.000.091SG423
ATOM423NASN5428.76034.174−2.4881.000.091SG424
ATOM424CAASN5428.58434.749−3.7861.000.091SG425
ATOM425CBASN5429.34934.011−4.8971.000.091SG426
ATOM426CGASN5429.23434.837−6.1691.000.091SG427
ATOM427OD1ASN5428.77035.975−6.1451.000.091SG428
ATOM428ND2ASN5429.65834.244−7.3171.000.091SG429
ATOM429CASN5427.13734.629−4.1181.000.091SG430
ATOM430OASN5426.54433.562−3.9721.000.091SG431
ATOM431NILE5526.52235.736−4.5661.000.081SG432
ATOM432CAILE5525.14135.665−4.9221.000.081SG433
ATOM433CBILE5524.25836.575−4.1201.000.081SG434
ATOM434CG2ILE5524.34636.152−2.6441.000.081SG435
ATOM435CG1ILE5524.63638.044−4.3691.000.081SG436
ATOM436CD1ILE5523.60039.030−3.8321.000.081SG437
ATOM437CILE5525.03936.115−6.3371.000.081SG438
ATOM438OILE5525.77336.998−6.7791.000.081SG439
ATOM439NVAL5624.11935.493−7.0901.000.101SG440
ATOM440CAVAL5623.92235.858−8.4561.000.101SG441
ATOM441CBVAL5623.98534.683−9.3891.000.101SG442
ATOM442CG1VAL5623.61535.140−10.8101.000.101SG443
ATOM443CG2VAL5625.38334.050−9.2801.000.101SG444
ATOM444CVAL5622.54436.412−8.5321.000.101SG445
ATOM445OVAL5621.68636.071−7.7191.000.101SG446
ATOM446NASN5722.31237.292−9.5231.000.111SG447
ATOM447CAASN5721.03537.906−9.7061.000.111SG448
ATOM448CBASN5719.95336.958−10.2501.000.111SG449
ATOM449CGASN5718.80137.822−10.7471.000.111SG450
ATOM450OD1ASN5718.42038.801−10.1071.000.111SG451
ATOM451ND2ASN5718.23937.461−11.9321.000.111SG452
ATOM452CASN5720.57638.473−8.4041.000.111SG453
ATOM453OASN5719.54838.066−7.8651.000.111SG454
ATOM454NALA5821.35339.425−7.8501.000.211SG455
ATOM455CAALA5820.94540.022−6.6151.000.211SG456
ATOM456CBALA5821.88441.136−6.1181.000.211SG457
ATOM457CALA5819.60840.631−6.8711.000.211SG458
ATOM458OALA5819.39341.275−7.8971.000.211SG459
ATOM459NLYS5918.66040.414−5.9411.000.311SG460
ATOM460CALYS5917.32940.910−6.1231.000.311SG461
ATOM461CBLYS5916.23739.929−5.6641.000.311SG462
ATOM462CGLYS5916.17238.657−6.5111.000.311SG463
ATOM463CDLYS5915.84438.913−7.9851.000.311SG464
ATOM464CELYS5915.81237.638−8.8341.000.311SG465
ATOM465NZLYS5915.48537.972−10.2391.000.311SG466
ATOM466CLYS5917.15742.162−5.3311.000.311SG467
ATOM467OLYS5918.06842.622−4.6451.000.311SG468
ATOM468NPHE6015.94842.746−5.4311.000.231SG469
ATOM469CAPHE6015.59543.928−4.7041.000.231SG470
ATOM470CBPHE6014.16544.410−4.9991.000.231SG471
ATOM471CGPHE6013.85445.482−4.0111.000.231SG472
ATOM472CD1PHE6014.28946.773−4.2021.000.231SG473
ATOM473CD2PHE6013.11945.189−2.8851.000.231SG474
ATOM474CE1PHE6013.99847.753−3.2821.000.231SG475
ATOM475CE2PHE6012.82546.165−1.9621.000.231SG476
ATOM476CZPHE6013.26447.451−2.1611.000.231SG477
ATOM477CPHE6015.65643.581−3.2551.000.231SG478
ATOM478OPHE6016.05644.387−2.4171.000.231SG479
ATOM479NGLU6115.26542.337−2.9421.000.151SG480
ATOM480CAGLU6115.21541.816−1.6091.000.151SG481
ATOM481CBGLU6114.69940.370−1.6041.000.151SG482
ATOM482CGGLU6115.52139.448−2.5071.000.151SG483
ATOM483CDGLU6114.71338.185−2.7651.000.151SG484
ATOM484OE1GLU6114.02637.714−1.8201.000.151SG485
ATOM485OE2GLU6114.76137.681−3.9191.000.151SG486
ATOM486CGLU6116.59541.837−1.0281.000.151SG487
ATOM487OGLU6116.76942.0500.1701.000.151SG488
ATOM488NASP6217.61841.636−1.8771.000.161SG489
ATOM489CAASP6218.98341.538−1.4401.000.161SG490
ATOM490CBASP6219.96241.211−2.5821.000.161SG491
ATOM491CGASP6219.75139.749−2.9541.000.161SG492
ATOM492OD1ASP6218.94439.075−2.2591.000.161SG493
ATOM493OD2ASP6220.40139.282−3.9271.000.161SG494
ATOM494CASP6219.43742.801−0.7731.000.161SG495
ATOM495OASP6220.29942.7490.1001.000.161SG496
ATOM496NSER6318.90443.974−1.1681.000.201SG497
ATOM497CASER6319.35245.201−0.5651.000.201SG498
ATOM498CBSER6318.57846.439−1.0501.000.201SG499
ATOM499OGSER6317.21746.346−0.6551.000.201SG500
ATOM500CSER6319.19245.1090.9231.000.201SG501
ATOM501OSER6318.20144.5861.4301.000.201SG502
ATOM502NGLY6420.20345.6091.6651.000.221SG503
ATOM503CAGLY6420.16445.5613.0981.000.221SG504
ATOM504CGLY6421.57045.7013.5851.000.221SG505
ATOM505OGLY6422.47246.0322.8171.000.221SG506
ATOM506NGLU6521.79245.4474.8921.000.191SG507
