-
This application is a divisional of Ser. No. 10/495,218, filed Jul. 13, 2004, which is a 371 U.S. National Stage of International Application No. PCT/JP02/09994, filed Sep. 27, 2002, incorporated by reference in their entirety.
BACKGROUND OF THE INVENTION
-
The present invention relates to three-dimensional structures of hematopoietic prostaglandin D synthase (which may refer to as “PGDS” hereinafter), and a method for designing PGDS inhibitor using the three-dimensional structures.
-
Prostaglandin D2 (PGD2) is synthesized in vivo by PGDS from prostaglandin H2 (PGH2). There are two types of PGDS, i.e., brain-type PGDS and hematopoietic PGDS. Hematopoietic PGDS absolutely requires glutathione for enzymatic reactions while brain-type PGDS also causes enzymatic reactions in the presence of thiol reagents other than glutathione.
-
PGD2 is synthesized in the central nervous system by brain-type PGDS, and has functions of sleep induction, thermodepression, inhibition of secretion of corpus luteum hormone and control of responses to pain and odor. PGD2 is synthesized in peripheral tissue by hematopoietic PGDS, and is known to have physiological functions including dilation of peripheral blood vessels, bronchoconstruction, and inhibition of platelet coagulation. It also acts as an allergic mediator released from mast cells (Lewis, R. A., Soter, N. A., Diamond, P. T., Austen, K. F., Oates, J. A. & Roberts, L. J. Prostaglandin D2 generation after activation of rat and human mast cells with anti-IgE. J. Immunol., 129, 1627-1631 (1982)). It has been reported that allergic reaction is significantly reduced in knockout mouse lacking prostaglandin D2 receptor protein (DP receptor) (Matsuoka, T., Hirata, M., Tanaka, H., Takahashi, Y., Murata, T., Kabashima, K., Sugimito, Y., Kobayashi, T., Ushikubi, F., Aze, Y., Yoshida, N., Honda, Y., Nagai, H. & Narumiya, S. Prostaglandin D2 as a mediator of allergic ashma. Science, 287, 2013-2017 (2000)). There is another prostaglandin D2 receptor (CRTH receptor) in Th2 lymphocytes, eosinophils, and basophils involved in allergic reactions, which promotes chemotaxis of those inflammatory cells (Hirai, H., Tanaka, K., Yoshie, O., Ogawa, K., Kenmotsu, K., Takamori, Y., Ichimasa, M., Sugamura, K., Nakamura, M., Takano, S., and Nagata, K., Prostaglandin D2 selectively induces chemotaxis in T helper type 2 cells, eosinophils and basophils via seven-transmembrane receptor CRTH2, J. Exp. Med., 193, 255-261 (2001)). The synthesis of prostaglandin D2 in mast cells (Urade, Y., Ujihara, M., Horiguchi, Y., Igarashi, M., Nagata, A., Ikai, K. and Hayaishi, O. Mast cells contain spleen-type prostaglandin D synthase, J. Biol. Chem., 265, 371-375 (1990)) and human Th2 lymphocytes (Tanaka, K., Ogawa, K., Sugamura, K., Nakamura, M., Takano, S. and Nagata, K., Differential production of prostaglandin D2 by human helper T cell subsets, J. Immunol., 164, 2277-2280 (2000)) is made by hematopoietic PGDS.
-
If a compound capable of inhibiting the enzymatic activity of PGDS is discovered, it would become possible to control PGD2 synthesis to obtain anti-allergic agents, sleep control agents and anti-obesity agents.
-
Recently, attempts to design medicines from the three dimensional structure of proteins have been made. However, no one has succeeded in determining the three dimensional structure of human hematopoietic PGDS. It is hence difficult to design an inhibitor of human hematopoietic PGDS from the three dimensional structure thereof. It is an object of the present invention to clarify the three dimensional structure of human hematopoietic PGDS to provide a method for designing an inhibitor of human hematopoietic PGDS using the three dimensional structure.
SUMMARY OF THE INVENTION
-
The inventors has succeeded in preparing crystals of complexes of human hematopoietic PGDS (which has as metal ion calcium ion (referred to as “calcium type” hereinafter) or magnesium ion (referred to as “magnesium type” hereinafter)), glutathione (GSH) which is a cofactor of PGDS, and analog of prostaglandin H2 (PGH2) which is a substrate of PGDS or several types of inhibitor of PGDS. The inventors have succeeded in clarifying the three dimensional structures of these complexes with crystallography techniques using X-ray diffraction methods for the first time.
-
The present invention is related to a complex of human calcium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1 and glutathione which has a three dimensional structure represented by the structural coordinates in Table 1.
-
The present invention is related to a complex of human magnesium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1 and glutathione which has a three dimensional structure represented by the structural coordinates in Table 2.
-
The present invention is related to a complex of human calcium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1, glutathione and 9,11-dideoxy-9α,11αmethanoepoxyprostaglandin F2α (referred to as “U46” hereinafter) which has a three dimensional structure represented by the structural coordinates in Table 3.
-
U46 is represented by the formula:
-
-
and is an analog of prostaglandin H2 (PGH2) which is a substrate of PGDS.
-
The present invention is related to a complex of human magnesium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1, glutathione and U46 which has a three dimensional structure represented by the structural coordinates in Table 4.
-
The present invention is related to a complex of human calcium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1, glutathione and 9,11-dideoxy-9α,11αepoxymetanoprostaglandin F2α (referred to as “U44” hereinafter) which has a three dimensional structure represented by the structural coordinates in Table 5.
-
U44 is represented by the formula:
-
-
and is an analog of prostaglandin H2 which is a substrate of PGDS.
-
The present invention is related to a complex of human magnesium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1, glutathione and U44 which has a three dimensional structure represented by the structural coordinates in Table 6.
-
The present invention is related to a complex of human calcium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1, glutathione and Cibacron Blue™ (1-amino-4-{4-[4-chloro-6-(2-sulfo-phenylamino)-[1,3,5]triazine-2-ylmethyl]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid) which has a three dimensional structure represented by the structural coordinates in Table 7.
-
Cibacron Blue™ is represented by the formula:
-
-
and is known as an inhibitor of PGDS (Thomson, A. M., Meyer, D. J. & Hayes, J. D. Sequence, catalytic properties and expression of chicken glutathione-dependent prostaglandin D2 synthase, a novel class Sigma glutathione S-transferase. Biochem. J., 333, 317-325 (1998)).
-
The present invention is related to a complex of human magnesium type hematopoietic PGDS having an amino acid sequence of SEQ. ID NO 1, glutathione and 4-benzhydryloxy-1-{3-(1H-tetrazol-5-yl)-propyl}piperidine (referred to as “HQL-79” hereinafter) which has a three dimensional structures represented by the structural coordinates in Table 8.
-
HQL-79 is represented by the formula:
-
-
and is known to have anti-allergic activity (Matsushita N, Hizue M, Aritake K, Hayashi K, Takada A, Mitsui K, Hayashi M, Hirotsu I, Kimura Y, Tani T and Nakajima H, Pharmacological studies on the novel anti-allergic drug HQL-79: I. Anti-allergic and anti-asthmatic effects in various experimental models. Japanese Journal of Pharmacology, 78, 1-10 (1998)).
-
The present invention is further related to use of at least one structural coordinates selected from the group consisting of the structural coordinates represented in Tables 1-8 in selecting a compound for inhibiting human hematopoietic PGDS.
-
The present invention is related to a method for selecting an inhibitor of human hematopoietic PGDS, comprising steps of:
-
(a) providing at least one structural coordinates selected from the group consisting of the structural coordinates represented in Tables 1-8 which characterizes an active site of human hematopoietic PGDS;
-
(b) providing steric structure of a candidate compound; and
-
(c) fitting the candidate compound to the active site of human hematopoietic PGDS to select the inhibitor.
-
The amino acid residues involved in the active site of human hematopoietic PGDS are Tyr8, Phe9, Asn10, Met11, Arg12, Gly13, Arg14, Ala15, Glu16, Leu17, Trp39, Pro40, Glu41, Ile42, Lys43, Gly49, Lys50, Ile51, Pro52, Ile53, His62, Gln63, Ser64, Leu65, Asp93, Thr94, Leu95, Asp96, Asp97, Phe98, Met99, Ser100, Cys101, Phe102, Phe103, Trp104, Ala105, Glu106, Lys107, Lys108, Gln109, Asp110, Val111, Lys112, Glu113, Gln114, Met115, Phe116, Tyr152, Trp153, Glu154, Ile155, Leu156, Ser157, Thr158, Thr159, Leu160, Leu161, Val162, Phe163, Thr197, Lys198, and Leu199.
-
The term “fit” means that a candidate compound is optimized in energy and configuration to the active site of human hematopoietic PGDS. A compound is selected in such a manner that the contact area of a candidate compound with human hematopoietic PGDS is maximum when the compound binds to the active site of human hematopoietic PGDS, and that the binding mode between the compound and the active site of human hematopoietic PGDS is maximum.
-
Preferably, it is confirmed that the thus selected inhibitor inhibits PGDS by contacting the inhibitor with hematopoietic PGDS in the presence of prostaglandin H2.
-
In addition, the inhibitor is confirmed whether it has at least one biological activity selected from the group consisting of anti-allergic activity, sleep control activity, anti-obesity activity and brain wound healing activity.
BRIEF DESCRIPTION OF THE DRAWINGS
-
FIG. 1 shows the three-dimensional structure of a complex of human hematopoietic prostaglandin D synthase (PGDS) (calcium type) and glutathione. PGDS forms a dimer, and there is a metal ion-binding site in the center of the dimer.
-
FIG. 2 shows PGDS monomer structure viewed from the side of the monomer.
-
FIG. 3 shows a surface structure of PGDS viewed from the same direction as in FIG. 2.
-
FIG. 4 is an enlarged view of surface structure of PGDS complexed with calcium, glutathione, and U46. Oxygen atom of cyclopentane ring of U46 forms hydrogen bond with glutathione
-
FIG. 5 shows the three-dimensional structure of PGDS complexed with calcium, glutathione and U44. The alpha chain of the substrate analogue is surrounded by Lys107, Lys112 and Lys198 of PGDS which are basic amino acid residues. The residues form salt-bridge with carboxylate of the α chain. In magnesium-type PGDS, similar three-dimensional structure is observed.
-
FIG. 6 shows three dimensional structure of PGDS complexed with magnesium, glutathione and U46.
DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS
(1) Human Hematopoietic Prostaglandin D Synthase
-
The amino acid sequence of human hematopoietic prostaglandin D synthase is known. The method for preparing it is also disclosed (Japanese Patent Kokai No. 322773/1997). Although it is possible to obtain the enzyme from human tissue, it is convenient to prepare it using recombinant techniques.
-
For example, an expression plasmid (pT7-7hPGDS) which comprises cDNA encoding human hematopoietic prostaglandin D synthase having amino acid sequence of SEQ. ID. NO. 1 under the control of T7 polymerase gene promoter is constructed (Japanese Patent Kokai No. 322773/1997). Escherichia coli BL21 (DE-3) is transformed with the expression plasmid using modified calcium chloride method (Inoue, et al., Gene 96:23-28 (1990)) Escherichia coli pYK1 transformed with the expression plasmid is deposited under accession number FERM BP-5489 in National Institute of Advanced Industrial Science and Technology.
-
Escherichia coli pYK1 is cultured in LB medium (containing 50 μg/ml of ampicillin) at 37° C. overnight. IPTG (isopropylthio-β-D-galactoside) is then added to final concentration of 0.4 mM and Escherichia coli pYK1 is further cultured for additional 4 to 6 hours.
-
After the completion of cultivation, the bacteria is fractured by ultrasonication and centrifuged at 13,000 rpm at 4° C. for 15 minutes to remove precipitates. Fractionation is effected with ammonium sulfate. Fraction of 40% to 60% saturation of ammonium sulfate is obtained and dialyzed against 50 mM sodium phosphate buffer. The dialyzed solution is applied to Glutathione Sephalose 4B column and purified by affinity chromatography.
(II) Crystal of Human Hematopoietic Prostaglandin D Synthase Complex
-
Crystallization of a protein utilizes depositing a protein under specific conditions as a crystal when the protein is switched from dissolving conditions to non-dissolving conditions by adding a precipitating agent to a solution of the protein of interest, or by reducing the amount of solution by vaporizing solvent.
-
The inventors have found that human hematopoietic PGDS complex is successfully crystallized with the hanging drop vapor diffusion method. The hanging drop vapor diffusion method is a method wherein a mixed solution of protein solution with a precipitating solution is hanged up on a glass plate using surface tension and the solution is enclosed with another precipitating solution having a higher concentration in a sealed space to form a crystal of the protein. Due to vapor diffusion, the concentration of the precipitating agent is gradually increased to obtain a crystal. When a large crystal is required, a crystal obtained in a first crystallization and having a size of about 0.01 mm is selected and re-crystallized again with a macro-seeding method (Stura, E. A. & Wilson, L. A. Applications of the streak seeding technique in protein crystallization. J. of Crystal Growth, 110, 270-282 (1991).) to obtain a crystal having size of about 0.3×0.3×1.5 mm, which is proper for X-ray diffraction experiments.
-
The conditions for preparing eight human hematopoietic PGDS complexes are described hereinafter.
-
(1) Complex of Human Hematopoietic PGDS with Calcium and Glutathione
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Calcium chloride | 2.5 | mM | 5 | mM |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(2) Complex of Human Hematopoietic PGDS with Magnesium and Glutathione
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Magnesium chloride | 2.5 | mM | 5 | mM |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(3) Complex of Human Hematopoietic PGDS with Calcium, Glutathione and 9,11-dideoxy-9α,11α-methanoepoxyprostaglandine F
2α (U46)
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Calcium chloride | 2.5 | mM | 5 | mM |
| U46 | 10 | mM | — |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(4) Complex of Human Hematopoietic PGDS with Magnesium, Glutathione and 9,11-dideoxy-9α,11α-methanoepoxyprostaglandine F
2α (U46)
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Magnesium chloride | 2.5 | mM | 5 | mM |
| U46 | 10 | mM | — |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(5) Complex of Human Hematopoietic PGDS with Calcium, Glutathione and 9,11-dideoxy-9α,11α-epoxymethanoprostaglandine F
2α (U44)
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Calcium chloride | 2.5 | mM | 5 | mM |
| U46 | 5 | mM | — |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(6) Complex of Human Hematopoietic PGDS with Magnesium, Glutathione and 9,11-dideoxy-9α,11α-epoxymethanoprostaglandine F
2α (U44)
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Magnecium chloride | 2.5 | mM | 5 | mM |
| U44 | 5 | mM | — |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(7) Complex of Human Hematopoietic PGDS with Calcium, Glutathione and Cibacron Blue™ (1-amino-4-{4-[4-chloro-6-(2-sulfo-phenylamino)-[1,3,5]triazine-2-ylmethyl]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic Acid)
Composition:
-
-
| |
| Internal Sol. | External Sol. |
| |
|
Precipitating | PEG 6000 | 14% | 16% |
agent |
Buffer | Tris buffer | 50 | mM | 100 | mM |
Admixture | Glutathione | 5 | mM | 10 | mM |
| dithiothreitol | 5 | mM | 10 | mM |
| Calcium chloride | 2.5 | mM | 5 | mM |
| Cibacron Blue | 1 | mM | — |
Protein | PGDS | 5 | mg/mL | — |
|
Temperature: 20° C., |
pH: 8.4 |
(8) Complex of Human Hematopoietic PGDS with Calcium, Glutathione and 4-benzhydryloxy-1-{3-(1H-tetrazol-5-yl)-propyl}piperidine (HQL-79)
Composition:
-
-
|
|
|
Internal Sol. |
External Sol |
|
|
|
Precipitating |
PEG 6000 |
14% |
16% |
agent |
Buffer |
Tris buffer |
50 |
mM |
100 |
mM |
Admixture |
Glutathione |
5 |
mM |
10 |
mM |
|
dithiothreitol |
5 |
mM |
10 |
mM |
|
Calcium chloride |
2.5 |
mM |
5 |
mM |
|
Dioxane |
1% |
2% |
|
HQL-79 |
saturated |
— |
Protein |
PGDS |
5 |
mg/mL |
— |
|
Temperature: 20° C., |
pH: 8.4 |
(III) Three-Dimensional Coordinate of Human Hematopoietic PGDS Complex
-
Three-dimensional structure of human hematopoietic PGDS complex was clarified using X-ray crystallography from the crystal of human hematopoietic PGDS complex obtained from (II).
-
Data collection was carried out for a mercury derivative crystal of human hematopoietic PGDS of the calcium type in SPring-8 RIKEN beam line BL45XD in consideration of the anomalous dispersion effect. Data collection was carried out using synchrotron radiation lights of three wavelengths of 1.009 Å, 1.04 Å and 1.10 Å to calculate eight positions of mercury from the analysis of the Patterson function. The position was precisely determined using the program MLPHARE (Otwinowski, Z. in Proceedings of CCP4 Study Weekend, Isomorphous Replacement and Anomalous Scattering, edited by Sawyer, L., Issacs, N., and Bailey, S. [Science and Engineering Research Council (England) Daresbury Lab., Warrington, U.K.], pp. 80-86 (1993)) to obtain electron density of the enzyme. An enzyme model was constructed on a graphics workstation to obtain a highly accurate enzyme model of human hematopoietic PGDS of the calcium type using the refinement program CNS (Brunger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J. S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. & Warren, G. L. Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta Cryst., D54, 905-921 (1998)).
-
The other structural model was obtained in high accuracy with the program CNS using the calcium type model firstly obtained as the search model.
-
Crystallographic data obtained for the crystals prepared in (II)(1) to (II)(8) are as follows:
-
|
Crystal |
(1) |
(2) |
(3) |
(4) |
|
Space group |
P21 |
P21 |
P21 |
P1 |
Resolution(Å) |
37.3-1.8 |
30.9-1.7 |
37.3-2.0 |
33.8-1.2 |
No. of water molecules |
1089 |
983 |
744 |
1587 |
Rcryst (%) |
19.3 |
21.0 |
20.6 |
18.0 |
Rfree (%) |
22.6 |
24.1 |
25.2 |
19.1 |
R.m.s. deviation of |
bond length (Å) |
0.005 |
0.006 |
0.006 |
0.006 |
Bond angles (deg.) |
1.1 |
1.0 |
1.0 |
1.2 |
dihedral angles (deg.) |
20.3 |
20.1 |
20.2 |
20.6 |
Average B (Å2) |
18.7 |
24.5 |
18.2 |
14.9 |
Average B of GSH (Å2) |
17.7 |
27.2 |
20.8 |
10.0 |
|
Crystal |
(5) |
(6) |
(7) |
(8) |
|
Space group |
P21 |
P21 |
P21 |
P1 |
Resolution (Å) |
37.4-1.8 |
29.0-2.0 |
91.6-2.1 |
500-1.45 |
No. of water molecules |
858 |
1639 |
858 |
1398 |
Rcryst (%) |
21.2 |
17.8 |
20.3 |
19.2 |
Rfree (%) |
24.7 |
23.0 |
25.7 |
20.7 |
R.m.s. deviation of |
bond length (Å) |
0.006 |
0.006 |
0.007 |
0.012 |
Bond angles (deg.) |
1.0 |
1.1 |
1.1 |
1.3 |
dihedral angles (deg.) |
20.4 |
20.6 |
20.1 |
20.1 |
Average B (Å2) |
22.8 |
19.5 |
22.4 |
14.4 |
Average B of GSH (Å2) |
23.6 |
15.1 |
44.8 |
11.6 |
|
-
Table 1 represents the structural coordinates of the complex of human hematopoietic PGDS with calcium and glutathione; Table 2 represents the structural coordinates of the complex of human hematopoietic PGDS with magnesium and glutathione; Table 3 represents the structural coordinates of the complex of human hematopoietic PGDS with calcium, glutathione and 9,11-dideoxy-9α,11α-methanoepoxyprostaglandine F2α (U46); Table 4 represents the structural coordinates of the complex of human hematopoietic PGDS with magnesium, glutathione and 9,11-dideoxy-9α,11α-methanoepoxyprostaglandine F2α (U46); Table 5 represents the structural coordinates of the complex of human hematopoietic PGDS with calcium, glutathione and 9,11-dideoxy-9α,11α-epoxymethanoprostaglandine F2α (U44); Table 6 represents the structural coordinates of the complex of human hematopoietic PGDS with calcium, glutathione and 9,11-dideoxy-9α,11α-epoxymethanoprostaglandine F2α (U44); Table 7 represents the structural coordinates of the complex of human hematopoietic PGDS with calcium, glutathione and Cibacron Blue™; Table 8 represents the structural coordinates of the complex of human hematopoietic PGDS with magnesium, glutathione and 4-benzhydryloxy-1-{3-(1H-tetrazol-5-yl)-propyl}piperidine (HQL-79).
-
Each table represents three-dimensional structural coordinates according to the format of Protein Data Bank (rcsb.org/pdb/, USA). “ATOM” at the first column indicates that the row describes atom coordinates; the second column indicates the atom number; the third column indicates the atom type in the amino acid residue or the like, for example, carbonyl carbon atom is represented by C, and carbonyl oxygen atom is represented by O,; the fourth column indicates the amino acid residue or the like; the fifth column indicates the class of molecule; the sixth column indicates the amino acid number; the seventh, eighth, and ninth columns indicate coordinates of the atom (in A for X-axis, Y-axis, and Z-axis directions in the order); the tenth column indicates the occupancy of the atom (in the present invention 1.00 for all atoms); and the eleventh column indicates the temperature factor of the atom. The twelfth column indicates the class of molecule like the fifth column.
(IV) Three-Dimensional Structure and Binding Site of Human Hematopoietic PGDS Complex.
-
(1) Complex of Human Hematopoietic PGDS with Calcium and Glutathione
-
Prostaglandin D synthase form a dimer and calcium ion exists in the center of the dimer (see FIG. 1). Calcium has no influence on the glutathione binding, but increases the reaction rate of PGDS enzyme. Glutathione binds to Tyr8, Arg14, Trp39, Gly49, Lys50, Ile51, Pro52, Gln63 and Ser64 of PGDS.
-
(2) Complex of Human Hematopoietic PGDS with Magnesium and Glutathione
-
In accordance with the change of metal ion in the center of the dimer from calcium ion to magnesium ion, coordination structure of water molecule to the metal ion is significantly changed. Magnesium increases the affinity of glutathione to PGDS by more than 3 times.
-
(3) Complex of Human Hematopoietic PGDS with Calcium, Glutathione and 9,11-dideoxy-9α,11α-methanoepoxyprostaglandine F2α (U46)
-
In the complex, there exists calcium ion in the center of the dimer as in (1). In addition, substrate analog, U46, binds to PGDS. U46 binds to Tyr8, Gly3, Arg14, Gln36, Trp104, Gln36, Trp104, Gln109, Lys112, Tyr152, Lys198, and Leu199 of PGDS, and GSH. Carboxyl group of U46 is hydrogen bonded to either of Gln109, Lys112, or Lys198 of PGDS. Oxygen atom at C11 site of U46 is positioned at 4.6 Å from S atom of GSH. The ω chain of U46 approaches Tyr152 existing in the deepest portion of substrate binding site to van der Waals contact distance.
-
(4) Complex of Human Hematopoietic PGDS with Magnesium, glutathione and 9,11-dideoxy-9α,11α-methanoepoxyprostaglandine F2α (U46)
-
The structure of the complex differs from that of (3) in that magnesium ion exists in the center of the dimer. Although the α chain of U46 is positioned near Gln109, Lys112 and Lys198 of PGDS, it is not hydrogen bonded but is in van der Waals contact. Oxygen atom at 11 site of U46 is hydrogen bonded to Gln36 of PGDS through water molecule. The OH group in the ω chain of U46 is hydrogen bonded to rotated Arg14 and the ω chain is out of the pocket. Ether which is a solvent for U46 binds at the aperture between Trp104 of PGDS and U46 molecule.
-
(5) Complex of Human Hematopoietic PGDS with Calcium, glutathione and 9,11-dideoxy-9α,11α-epoxymethanoprostaglandine F2α (U44)
-
The complex differs from that of (1) to (4) in that a substrate analog U44 binds to PGDS. In the calcium-binding structure, although the binding site of U44 is the same as that of U46, the manner of hydrogen bonding differs. Although they are both in the calcium-binding form, being different from U46, α-chain of U44 is hydrogen bonded with to all of Gln109, Lys112, and Lys198 of PGDS, and oxygen atom at 9 site is hydrogen bonded through water to Gln36. The α-chain of U44 is about 5 Å apart from back Tyr152, differing from the structure of (3).
-
(6) Complex of Human Hematopoietic PGDS with Magnesium, Glutathione and 9,11-dideoxy-9α,11α-epoxymethanoprostaglandine F2α (U44)
-
Although this complex is identical with (5) in that they are complexes with substrate analog U44, it is different from (5) in that the metal ion positioned in the center of dimer is magnesium ion.
-
(7) Complex of Human Hematopoietic PGDS with Calcium, Glutathione and Cibacron Blue™
-
The complex differs from the above six structures in that it is a complex with an inhibitor Cibacron Blue. Metal ion in the center of the dimer is calcium. Cibacron Blue binds to Phe9, Gly10, Gly13, Arg14, Gln36, Met99, Ser100, Trp104, Glu106, Lys107, Gln109, Lys112, Tyr152, Cys156, Lys198, and Leu199 of PGDS, and GSH
-
(8) Complex of Human Hematopoietic PGDS with Magnesium, glutathione and 4-benzhydryloxy-1-{3-(1H-tetrazol-5-yl)-propyl}piperidine (HQL-79)
-
The complex is different from (1) to (6) in that it is a complex with an inhibitor HQL-79, and an inhibitor different from (7) is used. Magnesium ion is bonded in the center of the dimer. Induce-fit phenomenon is caused due to the binding of HQL-79, and space group is changed from P21 to P1. HQL-79 binds to Tyr8, Phe9, Arg14, Met99, Phe102, Trp104, Tyr152, Ile155, Thr159, Phe163, and Leu199 of PGDS and GSH.
(V) Use of Three Dimensional Coordinates for Preparing Inhibitor of Human Hematopoietic Prostaglandin D Synthase
-
A compound capable of inhibiting human hematopoietic PGDS can be selected using three-dimensional coordinates of Tables 1 to 8.
-
The present invention is related to a method for selecting an inhibitor of human hematopoietic PGDS, comprising steps of:
-
(a) providing at least one of these structural coordinates selected from the group consisting of the structural coordinates represented in Tables 1-8 which characterizes an active site feature of human hematopoietic PGDS;
-
(b) providing steric structure of a candidate compound; and
-
(c) fitting the candidate compound to the active site of human hematopoietic PGDS to select the inhibitor.
-
The amino acid residues involved in the active site of human hematopoietic PGDS are Tyr8, Phe9, Asn10, Met11, Arg12, Gly13, Arg14, Ala15, Glu16, Leu17, Trp39, Pro40, Glu41, Ile42, Lys43, Gly49, Lys50, Ile51, Pro52, Ile53, His 62, Gln63, Ser64, Leu65, Asp93, Thr94, Leu95, Asp96, Asp97, Phe98, Met99, Ser100, Cys101, Phe102, Phe103, Trp104, Ala105, Glu106, Lys107, Lys108, Gln109, Asp110, Val111, Lys112, Glu113, Gln114, Met115, Phe116, Tyr152, Trp153, Glu154, Ile155, Leu156, Ser157, Thr158, Thr159, Leu160, Leu161, Val162, Phe163, Thr197, Lys198, and Leu19
-
Based on the three-dimensional structure information, commercially available compounds are one by one minimized in energy using various programs so that the binding to the active site of the enzyme occurs in the most appropriate orientation. This procedure is automatically effected for all commercially available compounds to compare free energy to select compounds which readily bind to the active site of the enzyme. A compound thus obtained is used as basic backbone, and more stable derivative is designed to synthesize more stable compound in order to develop a new inhibitor of the enzyme.
-
It is preferred to design inhibitors using a computer. For example, Indigo 2, a workstation supplied by Silicon Graphics, Inc., is suitable as a computer used for designing inhibitors. However, the computer is not limited to this one, and any computer may be used so long as it is capable of running an appropriate program. Likewise, there is no particular limitation on the computer storage medium. For example, Insight II, a computer program commercially available from Accelrys, Inc. may be used as a program for designing. In particular, the programs Ludi or DOCK, a module of Insight II specially prepared for such purposes, may be used alone or in combination to facilitate identification, searching, evaluation, or designing.
-
In designing of inhibitor, there are conceptually two steps. The first step is to find a compound which serves as a starting point for drug design, known for those skilled in the art as a lead compound. The next step is optimization of the lead compound wherein compounds having better properties as medicines, for example, having better activity, having better pharmacokinetics, or having less toxicities and side effects are sought starting from the lead compound.
-
The step in which a lead compound is found using the structure coordinates of the PGDS complex provided by the present invention is achieved, for example, using a database in a computer into which structures of plural compounds have been entered, by a method in which interactions between three-dimensional structures of a compound in the database and PGDS are sorted out in a visual manner one after another, or by a method in which amplitudes of binding energy are calculated one after another using a computer and compounds which stably bind to PGDS are found from the database. Although it is preferred that the database of compound's structures contains determined three-dimensional structure coordinates entered therein, for low molecular weight compounds, it does not have to be a database of three-dimensional structure coordinates, because such low molecular weight compounds may change their conformations relatively freely, and also because three-dimensional structure coordinates for each conformation can be derived by calculations in a relatively short time. In the latter cases, information for chemical covalent bonds of low molecular weight compounds are entered into the database.
-
Specifically, in the visual method, PGDS complexes are firstly displayed on a computer screen according to the structure coordinates of the present invention. In this step, although a three-dimensional representation may be made on the computer screen using, for example, Crystal Eye as described above, visual examinations can also be achieved without using such a three-dimensional representation.
-
Chemical interactions to be considered include electrostatic interactions, hydrophobic interactions, hydrogen bonding, van der Waals interactions, and the like. Thus, the structure should be comprehensively examined whether it is favorable for interactions, for example, so that functional groups which tend to bear negative charges such as carboxyl groups, nitro groups, and halogens interact with amino acid residues in PGDS having positive charge such as lysine, arginine, and histidine, so that functional groups which tend to bear positive charge such as amino, imino, and guanidyl groups interact with amino acid residues in PGDS having negative charge such as glutamic acid and aspartic acid, so that hydrophobic functional groups such as aliphatic groups and aromatic groups interact with hydrophobic amino acid residues such as alanine, leucine, isoleucine, valine, proline, phenylalanine, tryptophan and methionine, so that functional groups involved in hydrogen bonding such as hydroxyl and amide groups can form hydrogen bonds with backbone or side chain portions of PGDS, so that binding between the compound and PGDS causes no steric hindrance, and so that empty spaces are filled to minimize such empty spaces and maximize van der Waals interactions. Thus, electrostatic interactions, hydrophobic interactions, van der Waals interactions, hydrogen bonding, and other factors are visually and comprehensively considered to finally determine whether or not the compound is suitable as a lead compound.
-
In the method of energy evaluation with a computer, the energy of binding between a compound and PGDS is determined by molecular force field calculations. Such calculations are applied to each compound in the database to find compounds which may serve as a lead compound capable of stable binding. As a molecular force field used in the calculations, for example, CVFF, AMBER force field optimized for proteins, which is contained in DISCOVER module of Insight II program may be used. In addition, some computer programs like Ludi in Insight II can automatically output candidates for lead compound when three-dimensional structure coordinates of interacting amino acid residues in a protein molecule are given, and such programs may also be applied to the method of present invention.
-
Furthermore, the visual examinations and the examination considering energy are not strictly sorted out from each other, and both techniques may be used in combination as appropriate.
-
The next step, in which optimization of the lead compound is conducted using the structure coordinates of the PGDS complex is used for the purpose of, where a lead compound which binds to PGDS has already been found by the above method or separately found in an experimental manner, optimizing the lead compound to obtain a better compound such as a compound having higher biological activities as an inhibitor or a compound having a structure favorable for oral administration as a medicine. It becomes possible only after a precise picture of chemical bonding between the lead compound and PGDS has been elucidated to directly find a site which is not optimal for interactions between the lead compound and PGDS and to design a new compound having an optimal functional group at that site, thereby enabling to design a more optimized compound.
-
For visual examinations with a computer, a model of the complex between the lead compound and PGDS is firstly displayed on a computer screen by entering the three-dimensional structure coordinates of the lead compound and the structure coordinates of PGDS provided by the present invention into a computer on which a computer program expressing three-dimensional coordinates of molecules runs or into a storage medium of the computer. In this step, although a three-dimensional representation may be made on the computer screen using, for example, Crystal Eye as described above, visual examinations can also be achieved without using such a three-dimensional representation. It is a logical to design a compound to modify the lead compound so as to yield a compound more favorably interacting with PGDS or a compound having better pharmacokinetics while retaining such interactions.
-
Chemical interactions to be considered are the same as those in the step to find a lead compound, and a new compound having better properties as an inhibitor is finally designed starting from the lead compound.
-
In the method by energy evaluation with a computer, the energy of binding between a new compound designed from the lead compound and PGDS is determined by molecular force field calculations to judge the validity of the design. In addition, it is also possible to use a method in which other molecules such as solvent molecules are additionally included in the model and the free energy is determined using molecular dynamics to derive a compound capable of stable binding. As a molecular force field used in the calculations, for example, CVFF, AMBER force field optimized for proteins, which is contained in DISCOVER module of Insight II program may be used.
-
Furthermore, the visual examinations and the method by energy evaluations may be used in combination as appropriate.
-
After a candidate compound for inhibition of hematopoietic PGDS is thus selected, the selected compound is contacted with the enzyme in the presence of the substrate (prostaglandin H2) to confirm the compound can inhibit the enzymatic activity (Shimizu, T., Yamamoto, S., and Hayaishi, O. (1979). Purification and properties of prostaglandin D synthase from rat brain. J. Biol. Chem. 254, 5222-5228). The measurement of enzymatic activity is, for example, carried out as follows: The substrate [1-14C]prostaglandin(PG)H2 is prepared by reacting [1-14C]arachidonic acid with cyclooxygenase. Since PGH2 is easily decomposed in aqueous solution (half-life: about 5 minutes), it is dried and stored at a low temperature (−80° C.). The enzymatic reaction is carried out by injecting with microsyringe 1 μl of PGH2 solution (acetone or nonvolatile diethleneglycohol solution) to 50 μl of 0.1 M phosphate buffer (pH 7.5) containing 1 mM glutathione and the enzyme. After the reaction is effected for 30˜60 seconds, the reaction is quenched by adding 300 μl of ice-cooled ether/methanol/0.1M citric acid mixture (20:4:1 v/v/v), and the substrate and the reaction product are extracted with ether under acidic condition. Anhydrous sodium sulfate is then added to the reaction solution to remove water. An aliquot (about 50 μl) of organic layer is applied on silica gel thin layer in a cool room (about 4° C.) and silica gel thin layer chromatography (development solvent: ether/methanol/acetic acid (9:2:0.1)) is carried out in a freezer (−20° C.). After the development, radioactivity of PGD2 fraction and other fraction are measured and the enzyme activity is calculated from the ratio of conversion to PGD2.
-
Alternatively, enzyme reaction is carried out using commercially available non-labeled PGH2. After the reaction, PGH2 is decomposed to 12(S)-hydroxy-8,10-trans-5-cis-heptadecatrienolic acid with the treatment by FeCl2 before quantifying with reverse phase HPLC using 11-β-PGE2 as an internal standard or commercially available ELISA to quantify PGD2.
-
Since an inhibitor of hematopoietic PGDS can be an anti-allergic agent, a sleep control agent, an anti-obesity agent, and brain wound healing agent, pharmacological activity of the inhibitor is measured as each medicine.
-
A method for measuring pharmacological activity as an anti-allergic agent is described in Fugner A, Bechtel W. D., Kuhn, F. J. and Mierau, J. In vitro and in vivo studies of the non-sedating antihistamine epinastine. Arzneimittelforschung, 38, 1446-1453 (1988); Kamei, C., Izushi, K., Adachi, Y., Shimazawa, M. and Tasaka, K. Inhibitory effect of epinastine on the type II-IV allergic reactions in mice, rats and guinea pigs. Arzneimittelforschung, 41, 1150-1153 (1991). Activity of an anti-allergic agent is measured as follows: Candidate prostaglandin D synthase inhibitors are administered to an animal or cells. Allergic reactions in animals or the production of prostaglandin D2 from cells is then measured to evaluate the activity of the candidate compound. Alternatively, for example, any allergen is administered to animal before a candidate compound for prostaglandin D synthase inhibitor is administered and systemic allergic reaction of the animal is observed to evaluate efficacy of the candidate compound. Alternatively, for example, any allergen is administered to an animal to put the animal in an allergic condition. Cells are collected from the animal, and the candidate compound of prostaglandin D synthase inhibitor is added to the cells in vitro. The amount of prostaglandin D2 caused by the stimulation of the cells with allergen is measured to evaluate of efficacy of the candidate compound.
-
A method for measuring pharmacological activity as sleep control agent is described in Huang, Z.-H., Qu, W.-M., Li, W.-D., Mochizuki, T., Eguchi, N., Watanabe, T., Urade, Y. & Hayaishi, O. Arousal effect f orexin A depends on activation of the histaminergic system. Proc. Natl. Acad. Sci. USA, 98, 9965-9970 (2001). For example, the activity is measured as follows: When prostaglandin D synthase inhibitor is administered in ventricle of the brain of a mouse, significant sleep disturbance occurs. On the other hand, when prostaglandin D2 is administered in the ventricle of the brain of a mouse, sleep is induced. Accordingly, the candidate compound of prostaglandin D synthase inhibitor is administered to an animal and the sleep condition is observed to evaluate the medical efficacy of the candidate compound. The measurement of the sleep condition of animal is, for example, carried out by measuring brain wave, electromyogram, activity, feeding and water-drinking amount, temperature, etc. from time to time.
-