ATOM507CAGLU6523.11545.5575.4361.000.191SG508
ATOM508CBGLU6523.19146.2146.8251.000.191SG509
ATOM509CGGLU6522.86947.7076.8451.000.191SG510
ATOM510CDGLU6523.12348.2058.2621.000.191SG511
ATOM511OE1GLU6522.72547.4969.2251.000.191SG512
ATOM512OE2GLU6523.73449.2998.4011.000.191SG513
ATOM513CGLU6523.64744.1765.6201.000.191SG514
ATOM514OGLU6522.90243.2455.9251.000.191SG515
ATOM515NTYR6624.97044.0095.4221.000.221SG516
ATOM516CATYR6625.57042.7205.5941.000.221SG517
ATOM517CBTYR6626.31242.2024.3481.000.221SG518
ATOM518CGTYR6625.30841.9923.2661.000.221SG519
ATOM519CD1TYR6624.94343.0312.4401.000.221SG520
ATOM520CD2TYR6624.72640.7593.0791.000.221SG521
ATOM521CE1TYR6624.01942.8421.4401.000.221SG522
ATOM522CE2TYR6623.80040.5632.0811.000.221SG523
ATOM523CZTYR6623.44641.6061.2601.000.221SG524
ATOM524OHTYR6622.49741.4070.2361.000.221SG525
ATOM525CTYR6626.58042.8286.6921.000.221SG526
ATOM526OTYR6627.25843.8456.8351.000.221SG527
ATOM527NLYS6726.68341.7687.5161.000.451SG528
ATOM528CALYS6727.61841.7538.6021.000.451SG529
ATOM529CBLYS6726.95342.0239.9581.000.451SG530
ATOM530CGLYS6726.34043.42010.0551.000.451SG531
ATOM531CDLYS6725.32443.56211.1881.000.451SG532
ATOM532CELYS6723.97442.91310.8711.000.451SG533
ATOM533NZLYS6723.32543.6289.7501.000.451SG534
ATOM534CLYS6728.18340.3718.6621.000.451SG535
ATOM535OLYS6727.56939.4218.1801.000.451SG536
ATOM536NCYS6829.39040.2289.2441.000.521SG537
ATOM537CACYS6830.00338.9359.3331.000.521SG538
ATOM538CBCYS6831.05938.7038.2501.000.521SG539
ATOM539SGCYS6832.11337.2918.6661.000.521SG540
ATOM540CCYS6830.75438.84010.6211.000.521SG541
ATOM541OCYS6831.29539.83011.1101.000.521SG542
ATOM542NGLN6930.79637.63111.2181.000.271SG543
ATOM543CAGLN6931.61037.46212.3821.000.271SG544
ATOM544CBGLN6930.85537.54913.7181.000.271SG545
ATOM545CGGLN6929.83336.43413.9271.000.271SG546
ATOM546CDGLN6929.29036.57515.3421.000.271SG547
ATOM547OE1GLN6929.84737.30616.1601.000.271SG548
ATOM548NE2GLN6928.17735.85315.6421.000.271SG549
ATOM549CGLN6932.22136.10312.3221.000.271SG550
ATOM550OGLN6931.74135.21411.6201.000.271SG551
ATOM551NHIS7033.33335.92813.0561.000.111SG552
ATOM552CAHIS7033.98834.66013.1451.000.111SG553
ATOM553ND1HIS7035.16633.59410.2521.000.111SG554
ATOM554CGHIS7035.39934.68811.0561.000.111SG555
ATOM555CBHIS7035.40534.63112.5511.000.111SG556
ATOM556NE2HIS7035.48635.3258.8941.000.111SG557
ATOM557CD2HIS7035.59335.73610.2111.000.111SG558
ATOM558CE1HIS7035.22934.0318.9701.000.111SG559
ATOM559CHIS7034.11034.37214.5991.009.111SG560
ATOM560OHIS7033.79335.21215.4381.000.111SG561
ATOM561NGLN7134.54133.14614.9381.000.121SG562
ATOM562CAGLN7134.68532.82216.3221.000.121SG563
ATOM563CBGLN7135.16931.37916.5531.000.121SG564
ATOM564CGGLN7134.16030.29816.1561.000.121SG565
ATOM565CDGLN7133.10030.21317.2461.000.121SG566
ATOM566OE1GLN7133.03831.05218.1431.000.121SG567
ATOM567NE2GLN7132.23729.16617.1711.000.121SG568
ATOM568CGLN7135.73133.73016.8801.000.121SG569
ATOM569OGLN7135.58034.27717.9701.000.121SG570
ATOM570NGLN7236.82733.91316.1231.000.211SG571
ATOM571CAGLN7237.95234.67516.5751.000.211SG572
ATOM572CBGLN7239.12934.61115.5871.000.211SG573
ATOM573CGGLN7239.53133.18215.2171.000.211SG574
ATOM574CDGLN7239.80532.40816.4981.000.211SG575
ATOM575OE1GLN7240.00132.98617.5661.000.211SG576
ATOM576NE2GLN7239.80931.05316.3901.000.211SG577
ATOM577CGLN7237.61236.12616.7231.000.211SG578
ATOM578OGLN7237.92736.73917.7411.000.211SG579
ATOM579NVAL7336.94336.71415.7121.000.311SG580
ATOM580CAVAL7336.75738.13715.7141.000.311SG581
ATOM581CBVAL7336.89138.74914.3491.000.311SG582
ATOM582CG1VAL7338.32938.52013.8521.000.311SG583
ATOM583CG2VAL7335.80938.15213.4331.000.311SG584
ATOM584CVAL7335.41938.53216.2451.000.311SG585
ATOM585OVAL7334.55637.70716.5411.000.311SG586
ATOM586NASN7435.25839.86416.3811.000.411SG587
ATOM587CAASN7434.07840.53516.8381.000.411SG588
ATOM588CBASN7434.38941.96617.3231.000.411SG589
ATOM589CGASN7433.21542.51518.1191.000.411SG590
ATOM590OD1ASN7432.22641.82318.3531.000.411SG591
ATOM591ND2ASN7433.32243.80418.5401.000.411SG592
ATOM592CASN7433.17740.63615.6471.000.411SG593
ATOM593OASN7433.38939.95914.6441.000.411SG594
ATOM594NGLU7532.11341.45715.7461.000.481SG595
ATOM595CAGLU7531.22041.64214.6411.000.481SG596
ATOM596CBGLU7529.87942.27115.0561.000.481SG597
ATOM597CGGLU7529.07241.39316.0141.000.481SG598
ATOM598CDGLU7528.50440.22915.2181.000.481SG599
ATOM599OE1GLU7528.42340.35413.9671.000.481SG600
ATOM600OE2GLU7528.14139.20015.8481.000.481SG601
ATOM601CGLU7531.88442.58813.6931.000.481SG602
ATOM602OGLU7532.61143.49114.1071.000.481SG603
ATOM603NSER7631.65742.38612.3811.000.421SG604
ATOM604CASER7632.23943.23011.3791.000.421SG605
ATOM605CBSER7632.35042.53910.0101.000.421SG606
ATOM606OGSER7632.91843.4279.0611.000.421SG607
ATOM607CSER7631.34644.41611.2081.000.421SG668
ATOM608OSER7630.18244.38811.6041.000.421SG609
ATOM609NGLU7731.88445.50910.6271.000.311SG610
ATOM610CAGLU7731.05946.65710.3961.000.311SG611
ATOM611CBGLU7731.81347.9089.9151.000.311SG612
ATOM612CGGLU7732.85648.43110.8981.000.311SG613
ATOM613CDGLU7734.14447.68110.6081.000.311SG614
ATOM614OE1GLU7734.41647.4309.4031.000.311SG615
ATOM615OE2GLU7734.87147.34811.5811.000.311SG616
ATOM616CGLU7730.14946.2809.2781.000.311SG617
ATOM617OGLU7730.49345.4708.4191.000.311SG618
ATOM618NPRO7828.97846.8399.2961.000.291SG619
ATOM619CAPRO7828.04646.5058.2571.000.291SG620
ATOM620CDPRO7828.30947.03710.5731.000.291SG621
ATOM621CBPRO7826.66346.8468.8061.000.291SG622
ATOM622CGPRO7826.83046.70110.3281.000.291SG623
ATOM623CPRO7828.34947.1786.9591.000.291SG624
ATOM624OPRO7828.95648.2486.9581.000.291SG625
ATOM625NVAL7927.94546.5395.8451.000.311SG626
ATOM626CAVAL7928.07547.1004.5361.000.311SG627
ATOM627CBVAL7928.86146.2423.5901.000.311SG628
ATOM628CG1VAL7928.17144.8723.4801.000.311SG629
ATOM629CG2VAL7928.98346.9832.2471.000.311SG630
ATOM630CVAL7926.67847.1814.0201.000.311SG631
ATOM631OVAL7925.89946.2454.1931.000.311SG632
ATOM632NTYR8026.30548.3063.3811.000.191SG633
ATOM633CATYR8024.94648.3852.9371.000.191SG634
ATOM634CBTYR8024.25649.7293.2351.000.191SG635
ATOM635CGTYR8022.81349.5532.9051.000.191SG636
ATOM636CD1TYR8022.34649.7561.6261.000.191SG637
ATOM637CD2TYR8021.92649.1723.8861.000.191SG638
ATOM638CE1TYR8021.01349.5861.3331.000.191SG639
ATOM639CE2TYR8020.59349.0003.6001.000.191SG640
ATOM640CZTYR8020.13549.2092.3221.000.191SG641
ATOM641OHTYR8018.76749.0332.0231.000.191SG642
ATOM642CTYR8024.94048.1881.4591.000.191SG643
ATOM643OTYR8025.74548.7710.7341.000.191SG644
ATOM644NLEU8124.02147.3320.9791.000.081SG645
ATOM645CALEU8123.95047.054−0.4241.000.081SG646
ATOM646CBLEU8124.02445.551−0.7401.000.081SG647
ATOM647CGLEU8123.95045.230−2.2431.000.081SG648
ATOM648CD2LEU8123.76343.724−2.4841.000.081SG649
ATOM649CD1LEU8125.15745.810−2.9961.000.081SG650
ATOM650CLEU8122.63247.548−0.9231.000.081SG651
ATOM651OLEU8121.61147.411−0.2511.000.081SG652
ATOM652NGLU8222.63348.166−2.1191.000.091SG653
ATOM653CAGLU8221.41748.652−2.6961.000.091SG654
ATOM654CBGLU8221.42450.176−2.9091.000.091SG655
ATOM655CGGLU8221.48450.982−1.6101.000.091SG656
ATOM656CDGLU8221.72452.442−1.9721.000.091SG657
ATOM657OE1GLU8221.17852.895−3.0141.000.091SG658
ATOM658OE2GLU8222.46753.122−1.2161.000.091SG659
ATOM659CGLU8221.31748.028−4.0481.000.091SG660
ATOM660OGLU8222.27348.049−4.8221.000.091SG661
ATOM661NVAL8320.15147.442−4.3691.000.091SG662
ATOM662CAVAL8319.99946.839−5.6591.000.091SG663
ATOM663CBVAL8319.49345.431−5.6021.000.091SG664
ATOM664CG1VAL8320.53344.566−4.8711.000.091SG665
ATOM665CG2VAL8318.11145.445−4.9311.000.091SG666
ATOM666CVAL8318.97447.642−6.3831.000.091SG667
ATOM667OVAL8317.97348.052−5.7971.000.091SG668
ATOM668NPHE8419.20747.907−7.6821.000.231SG669
ATOM669CAPHE8418.25748.698−8.4031.000.231SG670
ATOM670CBPHE8418.80550.055−8.8731.000.231SG671
ATOM671CGPHE8419.45050.743−7.7231.000.231SG672
ATOM672CD1PHE8418.71551.444−6.7991.000.231SG673
ATOM673CD2PHE8420.81250.670−7.5671.000.231SG674
ATOM674CE1PHE8419.32852.069−5.7401.000.231SG675