A method for measuring pharmacological activity as anti-obesity agent is described in Ikeda H, Taketomi S, Sugiyama Y, Shimura Y, Sohda T, Meguro K & Fujita T. Effects of pioglitazone on glucose and lipid metabolism in normal and insulin resistant animals. Arzneimittelforschung, 40, 156-162 (1990) and Sohda T, Mizuno K, Momose Y, Ikeda H, Fujita T & Meguro K. Studies on anti-diabetic agents. 11. Novel thiazolidinedione derivatives as potent hypoglycemic and hypolipidemic agents. J. Med. Chem., 35, 2617-2626 (1992).
-
The measurement of pharmacological activity as anti-obesity agent is carried out as follows: The Prostaglandin D synthase inhibitor candidate is administered to an animal and the activity of the candidate compound is measured by measuring the obesity of the animal. For example, high fatty food is given to an animal and the candidate compound of prostaglandin D synthase inhibitor is then administered to the animal. The Obesity condition of animal is, for example, estimated by measuring body weight, active mass, feeding amount, fat weight, biochemical value in blood, etc from time to time.
-
The measurement of activity of brain wound healing agent in individual is carried out as follows: Medical efficacy of the candidate compound is measured by administering the candidate compound of prostaglandin D synthase inhibitor to an animal and then measuring the degree of brain wound healing. For example, it is measured by administering the candidate compound of prostaglandin D synthase inhibitor to a traumatic cerebral cortex wound (Stab wound) model (Salhia B et al, Brain Res., 888:87-97, 2000; Asahi M., et al., J. Neurosci., 21:7724-7732, 2001; Garcia de Yebenes E., et al., J. Neurochem., 73:812-1999). The measurement of brain wound healing is effected by measuring for example, amount of behavior, immunohistochemical staining, amount of expressed gene.
-
TABLE 1 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with calcium and |
glutathione |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
−2.182 |
−4.051 |
33.067 |
1.00 |
13.69 |
A |
ATOM |
4967 |
CA |
TYR |
A |
8 |
−0.772 |
−4.337 |
33.302 |
1.00 |
13.75 |
A |
ATOM |
4968 |
CB |
TYR |
A |
8 |
0.013 |
−3.029 |
33.442 |
1.00 |
12.77 |
A |
ATOM |
4969 |
CG |
TYR |
A |
8 |
1.519 |
−3.203 |
33.467 |
1.00 |
11.97 |
A |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
2.186 |
−3.810 |
32.407 |
1.00 |
11.66 |
A |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
3.576 |
−3.936 |
32.403 |
1.00 |
11.17 |
A |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
2.279 |
−2.725 |
34.535 |
1.00 |
11.40 |
A |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
3.666 |
−2.843 |
34.545 |
1.00 |
11.23 |
A |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
4.307 |
−3.447 |
33.475 |
1.00 |
11.71 |
A |
ATOM |
4975 |
OH |
TYR |
A |
8 |
5.680 |
−3.555 |
33.475 |
1.00 |
12.03 |
A |
ATOM |
4976 |
C |
TYR |
A |
8 |
−0.651 |
−5.143 |
34.588 |
1.00 |
14.05 |
A |
ATOM |
4977 |
O |
TYR |
A |
8 |
−1.650 |
−5.413 |
35.253 |
1.00 |
14.34 |
A |
ATOM |
4978 |
N |
PHE |
A |
9 |
0.569 |
−5.539 |
34.932 |
1.00 |
14.40 |
A |
ATOM |
4979 |
CA |
PHE |
A |
9 |
0.793 |
−6.283 |
36.165 |
1.00 |
15.06 |
A |
ATOM |
4980 |
CB |
PHE |
A |
9 |
2.198 |
−6.887 |
36.177 |
1.00 |
15.16 |
A |
ATOM |
4981 |
CG |
PHE |
A |
9 |
2.369 |
−8.046 |
35.234 |
1.00 |
16.21 |
A |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
3.275 |
−7.974 |
34.180 |
1.00 |
16.15 |
A |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
1.633 |
−9.214 |
35.406 |
1.00 |
16.28 |
A |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
3.450 |
−9.050 |
33.307 |
1.00 |
16.56 |
A |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
1.797 |
−10.299 |
34.540 |
1.00 |
16.94 |
A |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
2.708 |
−10.215 |
33.490 |
1.00 |
16.76 |
A |
ATOM |
4987 |
C |
PHE |
A |
9 |
0.644 |
−5.318 |
37.339 |
1.00 |
15.24 |
A |
ATOM |
4988 |
O |
PHE |
A |
9 |
0.482 |
−4.111 |
37.139 |
1.00 |
14.55 |
A |
ATOM |
4989 |
N |
ASN |
A |
10 |
0.692 |
−5.847 |
38.559 |
1.00 |
15.45 |
A |
ATOM |
4990 |
CA |
ASN |
A |
10 |
0.577 |
−5.003 |
39.742 |
1.00 |
15.61 |
A |
ATOM |
4991 |
CB |
ASN |
A |
10 |
−0.020 |
−5.775 |
40.925 |
1.00 |
16.21 |
A |
ATOM |
4992 |
CG |
ASN |
A |
10 |
−0.106 |
−4.926 |
42.189 |
1.00 |
16.84 |
A |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
−0.304 |
−3.707 |
42.124 |
1.00 |
17.30 |
A |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
0.032 |
−5.566 |
43.344 |
1.00 |
17.59 |
A |
ATOM |
4995 |
C |
ASN |
A |
10 |
1.940 |
−4.458 |
40.125 |
1.00 |
15.68 |
A |
ATOM |
4996 |
O |
ASN |
A |
10 |
2.594 |
−4.955 |
41.040 |
1.00 |
15.31 |
A |
ATOM |
4997 |
N |
MET |
A |
11 |
2.371 |
−3.438 |
39.396 |
1.00 |
15.55 |
A |
ATOM |
4998 |
CA |
MET |
A |
11 |
3.644 |
−2.784 |
39.650 |
1.00 |
15.24 |
A |
ATOM |
4999 |
CB |
MET |
A |
11 |
4.823 |
−3.726 |
39.351 |
1.00 |
17.25 |
A |
ATOM |
5000 |
CG |
MET |
A |
11 |
4.880 |
−4.298 |
37.949 |
1.00 |
19.23 |
A |
ATOM |
5001 |
SD |
MET |
A |
11 |
6.385 |
−5.318 |
37.662 |
1.00 |
22.67 |
A |
ATOM |
5002 |
CE |
MET |
A |
11 |
5.752 |
−6.968 |
37.938 |
1.00 |
21.71 |
A |
ATOM |
5003 |
C |
MET |
A |
11 |
3.705 |
−1.543 |
38.772 |
1.00 |
14.23 |
A |
ATOM |
5004 |
O |
MET |
A |
11 |
2.864 |
−1.363 |
37.894 |
1.00 |
13.37 |
A |
ATOM |
5005 |
N |
ARG |
A |
12 |
4.671 |
−0.669 |
39.031 |
1.00 |
13.48 |
A |
ATOM |
5006 |
CA |
ARG |
A |
12 |
4.804 |
0.537 |
38.227 |
1.00 |
12.43 |
A |
ATOM |
5007 |
CB |
ARG |
A |
12 |
5.841 |
1.480 |
38.844 |
1.00 |
12.14 |
A |
ATOM |
5008 |
CG |
ARG |
A |
12 |
5.472 |
1.978 |
40.246 |
1.00 |
12.08 |
A |
ATOM |
5009 |
CD |
ARG |
A |
12 |
6.475 |
3.012 |
40.757 |
1.00 |
11.93 |
A |
ATOM |
5010 |
NE |
ARG |
A |
12 |
7.833 |
2.474 |
40.769 |
1.00 |
12.08 |
A |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
8.301 |
1.623 |
41.680 |
1.00 |
12.27 |
A |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
7.520 |
1.210 |
42.671 |
1.00 |
12.04 |
A |
ATOM |
5013 |
NH2 |
ARG |
A |
12 |
9.550 |
1.174 |
41.589 |
1.00 |
11.83 |
A |
ATOM |
5014 |
C |
ARG |
A |
12 |
5.232 |
0.080 |
36.838 |
1.00 |
12.15 |
A |
ATOM |
5015 |
O |
ARG |
A |
12 |
4.517 |
0.285 |
35.858 |
1.00 |
12.05 |
A |
ATOM |
5016 |
N |
GLY |
A |
13 |
6.393 |
−0.563 |
36.770 |
1.00 |
12.02 |
A |
ATOM |
5017 |
CA |
GLY |
A |
13 |
6.898 |
−1.068 |
35.509 |
1.00 |
11.77 |
A |
ATOM |
5018 |
C |
GLY |
A |
13 |
6.769 |
−0.128 |
34.328 |
1.00 |
11.54 |
A |
ATOM |
5019 |
O |
GLY |
A |
13 |
6.967 |
1.080 |
34.449 |
1.00 |
11.13 |
A |
ATOM |
5020 |
N |
ARG |
A |
14 |
6.418 |
−0.702 |
33.183 |
1.00 |
11.75 |
A |
ATOM |
5021 |
CA |
ARG |
A |
14 |
6.277 |
0.040 |
31.939 |
1.00 |
11.78 |
A |
ATOM |
5022 |
CB |
ARG |
A |
14 |
6.507 |
−0.912 |
30.766 |
1.00 |
12.75 |
A |
ATOM |
5023 |
CG |
ARG |
A |
14 |
7.908 |
−1.488 |
30.767 |
1.00 |
14.50 |
A |
ATOM |
5024 |
CD |
ARG |
A |
14 |
8.186 |
−2.373 |
29.566 |
1.00 |
15.97 |
A |
ATOM |
5025 |
NE |
ARG |
A |
14 |
9.622 |
−2.433 |
29.307 |
1.00 |
18.20 |
A |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
10.303 |
−1.488 |
28.666 |
1.00 |
19.33 |
A |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
9.678 |
−0.413 |
28.202 |
1.00 |
19.36 |
A |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
11.613 |
−1.603 |
28.516 |
1.00 |
20.58 |
A |
ATOM |
5029 |
C |
ARG |
A |
14 |
4.945 |
0.753 |
31.770 |
1.00 |
11.74 |
A |
ATOM |
5030 |
O |
ARG |
A |
14 |
4.748 |
1.488 |
30.801 |
1.00 |
11.56 |
A |
ATOM |
5031 |
N |
ALA |
A |
15 |
4.031 |
0.548 |
32.709 |
1.00 |
11.10 |
A |
ATOM |
5032 |
CA |
ALA |
A |
15 |
2.728 |
1.191 |
32.618 |
1.00 |
10.68 |
A |
ATOM |
5033 |
CB |
ALA |
A |
15 |
1.644 |
0.237 |
33.111 |
1.00 |
10.84 |
A |
ATOM |
5034 |
C |
ALA |
A |
15 |
2.665 |
2.492 |
33.400 |
1.00 |
10.23 |
A |
ATOM |
5035 |
O |
ALA |
A |
15 |
1.789 |
3.322 |
33.157 |
1.00 |
10.48 |
A |
ATOM |
5036 |
N |
GLU |
A |
16 |
3.600 |
2.679 |
34.327 |
1.00 |
9.72 |
A |
ATOM |
5037 |
CA |
GLU |
A |
16 |
3.618 |
3.870 |
35.169 |
1.00 |
9.10 |
A |
ATOM |
5038 |
CB |
GLU |
A |
16 |
4.808 |
3.809 |
36.132 |
1.00 |
9.10 |
A |
ATOM |
5039 |
CG |
GLU |
A |
16 |
4.692 |
4.729 |
37.336 |
1.00 |
9.09 |
A |
ATOM |
5040 |
CD |
GLU |
A |
16 |
3.527 |
4.369 |
38.243 |
1.00 |
9.08 |
A |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
2.920 |
3.291 |
38.061 |
1.00 |
9.56 |
A |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
3.218 |
5.163 |
39.150 |
1.00 |
9.58 |
A |
ATOM |
5043 |
C |
GLU |
A |
16 |
3.646 |
5.194 |
34.409 |
1.00 |
9.31 |
A |
ATOM |
5044 |
O |
GLU |
A |
16 |
3.032 |
6.170 |
34.837 |
1.00 |
8.78 |
A |
ATOM |
5045 |
N |
ILE |
A |
17 |
4.361 |
5.237 |
33.288 |
1.00 |
9.01 |
A |
ATOM |
5046 |
CA |
ILE |
A |
17 |
4.435 |
6.471 |
32.517 |
1.00 |
8.95 |
A |
ATOM |
5047 |
CB |
ILE |
A |
17 |
5.388 |
6.335 |
31.303 |
1.00 |
9.06 |
A |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
4.929 |
5.211 |
30.385 |
1.00 |
8.42 |
A |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
5.449 |
7.658 |
30.531 |
1.00 |
8.92 |
A |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
5.944 |
8.827 |
31.354 |
1.00 |
9.68 |
A |
ATOM |
5051 |
C |
ILE |
A |
17 |
3.038 |
6.861 |
32.044 |
1.00 |
9.27 |
A |
ATOM |
5052 |
O |
ILE |
A |
17 |
2.701 |
8.044 |
31.989 |
1.00 |
9.18 |
A |
ATOM |
5242 |
N |
TRP |
A |
39 |
−2.568 |
−14.235 |
33.625 |
1.00 |
32.11 |
A |
ATOM |
5243 |
CA |
TRP |
A |
39 |
−1.844 |
−13.679 |
32.486 |
1.00 |
31.66 |
A |
ATOM |
5244 |
CB |
TRP |
A |
39 |
−0.384 |
−13.406 |
32.876 |
1.00 |
30.89 |
A |
ATOM |
5245 |
CG |
TRP |
A |
39 |
0.496 |
−12.996 |
31.726 |
1.00 |
30.01 |
A |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
0.197 |
−12.029 |
30.710 |
1.00 |
29.51 |
A |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
1.310 |
−11.981 |
29.840 |
1.00 |
29.33 |
A |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
−0.901 |
−11.197 |
30.449 |
1.00 |
29.25 |
A |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
1.741 |
−13.478 |
31.440 |
1.00 |
29.80 |
A |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
2.237 |
−12.875 |
30.308 |
1.00 |
29.45 |
A |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
1.356 |
−11.136 |
28.726 |
1.00 |
29.02 |
A |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
−0.854 |
−10.356 |
29.340 |
1.00 |
28.91 |
A |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
0.269 |
−10.333 |
28.493 |
1.00 |
28.96 |
A |
ATOM |
5254 |
C |
TRP |
A |
39 |
−1.892 |
−14.593 |
31.255 |
1.00 |
31.85 |
A |
ATOM |
5255 |
O |
TRP |
A |
39 |
−2.215 |
−14.142 |
30.156 |
1.00 |
31.82 |
A |
ATOM |
5256 |
N |
PRO |
A |
40 |
−1.571 |
−15.888 |
31.424 |
1.00 |
31.95 |
A |
ATOM |
5257 |
CD |
PRO |
A |
40 |
−1.187 |
−16.569 |
32.675 |
1.00 |
32.13 |
A |
ATOM |
5258 |
CA |
PRO |
A |
40 |
−1.586 |
−16.839 |
30.306 |
1.00 |
32.00 |
A |
ATOM |
5259 |
CB |
PRO |
A |
40 |
−1.477 |
−18.186 |
31.007 |
1.00 |
32.11 |
A |
ATOM |
5260 |
CG |
PRO |
A |
40 |
−0.591 |
−17.866 |
32.170 |
1.00 |
31.99 |
A |
ATOM |
5261 |
C |
PRO |
A |
40 |
−2.830 |
−16.740 |
29.427 |
1.00 |
31.94 |
A |
ATOM |
5262 |
O |
PRO |
A |
40 |
−2.734 |
−16.751 |
28.200 |
1.00 |
32.11 |
A |
ATOM |
5263 |
N |
GLU |
A |
41 |
−3.995 |
−16.645 |
30.060 |
1.00 |
31.73 |
A |
ATOM |
5264 |
CA |
GLU |
A |
41 |
−5.258 |
−16.542 |
29.338 |
1.00 |
31.51 |
A |
ATOM |
5265 |
CB |
GLU |
A |
41 |
−6.433 |
−16.620 |
30.319 |
1.00 |
32.22 |
A |
ATOM |
5266 |
CG |
GLU |
A |
41 |
−7.807 |
−16.488 |
29.668 |
1.00 |
33.37 |
A |
ATOM |
5267 |
CD |
GLU |
A |
41 |
−8.272 |
−17.772 |
29.001 |
1.00 |
34.21 |
A |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
−7.544 |
−18.301 |
28.131 |
1.00 |
34.63 |
A |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
−9.374 |
−18.251 |
29.351 |
1.00 |
34.59 |
A |
ATOM |
5270 |
C |
GLU |
A |
41 |
−5.344 |
−15.236 |
28.550 |
1.00 |
30.86 |
A |
ATOM |
5271 |
O |
GLU |
A |
41 |
−5.612 |
−15.240 |
27.347 |
1.00 |
30.86 |
A |
ATOM |
5272 |
N |
ILE |
A |
42 |
−5.116 |
−14.122 |
29.239 |
1.00 |
29.82 |
A |
ATOM |
5273 |
CA |
ILE |
A |
42 |
−5.174 |
−12.797 |
28.624 |
1.00 |
28.89 |
A |
ATOM |
5274 |
CB |
ILE |
A |
42 |
−4.914 |
−11.697 |
29.673 |
1.00 |
29.12 |
A |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
−4.936 |
−10.323 |
29.011 |
1.00 |
29.10 |
A |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
−5.973 |
−11.780 |
30.776 |
1.00 |
29.24 |
A |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
−5.692 |
−10.894 |
31.969 |
1.00 |
29.54 |
A |
ATOM |
5278 |
C |
ILE |
A |
42 |
−4.162 |
−12.637 |
27.492 |
1.00 |
28.04 |
A |
ATOM |
5279 |
O |
ILE |
A |
42 |
−4.476 |
−12.078 |
26.442 |
1.00 |
27.96 |
A |
ATOM |
5280 |
N |
LYS |
A |
43 |
−2.949 |
−13.128 |
27.718 |
1.00 |
27.12 |
A |
ATOM |
5281 |
CA |
LYS |
A |
43 |
−1.877 |
−13.041 |
26.733 |
1.00 |
26.46 |
A |
ATOM |
5282 |
CB |
LYS |
A |
43 |
−0.644 |
−13.791 |
27.243 |
1.00 |
26.21 |
A |
ATOM |
5283 |
CG |
LYS |
A |
43 |
0.542 |
−13.791 |
26.286 |
1.00 |
26.04 |
A |
ATOM |
5284 |
CD |
LYS |
A |
43 |
1.639 |
−14.723 |
26.785 |
1.00 |
25.92 |
A |
ATOM |
5285 |
CE |
LYS |
A |
43 |
2.864 |
−14.705 |
25.878 |
1.00 |
26.04 |
A |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
3.565 |
−13.389 |
25.888 |
1.00 |
25.88 |
A |
ATOM |
5287 |
C |
LYS |
A |
43 |
−2.282 |
−13.599 |
25.371 |
1.00 |
26.05 |
A |
ATOM |
5288 |
O |
LYS |
A |
43 |
−1.989 |
−13.002 |
24.333 |
1.00 |
25.81 |
A |
ATOM |
5328 |
N |
GLY |
A |
49 |
0.690 |
−10.284 |
22.410 |
1.00 |
14.48 |
A |
ATOM |
5329 |
CA |
GLY |
A |
49 |
0.907 |
−10.936 |
23.690 |
1.00 |
14.19 |
A |
ATOM |
5330 |
C |
GLY |
A |
49 |
1.776 |
−10.250 |
24.725 |
1.00 |
14.00 |
A |
ATOM |
5331 |
O |
GLY |
A |
49 |
2.495 |
−10.913 |
25.474 |
1.00 |
13.78 |
A |
ATOM |
5332 |
N |
LYS |
A |
50 |
1.702 |
−8.928 |
24.792 |
1.00 |
13.70 |
A |
ATOM |
5333 |
CA |
LYS |
A |
50 |
2.505 |
−8.180 |
25.749 |
1.00 |
13.72 |
A |
ATOM |
5334 |
CB |
LYS |
A |
50 |
3.703 |
−7.544 |
25.032 |
1.00 |
14.43 |
A |
ATOM |
5335 |
CG |
LYS |
A |
50 |
4.612 |
−8.550 |
24.344 |
1.00 |
15.06 |
A |
ATOM |
5336 |
CD |
LYS |
A |
50 |
5.479 |
−9.277 |
25.357 |
1.00 |
15.66 |
A |
ATOM |
5337 |
CE |
LYS |
A |
50 |
6.250 |
−10.411 |
24.705 |
1.00 |
16.36 |
A |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
6.972 |
−9.943 |
23.493 |
1.00 |
16.93 |
A |
ATOM |
5339 |
C |
LYS |
A |
50 |
1.689 |
−7.085 |
26.416 |
1.00 |
13.59 |
A |
ATOM |
5340 |
O |
LYS |
A |
50 |
0.670 |
−6.644 |
25.888 |
1.00 |
13.10 |
A |
ATOM |
5341 |
N |
ILE |
A |
51 |
2.142 |
−6.661 |
27.588 |
1.00 |
13.34 |
A |
ATOM |
5342 |
CA |
ILE |
A |
51 |
1.484 |
−5.588 |
28.305 |
1.00 |
13.51 |
A |
ATOM |
5343 |
CB |
ILE |
A |
51 |
0.720 |
−6.100 |
29.544 |
1.00 |
14.11 |
A |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
−0.628 |
−6.656 |
29.113 |
1.00 |
14.02 |
A |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
1.563 |
−7.135 |
30.299 |
1.00 |
14.40 |
A |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
0.909 |
−7.639 |
31.571 |
1.00 |
15.17 |
A |
ATOM |
5347 |
C |
ILE |
A |
51 |
2.543 |
−4.578 |
28.724 |
1.00 |
13.35 |
A |
ATOM |
5348 |
O |
ILE |
A |
51 |
3.731 |
−4.892 |
28.769 |
1.00 |
13.56 |
A |
ATOM |
5349 |
N |
PRO |
A |
52 |
2.122 |
−3.355 |
29.061 |
1.00 |
13.08 |
A |
ATOM |
5350 |
CD |
PRO |
A |
52 |
3.043 |
−2.244 |
29.369 |
1.00 |
13.17 |
A |
ATOM |
5351 |
CA |
PRO |
A |
52 |
0.732 |
−2.892 |
29.086 |
1.00 |
12.94 |
A |
ATOM |
5352 |
CB |
PRO |
A |
52 |
0.838 |
−1.561 |
29.813 |
1.00 |
12.82 |
A |
ATOM |
5353 |
CG |
PRO |
A |
52 |
2.132 |
−1.022 |
29.259 |
1.00 |
13.02 |
A |
ATOM |
5354 |
C |
PRO |
A |
52 |
0.017 |
−2.716 |
27.749 |
1.00 |
12.81 |
A |
ATOM |
5355 |
O |
PRO |
A |
52 |
0.625 |
−2.677 |
26.677 |
1.00 |
12.35 |
A |
ATOM |
5356 |
N |
ILE |
A |
53 |
−1.300 |
−2.611 |
27.846 |
1.00 |
12.88 |
A |
ATOM |
5357 |
CA |
ILE |
A |
53 |
−2.140 |
−2.343 |
26.697 |
1.00 |
13.33 |
A |
ATOM |
5358 |
CB |
ILE |
A |
53 |
−2.916 |
−3.585 |
26.200 |
1.00 |
13.90 |
A |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
−1.950 |
−4.591 |
25.585 |
1.00 |
14.50 |
A |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
−3.736 |
−4.186 |
27.339 |
1.00 |
14.62 |
A |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
−4.703 |
−5.260 |
26.878 |
1.00 |
15.26 |
A |
ATOM |
5362 |
C |
ILE |
A |
53 |
−3.132 |
−1.312 |
27.213 |
1.00 |
13.08 |
A |
ATOM |
5363 |
O |
ILE |
A |
53 |
−3.373 |
−1.222 |
28.421 |
1.00 |
13.05 |
A |
ATOM |
5423 |
N |
HIS |
A |
62 |
−1.221 |
−0.970 |
22.034 |
1.00 |
11.06 |
A |
ATOM |
5424 |
CA |
HIS |
A |
62 |
−0.137 |
−1.598 |
22.788 |
1.00 |
10.38 |
A |
ATOM |
5425 |
CB |
HIS |
A |
62 |
0.135 |
−3.029 |
22.287 |
1.00 |
10.67 |
A |
ATOM |
5426 |
CG |
HIS |
A |
62 |
0.735 |
−3.103 |
20.917 |
1.00 |
11.13 |
A |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
1.972 |
−3.468 |
20.504 |
1.00 |
10.67 |
A |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
0.027 |
−2.801 |
19.773 |
1.00 |
11.52 |
A |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