ATOM675CE2PHE8421.42851.294−6.5101.000.231SG676
ATOM676CZPHE8420.68951.999−5.5941.000.231SG677
ATOM677CPHE8417.96647.967−9.6681.000.231SG678
ATOM678OPHE8418.75047.124−10.1011.000.231SG679
ATOM679NSER8516.80248.247−10.2831.000.341SG680
ATOM680CASER8516.54447.653−11.5581.000.341SG681
ATOM681CBSER8515.24846.824−11.6111.000.341SG682
ATOM682OGSER8514.12147.637−11.3261.000.341SG683
ATOM683CSER8516.43948.779−12.5381.000.341SG684
ATOM684OSER8515.40349.431−12.6561.000.341SG685
ATOM685NASP8617.53849.042−13.2671.000.231SG686
ATOM686CAASP8617.54250.101−14.2321.000.231SG687
ATOM687CBASP8618.14451.413−13.7021.000.231SG688
ATOM688CGASP8617.18251.997−12.6781.000.231SG689
ATOM689OD1ASP8615.94951.949−12.9311.000.231SG690
ATOM690OD2ASP8617.66752.492−11.6251.000.231SG691
ATOM691CASP8618.41349.652−15.3561.000.231SG692
ATOM692OASP8619.18948.709−15.2131.000.231SG693
ATOM693NTRP8718.28050.297−16.5291.000.141SG694
ATOM694CATRP8719.11649.918−17.6261.000.141SG695
ATOM695CBTRP8718.69650.502−18.9821.000.141SG696
ATOM696CGTRP8717.55249.733−19.5891.000.141SG697
ATOM697CD2TRP8717.71148.410−20.1241.000.141SG698
ATOM698CD1TRP8716.23450.051−19.7271.000.141SG699
ATOM699NE1TRP8715.56249.008−20.3221.000.141SG700
ATOM700CE2TRP8716.46047.990−20.5701.000.141SG701
ATOM701CE3TRP8718.81347.610−20.2301.000.141SG702
ATOM702CZ2TRP8716.28946.756−21.1331.000.141SG703
ATOM703CZ3TRP8718.64046.369−20.8011.000.141SG704
ATOM704CH2TRP8717.40245.949−21.2441.000.141SG705
ATOM705CTRP8720.53550.295−17.3641.000.141SG706
ATOM706OTRP8721.44349.504−17.6071.000.141SG707
ATOM707NLEU8820.77251.514−16.8471.000.121SG708
ATOM708CALEU8822.12851.938−16.6491.000.121SG709
ATOM709CBLEU8822.57152.993−17.6791.000.121SG710
ATOM710CGLEU8824.02453.484−17.5211.000.121SG711
ATOM711CD2LEU8824.27754.759−18.3431.000.121SG712
ATOM712CD1LEU8825.03852.377−17.8301.000.121SG713
ATOM713CLEU8822.22452.584−15.3071.000.121SG714
ATOM714OLEU8821.27853.228−14.8561.000.121SG715
ATOM715NLEU8923.37452.412−14.6221.000.111SG716
ATOM716CALEU8923.53553.058−13.3521.000.111SG717
ATOM717CBLEU8923.29852.139−12.1381.000.111SG718
ATOM718CGLEU8923.48152.831−10.7741.000.111SG719
ATOM719CD2LEU8923.51151.805−9.6291.000.111SG720
ATOM720CD1LEU8922.42853.934−10.5601.000.111SG721
ATOM721CLEU8924.95153.524−13.2651.000.111SG722
ATOM722OLEU8925.84752.949−13.8821.000.111SG723
ATOM723NLEU9025.18254.611−12.5071.000.111SG724
ATOM724CALEU9026.52855.046−12.3101.000.111SG725
ATOM725CBLEU9026.68856.576−12.2421.000.111SG726
ATOM726CGLEU9028.14657.033−12.0471.000.111SG727
ATOM727CD2LEU9028.22858.537−11.7411.000.111SG728
ATOM728CD1LEU9029.01356.629−13.2501.000.111SG729
ATOM729CLEU9026.87554.478−10.9751.000.111SG730
ATOM730OLEU9026.16754.707−9.9961.000.111SG731
ATOM731NGLN9127.97253.704−10.9031.000.111SG732
ATOM732CAGLN9128.25553.028−9.6741.000.111SG733
ATOM733CBGLN9128.61951.545−9.8801.000.111SG734
ATOM734CGGLN9127.48250.714−10.4841.000.111SG735
ATOM735CDGLN9127.98049.285−10.6691.000.111SG736
ATOM736OE1GLN9129.13649.064−11.0261.000.111SG737
ATOM737NE2GLN9127.08948.288−10.4191.000.111SG738
ATOM738CGLN9129.41353.684−9.0041.000.111SG739
ATOM739OGLN9130.32954.186−9.6541.000.111SG740
ATOM740NALA9229.37053.720−7.6581.000.181SG741
ATOM741CAALA9230.44654.291−6.9091.000.181SG742
ATOM742CBALA9230.13455.687−6.3461.000.181SG743
ATOM743CALA9230.70353.398−5.7431.000.181SG744
ATOM744OALA9229.79752.745−5.2311.000.181SG745
ATOM745NSER9331.97553.316−5.3191.000.251SG746
ATOM746CASER9332.31452.505−4.1921.000.251SG747
ATOM747CBSER9333.83052.393−3.9911.000.251SG748
ATOM748OGSER9334.11051.577−2.8651.000.251SG749
ATOM749CSER9331.72953.125−2.9611.000.251SG750
ATOM750OSER9331.11352.443−2.1441.000.251SG751
ATOM751NALA9431.89854.454−2.7981.000.191SG752
ATOM752CAALA9431.39355.085−1.6111.000.191SG753
ATOM753CBALA9432.46955.303−0.5341.000.191SG754
ATOM754CALA9430.84356.428−1.9711.000.191SG755
ATOM755OALA9431.28557.069−2.9231.000.191SG756
ATOM756NGLU9529.81456.855−1.2161.000.121SG757
ATOM757CAGLU9529.16958.121−1.4001.000.121SG758
ATOM758CBGLU9527.88858.222−0.5531.000.121SG759
ATOM759CGGLU9526.82357.198−0.9631.000.121SG760
ATOM760CDGLU9525.74357.1510.1081.000.121SG761
ATOM761OE1GLU9525.71458.0730.9661.000.121SG762
ATOM762OE2GLU9524.93056.1880.0801.000.121SG763
ATOM763CGLU9530.09659.221−0.9831.000.121SG764
ATOM764OGLU9530.23060.228−1.6761.000.121SG765
ATOM765NVAL9630.78059.0470.1641.000.111SG766
ATOM766CAVAL9631.62660.0970.6521.000.111SG767
ATOM767CBVAL9631.35560.4622.0801.000.111SG768
ATOM768CG1VAL9632.36761.5372.5161.000.111SG769
ATOM769CG2VAL9629.88660.9032.1911.000.111SG770
ATOM770CVAL9633.03959.6380.5731.000.111SG771
ATOM771OVAL9633.33658.4550.7371.000.111SG772
ATOM772NVAL9733.95460.5870.3031.000.101SG773
ATOM773CAVAL9735.33960.2540.1751.000.101SG774
ATOM774CBVAL9735.82660.312−1.2431.000.101SG775
ATOM775CG1VAL9735.07859.249−2.0621.000.101SG776
ATOM776CG2VAL9735.64261.745−1.7681.000.101SG777
ATOM777CVAL9736.11961.2710.9311.000.101SG778
ATOM778OVAL9735.60362.3231.3001.000.101SG779
ATOM779NMET9837.40260.9621.1851.000.121SG780
ATOM780CAMET9838.26361.8681.8791.000.121SG781
ATOM781CBMET9839.29561.1452.7621.000.121SG782
ATOM782CGMET9838.65160.2613.8351.000.121SG783
ATOM783SDMET9837.73561.1565.1271.000.121SG784
ATOM784CEMET9839.18161.4476.1841.000.121SG785
ATOM785CMET9839.00862.5830.8021.000.121SG786
ATOM786OMET9839.18862.048−0.2901.000.121SG787
ATOM787NGLU9939.44063.8301.0571.000.101SG788
ATOM788CAGLU9940.13064.5070.0021.000.101SG789
ATOM789CBGLU9940.44965.9860.2861.000.101SG790
ATOM790CGGLU9941.11266.684−0.9061.000.101SG791
ATOM791CDGLU9941.40568.130−0.5331.000.101SG792
ATOM792OE1GLU9940.50068.7970.0341.000.101SG793
ATOM793OE2GLU9942.54668.586−0.8121.000.101SG794
ATOM794CGLU9941.42763.806−0.2111.000.101SG795
ATOM795OGLU9942.05663.3300.7331.000.101SG796
ATOM796NGLY10041.84663.711−1.4861.000.201SG797
ATOM797CAGLY10043.09763.098−1.8031.000.201SG798
ATOM798CGLY10042.85861.680−2.1981.000.201SG799
ATOM799OGLY10043.71861.061−2.8221.000.201SG800
ATOM800NGLN10141.68661.111−1.8601.000.501SG801
ATOM801CAGLN10141.51959.748−2.2611.000.501SG802
ATOM802CBGLN10140.58958.891−1.3791.000.501SG803
ATOM803CGGLN10139.11959.298−1.3321.000.501SG804
ATOM804CDGLN10138.41658.229−0.4991.000.501SG805
ATOM805OE1GLN10137.20458.040−0.5741.000.501SG806
ATOM806NE2GLN10139.21357.4890.3181.000.501SG807
ATOM807CGLN10141.04659.724−3.6721.000.501SG808
ATOM808OGLN10140.44660.674−4.1761.000.501SG809
ATOM809NPRO10241.37558.654−4.3321.000.571SG810
ATOM810CAPRO10240.96458.525−5.6981.000.571SG811
ATOM811CDPRO10242.66858.028−4.0981.000.571SG812
ATOM812CBPRO10241.87357.469−6.3211.000.571SG813
ATOM813CGPRO10243.15657.556−5.4781.000.571SG814
ATOM814CPRO10239.51858.180−5.7641.000.571SG815
ATOM815OPRO10239.02157.507−4.8641.000.571SG816
ATOM816NLEU10338.82358.637−6.8181.000.261SG817
ATOM817CALEU10337.44658.299−6.9671.000.261SG818
ATOM818CBLEU10336.52959.508−7.2251.000.261SG819
ATOM819CGLEU10335.04359.129−7.3831.000.261SG820
ATOM820CD2LEU10334.22160.312−7.9201.000.261SG821
ATOM821CD1LEU10334.47358.542−6.0821.000.261SG822
ATOM822CLEU10337.36657.422−8.1641.000.261SG823
ATOM823OLEU10337.94057.728−9.2071.000.261SG824
ATOM824NPHE10436.67456.279−8.0321.000.081SG825
ATOM825CAPHE10436.54255.422−9.1681.000.081SG826
ATOM826CBPHE10437.07353.998−8.9311.000.081SG827
ATOM827CGPHE10437.00153.256−10.2221.000.081SG828
ATOM828CD1PHE10437.98153.414−11.1761.000.081SG829
ATOM829CD2PHE10435.96152.393−10.4761.000.081SG830
ATOM830CE1PHE10437.91952.727−12.3651.000.081SG831
ATOM831CE2PHE10435.89251.703−11.6641.000.081SG832
ATOM832CZPHE10436.87351.871−12.6111.000.081SG833
ATOM833CPHE10435.08155.331−9.4411.000.081SG834
ATOM834OPHE10434.28255.127−8.5281.000.081SG835
ATOM835NLEU10534.69155.515−10.7151.000.101SG836
ATOM836CALEU10533.30655.440−11.0621.000.101SG837
ATOM837CBLEU10532.70556.779−11.5241.000.101SG838
ATOM838CGLEU10532.67857.865−10.4321.000.101SG839
ATOM839CD2LEU10532.01557.352−9.1441.000.101SG840
ATOM840CD1LEU10532.04559.163−10.9581.000.101SG841