0.800 |
−2.978 |
18.718 |
1.00 |
11.13 |
A |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
1.987 |
−3.383 |
19.134 |
1.00 |
12.00 |
A |
ATOM |
5431 |
C |
HIS |
A |
62 |
1.136 |
−0.748 |
22.707 |
1.00 |
9.83 |
A |
ATOM |
5432 |
O |
HIS |
A |
62 |
1.162 |
0.263 |
22.007 |
1.00 |
9.03 |
A |
ATOM |
5433 |
N |
GLN |
A |
63 |
2.169 |
−1.173 |
23.436 |
1.00 |
9.33 |
A |
ATOM |
5434 |
CA |
GLN |
A |
63 |
3.456 |
−0.486 |
23.515 |
1.00 |
8.74 |
A |
ATOM |
5435 |
CB |
GLN |
A |
63 |
4.009 |
−0.166 |
22.119 |
1.00 |
8.90 |
A |
ATOM |
5436 |
CG |
GLN |
A |
63 |
4.690 |
−1.358 |
21.414 |
1.00 |
8.45 |
A |
ATOM |
5437 |
CD |
GLN |
A |
63 |
6.016 |
−1.771 |
22.058 |
1.00 |
9.03 |
A |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
6.588 |
−1.032 |
22.858 |
1.00 |
7.87 |
A |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
6.513 |
−2.954 |
21.691 |
1.00 |
8.38 |
A |
ATOM |
5440 |
C |
GLN |
A |
63 |
3.316 |
0.778 |
24.362 |
1.00 |
8.66 |
A |
ATOM |
5441 |
O |
GLN |
A |
63 |
2.739 |
1.783 |
23.938 |
1.00 |
7.74 |
A |
ATOM |
5442 |
N |
SER |
A |
64 |
3.855 |
0.704 |
25.574 |
1.00 |
8.31 |
A |
ATOM |
5443 |
CA |
SER |
A |
64 |
3.766 |
1.789 |
26.543 |
1.00 |
8.33 |
A |
ATOM |
5444 |
CB |
SER |
A |
64 |
4.595 |
1.446 |
27.787 |
1.00 |
8.01 |
A |
ATOM |
5445 |
OG |
SER |
A |
64 |
5.978 |
1.416 |
27.493 |
1.00 |
7.87 |
A |
ATOM |
5446 |
C |
SER |
A |
64 |
4.153 |
3.172 |
26.040 |
1.00 |
8.36 |
A |
ATOM |
5447 |
O |
SER |
A |
64 |
3.435 |
4.133 |
26.290 |
1.00 |
8.26 |
A |
ATOM |
5448 |
N |
LEU |
A |
65 |
5.274 |
3.287 |
25.333 |
1.00 |
8.41 |
A |
ATOM |
5449 |
CA |
LEU |
A |
65 |
5.708 |
4.601 |
24.866 |
1.00 |
8.36 |
A |
ATOM |
5450 |
CB |
LEU |
A |
65 |
7.197 |
4.568 |
24.514 |
1.00 |
8.81 |
A |
ATOM |
5451 |
CG |
LEU |
A |
65 |
8.082 |
4.104 |
25.687 |
1.00 |
9.51 |
A |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
9.553 |
4.275 |
25.322 |
1.00 |
10.70 |
A |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
7.763 |
4.915 |
26.941 |
1.00 |
9.59 |
A |
ATOM |
5454 |
C |
LEU |
A |
65 |
4.867 |
5.102 |
23.691 |
1.00 |
8.52 |
A |
ATOM |
5455 |
O |
LEU |
A |
65 |
4.659 |
6.308 |
23.540 |
1.00 |
8.38 |
A |
ATOM |
5662 |
N |
ASP |
A |
93 |
13.380 |
7.412 |
24.678 |
1.00 |
8.42 |
A |
ATOM |
5663 |
CA |
ASP |
A |
93 |
13.975 |
6.203 |
24.118 |
1.00 |
9.01 |
A |
ATOM |
5664 |
CB |
ASP |
A |
93 |
14.076 |
6.291 |
22.584 |
1.00 |
9.85 |
A |
ATOM |
5665 |
CG |
ASP |
A |
93 |
12.788 |
5.838 |
21.886 |
1.00 |
11.05 |
A |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
12.750 |
5.784 |
20.630 |
1.00 |
11.80 |
A |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
11.809 |
5.531 |
22.605 |
1.00 |
11.10 |
A |
ATOM |
5668 |
C |
ASP |
A |
93 |
15.344 |
5.869 |
24.740 |
1.00 |
8.95 |
A |
ATOM |
5669 |
O |
ASP |
A |
93 |
15.656 |
4.696 |
24.951 |
1.00 |
9.47 |
A |
ATOM |
5670 |
N |
THR |
A |
94 |
16.156 |
6.881 |
25.036 |
1.00 |
8.96 |
A |
ATOM |
5671 |
CA |
THR |
A |
94 |
17.462 |
6.638 |
25.661 |
1.00 |
8.70 |
A |
ATOM |
5672 |
CB |
THR |
A |
94 |
18.240 |
7.965 |
25.849 |
1.00 |
9.08 |
A |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
18.678 |
8.430 |
24.568 |
1.00 |
8.81 |
A |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
19.462 |
7.778 |
26.759 |
1.00 |
8.34 |
A |
ATOM |
5675 |
C |
THR |
A |
94 |
17.264 |
5.948 |
27.017 |
1.00 |
9.09 |
A |
ATOM |
5676 |
O |
THR |
A |
94 |
17.967 |
4.987 |
27.347 |
1.00 |
8.99 |
A |
ATOM |
5677 |
N |
LEU |
A |
95 |
16.302 |
6.442 |
27.792 |
1.00 |
8.65 |
A |
ATOM |
5678 |
CA |
LEU |
A |
95 |
15.996 |
5.867 |
29.094 |
1.00 |
9.14 |
A |
ATOM |
5679 |
CB |
LEU |
A |
95 |
14.965 |
6.725 |
29.838 |
1.00 |
9.16 |
A |
ATOM |
5680 |
CG |
LEU |
A |
95 |
15.454 |
8.091 |
30.320 |
1.00 |
9.32 |
A |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
14.308 |
8.874 |
30.967 |
1.00 |
9.37 |
A |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
16.580 |
7.876 |
31.328 |
1.00 |
9.77 |
A |
ATOM |
5683 |
C |
LEU |
A |
95 |
15.462 |
4.452 |
28.934 |
1.00 |
9.18 |
A |
ATOM |
5684 |
O |
LEU |
A |
95 |
15.891 |
3.539 |
29.634 |
1.00 |
8.68 |
A |
ATOM |
5685 |
N |
ASP |
A |
96 |
14.529 |
4.272 |
28.003 |
1.00 |
9.39 |
A |
ATOM |
5686 |
CA |
ASP |
A |
96 |
13.950 |
2.960 |
27.759 |
1.00 |
9.93 |
A |
ATOM |
5687 |
CB |
ASP |
A |
96 |
12.878 |
3.058 |
26.668 |
1.00 |
11.27 |
A |
ATOM |
5688 |
CG |
ASP |
A |
96 |
12.035 |
1.796 |
26.564 |
1.00 |
12.51 |
A |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
11.700 |
1.220 |
27.616 |
1.00 |
14.48 |
A |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
11.698 |
1.382 |
25.444 |
1.00 |
13.59 |
A |
ATOM |
5691 |
C |
ASP |
A |
96 |
15.051 |
1.981 |
27.354 |
1.00 |
9.66 |
A |
ATOM |
5692 |
O |
ASP |
A |
96 |
15.094 |
0.854 |
27.845 |
1.00 |
9.47 |
A |
ATOM |
5693 |
N |
ASP |
A |
97 |
15.951 |
2.419 |
26.476 |
1.00 |
9.43 |
A |
ATOM |
5694 |
CA |
ASP |
A |
97 |
17.054 |
1.567 |
26.034 |
1.00 |
9.98 |
A |
ATOM |
5695 |
CB |
ASP |
A |
97 |
18.033 |
2.334 |
25.134 |
1.00 |
9.49 |
A |
ATOM |
5696 |
CG |
ASP |
A |
97 |
17.466 |
2.650 |
23.760 |
1.00 |
10.73 |
A |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
18.142 |
3.390 |
23.013 |
1.00 |
10.05 |
A |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
16.365 |
2.164 |
23.425 |
1.00 |
10.69 |
A |
ATOM |
5699 |
C |
ASP |
A |
97 |
17.845 |
1.038 |
27.230 |
1.00 |
10.11 |
A |
ATOM |
5700 |
O |
ASP |
A |
97 |
18.159 |
−0.150 |
27.296 |
1.00 |
10.03 |
A |
ATOM |
5701 |
N |
PHE |
A |
98 |
18.185 |
1.923 |
28.164 |
1.00 |
10.63 |
A |
ATOM |
5702 |
CA |
PHE |
A |
98 |
18.965 |
1.507 |
29.325 |
1.00 |
11.09 |
A |
ATOM |
5703 |
CB |
PHE |
A |
98 |
19.440 |
2.717 |
30.134 |
1.00 |
11.78 |
A |
ATOM |
5704 |
CG |
PHE |
A |
98 |
20.383 |
2.358 |
31.255 |
1.00 |
12.44 |
A |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
21.628 |
1.793 |
30.983 |
1.00 |
12.99 |
A |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
20.016 |
2.555 |
32.579 |
1.00 |
12.82 |
A |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
22.494 |
1.425 |
32.022 |
1.00 |
13.35 |
A |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
20.869 |
2.193 |
33.623 |
1.00 |
13.21 |
A |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
22.109 |
1.627 |
33.343 |
1.00 |
13.21 |
A |
ATOM |
5710 |
C |
PHE |
A |
98 |
18.181 |
0.565 |
30.231 |
1.00 |
11.33 |
A |
ATOM |
5711 |
O |
PHE |
A |
98 |
18.683 |
−0.494 |
30.616 |
1.00 |
11.57 |
A |
ATOM |
5712 |
N |
MET |
A |
99 |
16.951 |
0.944 |
30.568 |
1.00 |
11.37 |
A |
ATOM |
5713 |
CA |
MET |
A |
99 |
16.125 |
0.113 |
31.429 |
1.00 |
12.06 |
A |
ATOM |
5714 |
CB |
MET |
A |
99 |
14.782 |
0.796 |
31.715 |
1.00 |
12.55 |
A |
ATOM |
5715 |
CG |
MET |
A |
99 |
14.894 |
2.142 |
32.413 |
1.00 |
13.10 |
A |
ATOM |
5716 |
SD |
MET |
A |
99 |
15.806 |
2.070 |
33.972 |
1.00 |
14.07 |
A |
ATOM |
5717 |
CE |
MET |
A |
99 |
14.630 |
1.211 |
35.020 |
1.00 |
14.27 |
A |
ATOM |
5718 |
C |
MET |
A |
99 |
15.877 |
−1.260 |
30.812 |
1.00 |
12.60 |
A |
ATOM |
5719 |
O |
MET |
A |
99 |
15.754 |
−2.253 |
31.528 |
1.00 |
12.65 |
A |
ATOM |
5720 |
N |
SER |
A |
100 |
15.807 |
−1.316 |
29.484 |
1.00 |
12.96 |
A |
ATOM |
5721 |
CA |
SER |
A |
100 |
15.567 |
−2.576 |
28.784 |
1.00 |
13.81 |
A |
ATOM |
5722 |
CB |
SER |
A |
100 |
15.121 |
−2.302 |
27.344 |
1.00 |
14.23 |
A |
ATOM |
5723 |
OG |
SER |
A |
100 |
13.828 |
−1.725 |
27.328 |
1.00 |
15.92 |
A |
ATOM |
5724 |
C |
SER |
A |
100 |
16.789 |
−3.494 |
28.785 |
1.00 |
14.13 |
A |
ATOM |
5725 |
O |
SER |
A |
100 |
16.669 |
−4.686 |
28.507 |
1.00 |
14.04 |
A |
ATOM |
5726 |
N |
CYS |
A |
101 |
17.959 |
−2.938 |
29.097 |
1.00 |
14.67 |
A |
ATOM |
5727 |
CA |
CYS |
A |
101 |
19.187 |
−3.723 |
29.152 |
1.00 |
15.64 |
A |
ATOM |
5728 |
CB |
CYS |
A |
101 |
20.415 |
−2.812 |
29.235 |
1.00 |
16.10 |
A |
ATOM |
5729 |
SG |
CYS |
A |
101 |
20.893 |
−2.013 |
27.701 |
1.00 |
17.92 |
A |
ATOM |
5730 |
C |
CYS |
A |
101 |
19.197 |
−4.670 |
30.350 |
1.00 |
15.85 |
A |
ATOM |
5731 |
O |
CYS |
A |
101 |
19.926 |
−5.662 |
30.350 |
1.00 |
15.88 |
A |
ATOM |
5732 |
N |
PHE |
A |
102 |
18.404 |
−4.361 |
31.373 |
1.00 |
15.73 |
A |
ATOM |
5733 |
CA |
PHE |
A |
102 |
18.343 |
−5.214 |
32.562 |
1.00 |
15.76 |
A |
ATOM |
5734 |
CB |
PHE |
A |
102 |
17.748 |
−4.462 |
33.754 |
1.00 |
15.27 |
A |
ATOM |
5735 |
CG |
PHE |
A |
102 |
18.613 |
−3.348 |
34.258 |
1.00 |
15.10 |
A |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
18.642 |
−2.125 |
33.600 |
1.00 |
14.99 |
A |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
19.414 |
−3.527 |
35.380 |
1.00 |
14.73 |
A |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
19.457 |
−1.092 |
34.050 |
1.00 |
15.09 |
A |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
20.237 |
−2.500 |
35.841 |
1.00 |
14.94 |
A |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
20.256 |
−1.280 |
35.174 |
1.00 |
14.83 |
A |
ATOM |
5741 |
C |
PHE |
A |
102 |
17.505 |
−6.455 |
32.295 |
1.00 |
16.19 |
A |
ATOM |
5742 |
O |
PHE |
A |
102 |
16.415 |
−6.366 |
31.728 |
1.00 |
15.63 |
A |
ATOM |
5743 |
N |
PRO |
A |
103 |
18.009 |
−7.632 |
32.699 |
1.00 |
16.76 |
A |
ATOM |
5744 |
CD |
PRO |
A |
103 |
19.356 |
−7.845 |
33.260 |
1.00 |
17.02 |
A |
ATOM |
5745 |
CA |
PRO |
A |
103 |
17.319 |
−8.914 |
32.512 |
1.00 |
17.47 |
A |
ATOM |
5746 |
CB |
PRO |
A |
103 |
18.456 |
−9.923 |
32.609 |
1.00 |
17.20 |
A |
ATOM |
5747 |
CG |
PRO |
A |
103 |
19.315 |
−9.315 |
33.668 |
1.00 |
17.07 |
A |
ATOM |
5748 |
C |
PRO |
A |
103 |
16.246 |
−9.145 |
33.577 |
1.00 |
18.16 |
A |
ATOM |
5749 |
O |
PRO |
A |
103 |
16.363 |
−10.043 |
34.418 |
1.00 |
18.22 |
A |
ATOM |
5750 |
N |
TRP |
A |
104 |
15.197 |
−8.331 |
33.525 |
1.00 |
18.78 |
A |
ATOM |
5751 |
CA |
TRP |
A |
104 |
14.099 |
−8.414 |
34.482 |
1.00 |
19.84 |
A |
ATOM |
5752 |
CB |
TRP |
A |
104 |
13.017 |
−7.381 |
34.141 |
1.00 |
18.95 |
A |
ATOM |
5753 |
CG |
TRP |
A |
104 |
13.517 |
−5.971 |
34.076 |
1.00 |
18.24 |
A |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
13.896 |
−5.144 |
35.182 |
1.00 |
17.79 |
A |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
14.321 |
−3.906 |
34.652 |
1.00 |
17.69 |
A |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
13.921 |
−5.329 |
36.572 |
1.00 |
17.54 |
A |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
13.720 |
−5.224 |
32.951 |
1.00 |
17.72 |
A |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
14.201 |
−3.981 |
33.289 |
1.00 |
17.64 |
A |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
14.765 |
−2.856 |
35.463 |
1.00 |
17.79 |
A |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
14.363 |
−4.282 |
37.379 |
1.00 |
17.58 |
A |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
14.778 |
−3.064 |
36.820 |
1.00 |
17.48 |
A |
ATOM |
5762 |
C |
TRP |
A |
104 |
13.449 |
−9.790 |
34.572 |
1.00 |
20.99 |
A |
ATOM |
5763 |
O |
TRP |
A |
104 |
13.031 |
−10.207 |
35.650 |
1.00 |
21.33 |
A |
ATOM |
5764 |
N |
ALA |
A |
105 |
13.359 |
−10.493 |
33.447 |
1.00 |
22.46 |
A |
ATOM |
5765 |
CA |
ALA |
A |
105 |
12.720 |
−11.807 |
33.434 |
1.00 |
23.88 |
A |
ATOM |
5766 |
CB |
ALA |
A |
105 |
11.878 |
−11.961 |
32.169 |
1.00 |
23.69 |
A |
ATOM |
5767 |
C |
ALA |
A |
105 |
13.685 |
−12.982 |
33.565 |
1.00 |
24.90 |
A |
ATOM |
5768 |
O |
ALA |
A |
105 |
13.262 |
−14.136 |
33.576 |
1.00 |
25.13 |
A |
ATOM |
5769 |
N |
GLU |
A |
106 |
14.976 |
−12.686 |
33.675 |
1.00 |
26.10 |
A |
ATOM |
5770 |
CA |
GLU |
A |
106 |
15.996 |
−13.721 |
33.803 |
1.00 |
27.43 |
A |
ATOM |
5771 |
CB |
GLU |
A |
106 |
17.388 |
−13.083 |
33.790 |
1.00 |
27.61 |
A |
ATOM |
5772 |
CG |
GLU |
A |
106 |
18.550 |
−14.065 |
33.842 |
1.00 |
28.16 |
A |
ATOM |
5773 |
CD |
GLU |
A |
106 |
18.455 |
−15.144 |
32.775 |
1.00 |
28.35 |
A |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
17.850 |
−16.200 |
33.045 |
1.00 |
28.68 |
A |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
18.973 |
−14.931 |
31.662 |
1.00 |
28.90 |
A |
ATOM |
5776 |
C |
GLU |
A |
106 |
15.823 |
−14.543 |
35.077 |
1.00 |
28.31 |
A |
ATOM |
5777 |
O |
GLU |
A |
106 |
15.898 |
−14.010 |
36.185 |
1.00 |
28.41 |
A |
ATOM |
5778 |
N |
LYS |
A |
107 |
15.591 |
−15.842 |
34.908 |
1.00 |
29.48 |
A |
ATOM |
5779 |
CA |
LYS |
A |
107 |
15.420 |
−16.754 |
36.038 |
1.00 |
30.63 |
A |
ATOM |
5780 |
CB |
LYS |
A |
107 |
14.695 |
−18.028 |
35.594 |
1.00 |
31.06 |
A |
ATOM |
5781 |
CG |
LYS |
A |
107 |
13.187 |
−18.016 |
35.779 |
1.00 |
31.97 |
A |
ATOM |
5782 |
CD |
LYS |
A |
107 |
12.495 |
−17.030 |
34.864 |
1.00 |
32.92 |
A |
ATOM |
5783 |
CE |
LYS |
A |
107 |
10.983 |
−17.201 |
34.945 |
1.00 |
33.65 |
A |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
10.485 |
−17.067 |
36.346 |
1.00 |
34.05 |
A |
ATOM |
5785 |
C |
LYS |
A |
107 |
16.775 |
−17.133 |
36.630 |
1.00 |
31.06 |
A |
ATOM |
5786 |
O |
LYS |
A |
107 |
16.874 |
−17.465 |
37.810 |
1.00 |
31.19 |
A |
ATOM |
5787 |
N |
LYS |
A |
108 |
17.810 |
−17.094 |
35.796 |
1.00 |
31.69 |
A |
ATOM |
5788 |
CA |
LYS |
A |
108 |
19.163 |
−17.421 |
36.231 |
1.00 |
32.35 |
A |
ATOM |
5789 |
CB |
LYS |
A |
108 |
20.082 |
−17.563 |
35.017 |
1.00 |
32.50 |
A |
ATOM |
5790 |
CG |
LYS |
A |
108 |
19.634 |
−18.632 |
34.033 |
1.00 |
32.81 |
A |
ATOM |
5791 |
CD |
LYS |
A |
108 |
20.454 |
−18.602 |
32.757 |
1.00 |
33.35 |
A |
ATOM |
5792 |
CE |
LYS |
A |
108 |
19.977 |
−19.664 |
31.777 |
1.00 |
33.34 |
A |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
20.660 |
−19.552 |
30.454 |
1.00 |
33.69 |
A |
ATOM |
5794 |
C |
LYS |
A |
108 |
19.668 |
−16.305 |
37.143 |
1.00 |
32.68 |
A |
ATOM |
5795 |
O |
LYS |
A |
108 |
20.180 |
−15.288 |
36.675 |
1.00 |
32.69 |
A |
ATOM |
5796 |
N |
GLN |
A |
109 |
19.518 |
−16.510 |
38.447 |
1.00 |
33.05 |
A |
ATOM |
5797 |
CA |
GLN |
A |
109 |
19.923 |
−15.529 |
39.443 |
1.00 |
33.40 |
A |
ATOM |
5798 |
CB |
GLN |
A |
109 |
19.719 |
−16.101 |
40.846 |
1.00 |
34.05 |
A |
ATOM |
5799 |
CG |
GLN |
A |
109 |
18.943 |
−15.175 |
41.763 |
1.00 |
34.95 |
A |
ATOM |
5800 |
CD |
GLN |
A |
109 |
17.561 |
−14.854 |
41.223 |
1.00 |
35.27 |
A |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
16.934 |
−13.878 |
41.633 |
1.00 |
35.73 |
A |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
17.077 |
−15.682 |
40.301 |
1.00 |
35.62 |
A |
ATOM |
5803 |
C |
GLN |
A |
109 |
21.360 |
−15.042 |
39.293 |
1.00 |
33.21 |
A |
ATOM |
5804 |
O |
GLN |
A |
109 |
21.619 |
−13.842 |
39.374 |
1.00 |
33.28 |
A |
ATOM |
5805 |
N |
ASP |
A |
110 |
22.290 |
−15.966 |
39.078 |
1.00 |
32.78 |
A |
ATOM |
5806 |
CA |
ASP |
A |
110 |
23.692 |
−15.597 |
38.927 |
1.00 |
32.30 |
A |
ATOM |
5807 |
CB |
ASP |
A |
110 |
24.569 |
−16.852 |
38.841 |
1.00 |
32.93 |
A |
ATOM |
5808 |
CG |
ASP |
A |
110 |
24.303 |
−17.670 |
37.592 |
1.00 |
33.42 |
A |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
23.137 |
−18.065 |
37.371 |
1.00 |
33.92 |
A |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
25.263 |
−17.921 |
36.832 |
1.00 |
33.95 |
A |
ATOM |
5811 |
C |
ASP |
A |
110 |
23.891 |
−14.734 |
37.684 |
1.00 |
31.55 |
A |
ATOM |
5812 |
O |
ASP |
A |
110 |
24.641 |
−13.759 |
37.708 |
1.00 |
31.47 |
A |
ATOM |
5813 |
N |
VAL |
A |
111 |
23.211 |
−15.096 |
36.600 |
1.00 |
30.50 |
A |
ATOM |
5814 |
CA |
VAL |
A |
111 |
23.310 |
−14.352 |
35.350 |
1.00 |
29.55 |
A |
ATOM |
5815 |
CB |
VAL |
A |
111 |
22.661 |
−15.130 |
34.188 |
1.00 |
29.61 |
A |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
22.743 |
−14.322 |
32.907 |
1.00 |
29.78 |
A |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
23.353 |
−16.469 |
34.017 |
1.00 |
29.84 |
A |
ATOM |
5818 |
C |
VAL |
A |
111 |
22.613 |
−13.000 |
35.485 |
1.00 |
28.61 |
A |
ATOM |
5819 |
O |
VAL |
A |
111 |
23.069 |
−11.995 |
34.939 |
1.00 |
28.38 |
A |
ATOM |
5820 |
N |
LYS |
A |
112 |
21.509 |
−12.986 |
36.224 |
1.00 |
27.55 |
A |
ATOM |
5821 |
CA |
LYS |
A |
112 |
20.746 |
−11.763 |
36.435 |
1.00 |
26.48 |
A |
ATOM |
5822 |
CB |
LYS |
A |
112 |
19.414 |
−12.083 |
37.117 |
1.00 |
26.47 |
A |
ATOM |
5823 |
CG |
LYS |
A |
112 |
18.452 |
−10.907 |
37.177 |
1.00 |
25.94 |
A |
ATOM |
5824 |
CD |
LYS |
A |
112 |
17.173 |
−11.278 |
37.904 |
1.00 |
26.05 |
A |
ATOM |
5825 |
CE |
LYS |
A |
112 |
16.181 |
−10.125 |
37.906 |
1.00 |
25.77 |
A |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
14.951 |
−10.457 |
38.676 |
1.00 |
25.64 |
A |
ATOM |
5827 |
C |
LYS |
A |
112 |
21.523 |
−10.765 |
37.287 |
1.00 |
26.12 |
A |
ATOM |
5828 |
O |
LYS |
A |
112 |
21.631 |
−9.589 |
36.941 |
1.00 |
25.60 |
A |
ATOM |
5829 |
N |
GLU |
A |
113 |
22.062 |
−11.243 |
38.404 |
1.00 |
25.24 |
A |
ATOM |
5830 |
CA |
GLU |
A |
113 |
22.818 |
−10.393 |
39.314 |
1.00 |
25.10 |
A |
ATOM |
5831 |
CB |
GLU |
A |
113 |
23.128 |
−11.159 |
40.605 |
1.00 |
25.39 |
A |
ATOM |
5832 |
CG |
GLU |
A |
113 |
23.862 |
−10.347 |
41.669 |
1.00 |
25.63 |
A |
ATOM |
5833 |
CD |
GLU |
A |
113 |
23.026 |
−9.213 |
42.248 |
1.00 |
25.83 |
A |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