ATOM841CLEU10533.20354.497−12.2081.000.101SG842
ATOM842OLEU10534.17354.269−12.9291.000.101SG843
ATOM843NARG10632.01453.900−12.3891.000.151SG844
ATOM844CAARG10631.86652.960−13.4521.000.151SG845
ATOM845CBARG10632.02651.519−12.9381.000.151SG846
ATOM846CGARG10631.89150.409−13.9771.000.151SG847
ATOM847CDARG10632.27349.049−13.3871.000.151SG848
ATOM848NEARG10632.03548.004−14.4201.000.151SG849
ATOM849CZARG10631.10847.032−14.1871.000.151SG850
ATOM850NH1ARG10630.41947.031−13.0091.000.151SG851
ATOM851NH2ARG10630.89546.057−15.1191.000.151SG852
ATOM852CARG10630.49153.116−14.0051.000.151SG853
ATOM853OARG10629.53153.327−13.2651.000.151SG854
ATOM854NCYS10730.36353.038−15.3421.000.161SG855
ATOM855CACYS10729.05953.096−15.9241.000.161SG856
ATOM856CBCYS10729.00553.868−17.2551.000.161SG857
ATOM857SGCYS10729.60755.572−17.0681.000.161SG858
ATOM858CCYS10728.73051.668−16.1901.000.161SG859
ATOM859OCYS10729.44250.988−16.9271.000.161SG860
ATOM860NHIS10827.64851.164−15.5721.000.111SG861
ATOM861CAHIS10827.36549.768−15.7051.000.111SG862
ATOM862ND1HIS10825.86746.991−14.3431.000.111SG863
ATOM863CGHIS10827.11347.571−14.4171.000.111SG864
ATOM864CBHIS10827.34949.051−14.3431.000.111SG865
ATOM865NE2HIS10827.32945.329−14.5421.000.111SG866
ATOM866CD2HIS10827.99546.542−14.5411.000.111SG867
ATOM867CE1HIS10826.05545.649−14.4201.000.111SG868
ATOM868CHIS10826.03349.600−16.3501.000.111SG869
ATOM869OHIS10825.07850.307−16.0331.000.111SG870
ATOM870NGLY10925.94948.636−17.2871.000.091SG871
ATOM871CAGLY10924.72248.381−17.9761.000.091SG872
ATOM872CGLY10924.14847.131−17.4031.000.091SG873
ATOM873OGLY10924.87046.270−16.9041.000.091SG874
ATOM874NTRP11022.81247.003−17.4691.000.321SG875
ATOM875CATRP11022.15045.862−16.9191.000.321SG876
ATOM876CBTRP11020.62346.057−16.8441.000.321SG877
ATOM877CGTRP11019.84344.901−16.2691.000.321SG878
ATOM878CD2TRP11018.94444.087−17.0341.000.321SG879
ATOM879CD1TRP11019.78244.442−14.9851.000.321SG880
ATOM880NE1TRP11018.90443.387−14.9051.000.321SG881
ATOM881CE2TRP11018.37743.161−16.1581.000.321SG882
ATOM882CE3TRP11018.61344.112−18.3581.000.321SG883
ATOM883CZ2TRP11017.46742.241−16.5951.000.321SG884
ATOM884CZ3TRP11017.69643.185−18.7961.000.321SG885
ATOM885CH2TRP11017.13442.268−17.9321.000.321SG886
ATOM886CTRP11022.46944.684−17.7831.000.321SG887
ATOM887OTRP11022.61244.803−18.9991.000.321SG888
ATOM888NARG11122.62243.507−17.1461.000.531SG889
ATOM889CAARG11122.94842.292−17.8351.000.531SG890
ATOM890CBARG11121.89141.812−18.8461.000.531SG891
ATOM891CGARG11120.72841.061−18.2021.000.531SG892
ATOM892CDARG11119.97040.150−19.1761.000.531SG893
ATOM893NEARG11119.08140.997−20.0191.000.531SG894
ATOM894CZARG11118.50740.481−21.1451.000.531SG895
ATOM895NH1ARG11118.81339.213−21.5501.000.531SG896
ATOM896NH2ARG11117.64941.243−21.8851.000.531SG897
ATOM897CARG11124.23242.460−18.5811.000.531SG898
ATOM898OARG11124.53241.678−19.4821.000.531SG899
ATOM899NASN11225.03843.468−18.2041.000.331SG900
ATOM900CAASN11226.31143.678−18.8301.000.331SG901
ATOM901CBASN11227.33542.576−18.5041.000.331SG902
ATOM902CGASN11227.73142.721−17.0461.000.331SG903
ATOM903OD1ASN11228.05243.819−16.5941.000.331SG904
ATOM904ND2ASN11227.70241.592−16.2881.000.331SG905
ATOM905CASN11226.15343.727−20.3151.000.331SG906
ATOM906OASN11226.93343.116−21.0461.000.331SG907
ATOM907NTRP11325.14644.464−20.8171.000.131SG908
ATOM908CATRP11325.01544.533−22.2401.000.131SG909
ATOM909CBTRP11323.66945.100−22.7221.000.131SG910
ATOM910CGTRP11322.49344.191−22.4441.000.131SG911
ATOM911CD2TRP11322.22842.976−23.1651.000.131SG912
ATOM912CD1TRP11321.50944.306−21.5041.000.131SG913
ATOM913NE1TRP11320.64043.244−21.6021.000.131SG914
ATOM914CE2TRP11321.07542.416−22.6191.000.131SG915
ATOM915CE3TRP11322.89542.373−24.1951.000.131SG916
ATOM916CZ2TRP11320.57141.241−23.1021.000.131SG917
ATOM917CZ3TRP11322.37941.191−24.6791.000.131SG918
ATOM918CH2TRP11321.23840.635−24.1421.000.131SG919
ATOM919CTRP11326.11945.405−22.7421.000.131SG920
ATOM920OTRP11326.65446.236−22.0111.000.131SG921