23.522 |
−8.525 |
43.170 |
1.00 |
25.56 |
A |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
21.880 |
−9.008 |
41.786 |
1.00 |
25.58 |
A |
ATOM |
5836 |
C |
GLU |
A |
113 |
24.113 |
−9.891 |
38.676 |
1.00 |
24.67 |
A |
ATOM |
5837 |
O |
GLU |
A |
113 |
24.578 |
−8.791 |
38.975 |
1.00 |
24.33 |
A |
ATOM |
5838 |
N |
GLN |
A |
114 |
24.689 |
−10.702 |
37.796 |
1.00 |
24.42 |
A |
ATOM |
5839 |
CA |
GLN |
A |
114 |
25.926 |
−10.341 |
37.116 |
1.00 |
24.24 |
A |
ATOM |
5840 |
CB |
GLN |
A |
114 |
26.438 |
−11.538 |
36.308 |
1.00 |
24.91 |
A |
ATOM |
5841 |
CG |
GLN |
A |
114 |
27.868 |
−11.417 |
35.789 |
1.00 |
25.97 |
A |
ATOM |
5842 |
CD |
GLN |
A |
114 |
28.030 |
−10.372 |
34.700 |
1.00 |
26.74 |
A |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
27.278 |
−10.353 |
33.723 |
1.00 |
26.88 |
A |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
29.026 |
−9.502 |
34.856 |
1.00 |
27.12 |
A |
ATOM |
5845 |
C |
GLN |
A |
114 |
25.685 |
−9.148 |
36.193 |
1.00 |
23.68 |
A |
ATOM |
5846 |
O |
GLN |
A |
114 |
26.465 |
−8.194 |
36.180 |
1.00 |
23.45 |
A |
ATOM |
5847 |
N |
MET |
A |
115 |
24.598 |
−9.196 |
35.429 |
1.00 |
22.98 |
A |
ATOM |
5848 |
CA |
MET |
A |
115 |
24.284 |
−8.113 |
34.503 |
1.00 |
22.57 |
A |
ATOM |
5849 |
CB |
MET |
A |
115 |
23.229 |
−8.566 |
33.489 |
1.00 |
24.00 |
A |
ATOM |
5850 |
CG |
MET |
A |
115 |
22.980 |
−7.560 |
32.371 |
1.00 |
25.61 |
A |
ATOM |
5851 |
SD |
MET |
A |
115 |
24.507 |
−6.939 |
31.592 |
1.00 |
28.29 |
A |
ATOM |
5852 |
CE |
MET |
A |
115 |
24.966 |
−8.333 |
30.583 |
1.00 |
27.44 |
A |
ATOM |
5853 |
C |
MET |
A |
115 |
23.815 |
−6.855 |
35.228 |
1.00 |
21.47 |
A |
ATOM |
5854 |
O |
MET |
A |
115 |
24.191 |
−5.747 |
34.851 |
1.00 |
20.89 |
A |
ATOM |
5855 |
N |
PHE |
A |
116 |
22.998 |
−7.025 |
36.265 |
1.00 |
20.55 |
A |
ATOM |
5856 |
CA |
PHE |
A |
116 |
22.515 |
−5.882 |
37.033 |
1.00 |
19.83 |
A |
ATOM |
5857 |
CB |
PHE |
A |
116 |
21.626 |
−6.334 |
38.195 |
1.00 |
19.24 |
A |
ATOM |
5858 |
CG |
PHE |
A |
116 |
20.154 |
−6.260 |
37.901 |
1.00 |
18.22 |
A |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
19.554 |
−7.163 |
37.030 |
1.00 |
17.96 |
A |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
19.368 |
−5.284 |
38.501 |
1.00 |
17.91 |
A |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
18.186 |
−7.096 |
36.761 |
1.00 |
17.74 |
A |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
18.001 |
−5.205 |
38.241 |
1.00 |
17.75 |
A |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
17.409 |
−6.114 |
37.368 |
1.00 |
17.62 |
A |
ATOM |
5864 |
C |
PHE |
A |
116 |
23.701 |
−5.110 |
37.593 |
1.00 |
20.07 |
A |
ATOM |
5865 |
O |
PHE |
A |
116 |
23.789 |
−3.891 |
37.450 |
1.00 |
19.59 |
A |
ATOM |
6152 |
N |
TYR |
A |
152 |
9.211 |
10.332 |
32.716 |
1.00 |
8.70 |
A |
ATOM |
6153 |
CA |
TYR |
A |
152 |
9.897 |
9.070 |
32.511 |
1.00 |
8.91 |
A |
ATOM |
6154 |
CB |
TYR |
A |
152 |
10.120 |
8.824 |
31.021 |
1.00 |
9.31 |
A |
ATOM |
6155 |
CG |
TYR |
A |
152 |
10.158 |
7.355 |
30.660 |
1.00 |
10.11 |
A |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
9.197 |
6.466 |
31.160 |
1.00 |
10.35 |
A |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
9.215 |
5.109 |
30.811 |
1.00 |
10.49 |
A |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
11.137 |
6.854 |
29.804 |
1.00 |
10.28 |
A |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
11.160 |
5.505 |
29.448 |
1.00 |
10.37 |
A |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
10.206 |
4.642 |
29.950 |
1.00 |
10.60 |
A |
ATOM |
6161 |
OH |
TYR |
A |
152 |
10.245 |
3.314 |
29.587 |
1.00 |
10.57 |
A |
ATOM |
6162 |
C |
TYR |
A |
152 |
11.211 |
9.033 |
33.272 |
1.00 |
9.20 |
A |
ATOM |
6163 |
O |
TYR |
A |
152 |
11.622 |
7.982 |
33.759 |
1.00 |
9.19 |
A |
ATOM |
6164 |
N |
TRP |
A |
153 |
11.869 |
10.180 |
33.386 |
1.00 |
9.22 |
A |
ATOM |
6165 |
CA |
TRP |
A |
153 |
13.113 |
10.224 |
34.135 |
1.00 |
9.64 |
A |
ATOM |
6166 |
CB |
TRP |
A |
153 |
13.752 |
11.613 |
34.067 |
1.00 |
10.03 |
A |
ATOM |
6167 |
CG |
TRP |
A |
153 |
14.748 |
11.836 |
35.157 |
1.00 |
10.79 |
A |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
15.900 |
11.033 |
35.441 |
1.00 |
11.30 |
A |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
16.521 |
11.583 |
36.585 |
1.00 |
11.43 |
A |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
16.467 |
9.899 |
34.841 |
1.00 |
11.63 |
A |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
14.717 |
12.816 |
36.111 |
1.00 |
10.88 |
A |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
15.780 |
12.669 |
36.974 |
1.00 |
11.27 |
A |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
17.682 |
11.040 |
37.142 |
1.00 |
11.66 |
A |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
17.629 |
9.354 |
35.398 |
1.00 |
12.00 |
A |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
18.221 |
9.931 |
36.539 |
1.00 |
11.19 |
A |
ATOM |
6176 |
C |
TRP |
A |
153 |
12.836 |
9.867 |
35.593 |
1.00 |
9.64 |
A |
ATOM |
6177 |
O |
TRP |
A |
153 |
13.518 |
9.022 |
36.175 |
1.00 |
9.85 |
A |
ATOM |
6178 |
N |
GLU |
A |
154 |
11.827 |
10.504 |
36.177 |
1.00 |
9.88 |
A |
ATOM |
6179 |
CA |
GLU |
A |
154 |
11.491 |
10.260 |
37.570 |
1.00 |
9.73 |
A |
ATOM |
6180 |
CB |
GLU |
A |
154 |
10.379 |
11.222 |
38.007 |
1.00 |
10.24 |
A |
ATOM |
6181 |
CG |
GLU |
A |
154 |
10.187 |
11.310 |
39.509 |
1.00 |
11.28 |
A |
ATOM |
6182 |
CD |
GLU |
A |
154 |
9.315 |
10.199 |
40.035 |
1.00 |
11.50 |
A |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
9.291 |
9.987 |
41.267 |
1.00 |
12.33 |
A |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
8.645 |
9.543 |
39.207 |
1.00 |
12.17 |
A |
ATOM |
6185 |
C |
GLU |
A |
154 |
11.081 |
8.802 |
37.785 |
1.00 |
9.53 |
A |
ATOM |
6186 |
O |
GLU |
A |
154 |
11.468 |
8.180 |
38.776 |
1.00 |
9.12 |
A |
ATOM |
6187 |
N |
ILE |
A |
155 |
10.320 |
8.257 |
36.837 |
1.00 |
8.98 |
A |
ATOM |
6188 |
CA |
ILE |
A |
155 |
9.870 |
6.875 |
36.904 |
1.00 |
8.87 |
A |
ATOM |
6189 |
CB |
ILE |
A |
155 |
8.810 |
6.599 |
35.815 |
1.00 |
8.72 |
A |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
8.550 |
5.097 |
35.683 |
1.00 |
9.06 |
A |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
7.524 |
7.354 |
36.173 |
1.00 |
8.74 |
A |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
6.467 |
7.383 |
35.064 |
1.00 |
8.73 |
A |
ATOM |
6193 |
C |
ILE |
A |
155 |
11.035 |
5.888 |
36.782 |
1.00 |
9.35 |
A |
ATOM |
6194 |
O |
ILE |
A |
155 |
11.180 |
4.986 |
37.609 |
1.00 |
9.36 |
A |
ATOM |
6195 |
N |
CYS |
A |
156 |
11.873 |
6.063 |
35.766 |
1.00 |
9.31 |
A |
ATOM |
6196 |
CA |
CYS |
A |
156 |
13.012 |
5.175 |
35.589 |
1.00 |
10.15 |
A |
ATOM |
6197 |
CB |
CYS |
A |
156 |
13.734 |
5.471 |
34.269 |
1.00 |
10.37 |
A |
ATOM |
6198 |
SG |
CYS |
A |
156 |
12.770 |
5.037 |
32.774 |
1.00 |
11.81 |
A |
ATOM |
6199 |
C |
CYS |
A |
156 |
14.008 |
5.280 |
36.741 |
1.00 |
10.50 |
A |
ATOM |
6200 |
O |
CYS |
A |
156 |
14.480 |
4.262 |
37.247 |
1.00 |
10.92 |
A |
ATOM |
6201 |
N |
SER |
A |
157 |
14.325 |
6.499 |
37.163 |
1.00 |
10.75 |
A |
ATOM |
6202 |
CA |
SER |
A |
157 |
15.291 |
6.680 |
38.246 |
1.00 |
10.88 |
A |
ATOM |
6203 |
CB |
SER |
A |
157 |
15.633 |
8.167 |
38.431 |
1.00 |
11.09 |
A |
ATOM |
6204 |
OG |
SER |
A |
157 |
14.501 |
8.948 |
38.749 |
1.00 |
11.29 |
A |
ATOM |
6205 |
C |
SER |
A |
157 |
14.813 |
6.073 |
39.565 |
1.00 |
11.31 |
A |
ATOM |
6206 |
O |
SER |
A |
157 |
15.618 |
5.576 |
40.357 |
1.00 |
11.45 |
A |
ATOM |
6207 |
N |
THR |
A |
158 |
13.506 |
6.113 |
39.799 |
1.00 |
11.14 |
A |
ATOM |
6208 |
CA |
THR |
A |
158 |
12.932 |
5.538 |
41.008 |
1.00 |
11.46 |
A |
ATOM |
6209 |
CB |
THR |
A |
158 |
11.396 |
5.654 |
40.996 |
1.00 |
10.96 |
A |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
11.028 |
7.026 |
41.168 |
1.00 |
11.35 |
A |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
10.775 |
4.806 |
42.114 |
1.00 |
10.93 |
A |
ATOM |
6212 |
C |
THR |
A |
158 |
13.310 |
4.059 |
41.104 |
1.00 |
11.75 |
A |
ATOM |
6213 |
O |
THR |
A |
158 |
13.749 |
3.588 |
42.151 |
1.00 |
11.75 |
A |
ATOM |
6214 |
N |
THR |
A |
159 |
13.139 |
3.328 |
40.006 |
1.00 |
11.91 |
A |
ATOM |
6215 |
CA |
THR |
A |
159 |
13.470 |
1.910 |
40.002 |
1.00 |
12.52 |
A |
ATOM |
6216 |
CB |
THR |
A |
159 |
12.884 |
1.205 |
38.760 |
1.00 |
12.63 |
A |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
11.455 |
1.252 |
38.832 |
1.00 |
12.91 |
A |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
13.327 |
−0.263 |
38.705 |
1.00 |
12.73 |
A |
ATOM |
6219 |
C |
THR |
A |
159 |
14.978 |
1.666 |
40.084 |
1.00 |
12.45 |
A |
ATOM |
6220 |
O |
THR |
A |
159 |
15.424 |
0.723 |
40.739 |
1.00 |
12.48 |
A |
ATOM |
6221 |
N |
LEU |
A |
160 |
15.767 |
2.516 |
39.436 |
1.00 |
12.52 |
A |
ATOM |
6222 |
CA |
LEU |
A |
160 |
17.215 |
2.356 |
39.490 |
1.00 |
12.72 |
A |
ATOM |
6223 |
CB |
LEU |
A |
160 |
17.908 |
3.355 |
38.555 |
1.00 |
12.33 |
A |
ATOM |
6224 |
CG |
LEU |
A |
160 |
17.690 |
3.148 |
37.047 |
1.00 |
13.04 |
A |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
18.367 |
4.267 |
36.268 |
1.00 |
12.38 |
A |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
18.247 |
1.793 |
36.629 |
1.00 |
12.53 |
A |
ATOM |
6227 |
C |
LEU |
A |
160 |
17.716 |
2.563 |
40.922 |
1.00 |
12.87 |
A |
ATOM |
6228 |
O |
LEU |
A |
160 |
18.607 |
1.850 |
41.380 |
1.00 |
13.07 |
A |
ATOM |
6229 |
N |
LEU |
A |
161 |
17.130 |
3.528 |
41.628 |
1.00 |
13.22 |
A |
ATOM |
6230 |
CA |
LEU |
A |
161 |
17.530 |
3.828 |
43.000 |
1.00 |
13.77 |
A |
ATOM |
6231 |
CB |
LEU |
A |
161 |
16.833 |
5.102 |
43.490 |
1.00 |
13.77 |
A |
ATOM |
6232 |
CG |
LEU |
A |
161 |
17.314 |
6.417 |
42.863 |
1.00 |
13.80 |
A |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
16.371 |
7.552 |
43.241 |
1.00 |
13.46 |
A |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
18.736 |
6.723 |
43.329 |
1.00 |
13.49 |
A |
ATOM |
6235 |
C |
LEU |
A |
161 |
17.252 |
2.684 |
43.967 |
1.00 |
14.34 |
A |
ATOM |
6236 |
O |
LEU |
A |
161 |
17.839 |
2.619 |
45.050 |
1.00 |
14.37 |
A |
ATOM |
6237 |
N |
VAL |
A |
162 |
16.350 |
1.792 |
43.578 |
1.00 |
14.42 |
A |
ATOM |
6238 |
CA |
VAL |
A |
162 |
16.019 |
0.639 |
44.404 |
1.00 |
15.39 |
A |
ATOM |
6239 |
CB |
VAL |
A |
162 |
14.826 |
−0.146 |
43.813 |
1.00 |
15.43 |
A |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
14.643 |
−1.467 |
44.565 |
1.00 |
15.56 |
A |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
13.559 |
0.698 |
43.910 |
1.00 |
15.37 |
A |
ATOM |
6242 |
C |
VAL |
A |
162 |
17.232 |
−0.289 |
44.493 |
1.00 |
16.01 |
A |
ATOM |
6243 |
O |
VAL |
A |
162 |
17.490 |
−0.899 |
45.535 |
1.00 |
16.21 |
A |
ATOM |
6244 |
N |
PHE |
A |
163 |
17.982 |
−0.381 |
43.399 |
1.00 |
16.34 |
A |
ATOM |
6245 |
CA |
PHE |
A |
163 |
19.160 |
−1.237 |
43.354 |
1.00 |
17.20 |
A |
ATOM |
6246 |
CB |
PHE |
A |
163 |
19.218 |
−1.999 |
42.026 |
1.00 |
17.31 |
A |
ATOM |
6247 |
CG |
PHE |
A |
163 |
17.979 |
−2.791 |
41.729 |
1.00 |
18.00 |
A |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
16.865 |
−2.177 |
41.173 |
1.00 |
18.03 |
A |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
17.917 |
−4.149 |
42.029 |
1.00 |
18.06 |
A |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
15.704 |
−2.900 |
40.922 |
1.00 |
18.23 |
A |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
16.757 |
−4.884 |
41.782 |
1.00 |
18.01 |
A |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
15.649 |
−4.258 |
41.227 |
1.00 |
18.18 |
A |
ATOM |
6253 |
C |
PHE |
A |
163 |
20.470 |
−0.482 |
43.553 |
1.00 |
17.48 |
A |
ATOM |
6254 |
O |
PHE |
A |
163 |
21.473 |
−1.078 |
43.937 |
1.00 |
17.90 |
A |
ATOM |
6528 |
N |
THR |
A |
197 |
4.591 |
−0.941 |
45.453 |
1.00 |
17.89 |
A |
ATOM |
6529 |
CA |
THR |
A |
197 |
5.221 |
−2.157 |
44.953 |
1.00 |
17.58 |
A |
ATOM |
6530 |
CB |
THR |
A |
197 |
4.623 |
−2.571 |
43.592 |
1.00 |
17.29 |
A |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
4.796 |
−1.501 |
42.652 |
1.00 |
17.06 |
A |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
3.135 |
−2.881 |
43.732 |
1.00 |
17.03 |
A |
ATOM |
6533 |
C |
THR |
A |
197 |
6.712 |
−1.903 |
44.780 |
1.00 |
17.29 |
A |
ATOM |
6534 |
O |
THR |
A |
197 |
7.139 |
−0.757 |
44.661 |
1.00 |
17.19 |
A |
ATOM |
6535 |
N |
LYS |
A |
198 |
7.507 |
−2.967 |
44.775 |
1.00 |
17.12 |
A |
ATOM |
6536 |
CA |
LYS |
A |
198 |
8.948 |
−2.813 |
44.620 |
1.00 |
17.28 |
A |
ATOM |
6537 |
CB |
LYS |
A |
198 |
9.647 |
−4.168 |
44.727 |
1.00 |
17.40 |
A |
ATOM |
6538 |
CG |
LYS |
A |
198 |
11.159 |
−4.088 |
44.582 |
1.00 |
17.55 |
A |
ATOM |
6539 |
CD |
LYS |
A |
198 |
11.792 |
−5.459 |
44.688 |
1.00 |
17.80 |
A |
ATOM |
6540 |
CE |
LYS |
A |
198 |
13.304 |
−5.355 |
44.747 |
1.00 |
17.96 |
A |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
13.944 |
−6.692 |
44.918 |
1.00 |
19.01 |
A |
ATOM |
6542 |
C |
LYS |
A |
198 |
9.292 |
−2.172 |
43.280 |
1.00 |
17.06 |
A |
ATOM |
6543 |
O |
LYS |
A |
198 |
9.996 |
−1.163 |
43.225 |
1.00 |
16.95 |
A |
ATOM |
6544 |
N |
LEU |
A |
199 |
8.783 |
−2.762 |
42.205 |
1.00 |
17.25 |
A |
ATOM |
6545 |
CA |
LEU |
A |
199 |
9.049 |
−2.271 |
40.860 |
1.00 |
17.51 |
A |
ATOM |
6546 |
CB |
LEU |
A |
199 |
9.557 |
−3.420 |
39.987 |
1.00 |
18.10 |
A |
ATOM |
6547 |
CG |
LEU |
A |
199 |
10.722 |
−4.239 |
40.550 |
1.00 |
18.31 |
A |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
11.046 |
−5.365 |
39.591 |
1.00 |
18.98 |
A |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
11.941 |
−3.350 |
40.768 |
1.00 |
18.60 |
A |
ATOM |
6550 |
C |
LEU |
A |
199 |
7.804 |
−1.655 |
40.228 |
1.00 |
17.54 |
A |
ATOM |
6551 |
O |
LEU |
A |
199 |
6.789 |
−1.503 |
40.943 |
1.00 |
17.46 |
A |
ATOM |
6552 |
OXT |
LEU |
A |
199 |
7.864 |
−1.331 |
39.025 |
1.00 |
17.38 |
A |
ATOM |
6613 |
N1 |
GSH |
H |
200 |
8.267 |
−2.783 |
25.084 |
1.00 |
18.14 |
H |
ATOM |
6614 |
CA1 |
GSH |
H |
200 |
6.892 |
−3.012 |
25.512 |
1.00 |
18.05 |
H |
ATOM |
6615 |
C1 |
GSH |
H |
200 |
6.253 |
−1.716 |
26.049 |
1.00 |
17.74 |
H |
ATOM |
6616 |
O11 |
GSH |
H |
200 |
6.974 |
−0.743 |
26.300 |
1.00 |
17.76 |
H |
ATOM |
6617 |
O12 |
GSH |
H |
200 |
4.957 |
−1.770 |
26.305 |
1.00 |
17.69 |
H |
ATOM |
6618 |
CB1 |
GSH |
H |
200 |
6.915 |
−4.033 |
26.658 |
1.00 |
18.51 |
H |
ATOM |
6619 |
CG1 |
GSH |
H |
200 |
6.911 |
−5.492 |
26.184 |
1.00 |
19.29 |
H |
ATOM |
6620 |
CD1 |
GSH |
H |
200 |
7.126 |
−6.355 |
27.445 |
1.00 |
18.72 |
H |
ATOM |
6621 |
OE1 |
GSH |
H |
200 |
8.184 |
−6.947 |
27.593 |
1.00 |
19.64 |
H |
ATOM |
6622 |
N2 |
GSH |
H |
200 |
6.110 |
−6.407 |
28.322 |
1.00 |
18.69 |
H |
ATOM |
6623 |
CA2 |
GSH |
H |
200 |
6.216 |
−7.299 |
29.489 |
1.00 |
18.57 |
H |
ATOM |
6624 |
C2 |
GSH |
H |
200 |
5.273 |
−8.489 |
29.291 |
1.00 |
19.14 |
H |
ATOM |
6625 |
O2 |
GSH |
H |
200 |
4.151 |
−8.358 |
28.784 |
1.00 |
19.07 |
H |
ATOM |
6626 |
CB2 |
GSH |
H |
200 |
5.800 |
−6.596 |
30.799 |
1.00 |
18.29 |
H |
ATOM |
6627 |
SG2 |
GSH |
H |
200 |
7.094 |
−5.503 |
31.467 |
1.00 |
17.57 |
H |
ATOM |
6628 |
N3 |
GSH |
H |
200 |
5.713 |
−9.677 |
29.767 |
1.00 |
19.66 |
H |
ATOM |
6629 |
CA3 |
GSH |
H |
200 |
4.866 |
−10.887 |
29.805 |
1.00 |
20.05 |
H |
ATOM |
6630 |
C3 |
GSH |
H |
200 |
5.256 |
−11.824 |
28.677 |
1.00 |
20.59 |
H |
ATOM |
6631 |
O31 |
GSH |
H |
200 |
4.643 |
−12.911 |
28.623 |
1.00 |
20.61 |
H |
ATOM |
6632 |
O32 |
GSH |
H |
200 |
6.164 |
−11.461 |
27.881 |
1.00 |
20.69 |
H |
ATOM |
6633 |
CA + 2 |
CA2 |
M |
900 |
12.319 |
1.399 |
22.690 |
1.00 |
23.39 |
M |
ATOM |
6700 |
OH2 |
WAT |
S |
68 |
14.121 |
2.911 |
22.047 |
1.00 |
14.43 |
S |
ATOM |
6701 |
OH2 |
WAT |
S |
69 |
10.382 |
0.015 |
22.374 |
1.00 |
17.83 |
S |
ATOM |
6702 |
OH2 |
WAT |
S |
70 |
6.835 |
1.587 |
23.510 |
1.00 |
10.00 |
S |
ATOM |
6703 |
OH2 |
WAT |
S |
71 |
9.084 |
0.596 |
24.637 |
1.00 |
20.95 |
S |
ATOM |
6704 |
OH2 |
WAT |
S |
72 |
7.464 |
2.364 |
29.866 |
1.00 |
18.58 |
S |
ATOM |
6705 |
OH2 |
WAT |
S |
73 |
6.627 |
3.292 |
32.747 |
1.00 |
10.51 |
S |
ATOM |
6706 |
OH2 |
WAT |
S |
74 |
10.027 |
−0.425 |
37.514 |
1.00 |
16.92 |
S |
ATOM |
6707 |
OH2 |
WAT |
S |
75 |
8.932 |
1.748 |
36.205 |
1.00 |
14.34 |
S |
ATOM |
6708 |
OH2 |
WAT |
S |
76 |
9.214 |
3.513 |
38.532 |
1.00 |
18.39 |
S |
ATOM |
6736 |
OH2 |
WAT |
S |
106 |
8.886 |
−7.534 |
20.205 |
1.00 |
13.51 |
S |
ATOM |
6737 |
OH2 |
WAT |
S |
107 |
3.110 |
−4.937 |
22.720 |
1.00 |
12.05 |
S |
ATOM |
6738 |
OH2 |
WAT |
S |
108 |
0.868 |
−6.588 |
23.134 |
1.00 |
10.94 |
S |
ATOM |
6739 |
OH2 |
WAT |
S |
109 |
5.765 |
−8.770 |
20.668 |
1.00 |
22.48 |
S |
ATOM |
6740 |
OH2 |
WAT |
S |
110 |
7.826 |
−6.141 |
22.398 |
1.00 |
11.14 |
S |
ATOM |
6741 |
OH2 |
WAT |
S |
111 |
5.382 |
−6.173 |
21.467 |
1.00 |
10.04 |
S |
ATOM |
6742 |
OH2 |
WAT |
S |
112 |
13.216 |
−1.032 |
21.636 |
1.00 |
18.10 |
S |
ATOM |
6744 |
OH2 |
WAT |
S |
114 |
17.856 |
−1.808 |
25.058 |
1.00 |
20.41 |
S |
ATOM |
6760 |
OH2 |
WAT |
S |
130 |
3.197 |
−14.232 |
20.833 |
1.00 |
51.90 |
S |
ATOM |
6991 |
OH2 |
WAT |
S |
374 |
1.473 |
2.207 |
40.356 |
1.00 |
10.67 |
S |
ATOM |
6992 |
OH2 |
WAT |
S |
375 |
4.951 |
1.805 |
44.037 |
1.00 |
15.41 |
S |
ATOM |
7014 |
OH2 |
WAT |
S |
399 |
−1.260 |
−6.795 |
21.531 |
1.00 |
15.82 |
S |
ATOM |
7015 |
OH2 |
WAT |
S |
400 |
−2.774 |
−4.748 |
20.376 |
1.00 |
27.99 |
S |
ATOM |
7018 |
OH2 |
WAT |
S |
403 |
2.577 |
0.177 |
41.980 |
1.00 |
13.62 |
S |
ATOM |
7019 |
OH2 |
WAT |
S |
404 |
0.564 |
−8.538 |
39.036 |
1.00 |
23.05 |
S |
ATOM |
7020 |
OH2 |
WAT |
S |
405 |
8.238 |
−9.999 |
31.265 |
1.00 |
29.66 |
S |
ATOM |
7040 |
OH2 |
WAT |
S |
426 |
11.203 |
0.001 |
32.951 |
1.00 |
36.44 |
S |
ATOM |
7041 |
OH2 |
WAT |
S |
428 |
15.066 |
−17.180 |
32.416 |
1.00 |
31.37 |
S |
ATOM |
7042 |
OH2 |
WAT |
S |
429 |
10.965 |
−7.436 |
30.782 |
1.00 |
46.48 |
S |
ATOM |
7053 |
OH2 |
WAT |
S |
443 |
−2.454 |
−1.326 |
35.257 |
1.00 |
9.90 |
S |
ATOM |
7075 |
OH2 |
WAT |
S |
476 |
9.258 |
−15.961 |
22.392 |
1.00 |
35.74 |
S |
ATOM |
7079 |
OH2 |
WAT |
S |
484 |
18.667 |
−6.199 |
25.509 |
1.00 |
51.86 |
S |
ATOM |
7181 |
OH2 |
WAT |
S |
609 |
14.259 |
0.633 |
24.144 |
1.00 |
13.45 |
S |
ATOM |
7185 |
OH2 |
WAT |
S |
616 |
6.184 |
−5.556 |
45.296 |
1.00 |
23.90 |
S |
ATOM |
7186 |
OH2 |
WAT |
S |
617 |
8.234 |
−7.048 |
46.247 |
1.00 |
26.45 |
S |
ATOM |
7201 |
OH2 |
WAT |
S |
637 |
8.943 |
−7.562 |
24.594 |
1.00 |
21.20 |
S |
ATOM |
7202 |
OH2 |
WAT |
S |
638 |
10.718 |
−9.017 |
21.394 |
1.00 |
20.69 |
S |
ATOM |
7203 |
OH2 |
WAT |
S |
639 |
6.772 |
−12.758 |
20.621 |
1.00 |
31.01 |
S |
ATOM |
7204 |
OH2 |
WAT |
S |
640 |
4.298 |
−12.631 |
22.679 |
1.00 |
44.61 |
S |
ATOM |
7205 |
OH2 |
WAT |
S |
642 |
11.438 |
−5.078 |
25.419 |
1.00 |
41.38 |
S |
ATOM |
7215 |
OH2 |
WAT |
S |
657 |
2.956 |
−3.352 |
25.272 |
1.00 |
13.15 |
S |
ATOM |
7232 |
OH2 |
WAT |
S |
690 |
14.369 |
−9.780 |
30.964 |
1.00 |
44.36 |
S |
ATOM |
7233 |
OH2 |
WAT |
S |
692 |
18.178 |
−7.756 |
40.325 |
1.00 |
19.70 |
S |
ATOM |
7235 |
OH2 |
WAT |
S |
696 |
7.112 |
−5.132 |
42.047 |
1.00 |
21.00 |
S |
ATOM |
7237 |
OH2 |
WAT |
S |
698 |
8.595 |
−7.307 |
41.589 |
1.00 |
30.04 |
S |
ATOM |
7238 |
OH2 |
WAT |
S |
699 |
13.321 |
−7.321 |
42.140 |
1.00 |
27.80 |
S |
ATOM |
7240 |
OH2 |
WAT |
S |
702 |
−6.903 |
−2.845 |
28.812 |
1.00 |
20.55 |
S |
ATOM |
7245 |
OH2 |
WAT |
S |
707 |
10.773 |
3.112 |
22.561 |
1.00 |
18.01 |
S |
ATOM |
7249 |
OH2 |
WAT |
S |
713 |
14.133 |
−12.827 |
37.720 |
1.00 |
37.72 |
S |
ATOM |
7257 |
OH2 |
WAT |
S |
729 |
9.660 |
−4.357 |
34.020 |
1.00 |
40.28 |
S |
ATOM |
7260 |
OH2 |
WAT |
S |
735 |
10.625 |
−2.519 |
35.392 |
1.00 |
46.30 |
S |
ATOM |
7291 |
OH2 |
WAT |
S |
783 |
8.130 |
−9.654 |
27.367 |
1.00 |
21.27 |
S |
ATOM |
7318 |
OH2 |
WAT |
S |
831 |
5.332 |
−11.112 |
19.145 |
1.00 |
24.71 |
S |
ATOM |
7333 |
OH2 |
WAT |
S |
860 |
15.591 |
−0.692 |
20.940 |
1.00 |
38.98 |
S |
ATOM |
7334 |
OH2 |
WAT |
S |
861 |
15.057 |
−5.068 |
23.204 |
1.00 |
45.10 |
S |
ATOM |
7336 |
OH2 |
WAT |
S |
864 |
17.064 |
−8.176 |
25.940 |
1.00 |
41.30 |
S |
ATOM |
7368 |
OH2 |
WAT |
S |
916 |
4.717 |
−6.156 |
42.468 |
1.00 |
32.94 |
S |
ATOM |
7371 |
OH2 |
WAT |
S |
920 |
19.610 |
−12.642 |
30.175 |
1.00 |
31.99 |
S |
ATOM |
7386 |
OH2 |
WAT |
S |
948 |
12.372 |
1.268 |
20.616 |
1.00 |
22.94 |
S |
ATOM |
7399 |
OH2 |
WAT |
S |
968 |
7.575 |
−13.636 |
26.467 |
1.00 |
40.77 |
S |
ATOM |
7400 |
OH2 |
WAT |
S |
969 |
13.034 |
−12.270 |
21.957 |
1.00 |
29.54 |
S |
ATOM |
7415 |
OH2 |
WAT |
T |
1 |
13.128 |
−8.340 |
38.325 |
1.00 |
43.19 |
T |
ATOM |
7416 |
OH2 |
WAT |
T |
2 |
9.607 |
−8.619 |
44.219 |
1.00 |
27.56 |
T |
ATOM |
7503 |
OH2 |
WAT |
T |
98 |
3.711 |
−6.417 |
45.304 |
1.00 |
30.04 |
T |
ATOM |
7507 |
OH2 |
WAT |
T |
102 |
−3.417 |
−7.320 |
40.850 |
1.00 |
33.06 |
T |
ATOM |
7602 |
OH2 |
WAT |
T |
203 |
14.604 |
−1.609 |
23.500 |
1.00 |
40.59 |
T |
ATOM |
7612 |
OH2 |
WAT |
T |
215 |
4.850 |
−13.737 |
39.498 |
1.00 |
42.03 |
T |
ATOM |
7613 |
OH2 |
WAT |
T |
216 |
5.093 |
−14.055 |
32.065 |
1.00 |
39.20 |
T |
ATOM |
7616 |
OH2 |
WAT |
T |
219 |
11.030 |
−2.293 |
26.081 |
1.00 |
37.10 |
T |
ATOM |
7619 |
OH2 |
WAT |
T |
225 |
7.449 |
−9.230 |
35.544 |
1.00 |
45.80 |
T |
ATOM |
7620 |
OH2 |
WAT |
T |
226 |
10.479 |
−7.325 |
36.925 |
1.00 |
40.53 |
T |
ATOM |
7632 |
OH2 |
WAT |
T |
263 |
16.989 |
−4.269 |
24.857 |
1.00 |
37.79 |
T |
ATOM |
7633 |
OH2 |
WAT |
T |
264 |
16.818 |
−0.589 |
23.119 |
1.00 |
33.03 |
T |
ATOM |
7634 |
OH2 |
WAT |
T |
265 |
12.877 |
−2.966 |
24.468 |
1.00 |
44.25 |
T |
ATOM |
7637 |
OH2 |
WAT |
T |
268 |
15.829 |
−10.496 |
25.604 |
1.00 |
39.46 |
T |
ATOM |
7638 |
OH2 |
WAT |
T |
269 |
12.401 |
−18.158 |
31.715 |
1.00 |
28.89 |
T |
ATOM |
7669 |
OH2 |
WAT |
T |
341 |
6.084 |
−13.571 |
24.399 |
1.00 |
44.58 |
T |
ATOM |
7670 |
OH2 |
WAT |
T |
342 |
12.132 |
−14.509 |
26.051 |
1.00 |
36.17 |
T |
ATOM |
7723 |
OH2 |
WAT |
T |
439 |
10.138 |
−4.873 |
30.054 |
1.00 |
32.06 |
T |
|
-
TABLE 2 |
|
Three-dimensional coordinate of the complex of human |
hematopoietic PGDS (SEQ ID NO: 1) with magnesium and |
glutathione |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
24.798 |
32.294 |
34.444 |
1.00 |
27.67 |
A |
ATOM |
4967 |
CA |
TYR |
A |
8 |
23.375 |
32.556 |
34.622 |
1.00 |
27.57 |
A |
ATOM |
4968 |
CB |
TYR |
A |
8 |
22.609 |
31.228 |
34.679 |
1.00 |
26.91 |
A |
ATOM |
4969 |
CG |
TYR |
A |
8 |
21.105 |
31.363 |
34.647 |
1.00 |
26.02 |
A |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
20.462 |
31.990 |
33.580 |
1.00 |
25.80 |
A |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
19.075 |
32.097 |
33.536 |
1.00 |
25.34 |
A |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
20.319 |
30.843 |
35.674 |
1.00 |
25.72 |
A |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
18.935 |
30.943 |
35.642 |
1.00 |
25.34 |
A |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
18.315 |
31.571 |
34.570 |
1.00 |
25.28 |
A |
ATOM |
4975 |
OH |
TYR |
A |
8 |
16.945 |
31.672 |
34.539 |
1.00 |
24.76 |
A |
ATOM |
4976 |
C |
TYR |
A |
8 |
23.147 |
33.349 |
35.907 |
1.00 |
28.01 |
A |
ATOM |
4977 |
O |
TYR |
A |
8 |
24.086 |
33.591 |
36.667 |
1.00 |
28.14 |
A |
ATOM |
4978 |
N |
PHE |
A |
9 |
21.906 |
33.767 |
36.140 |
1.00 |
28.37 |
A |
ATOM |
4979 |
CA |
PHE |
A |
9 |
21.572 |
34.518 |
37.349 |
1.00 |
28.74 |
A |
ATOM |
4980 |
CB |
PHE |
A |
9 |
20.161 |
35.097 |
37.247 |
1.00 |
28.79 |
A |
ATOM |
4981 |
CG |
PHE |
A |
9 |
20.034 |
36.202 |
36.236 |
1.00 |
29.08 |
A |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
19.031 |
36.169 |
35.273 |
1.00 |
29.16 |
A |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
20.917 |
37.276 |
36.250 |
1.00 |
29.06 |
A |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
18.905 |
37.192 |
34.335 |
1.00 |
29.23 |
A |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
20.800 |
38.303 |
35.319 |
1.00 |
29.41 |
A |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
19.792 |
38.260 |
34.357 |
1.00 |
29.36 |
A |
ATOM |
4987 |
C |
PHE |
A |
9 |
21.656 |
33.583 |
38.547 |
1.00 |
28.97 |
A |
ATOM |
4988 |
O |
PHE |
A |
9 |
21.790 |
32.369 |
38.385 |
1.00 |
29.03 |
A |
ATOM |
4989 |
N |
ASN |
A |
10 |
21.590 |
34.145 |
39.749 |
1.00 |
29.09 |
A |
ATOM |
4990 |
CA |
ASN |
A |
10 |
21.650 |
33.326 |
40.952 |
1.00 |
29.24 |
A |
ATOM |
4991 |
CB |
ASN |
A |
10 |
22.167 |
34.143 |
42.140 |
1.00 |
29.62 |
A |
ATOM |
4992 |
CG |
ASN |
A |
10 |
22.162 |
33.350 |
43.434 |
1.00 |
30.03 |
A |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
22.370 |
32.134 |
43.432 |
1.00 |
30.13 |
A |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
21.936 |
34.037 |
44.548 |
1.00 |
30.35 |
A |
ATOM |
4995 |
C |
ASN |
A |
10 |
20.276 |
32.753 |
41.266 |
1.00 |
29.04 |
A |
ATOM |
4996 |
O |
ASN |
A |
10 |
19.516 |
33.318 |
42.049 |
1.00 |
29.10 |
A |
ATOM |
4997 |
N |
MET |
A |
11 |
19.962 |
31.627 |
40.631 |
1.00 |
28.94 |
A |
ATOM |
4998 |
CA |
MET |
A |
11 |
18.685 |
30.942 |
40.824 |
1.00 |
28.66 |
A |
ATOM |
4999 |
CB |
MET |
A |
11 |
17.514 |
31.854 |
40.429 |
1.00 |
29.86 |
A |
ATOM |
5000 |
CG |
MET |
A |
11 |
17.483 |
32.272 |
38.969 |
1.00 |
31.35 |
A |
ATOM |
5001 |
SD |
MET |
A |
11 |
16.034 |
33.301 |
38.540 |
1.00 |
33.72 |
A |
ATOM |
5002 |
CE |
MET |
A |
11 |
16.695 |
34.947 |
38.769 |
1.00 |
33.16 |
A |
ATOM |
5003 |
C |
MET |
A |
11 |
18.663 |
29.681 |
39.972 |
1.00 |
27.66 |
A |
ATOM |
5004 |
O |
MET |
A |
11 |
19.541 |
29.479 |
39.139 |
1.00 |
27.28 |
A |
ATOM |
5005 |
N |
ARG |
A |
12 |
17.674 |
28.822 |
40.193 |
1.00 |
26.89 |
A |
ATOM |
5006 |
CA |
ARG |
A |
12 |
17.568 |
27.598 |
39.410 |
1.00 |
25.99 |
A |
ATOM |
5007 |
CB |
ARG |
A |
12 |
16.467 |
26.700 |
39.978 |
1.00 |
26.19 |
A |
ATOM |
5008 |
CG |
ARG |
A |
12 |
16.714 |
26.250 |
41.418 |
1.00 |
26.84 |
A |
ATOM |
5009 |
CD |
ARG |
A |
12 |
15.638 |
25.265 |
41.874 |
1.00 |
26.77 |
A |
ATOM |
5010 |
NE |
ARG |
A |
12 |
14.298 |
25.835 |
41.763 |
1.00 |
27.30 |
A |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
13.794 |
26.737 |
42.598 |
1.00 |
27.44 |
A |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
14.518 |
27.177 |
43.621 |
1.00 |
27.56 |
A |
ATOM |
5013 |
NH2 |
ARG |
A |
12 |
12.570 |
27.209 |
42.404 |
1.00 |
27.81 |
A |
ATOM |
5014 |
C |
ARG |
A |
12 |
17.236 |
28.011 |
37.977 |
1.00 |
25.35 |
A |
ATOM |
5015 |
O |
ARG |
A |
12 |
18.030 |
27.800 |
37.065 |
1.00 |
25.01 |
A |
ATOM |
5016 |
N |
GLY |
A |
13 |
16.062 |
28.607 |
37.797 |
1.00 |
24.64 |
A |
ATOM |
5017 |
CA |
GLY |
A |
13 |
15.645 |
29.067 |
36.485 |
1.00 |
23.90 |
A |
ATOM |
5018 |
C |
GLY |
A |
13 |
15.900 |
28.126 |
35.326 |
1.00 |
23.52 |
A |
ATOM |
5019 |
O |
GLY |
A |
13 |
15.728 |
26.911 |
35.437 |
1.00 |
23.18 |
A |
ATOM |
5020 |
N |
ARG |
A |
14 |
16.333 |
28.696 |
34.205 |
1.00 |
22.72 |
A |
ATOM |
5021 |
CA |
ARG |
A |
14 |
16.592 |
27.920 |
32.998 |
1.00 |
22.38 |
A |
ATOM |
5022 |
CB |
ARG |
A |
14 |
16.417 |
28.824 |
31.781 |
1.00 |
22.47 |
A |
ATOM |
5023 |
CG |
ARG |
A |
14 |
15.004 |
29.342 |
31.659 |
1.00 |
22.96 |
A |
ATOM |
5024 |
CD |
ARG |
A |
14 |
14.807 |
30.214 |
30.443 |
1.00 |
23.81 |
A |
ATOM |
5025 |
NE |
ARG |
A |
14 |
13.386 |
30.325 |
30.135 |
1.00 |
24.80 |
A |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
12.680 |
29.375 |
29.529 |
1.00 |
25.43 |
A |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
13.267 |
28.245 |
29.154 |
1.00 |
25.67 |
A |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
11.381 |
29.547 |
29.319 |
1.00 |
26.33 |
A |
ATOM |
5029 |
C |
ARG |
A |
14 |
17.946 |
27.221 |
32.940 |
1.00 |
21.87 |
A |
ATOM |
5030 |
O |
ARG |
A |
14 |
18.206 |
26.450 |
32.021 |
1.00 |
21.54 |
A |
ATOM |
5031 |
N |
ALA |
A |
15 |
18.811 |
27.474 |
33.914 |
1.00 |
21.26 |
A |
ATOM |
5032 |
CA |
ALA |
A |
15 |
20.109 |
26.826 |
33.910 |
1.00 |
20.98 |
A |
ATOM |
5033 |
CB |
ALA |
A |
15 |
21.180 |
27.785 |
34.416 |
1.00 |
21.37 |
A |
ATOM |
5034 |
C |
ALA |
A |
15 |
20.106 |
25.567 |
34.761 |
1.00 |
20.63 |
A |
ATOM |
5035 |
O |
ALA |
A |
15 |
21.055 |
24.785 |
34.724 |
1.00 |
20.56 |
A |
ATOM |
5036 |
N |
GLU |
A |
16 |
19.040 |
25.361 |
35.524 |
1.00 |
20.39 |
A |
ATOM |
5037 |
CA |
GLU |
A |
16 |
18.985 |
24.198 |
36.401 |
1.00 |
20.26 |
A |
ATOM |
5038 |
CB |
GLU |
A |
16 |
17.739 |
24.260 |
37.284 |
1.00 |
20.92 |
A |
ATOM |
5039 |
CG |
GLU |
A |
16 |
17.825 |
23.399 |
38.537 |
1.00 |
21.66 |
A |
ATOM |
5040 |
CD |
GLU |
A |
16 |
19.007 |
23.757 |
39.425 |
1.00 |
22.12 |
A |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
19.405 |
24.943 |
39.461 |
1.00 |
22.58 |
A |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
19.537 |
22.850 |
40.097 |
1.00 |
22.29 |
A |
ATOM |
5043 |
C |
GLU |
A |
16 |
19.030 |
22.871 |
35.656 |
1.00 |
19.57 |
A |
ATOM |
5044 |
O |
GLU |
A |
16 |
19.665 |
21.924 |
36.121 |
1.00 |
19.37 |
A |
ATOM |
5045 |
N |
ILE |
A |
17 |
18.371 |
22.791 |
34.502 |
1.00 |
19.00 |
A |
ATOM |
5046 |
CA |
ILE |
A |
17 |
18.374 |
21.539 |
33.749 |
1.00 |
18.27 |
A |
ATOM |
5047 |
CB |
ILE |
A |
17 |
17.459 |
21.621 |
32.483 |
1.00 |
18.13 |
A |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
17.933 |
22.726 |
31.549 |
1.00 |
17.76 |
A |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
17.431 |
20.262 |
31.771 |
1.00 |
17.74 |
A |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
16.815 |
19.144 |
32.603 |
1.00 |
17.40 |
A |
ATOM |
5051 |
C |
ILE |
A |
17 |
19.795 |
21.141 |
33.354 |
1.00 |
18.40 |
A |
ATOM |
5052 |
O |
ILE |
A |
17 |
20.135 |
19.956 |
33.327 |
1.00 |
18.19 |
A |
ATOM |
5242 |
N |
TRP |
A |
39 |
24.784 |
42.507 |
34.947 |
1.00 |
44.42 |
A |
ATOM |
5243 |
CA |
TRP |
A |
39 |
24.103 |
41.994 |
33.763 |
1.00 |
44.13 |
A |
ATOM |
5244 |
CB |
TRP |
A |
39 |
22.630 |
41.726 |
34.082 |
1.00 |
44.08 |
A |
ATOM |
5245 |
CG |
TRP |
A |
39 |
21.834 |
41.243 |
32.905 |
1.00 |
44.04 |
A |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
22.234 |
40.267 |
31.932 |
1.00 |
43.94 |
A |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
21.162 |
40.122 |
31.023 |
1.00 |
43.97 |
A |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
23.391 |
39.500 |
31.741 |
1.00 |
43.89 |
A |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
20.576 |
41.637 |
32.555 |
1.00 |
44.04 |
A |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
20.166 |
40.970 |
31.427 |
1.00 |
44.07 |
A |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
21.212 |
39.242 |
29.936 |
1.00 |
43.96 |
A |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
23.442 |
38.623 |
30.657 |
1.00 |
43.92 |
A |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
22.356 |
38.503 |
29.770 |
1.00 |
43.91 |
A |
ATOM |
5254 |
C |
TRP |
A |
39 |
24.202 |
42.927 |
32.553 |
1.00 |
44.00 |
A |
ATOM |
5255 |
O |
TRP |
A |
39 |
24.614 |
42.507 |
31.472 |
1.00 |
43.93 |
A |
ATOM |
5256 |
N |
PRO |
A |
40 |
23.828 |
44.207 |
32.720 |
1.00 |
43.84 |
A |
ATOM |
5257 |
CD |
PRO |
A |
40 |
23.435 |
44.869 |
33.978 |
1.00 |
43.81 |
A |
ATOM |
5258 |
CA |
PRO |
A |
40 |
23.881 |
45.178 |
31.622 |
1.00 |
43.62 |
A |
ATOM |
5259 |
CB |
PRO |
A |
40 |
23.764 |
46.516 |
32.347 |
1.00 |
43.72 |
A |
ATOM |
5260 |
CG |
PRO |
A |
40 |
22.860 |
46.182 |
33.488 |
1.00 |
43.84 |
A |
ATOM |
5261 |
C |
PRO |
A |
40 |
25.141 |
45.091 |
30.760 |
1.00 |
43.33 |
A |
ATOM |
5262 |
O |
PRO |
A |
40 |
25.059 |
45.100 |
29.533 |
1.00 |
43.30 |
A |
ATOM |
5263 |
N |
GLU |
A |
41 |
26.301 |
45.003 |
31.402 |
1.00 |
42.98 |
A |
ATOM |
5264 |
CA |
GLU |
A |
41 |
27.569 |
44.921 |
30.681 |
1.00 |
42.61 |
A |
ATOM |
5265 |
CB |
GLU |
A |
41 |
28.741 |
45.127 |
31.647 |
1.00 |
43.08 |
A |
ATOM |
5266 |
CG |
GLU |
A |
41 |
30.113 |
44.941 |
31.007 |
1.00 |
43.66 |
A |
ATOM |
5267 |
CD |
GLU |
A |
41 |
30.405 |
45.969 |
29.924 |
1.00 |
44.03 |
A |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
31.411 |
45.800 |
29.198 |
1.00 |
44.15 |
A |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
29.633 |
46.946 |
29.804 |
1.00 |
44.31 |
A |
ATOM |
5270 |
C |
GLU |
A |
41 |
27.742 |
43.593 |
29.953 |
1.00 |
42.03 |
A |
ATOM |
5271 |
O |
GLU |
A |
41 |
28.054 |
43.560 |
28.761 |
1.00 |
42.06 |
A |
ATOM |
5272 |
N |
ILE |
A |
42 |
27.541 |
42.501 |
30.681 |
1.00 |
41.22 |
A |
ATOM |
5273 |
CA |
ILE |
A |
42 |
27.682 |
41.162 |
30.124 |
1.00 |
40.49 |
A |
ATOM |
5274 |
CB |
ILE |
A |
42 |
27.419 |
40.098 |
31.209 |
1.00 |
40.55 |
A |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
27.600 |
38.703 |
30.631 |
1.00 |
40.56 |
A |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
28.376 |
40.319 |
32.382 |
1.00 |
40.56 |
A |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
28.048 |
39.497 |
33.608 |
1.00 |
40.65 |
A |
ATOM |
5278 |
C |
ILE |
A |
42 |
26.722 |
40.933 |
28.959 |
1.00 |
39.90 |
A |
ATOM |
5279 |
O |
ILE |
A |
42 |
27.076 |
40.294 |
27.971 |
1.00 |
39.65 |
A |
ATOM |
5280 |
N |
LYS |
A |
43 |
25.511 |
41.468 |
29.083 |
1.00 |
39.26 |
A |
ATOM |
5281 |
CA |
LYS |
A |
43 |
24.485 |
41.321 |
28.055 |
1.00 |
38.70 |
A |
ATOM |
5282 |
CB |
LYS |
A |
43 |
23.218 |
42.066 |
28.482 |
1.00 |
38.64 |
A |
ATOM |
5283 |
CG |
LYS |
A |
43 |
22.040 |
41.922 |
27.529 |
1.00 |
38.63 |
A |
ATOM |
5284 |
CD |
LYS |
A |
43 |
20.862 |
42.769 |
27.995 |
1.00 |
38.51 |
A |
ATOM |
5285 |
CE |
LYS |
A |
43 |
19.702 |
42.725 |
27.010 |
1.00 |
38.59 |
A |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
19.088 |
41.374 |
26.908 |
1.00 |
38.47 |
A |
ATOM |
5287 |
C |
LYS |
A |
43 |
24.941 |
41.821 |
26.682 |
1.00 |
38.32 |
A |
ATOM |
5288 |
O |
LYS |
A |
43 |
24.657 |
41.195 |
25.656 |
1.00 |
38.07 |
A |
ATOM |
5328 |
N |
GLY |
A |
49 |
22.169 |
38.393 |
23.696 |
1.00 |
27.72 |
A |
ATOM |
5329 |
CA |
GLY |
A |
49 |
21.892 |
39.053 |
24.959 |
1.00 |
26.80 |
A |
ATOM |
5330 |
C |
GLY |
A |
49 |
20.981 |
38.310 |
25.914 |
1.00 |
26.17 |
A |
ATOM |
5331 |
O |
GLY |