ATOM921NASP11426.49645.227−24.0221.000.121SG922
ATOM922CAASP11427.58845.975−24.5711.000.121SG923
ATOM923CBASP11427.84145.683−26.0591.000.121SG924
ATOM924CGASP11428.30444.241−26.1891.000.121SG925
ATOM925OD1ASP11429.31443.875−25.5311.000.121SG926
ATOM926OD2ASP11427.65243.486−26.9581.000.121SG927
ATOM927CASP11427.24847.423−24.4741.000.121SG928
ATOM928OASP11426.13847.838−24.8031.000.121SG929
ATOM929NVAL11528.21248.232−23.9991.000.211SG930
ATOM930CAVAL11527.97249.637−23.8841.000.211SG931
ATOM931CBVAL11527.89650.121−22.4661.000.211SG932
ATOM932CG1VAL11527.64351.639−22.4811.000.211SG933
ATOM933CG2VAL11526.81349.317−21.7281.000.211SG934
ATOM934CVAL11529.12850.336−24.5161.000.211SG935
ATOM935OVAL11530.26549.873−24.4491.000.211SG936
ATOM936NTYR11628.84851.473−25.1721.000.441SG937
ATOM937CATYR11629.88052.234−25.8041.000.441SG938
ATOM938CBTYR11630.06251.874−27.2831.000.441SG939
ATOM939CGTYR11628.71252.007−27.8831.000.441SG940
ATOM940CD1TYR11628.27953.200−28.3991.000.441SG941
ATOM941CD2TYR11627.86450.929−27.9021.000.441SG942
ATOM942CE1TYR11627.02353.311−28.9451.000.441SG943
ATOM943CE2TYR11626.60751.031−28.4451.000.441SG944
ATOM944CZTYR11626.18352.225−28.9711.000.441SG945
ATOM945OHTYR11624.89252.332−29.5301.000.441SG946
ATOM946CTYR11629.46453.663−25.7121.000.441SG947
ATOM947OTYR11628.35953.962−25.2631.000.441SG948
ATOM948NLYS11730.35354.580−26.1421.000.451SG949
ATOM949CALYS11730.08055.988−26.0731.000.451SG950
ATOM950CBLYS11729.01956.496−27.0641.000.451SG951
ATOM951CGLYS11729.51956.616−28.5011.000.451SG952
ATOM952CDLYS11728.44357.089−29.4791.000.451SG953
ATOM953CELYS11728.98857.432−30.8651.000.451SG954
ATOM954NZLYS11729.03556.215−31.7051.000.451SG955
ATOM955CLYS11729.60656.330−24.7021.000.451SG956
ATOM956OLYS11728.45356.713−24.5131.000.451SG957
ATOM957NVAL11830.49756.195−23.7041.000.211SG958
ATOM958CAVAL11830.12256.475−22.3521.000.211SG959
ATOM959CBVAL11830.76155.541−21.3701.000.211SG960
ATOM960CG1VAL11830.41956.016−19.9531.000.211SG961
ATOM961CG2VAL11830.29454.109−21.6781.000.211SG962
ATOM962CVAL11830.57957.856−22.0121.000.211SG963
ATOM963OVAL11831.68858.262−22.3541.000.211SG964
ATOM964NILE11929.70458.631−21.3401.000.091SG965
ATOM965CAILE11930.08359.955−20.9511.000.091SG966
ATOM966CBILE11929.29861.032−21.6371.000.091SG967
ATOM967CG2ILE11929.72462.381−21.0351.000.091SG968
ATOM968CG1ILE11929.49060.945−23.1591.000.091SG969
ATOM969CD1ILE11928.50961.812−23.9471.000.091SG970
ATOM970CILE11929.82160.088−19.4881.000.091SG971
ATOM971OILE11928.82759.579−18.9721.000.091SG972
ATOM972NTYR12030.73760.771−18.7781.000.091SG973
ATOM973CATYR12030.56061.006−17.3781.000.091SG974
ATOM974CBTYR12031.82060.775−16.5251.000.091SG975
ATOM975CGTYR12031.97059.317−16.2611.000.091SG976
ATOM976CD1TYR12032.53058.457−17.1781.000.091SG977
ATOM977CD2TYR12031.54058.817−15.0541.000.091SG978
ATOM978CE1TYR12032.65257.117−16.8851.000.091SG979
ATOM979CE2TYR12031.65957.483−14.7551.000.091SG980
ATOM980CZTYR12032.21756.631−15.6731.000.091SG981
ATOM981OHTYR12032.33555.263−15.3551.000.091SG982
ATOM982CTYR12030.17662.434−17.2201.000.091SG983
ATOM983OTYR12030.75063.318−17.8551.000.091SG984
ATOM984NTYR12129.16362.691−16.3721.000.181SG985
ATOM985CATYR12128.72364.038−16.1931.000.181SG986
ATOM986CBTYR12127.25864.245−16.5991.000.181SG987
ATOM987CGTYR12127.15063.949−18.0561.000.181SG988
ATOM988CD1TYR12127.37764.931−18.9931.000.181SG989
ATOM989CD2TYR12126.82462.683−18.4861.000.181SG990
ATOM990CE1TYR12127.27564.654−20.3371.000.181SG991
ATOM991CE2TYR12126.72062.402−19.8271.000.181SG992
ATOM992CZTYR12126.94263.389−20.7561.000.181SG993
ATOM993OHTYR12126.83463.101−22.1331.000.181SG994
ATOM994CTYR12128.82964.371−14.7401.000.181SG995
ATOM995OTYR12128.54163.547−13.8741.000.181SG996
ATOM996NLYS12229.28465.605−14.4561.000.281SG997
ATOM997CALYS12229.42866.129−13.1341.000.281SG998
ATOM998CBLYS12230.88066.537−12.8181.000.281SG999
ATOM999CGLYS12231.13766.957−11.3691.000.281SG1000
ATOM1000CDLYS12232.60867.287−11.0951.000.281SG1001