A |
49 |
20.163 |
38.922 |
26.607 |
1.00 |
25.97 |
A |
ATOM |
5332 |
N |
LYS |
A |
50 |
21.123 |
36.991 |
25.961 |
1.00 |
25.32 |
A |
ATOM |
5333 |
CA |
LYS |
A |
50 |
20.301 |
36.179 |
26.845 |
1.00 |
24.71 |
A |
ATOM |
5334 |
CB |
LYS |
A |
50 |
19.164 |
35.522 |
26.052 |
1.00 |
25.17 |
A |
ATOM |
5335 |
CG |
LYS |
A |
50 |
18.256 |
36.493 |
25.314 |
1.00 |
26.18 |
A |
ATOM |
5336 |
CD |
LYS |
A |
50 |
17.362 |
37.263 |
26.267 |
1.00 |
26.58 |
A |
ATOM |
5337 |
CE |
LYS |
A |
50 |
16.619 |
38.387 |
25.552 |
1.00 |
27.00 |
A |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
15.862 |
37.901 |
24.367 |
1.00 |
27.09 |
A |
ATOM |
5339 |
C |
LYS |
A |
50 |
21.114 |
35.095 |
27.527 |
1.00 |
24.20 |
A |
ATOM |
5340 |
O |
LYS |
A |
50 |
22.118 |
34.625 |
26.994 |
1.00 |
23.51 |
A |
ATOM |
5341 |
N |
ILE |
A |
51 |
20.672 |
34.705 |
28.716 |
1.00 |
23.62 |
A |
ATOM |
5342 |
CA |
ILE |
A |
51 |
21.329 |
33.642 |
29.462 |
1.00 |
23.69 |
A |
ATOM |
5343 |
CB |
ILE |
A |
51 |
22.023 |
34.170 |
30.743 |
1.00 |
23.40 |
A |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
23.331 |
34.852 |
30.373 |
1.00 |
23.31 |
A |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
21.086 |
35.106 |
31.510 |
1.00 |
23.39 |
A |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
21.696 |
35.661 |
32.779 |
1.00 |
23.78 |
A |
ATOM |
5347 |
C |
ILE |
A |
51 |
20.270 |
32.609 |
29.822 |
1.00 |
23.77 |
A |
ATOM |
5348 |
O |
ILE |
A |
51 |
19.074 |
32.888 |
29.754 |
1.00 |
23.72 |
A |
ATOM |
5349 |
N |
PRO |
A |
52 |
20.697 |
31.411 |
30.239 |
1.00 |
24.02 |
A |
ATOM |
5350 |
CD |
PRO |
A |
52 |
19.778 |
30.321 |
30.607 |
1.00 |
24.22 |
A |
ATOM |
5351 |
CA |
PRO |
A |
52 |
22.089 |
30.979 |
30.378 |
1.00 |
24.24 |
A |
ATOM |
5352 |
CB |
PRO |
A |
52 |
21.958 |
29.708 |
31.211 |
1.00 |
24.34 |
A |
ATOM |
5353 |
CG |
PRO |
A |
52 |
20.692 |
29.124 |
30.659 |
1.00 |
24.40 |
A |
ATOM |
5354 |
C |
PRO |
A |
52 |
22.843 |
30.711 |
29.082 |
1.00 |
24.32 |
A |
ATOM |
5355 |
O |
PRO |
A |
52 |
22.258 |
30.608 |
27.999 |
1.00 |
24.21 |
A |
ATOM |
5356 |
N |
ILE |
A |
53 |
24.160 |
30.614 |
29.214 |
1.00 |
24.37 |
A |
ATOM |
5357 |
CA |
ILE |
A |
53 |
25.030 |
30.287 |
28.099 |
1.00 |
24.60 |
A |
ATOM |
5358 |
CB |
ILE |
A |
53 |
25.771 |
31.517 |
27.524 |
1.00 |
24.79 |
A |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
24.772 |
32.471 |
26.876 |
1.00 |
24.74 |
A |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
26.583 |
32.210 |
28.623 |
1.00 |
24.92 |
A |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
27.597 |
33.207 |
28.088 |
1.00 |
25.21 |
A |
ATOM |
5362 |
C |
ILE |
A |
53 |
26.051 |
29.318 |
28.659 |
1.00 |
24.74 |
A |
ATOM |
5363 |
O |
ILE |
A |
53 |
26.312 |
29.312 |
29.864 |
1.00 |
24.56 |
A |
ATOM |
5423 |
N |
HIS |
A |
62 |
24.282 |
28.843 |
23.471 |
1.00 |
20.06 |
A |
ATOM |
5424 |
CA |
HIS |
A |
62 |
23.143 |
29.461 |
24.151 |
1.00 |
19.14 |
A |
ATOM |
5425 |
CB |
HIS |
A |
62 |
22.885 |
30.885 |
23.631 |
1.00 |
19.13 |
A |
ATOM |
5426 |
CG |
HIS |
A |
62 |
22.437 |
30.944 |
22.205 |
1.00 |
19.63 |
A |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
21.300 |
31.421 |
21.646 |
1.00 |
19.62 |
A |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
23.222 |
30.509 |
21.159 |
1.00 |
20.17 |
A |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
22.592 |
30.721 |
20.018 |
1.00 |
19.92 |
A |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
21.423 |
31.275 |
20.285 |
1.00 |
20.10 |
A |
ATOM |
5431 |
C |
HIS |
A |
62 |
21.887 |
28.607 |
24.010 |
1.00 |
18.09 |
A |
ATOM |
5432 |
O |
HIS |
A |
62 |
21.914 |
27.591 |
23.321 |
1.00 |
17.56 |
A |
ATOM |
5433 |
N |
GLN |
A |
63 |
20.804 |
29.046 |
24.659 |
1.00 |
17.49 |
A |
ATOM |
5434 |
CA |
GLN |
A |
63 |
19.512 |
28.342 |
24.693 |
1.00 |
16.80 |
A |
ATOM |
5435 |
CB |
GLN |
A |
63 |
19.042 |
27.971 |
23.285 |
1.00 |
17.09 |
A |
ATOM |
5436 |
CG |
GLN |
A |
63 |
18.397 |
29.137 |
22.515 |
1.00 |
17.33 |
A |
ATOM |
5437 |
CD |
GLN |
A |
63 |
17.113 |
29.658 |
23.165 |
1.00 |
17.51 |
A |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
16.514 |
28.993 |
24.013 |
1.00 |
17.71 |
A |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
16.676 |
30.846 |
22.750 |
1.00 |
18.20 |
A |
ATOM |
5440 |
C |
GLN |
A |
63 |
19.621 |
27.095 |
25.575 |
1.00 |
16.48 |
A |
ATOM |
5441 |
O |
GLN |
A |
63 |
20.248 |
26.098 |
25.202 |
1.00 |
15.97 |
A |
ATOM |
5442 |
N |
SER |
A |
64 |
18.983 |
27.166 |
26.740 |
1.00 |
16.15 |
A |
ATOM |
5443 |
CA |
SER |
A |
64 |
19.038 |
26.099 |
27.733 |
1.00 |
16.55 |
A |
ATOM |
5444 |
CB |
SER |
A |
64 |
18.163 |
26.463 |
28.948 |
1.00 |
16.41 |
A |
ATOM |
5445 |
OG |
SER |
A |
64 |
16.780 |
26.507 |
28.637 |
1.00 |
17.25 |
A |
ATOM |
5446 |
C |
SER |
A |
64 |
18.705 |
24.688 |
27.258 |
1.00 |
16.42 |
A |
ATOM |
5447 |
O |
SER |
A |
64 |
19.395 |
23.736 |
27.625 |
1.00 |
16.29 |
A |
ATOM |
5448 |
N |
LEU |
A |
65 |
17.661 |
24.545 |
26.449 |
1.00 |
16.61 |
A |
ATOM |
5449 |
CA |
LEU |
A |
65 |
17.266 |
23.221 |
25.979 |
1.00 |
16.62 |
A |
ATOM |
5450 |
CB |
LEU |
A |
65 |
15.803 |
23.242 |
25.518 |
1.00 |
17.28 |
A |
ATOM |
5451 |
CG |
LEU |
A |
65 |
14.804 |
23.694 |
26.599 |
1.00 |
17.94 |
A |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
13.381 |
23.514 |
26.100 |
1.00 |
18.29 |
A |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
15.023 |
22.904 |
27.884 |
1.00 |
18.01 |
A |
ATOM |
5454 |
C |
LEU |
A |
65 |
18.183 |
22.699 |
24.874 |
1.00 |
16.53 |
A |
ATOM |
5455 |
O |
LEU |
A |
65 |
18.384 |
21.484 |
24.739 |
1.00 |
16.69 |
A |
ATOM |
5662 |
N |
ASP |
A |
93 |
9.437 |
20.470 |
25.569 |
1.00 |
14.02 |
A |
ATOM |
5663 |
CA |
ASP |
A |
93 |
8.852 |
21.675 |
24.974 |
1.00 |
15.28 |
A |
ATOM |
5664 |
CB |
ASP |
A |
93 |
8.823 |
21.563 |
23.440 |
1.00 |
16.56 |
A |
ATOM |
5665 |
CG |
ASP |
A |
93 |
10.139 |
22.002 |
22.800 |
1.00 |
18.16 |
A |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
10.212 |
22.113 |
21.549 |
1.00 |
19.71 |
A |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
11.116 |
22.243 |
23.549 |
1.00 |
19.34 |
A |
ATOM |
5668 |
C |
ASP |
A |
93 |
7.457 |
22.002 |
25.521 |
1.00 |
15.10 |
A |
ATOM |
5669 |
O |
ASP |
A |
93 |
7.103 |
23.178 |
25.671 |
1.00 |
15.47 |
A |
ATOM |
5670 |
N |
THR |
A |
94 |
6.662 |
20.973 |
25.813 |
1.00 |
14.79 |
A |
ATOM |
5671 |
CA |
THR |
A |
94 |
5.327 |
21.184 |
26.365 |
1.00 |
14.62 |
A |
ATOM |
5672 |
CB |
THR |
A |
94 |
4.568 |
19.838 |
26.465 |
1.00 |
14.82 |
A |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
4.196 |
19.423 |
25.140 |
1.00 |
14.81 |
A |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
3.298 |
19.969 |
27.309 |
1.00 |
15.03 |
A |
ATOM |
5675 |
C |
THR |
A |
94 |
5.475 |
21.860 |
27.736 |
1.00 |
15.22 |
A |
ATOM |
5676 |
O |
THR |
A |
94 |
4.758 |
22.805 |
28.051 |
1.00 |
14.83 |
A |
ATOM |
5677 |
N |
LEU |
A |
95 |
6.424 |
21.390 |
28.533 |
1.00 |
15.45 |
A |
ATOM |
5678 |
CA |
LEU |
A |
95 |
6.664 |
21.978 |
29.846 |
1.00 |
16.14 |
A |
ATOM |
5679 |
CB |
LEU |
A |
95 |
7.663 |
21.130 |
30.630 |
1.00 |
16.28 |
A |
ATOM |
5680 |
CG |
LEU |
A |
95 |
7.107 |
19.798 |
31.120 |
1.00 |
16.61 |
A |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
8.245 |
18.898 |
31.594 |
1.00 |
16.85 |
A |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
6.103 |
20.052 |
32.240 |
1.00 |
17.08 |
A |
ATOM |
5683 |
C |
LEU |
A |
95 |
7.215 |
23.388 |
29.693 |
1.00 |
16.49 |
A |
ATOM |
5684 |
O |
LEU |
A |
95 |
6.745 |
24.327 |
30.344 |
1.00 |
16.45 |
A |
ATOM |
5685 |
N |
ASP |
A |
96 |
8.208 |
23.540 |
28.823 |
1.00 |
16.67 |
A |
ATOM |
5686 |
CA |
ASP |
A |
96 |
8.824 |
24.850 |
28.621 |
1.00 |
17.83 |
A |
ATOM |
5687 |
CB |
ASP |
A |
96 |
10.001 |
24.736 |
27.646 |
1.00 |
18.40 |
A |
ATOM |
5688 |
CG |
ASP |
A |
96 |
11.004 |
25.860 |
27.815 |
1.00 |
19.35 |
A |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
11.519 |
26.027 |
28.946 |
1.00 |
20.31 |
A |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
11.278 |
26.572 |
26.827 |
1.00 |
19.91 |
A |
ATOM |
5691 |
C |
ASP |
A |
96 |
7.817 |
25.883 |
28.119 |
1.00 |
18.10 |
A |
ATOM |
5692 |
O |
ASP |
A |
96 |
7.850 |
27.046 |
28.536 |
1.00 |
17.78 |
A |
ATOM |
5693 |
N |
ASP |
A |
97 |
6.918 |
25.464 |
27.230 |
1.00 |
18.27 |
A |
ATOM |
5694 |
CA |
ASP |
A |
97 |
5.902 |
26.376 |
26.700 |
1.00 |
18.83 |
A |
ATOM |
5695 |
CB |
ASP |
A |
97 |
4.957 |
25.644 |
25.741 |
1.00 |
19.25 |
A |
ATOM |
5696 |
CG |
ASP |
A |
97 |
5.582 |
25.365 |
24.386 |
1.00 |
20.04 |
A |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
4.980 |
24.595 |
23.611 |
1.00 |
20.50 |
A |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
6.660 |
25.914 |
24.085 |
1.00 |
20.61 |
A |
ATOM |
5699 |
C |
ASP |
A |
97 |
5.070 |
26.968 |
27.835 |
1.00 |
18.89 |
A |
ATOM |
5700 |
O |
ASP |
A |
97 |
4.828 |
28.175 |
27.878 |
1.00 |
18.39 |
A |
ATOM |
5701 |
N |
PHE |
A |
98 |
4.630 |
26.107 |
28.750 |
1.00 |
19.13 |
A |
ATOM |
5702 |
CA |
PHE |
A |
98 |
3.814 |
26.547 |
29.875 |
1.00 |
19.65 |
A |
ATOM |
5703 |
CB |
PHE |
A |
98 |
3.311 |
25.342 |
30.686 |
1.00 |
20.03 |
A |
ATOM |
5704 |
CG |
PHE |
A |
98 |
2.426 |
25.718 |
31.854 |
1.00 |
20.47 |
A |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
1.249 |
26.436 |
31.650 |
1.00 |
20.90 |
A |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
2.794 |
25.390 |
33.159 |
1.00 |
20.78 |
A |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
0.451 |
26.827 |
32.732 |
1.00 |
21.07 |
A |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
2.007 |
25.773 |
34.246 |
1.00 |
21.32 |
A |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
0.837 |
26.495 |
34.035 |
1.00 |
21.00 |
A |
ATOM |
5710 |
C |
PHE |
A |
98 |
4.598 |
27.495 |
30.776 |
1.00 |
20.02 |
A |
ATOM |
5711 |
O |
PHE |
A |
98 |
4.125 |
28.583 |
31.089 |
1.00 |
20.09 |
A |
ATOM |
5712 |
N |
MET |
A |
99 |
5.793 |
27.090 |
31.195 |
1.00 |
20.31 |
A |
ATOM |
5713 |
CA |
MET |
A |
99 |
6.607 |
27.937 |
32.064 |
1.00 |
21.46 |
A |
ATOM |
5714 |
CB |
MET |
A |
99 |
7.934 |
27.249 |
32.397 |
1.00 |
21.92 |
A |
ATOM |
5715 |
CG |
MET |
A |
99 |
7.805 |
25.906 |
33.110 |
1.00 |
22.64 |
A |
ATOM |
5716 |
SD |
MET |
A |
99 |
6.818 |
25.981 |
34.620 |
1.00 |
23.36 |
A |
ATOM |
5717 |
CE |
MET |
A |
99 |
7.919 |
26.938 |
35.719 |
1.00 |
23.75 |
A |
ATOM |
5718 |
C |
MET |
A |
99 |
6.885 |
29.294 |
31.416 |
1.00 |
21.88 |
A |
ATOM |
5719 |
O |
MET |
A |
99 |
6.921 |
30.321 |
32.101 |
1.00 |
21.92 |
A |
ATOM |
5720 |
N |
SER |
A |
100 |
7.068 |
29.297 |
30.097 |
1.00 |
22.34 |
A |
ATOM |
5721 |
CA |
SER |
A |
100 |
7.356 |
30.530 |
29.359 |
1.00 |
23.09 |
A |
ATOM |
5722 |
CB |
SER |
A |
100 |
7.848 |
30.196 |
27.946 |
1.00 |
22.97 |
A |
ATOM |
5723 |
OG |
SER |
A |
100 |
9.105 |
29.535 |
27.992 |
1.00 |
22.88 |
A |
ATOM |
5724 |
C |
SER |
A |
100 |
6.169 |
31.486 |
29.280 |
1.00 |
23.87 |
A |
ATOM |
5725 |
O |
SER |
A |
100 |
6.337 |
32.665 |
28.953 |
1.00 |
23.83 |
A |
ATOM |
5726 |
N |
CYS |
A |
101 |
4.973 |
30.980 |
29.569 |
1.00 |
24.59 |
A |
ATOM |
5727 |
CA |
CYS |
A |
101 |
3.769 |
31.812 |
29.551 |
1.00 |
25.73 |
A |
ATOM |
5728 |
CB |
CYS |
A |
101 |
2.504 |
30.950 |
29.642 |
1.00 |
26.18 |
A |
ATOM |
5729 |
SG |
CYS |
A |
101 |
2.072 |
30.045 |
28.134 |
1.00 |
27.14 |
A |
ATOM |
5730 |
C |
CYS |
A |
101 |
3.764 |
32.802 |
30.711 |
1.00 |
26.07 |
A |
ATOM |
5731 |
O |
CYS |
A |
101 |
3.164 |
33.869 |
30.611 |
1.00 |
26.17 |
A |
ATOM |
5732 |
N |
PHE |
A |
102 |
4.424 |
32.452 |
31.814 |
1.00 |
26.61 |
A |
ATOM |
5733 |
CA |
PHE |
A |
102 |
4.448 |
33.344 |
32.969 |
1.00 |
27.42 |
A |
ATOM |
5734 |
CB |
PHE |
A |
102 |
4.968 |
32.621 |
34.218 |
1.00 |
27.19 |
A |
ATOM |
5735 |
CG |
PHE |
A |
102 |
4.090 |
31.491 |
34.683 |
1.00 |
26.99 |
A |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
4.118 |
30.261 |
34.035 |
1.00 |
26.96 |
A |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
3.232 |
31.657 |
35.769 |
1.00 |
27.14 |
A |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
3.308 |
29.205 |
34.459 |
1.00 |
27.01 |
A |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
2.418 |
30.609 |
36.202 |
1.00 |
26.99 |
A |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
2.456 |
29.378 |
35.542 |
1.00 |
27.14 |
A |
ATOM |
5741 |
C |
PHE |
A |
102 |
5.298 |
34.587 |
32.719 |
1.00 |
27.95 |
A |
ATOM |
5742 |
O |
PHE |
A |
102 |
6.423 |
34.495 |
32.237 |
1.00 |
27.67 |
A |
ATOM |
5743 |
N |
PRO |
A |
103 |
4.761 |
35.774 |
33.045 |
1.00 |
28.91 |
A |
ATOM |
5744 |
CD |
PRO |
A |
103 |
3.381 |
36.039 |
33.496 |
1.00 |
29.00 |
A |
ATOM |
5745 |
CA |
PRO |
A |
103 |
5.496 |
37.027 |
32.845 |
1.00 |
29.76 |
A |
ATOM |
5746 |
CB |
PRO |
A |
103 |
4.381 |
38.061 |
32.792 |
1.00 |
29.51 |
A |
ATOM |
5747 |
CG |
PRO |
A |
103 |
3.410 |
37.534 |
33.798 |
1.00 |
29.21 |
A |
ATOM |
5748 |
C |
PRO |
A |
103 |
6.470 |
37.276 |
33.995 |
1.00 |
30.76 |
A |
ATOM |
5749 |
O |
PRO |
A |
103 |
6.244 |
38.155 |
34.828 |
1.00 |
30.85 |
A |
ATOM |
5750 |
N |
TRP |
A |
104 |
7.555 |
36.508 |
34.027 |
1.00 |
31.83 |
A |
ATOM |
5751 |
CA |
TRP |
A |
104 |
8.551 |
36.628 |
35.089 |
1.00 |
33.11 |
A |
ATOM |
5752 |
CB |
TRP |
A |
104 |
9.647 |
35.572 |
34.917 |
1.00 |
32.91 |
A |
ATOM |
5753 |
CG |
TRP |
A |
104 |
9.124 |
34.178 |
34.737 |
1.00 |
32.96 |
A |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
8.713 |
33.275 |
35.772 |
1.00 |
32.96 |
A |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
8.269 |
32.092 |
35.141 |
1.00 |
33.00 |
A |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
8.677 |
33.351 |
37.174 |
1.00 |
33.00 |
A |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
8.918 |
33.525 |
33.555 |
1.00 |
32.88 |
A |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
8.405 |
32.271 |
33.789 |
1.00 |
32.93 |
A |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
7.792 |
30.992 |
35.862 |
1.00 |
33.01 |
A |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
8.201 |
32.255 |
37.890 |
1.00 |
33.07 |
A |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
7.766 |
31.093 |
37.231 |
1.00 |
32.98 |
A |
ATOM |
5762 |
C |
TRP |
A |
104 |
9.205 |
38.003 |
35.194 |
1.00 |
34.03 |
A |
ATOM |
5763 |
O |
TRP |
A |
104 |
9.515 |
38.460 |
36.291 |
1.00 |
34.18 |
A |
ATOM |
5764 |
N |
ALA |
A |
105 |
9.414 |
38.657 |
34.055 |
1.00 |
35.15 |
A |
ATOM |
5765 |
CA |
ALA |
A |
105 |
10.052 |
39.972 |
34.038 |
1.00 |
36.46 |
A |
ATOM |
5766 |
CB |
ALA |
A |
105 |
10.943 |
40.095 |
32.804 |
1.00 |
36.36 |
A |
ATOM |
5767 |
C |
ALA |
A |
105 |
9.054 |
41.128 |
34.075 |
1.00 |
37.41 |
A |
ATOM |
5768 |
O |
ALA |
A |
105 |
9.450 |
42.294 |
34.080 |
1.00 |
37.56 |
A |
ATOM |
5769 |
N |
GLU |
A |
106 |
7.765 |
40.806 |
34.101 |
1.00 |
38.52 |
A |
ATOM |
5770 |
CA |
GLU |
A |
106 |
6.723 |
41.828 |
34.133 |
1.00 |
39.67 |
A |
ATOM |
5771 |
CB |
GLU |
A |
106 |
5.344 |
41.166 |
34.069 |
1.00 |
39.95 |
A |
ATOM |
5772 |
CG |
GLU |
A |
106 |
4.165 |
42.130 |
34.045 |
1.00 |
40.21 |
A |
ATOM |
5773 |
CD |
GLU |
A |
106 |
4.304 |
43.209 |
32.989 |
1.00 |
40.48 |
A |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
4.932 |
44.251 |
33.276 |
1.00 |
40.68 |
A |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
3.796 |
43.014 |
31.864 |
1.00 |
40.58 |
A |
ATOM |
5776 |
C |
GLU |
A |
106 |
6.819 |
42.701 |
35.381 |
1.00 |
40.42 |
A |
ATOM |
5777 |
O |
GLU |
A |
106 |
6.609 |
42.231 |
36.500 |
1.00 |
40.56 |
A |
ATOM |
5778 |
N |
LYS |
A |
107 |
7.136 |
43.978 |
35.189 |
1.00 |
41.30 |
A |
ATOM |
5779 |
CA |
LYS |
A |
107 |
7.250 |
44.895 |
36.315 |
1.00 |
42.22 |
A |
ATOM |
5780 |
CB |
LYS |
A |
107 |
8.092 |
46.110 |
35.927 |
1.00 |
42.33 |
A |
ATOM |
5781 |
CG |
LYS |
A |
107 |
9.587 |
45.866 |
36.016 |
1.00 |
42.56 |
A |
ATOM |
5782 |
CD |
LYS |
A |
107 |
10.000 |
45.596 |
37.457 |
1.00 |
42.79 |
A |
ATOM |
5783 |
CE |
LYS |
A |
107 |
11.501 |
45.396 |
37.583 |
1.00 |
42.86 |
A |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
12.264 |
46.598 |
37.132 |
1.00 |
43.08 |
A |
ATOM |
5785 |
C |
LYS |
A |
107 |
5.890 |
45.343 |
36.831 |
1.00 |
42.73 |
A |
ATOM |
5786 |
O |
LYS |
A |
107 |
5.719 |
45.571 |
38.030 |
1.00 |
42.99 |
A |
ATOM |
5787 |
N |
LYS |
A |
108 |
4.925 |
45.465 |
35.927 |
1.00 |
43.26 |
A |
ATOM |
5788 |
CA |
LYS |
A |
108 |
3.575 |
45.875 |
36.299 |
1.00 |
43.78 |
A |
ATOM |
5789 |
CB |
LYS |
A |
108 |
2.734 |
46.106 |
35.041 |
1.00 |
43.97 |
A |
ATOM |
5790 |
CG |
LYS |
A |
108 |
3.322 |
47.146 |
34.099 |
1.00 |
44.32 |
A |
ATOM |
5791 |
CD |
LYS |
A |
108 |
2.459 |
47.357 |
32.862 |
1.00 |
44.57 |
A |
ATOM |
5792 |
CE |
LYS |
A |
108 |
2.469 |
46.142 |
31.950 |
1.00 |
44.80 |
A |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
1.672 |
46.386 |
30.716 |
1.00 |
45.09 |
A |
ATOM |
5794 |
C |
LYS |
A |
108 |
2.937 |
44.793 |
37.169 |
1.00 |
44.07 |
A |
ATOM |
5795 |
O |
LYS |
A |
108 |
2.342 |
43.841 |
36.662 |