ATOM1001CELYS12233.59166.393−11.8551.000.281SG1002
ATOM1002NZLYS12234.98566.786−11.5411.000.281SG1003
ATOM1003CLYS12228.64167.394−13.1431.000.281SG1004
ATOM1004OLYS12229.02368.358−13.8041.000.281SG1005
ATOM1005NASP12327.51767.417−12.4081.000.201SG1006
ATOM1006CAASP12326.69868.590−12.3491.000.201SG1007
ATOM1007CBASP12327.34269.736−11.5551.000.201SG1008
ATOM1008CGASP12327.30069.305−10.0961.000.201SG1009
ATOM1009OD1ASP12326.40768.486−9.7501.000.201SG1010
ATOM1010OD2ASP12328.15969.781−9.3101.000.201SG1011
ATOM1011CASP12326.37369.035−13.7391.000.201SG1012
ATOM1012OASP12326.27570.230−14.0181.000.201SG1013
ATOM1013NGLY12426.19668.062−14.6521.000.171SG1014
ATOM1014CAGLY12425.78468.369−15.9901.000.171SG1015
ATOM1015CGLY12426.96968.690−16.8401.000.171SG1016
ATOM1016OGLY12426.81869.053−18.0061.000.171SG1017
ATOM1017NGLU12528.18968.566−16.2931.000.241SG1018
ATOM1018CAGLU12529.32268.878−17.1101.000.241SG1019
ATOM1019CBGLU12530.36569.739−16.3861.000.241SG1020
ATOM1020CGGLU12531.38170.369−17.3311.000.241SG1021
ATOM1021CDGLU12532.33471.210−16.4971.000.241SG1022
ATOM1022OE1GLU12532.59670.818−15.3281.000.241SG1023
ATOM1023OE2GLU12532.80772.256−17.0151.000.241SG1024
ATOM1024CGLU12529.96167.582−17.4821.000.241SG1025
ATOM1025OGLU12530.16566.716−16.6371.000.241SG1026
ATOM1026NALA12630.30667.396−18.7661.000.261SG1027
ATOM1027CAALA12630.86066.125−19.1301.000.261SG1028
ATOM1028CBALA12630.79065.834−20.6391.000.261SG1029
ATOM1029CALA12632.30266.112−18.7411.000.261SG1030
ATOM1030OALA12633.11466.845−19.3021.000.261SG1031
ATOM1031NLEU12732.64565.289−17.7311.000.391SG1032
ATOM1032CALEU12734.00865.183−17.3021.000.391SG1033
ATOM1033CBLEU12734.17964.277−16.0741.000.391SG1034
ATOM1034CGLEU12733.48264.807−14.8121.000.391SG1035
ATOM1035CD2LEU12733.88163.986−13.5761.000.391SG1036
ATOM1036CD1LEU12731.96064.884−15.0101.000.391SG1037
ATOM1037CLEU12734.79664.549−18.4001.000.391SG1038
ATOM1038OLEU12735.84065.061−18.8001.000.391SG1039
ATOM1039NLYS12834.30463.411−18.9331.000.431SG1040
ATOM1040CALYS12835.06262.772−19.9661.000.431SG1041
ATOM1041CBLYS12836.12061.788−19.4431.000.431SG1042
ATOM1042CGLYS12835.51260.519−18.8441.000.431SG1043
ATOM1043CDLYS12836.52859.394−18.6421.000.431SG1044
ATOM1044CELYS12835.89058.054−18.2791.000.431SG1045
ATOM1045NZLYS12835.16157.519−19.4511.000.431SG1046
ATOM1046CLYS12834.13561.974−20.8201.000.431SG1047
ATOM1047OLYS12833.04861.582−20.3981.000.431SG1048
ATOM1048NTYR12934.55761.737−22.0751.000.261SG1049
ATOM1049CATYR12933.81160.931−22.9931.000.261SG1050
ATOM1050CBTYR12933.13561.748−24.1081.000.261SG1051
ATOM1051CGTYR12932.75360.810−25.2011.000.261SG1052
ATOM1052CD1TYR12931.64559.997−25.1091.000.261SG1053
ATOM1053CD2TYR12933.52460.758−26.3391.000.261SG1054
ATOM1054CE1TYR12931.32059.142−26.1391.000.261SG1055
ATOM1055CE2TYR12933.20559.908−27.3691.000.261SG1056
ATOM1056CZTYR12932.10159.099−27.2711.000.261SG1057
ATOM1057OHTYR12931.77958.229−28.3321.000.261SG1058
ATOM1058CTYR12934.77859.999−23.6471.000.261SG1059
ATOM1059OTYR12935.82460.422−24.1351.000.261SG1060
ATOM1060NTRP13034.46258.689−23.6531.000.161SG1061
ATOM1061CATRP13035.33357.766−24.3191.000.161SG1062
ATOM1062CBTRP13036.31757.060−23.3761.000.161SG1063
ATOM1063CGTRP13037.41556.304−24.0851.000.161SG1064
ATOM1064CD2TRP13038.74356.820−24.2631.000.161SG1065
ATOM1065CD1TRP13037.41155.054−24.6301.000.161SG1066
ATOM1066NE1TRP13038.65154.765−25.1461.000.161SG1067
ATOM1067CE2TRP13039.48155.840−24.9231.000.161SG1068
ATOM1068CE3TRP13039.30458.011−23.9001.000.161SG1069
ATOM1069CZ2TRP13040.79756.035−25.2321.000.161SG1070
ATOM1070CZ3TRP13040.63158.206−24.2181.000.161SG1071
ATOM1071CH2TRP13041.36457.237−24.8721.000.161SG1072
ATOM1072CTRP13034.44556.710−24.8941.000.161SG1073
ATOM1073OTRP13033.46256.312−24.2701.000.161SG1074
ATOM1074NTYR13134.74256.241−26.1201.000.171SG1075
ATOM1075CATYR13133.87655.242−26.6711.000.171SG1076
ATOM1076CBTYR13134.25654.830−28.1021.000.171SG1077
ATOM1077CGTYR13133.89755.923−29.0451.000.171SG1078
ATOM1078CD1TYR13134.67757.051