1.00 |
44.03 |
A |
ATOM |
5796 |
N |
GLN |
A |
109 |
3.069 |
44.954 |
38.483 |
1.00 |
44.42 |
A |
ATOM |
5797 |
CA |
GLN |
A |
109 |
2.535 |
44.001 |
39.453 |
1.00 |
44.80 |
A |
ATOM |
5798 |
CB |
GLN |
A |
109 |
2.686 |
44.569 |
40.870 |
1.00 |
45.10 |
A |
ATOM |
5799 |
CG |
GLN |
A |
109 |
2.511 |
43.547 |
41.989 |
1.00 |
45.66 |
A |
ATOM |
5800 |
CD |
GLN |
A |
109 |
3.703 |
42.612 |
42.129 |
1.00 |
45.85 |
A |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
3.740 |
41.763 |
43.022 |
1.00 |
46.01 |
A |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
4.688 |
42.767 |
41.247 |
1.00 |
46.00 |
A |
ATOM |
5803 |
C |
GLN |
A |
109 |
1.070 |
43.648 |
39.197 |
1.00 |
44.83 |
A |
ATOM |
5804 |
O |
GLN |
A |
109 |
0.675 |
42.484 |
39.288 |
1.00 |
44.88 |
A |
ATOM |
5805 |
N |
ASP |
A |
110 |
0.267 |
44.656 |
38.876 |
1.00 |
44.78 |
A |
ATOM |
5806 |
CA |
ASP |
A |
110 |
−1.153 |
44.451 |
38.616 |
1.00 |
44.83 |
A |
ATOM |
5807 |
CB |
ASP |
A |
110 |
−1.816 |
45.784 |
38.257 |
1.00 |
45.28 |
A |
ATOM |
5808 |
CG |
ASP |
A |
110 |
−1.243 |
46.399 |
36.992 |
1.00 |
45.63 |
A |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
−0.023 |
46.675 |
36.958 |
1.00 |
45.86 |
A |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
−2.016 |
46.605 |
36.030 |
1.00 |
46.00 |
A |
ATOM |
5811 |
C |
ASP |
A |
110 |
−1.399 |
43.437 |
37.496 |
1.00 |
44.67 |
A |
ATOM |
5812 |
O |
ASP |
A |
110 |
−2.296 |
42.600 |
37.590 |
1.00 |
44.60 |
A |
ATOM |
5813 |
N |
VAL |
A |
111 |
−0.597 |
43.519 |
36.439 |
1.00 |
44.34 |
A |
ATOM |
5814 |
CA |
VAL |
A |
111 |
−0.730 |
42.621 |
35.298 |
1.00 |
44.07 |
A |
ATOM |
5815 |
CB |
VAL |
A |
111 |
−0.112 |
43.254 |
34.031 |
1.00 |
44.24 |
A |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
−0.338 |
42.352 |
32.828 |
1.00 |
44.21 |
A |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
−0.718 |
44.628 |
33.794 |
1.00 |
44.30 |
A |
ATOM |
5818 |
C |
VAL |
A |
111 |
−0.058 |
41.273 |
35.556 |
1.00 |
43.75 |
A |
ATOM |
5819 |
O |
VAL |
A |
111 |
−0.571 |
40.229 |
35.157 |
1.00 |
43.61 |
A |
ATOM |
5820 |
N |
LYS |
A |
112 |
1.088 |
41.305 |
36.227 |
1.00 |
43.49 |
A |
ATOM |
5821 |
CA |
LYS |
A |
112 |
1.834 |
40.093 |
36.534 |
1.00 |
43.29 |
A |
ATOM |
5822 |
CB |
LYS |
A |
112 |
3.161 |
40.452 |
37.207 |
1.00 |
43.21 |
A |
ATOM |
5823 |
CG |
LYS |
A |
112 |
4.040 |
39.255 |
37.531 |
1.00 |
43.24 |
A |
ATOM |
5824 |
CD |
LYS |
A |
112 |
5.354 |
39.686 |
38.160 |
1.00 |
43.22 |
A |
ATOM |
5825 |
CE |
LYS |
A |
112 |
6.284 |
38.499 |
38.369 |
1.00 |
43.30 |
A |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
7.585 |
38.911 |
38.962 |
1.00 |
43.09 |
A |
ATOM |
5827 |
C |
LYS |
A |
112 |
1.036 |
39.159 |
37.440 |
1.00 |
43.21 |
A |
ATOM |
5828 |
O |
LYS |
A |
112 |
0.865 |
37.976 |
37.136 |
1.00 |
43.01 |
A |
ATOM |
5829 |
N |
GLU |
A |
113 |
0.547 |
39.703 |
38.551 |
1.00 |
43.11 |
A |
ATOM |
5830 |
CA |
GLU |
A |
113 |
−0.230 |
38.935 |
39.521 |
1.00 |
42.91 |
A |
ATOM |
5831 |
CB |
GLU |
A |
113 |
−0.676 |
39.849 |
40.670 |
1.00 |
43.22 |
A |
ATOM |
5832 |
CG |
GLU |
A |
113 |
−1.401 |
39.138 |
41.808 |
1.00 |
43.46 |
A |
ATOM |
5833 |
CD |
GLU |
A |
113 |
−0.473 |
38.290 |
42.660 |
1.00 |
43.66 |
A |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
−0.951 |
37.683 |
43.644 |
1.00 |
43.73 |
A |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
0.738 |
38.232 |
42.348 |
1.00 |
43.75 |
A |
ATOM |
5836 |
C |
GLU |
A |
113 |
−1.460 |
38.288 |
38.884 |
1.00 |
42.68 |
A |
ATOM |
5837 |
O |
GLU |
A |
113 |
−1.799 |
37.142 |
39.187 |
1.00 |
42.56 |
A |
ATOM |
5838 |
N |
GLN |
A |
114 |
−2.121 |
39.031 |
38.002 |
1.00 |
42.28 |
A |
ATOM |
5839 |
CA |
GLN |
A |
114 |
−3.323 |
38.552 |
37.326 |
1.00 |
41.94 |
A |
ATOM |
5840 |
CB |
GLN |
A |
114 |
−3.979 |
39.712 |
36.568 |
1.00 |
42.26 |
A |
ATOM |
5841 |
CG |
GLN |
A |
114 |
−5.404 |
39.462 |
36.083 |
1.00 |
42.72 |
A |
ATOM |
5842 |
CD |
GLN |
A |
114 |
−5.470 |
38.624 |
34.821 |
1.00 |
42.97 |
A |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
−4.796 |
38.918 |
33.830 |
1.00 |
43.14 |
A |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
−6.302 |
37.584 |
34.841 |
1.00 |
43.11 |
A |
ATOM |
5845 |
C |
GLN |
A |
114 |
−3.030 |
37.396 |
36.372 |
1.00 |
41.52 |
A |
ATOM |
5846 |
O |
GLN |
A |
114 |
−3.796 |
36.435 |
36.294 |
1.00 |
41.60 |
A |
ATOM |
5847 |
N |
MET |
A |
115 |
−1.919 |
37.488 |
35.648 |
1.00 |
40.93 |
A |
ATOM |
5848 |
CA |
MET |
A |
115 |
−1.549 |
36.439 |
34.706 |
1.00 |
40.35 |
A |
ATOM |
5849 |
CB |
MET |
A |
115 |
−0.437 |
36.930 |
33.774 |
1.00 |
40.74 |
A |
ATOM |
5850 |
CG |
MET |
A |
115 |
−0.045 |
35.930 |
32.692 |
1.00 |
41.32 |
A |
ATOM |
5851 |
SD |
MET |
A |
115 |
−1.436 |
35.356 |
31.684 |
1.00 |
42.13 |
A |
ATOM |
5852 |
CE |
MET |
A |
115 |
−1.186 |
36.293 |
30.162 |
1.00 |
42.02 |
A |
ATOM |
5853 |
C |
MET |
A |
115 |
−1.105 |
35.168 |
35.436 |
1.00 |
39.61 |
A |
ATOM |
5854 |
O |
MET |
A |
115 |
−1.398 |
34.059 |
34.990 |
1.00 |
39.35 |
A |
ATOM |
5855 |
N |
PHE |
A |
116 |
−0.405 |
35.332 |
36.556 |
1.00 |
38.88 |
A |
ATOM |
5856 |
CA |
PHE |
A |
116 |
0.056 |
34.188 |
37.335 |
1.00 |
38.26 |
A |
ATOM |
5857 |
CB |
PHE |
A |
116 |
0.942 |
34.638 |
38.501 |
1.00 |
38.13 |
A |
ATOM |
5858 |
CG |
PHE |
A |
116 |
2.406 |
34.690 |
38.170 |
1.00 |
37.93 |
A |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
2.893 |
35.593 |
37.232 |
1.00 |
37.95 |
A |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
3.304 |
33.838 |
38.808 |
1.00 |
37.87 |
A |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
4.254 |
35.646 |
36.930 |
1.00 |
37.97 |
A |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
4.665 |
33.882 |
38.514 |
1.00 |
37.79 |
A |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
5.141 |
34.789 |
37.575 |
1.00 |
37.96 |
A |
ATOM |
5864 |
C |
PHE |
A |
116 |
−1.114 |
33.385 |
37.886 |
1.00 |
38.04 |
A |
ATOM |
5865 |
O |
PHE |
A |
116 |
−1.147 |
32.161 |
37.769 |
1.00 |
37.81 |
A |
ATOM |
6152 |
N |
TYR |
A |
152 |
13.539 |
17.574 |
33.797 |
1.00 |
16.38 |
A |
ATOM |
6153 |
CA |
TYR |
A |
152 |
12.825 |
18.812 |
33.538 |
1.00 |
16.80 |
A |
ATOM |
6154 |
CB |
TYR |
A |
152 |
12.658 |
19.044 |
32.028 |
1.00 |
17.06 |
A |
ATOM |
6155 |
CG |
TYR |
A |
152 |
12.623 |
20.514 |
31.669 |
1.00 |
17.96 |
A |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
13.677 |
21.359 |
32.026 |
1.00 |
18.34 |
A |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
13.642 |
22.720 |
31.737 |
1.00 |
19.38 |
A |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
11.530 |
21.074 |
31.003 |
1.00 |
17.98 |
A |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
11.491 |
22.442 |
30.706 |
1.00 |
19.01 |
A |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
12.548 |
23.256 |
31.077 |
1.00 |
19.24 |
A |
ATOM |
6161 |
OH |
TYR |
A |
152 |
12.517 |
24.604 |
30.789 |
1.00 |
20.15 |
A |
ATOM |
6162 |
C |
TYR |
A |
152 |
11.470 |
18.861 |
34.239 |
1.00 |
16.67 |
A |
ATOM |
6163 |
O |
TYR |
A |
152 |
11.031 |
19.932 |
34.652 |
1.00 |
16.60 |
A |
ATOM |
6164 |
N |
TRP |
A |
153 |
10.804 |
17.713 |
34.379 |
1.00 |
16.52 |
A |
ATOM |
6165 |
CA |
TRP |
A |
153 |
9.518 |
17.691 |
35.071 |
1.00 |
16.67 |
A |
ATOM |
6166 |
CB |
TRP |
A |
153 |
8.870 |
16.299 |
35.002 |
1.00 |
16.89 |
A |
ATOM |
6167 |
CG |
TRP |
A |
153 |
7.851 |
16.082 |
36.080 |
1.00 |
17.11 |
A |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
6.691 |
16.883 |
36.345 |
1.00 |
17.34 |
A |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
6.067 |
16.349 |
37.496 |
1.00 |
17.61 |
A |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
6.122 |
18.001 |
35.726 |
1.00 |
17.51 |
A |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
7.879 |
15.120 |
37.053 |
1.00 |
17.56 |
A |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
6.815 |
15.278 |
37.906 |
1.00 |
17.47 |
A |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
4.893 |
16.893 |
38.038 |
1.00 |
17.62 |
A |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
4.954 |
18.548 |
36.264 |
1.00 |
17.52 |
A |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
4.352 |
17.990 |
37.410 |
1.00 |
17.93 |
A |
ATOM |
6176 |
C |
TRP |
A |
153 |
9.719 |
18.073 |
36.540 |
1.00 |
16.90 |
A |
ATOM |
6177 |
O |
TRP |
A |
153 |
8.963 |
18.874 |
37.101 |
1.00 |
16.93 |
A |
ATOM |
6178 |
N |
GLU |
A |
154 |
10.746 |
17.502 |
37.156 |
1.00 |
16.92 |
A |
ATOM |
6179 |
CA |
GLU |
A |
154 |
11.035 |
17.762 |
38.561 |
1.00 |
17.77 |
A |
ATOM |
6180 |
CB |
GLU |
A |
154 |
12.168 |
16.846 |
39.037 |
1.00 |
18.50 |
A |
ATOM |
6181 |
CG |
GLU |
A |
154 |
12.341 |
16.793 |
40.555 |
1.00 |
20.34 |
A |
ATOM |
6182 |
CD |
GLU |
A |
154 |
13.143 |
17.942 |
41.115 |
1.00 |
21.37 |
A |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
13.106 |
18.142 |
42.352 |
1.00 |
22.31 |
A |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
13.825 |
18.645 |
40.336 |
1.00 |
22.41 |
A |
ATOM |
6185 |
C |
GLU |
A |
154 |
11.409 |
19.223 |
38.779 |
1.00 |
17.80 |
A |
ATOM |
6186 |
O |
GLU |
A |
154 |
10.992 |
19.841 |
39.765 |
1.00 |
17.40 |
A |
ATOM |
6187 |
N |
ILE |
A |
155 |
12.189 |
19.766 |
37.848 |
1.00 |
17.91 |
A |
ATOM |
6188 |
CA |
ILE |
A |
155 |
12.632 |
21.158 |
37.916 |
1.00 |
18.46 |
A |
ATOM |
6189 |
CB |
ILE |
A |
155 |
13.704 |
21.442 |
36.837 |
1.00 |
18.42 |
A |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
13.999 |
22.953 |
36.754 |
1.00 |
18.94 |
A |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
14.972 |
20.643 |
37.160 |
1.00 |
18.56 |
A |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
16.070 |
20.752 |
36.113 |
1.00 |
17.73 |
A |
ATOM |
6193 |
C |
ILE |
A |
155 |
11.468 |
22.133 |
37.748 |
1.00 |
18.60 |
A |
ATOM |
6194 |
O |
ILE |
A |
155 |
11.320 |
23.084 |
38.527 |
1.00 |
18.55 |
A |
ATOM |
6195 |
N |
CYS |
A |
156 |
10.640 |
21.901 |
36.734 |
1.00 |
18.62 |
A |
ATOM |
6196 |
CA |
CYS |
A |
156 |
9.495 |
22.768 |
36.498 |
1.00 |
19.08 |
A |
ATOM |
6197 |
CB |
CYS |
A |
156 |
8.808 |
22.418 |
35.170 |
1.00 |
19.21 |
A |
ATOM |
6198 |
SG |
CYS |
A |
156 |
9.783 |
22.809 |
33.694 |
1.00 |
20.15 |
A |
ATOM |
6199 |
C |
CYS |
A |
156 |
8.479 |
22.675 |
37.633 |
1.00 |
18.95 |
A |
ATOM |
6200 |
O |
CYS |
A |
156 |
7.950 |
23.689 |
38.082 |
1.00 |
19.21 |
A |
ATOM |
6201 |
N |
SER |
A |
157 |
8.210 |
21.461 |
38.108 |
1.00 |
18.70 |
A |
ATOM |
6202 |
CA |
SER |
A |
157 |
7.229 |
21.301 |
39.175 |
1.00 |
18.57 |
A |
ATOM |
6203 |
CB |
SER |
A |
157 |
6.890 |
19.820 |
39.388 |
1.00 |
18.17 |
A |
ATOM |
6204 |
OG |
SER |
A |
157 |
8.042 |
19.055 |
39.674 |
1.00 |
18.09 |
A |
ATOM |
6205 |
C |
SER |
A |
157 |
7.715 |
21.933 |
40.476 |
1.00 |
18.73 |
A |
ATOM |
6206 |
O |
SER |
A |
157 |
6.911 |
22.420 |
41.269 |
1.00 |
18.90 |
A |
ATOM |
6207 |
N |
THR |
A |
158 |
9.025 |
21.928 |
40.694 |
1.00 |
18.86 |
A |
ATOM |
6208 |
CA |
THR |
A |
158 |
9.586 |
22.536 |
41.898 |
1.00 |
19.39 |
A |
ATOM |
6209 |
CB |
THR |
A |
158 |
11.124 |
22.436 |
41.915 |
1.00 |
19.38 |
A |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
11.513 |
21.058 |
41.992 |
1.00 |
19.86 |
A |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
11.697 |
23.181 |
43.111 |
1.00 |
19.72 |
A |
ATOM |
6212 |
C |
THR |
A |
158 |
9.180 |
24.011 |
41.953 |
1.00 |
19.58 |
A |
ATOM |
6213 |
O |
THR |
A |
158 |
8.727 |
24.502 |
42.989 |
1.00 |
19.55 |
A |
ATOM |
6214 |
N |
THR |
A |
159 |
9.336 |
24.714 |
40.836 |
1.00 |
19.71 |
A |
ATOM |
6215 |
CA |
THR |
A |
159 |
8.977 |
26.129 |
40.791 |
1.00 |
20.16 |
A |
ATOM |
6216 |
CB |
THR |
A |
159 |
9.553 |
26.810 |
39.531 |
1.00 |
20.13 |
A |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
10.981 |
26.811 |
39.617 |
1.00 |
20.61 |
A |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
9.067 |
28.255 |
39.425 |
1.00 |
20.46 |
A |
ATOM |
6219 |
C |
THR |
A |
159 |
7.468 |
26.347 |
40.855 |
1.00 |
20.37 |
A |
ATOM |
6220 |
O |
THR |
A |
159 |
6.996 |
27.261 |
41.529 |
1.00 |
20.42 |
A |
ATOM |
6221 |
N |
LEU |
A |
160 |
6.701 |
25.509 |
40.163 |
1.00 |
20.18 |
A |
ATOM |
6222 |
CA |
LEU |
A |
160 |
5.258 |
25.651 |
40.195 |
1.00 |
20.20 |
A |
ATOM |
6223 |
CB |
LEU |
A |
160 |
4.607 |
24.665 |
39.229 |
1.00 |
20.20 |
A |
ATOM |
6224 |
CG |
LEU |
A |
160 |
4.790 |
24.985 |
37.742 |
1.00 |
20.36 |
A |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
4.148 |
23.883 |
36.919 |
1.00 |
20.38 |
A |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
4.171 |
26.340 |
37.411 |
1.00 |
20.08 |
A |
ATOM |
6227 |
C |
LEU |
A |
160 |
4.720 |
25.430 |
41.607 |
1.00 |
20.21 |
A |
ATOM |
6228 |
O |
LEU |
A |
160 |
3.812 |
26.133 |
42.043 |
1.00 |
19.87 |
A |
ATOM |
6229 |
N |
LEU |
A |
161 |
5.290 |
24.459 |
42.321 |
1.00 |
20.19 |
A |
ATOM |
6230 |
CA |
LEU |
A |
161 |
4.853 |
24.148 |
43.686 |
1.00 |
20.28 |
A |
ATOM |
6231 |
CB |
LEU |
A |
161 |
5.580 |
22.902 |
44.207 |
1.00 |
20.48 |
A |
ATOM |
6232 |
CG |
LEU |
A |
161 |
5.015 |
21.562 |
43.713 |
1.00 |
20.77 |
A |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
6.014 |
20.435 |
43.957 |
1.00 |
20.74 |
A |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
3.700 |
21.283 |
44.419 |
1.00 |
20.80 |
A |
ATOM |
6235 |
C |
LEU |
A |
161 |
5.048 |
25.312 |
44.655 |
1.00 |
20.60 |
A |
ATOM |
6236 |
O |
LEU |
A |
161 |
4.329 |
25.426 |
45.651 |
1.00 |
20.50 |
A |
ATOM |
6237 |
N |
VAL |
A |
162 |
6.021 |
26.170 |
44.364 |
1.00 |
20.44 |
A |
ATOM |
6238 |
CA |
VAL |
A |
162 |
6.282 |
27.335 |
45.207 |
1.00 |
20.53 |
A |
ATOM |
6239 |
CB |
VAL |
A |
162 |
7.546 |
28.101 |
44.744 |
1.00 |
20.23 |
A |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
7.622 |
29.466 |
45.434 |
1.00 |
20.06 |
A |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
8.792 |
27.291 |
45.050 |
1.00 |
19.98 |
A |
ATOM |
6242 |
C |
VAL |
A |
162 |
5.097 |
28.290 |
45.150 |
1.00 |
21.05 |
A |
ATOM |
6243 |
O |
VAL |
A |
162 |
4.711 |
28.879 |
46.160 |
1.00 |
21.34 |
A |
ATOM |
6244 |
N |
PHE |
A |
163 |
4.524 |
28.452 |
43.963 |
1.00 |
21.34 |
A |
ATOM |
6245 |
CA |
PHE |
A |
163 |
3.395 |
29.356 |
43.785 |
1.00 |
21.75 |
A |
ATOM |
6246 |
CB |
PHE |
A |
163 |
3.517 |
30.080 |
42.448 |
1.00 |
21.81 |
A |
ATOM |
6247 |
CG |
PHE |
A |
163 |
4.798 |
30.832 |
42.290 |
1.00 |
22.12 |
A |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
5.912 |
30.223 |
41.723 |
1.00 |
22.14 |
A |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
4.904 |
32.147 |
42.735 |
1.00 |
22.21 |
A |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
7.114 |
30.915 |
41.598 |
1.00 |
22.33 |
A |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
6.103 |
32.845 |
42.615 |
1.00 |
22.06 |
A |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
7.211 |
32.232 |
42.048 |
1.00 |
22.23 |
A |
ATOM |
6253 |
C |
PHE |
A |
163 |
2.035 |
28.679 |
43.866 |
1.00 |
21.93 |
A |
ATOM |
6254 |
O |
PHE |
A |
163 |
1.016 |
29.351 |
44.006 |
1.00 |
22.09 |
A |
ATOM |
6528 |
N |
THR |
A |
197 |
16.938 |
29.580 |
46.456 |
1.00 |
42.04 |
A |
ATOM |
6529 |
CA |
THR |
A |
197 |
16.335 |
30.780 |
45.882 |
1.00 |
42.10 |
A |
ATOM |
6530 |
CB |
THR |
A |
197 |
17.042 |
31.183 |
44.574 |
1.00 |
41.93 |
A |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
17.071 |
30.063 |
43.680 |
1.00 |
41.66 |
A |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
18.466 |
31.642 |
44.858 |
1.00 |
41.90 |
A |
ATOM |
6533 |
C |
THR |
A |
197 |
14.852 |
30.565 |
45.588 |
1.00 |
42.37 |
A |
ATOM |
6534 |
O |
THR |
A |
197 |
14.363 |
29.436 |
45.631 |
1.00 |
42.08 |
A |
ATOM |
6535 |
N |
LYS |
A |
198 |
14.140 |
31.649 |
45.288 |
1.00 |
42.36 |
A |
ATOM |
6536 |
CA |
LYS |
A |
198 |
12.712 |
31.566 |
44.992 |
1.00 |
42.71 |
A |
ATOM |
6537 |
CB |
LYS |
A |
198 |
12.052 |
32.947 |
45.102 |
1.00 |
42.62 |
A |
ATOM |
6538 |
CG |
LYS |
A |
198 |
10.532 |
32.914 |
44.946 |
1.00 |
42.36 |
A |
ATOM |
6539 |
CD |
LYS |
A |
198 |
9.902 |
34.305 |
44.974 |
1.00 |
42.26 |
A |
ATOM |
6540 |
CE |
LYS |
A |
198 |
10.279 |
35.121 |
43.746 |
1.00 |
42.29 |
A |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
9.661 |
36.480 |
43.744 |
1.00 |
42.09 |
A |
ATOM |
6542 |
C |
LYS |
A |
198 |
12.451 |
30.995 |
43.599 |
1.00 |
42.44 |
A |
ATOM |
6543 |
O |
LYS |
A |
198 |
11.440 |
30.331 |
43.376 |
1.00 |
43.10 |
A |
ATOM |
6544 |
N |
LEU |
A |
199 |
13.359 |
31.257 |
42.664 |
1.00 |
42.38 |
A |
ATOM |
6545 |
CA |
LEU |
A |
199 |
13.208 |
30.762 |
41.302 |
1.00 |
41.31 |
A |
ATOM |
6546 |
CB |
LEU |
A |
199 |
13.021 |
31.929 |
40.328 |
1.00 |
41.79 |
A |
ATOM |
6547 |
CG |
LEU |
A |
199 |
11.826 |
32.851 |
40.580 |
1.00 |
41.74 |
A |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
11.825 |
33.976 |
39.562 |
1.00 |
41.87 |
A |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
10.537 |
32.054 |
40.500 |
1.00 |
41.99 |
A |
ATOM |
6550 |
C |
LEU |
A |
199 |
14.415 |
29.940 |
40.880 |
1.00 |
41.18 |
A |
ATOM |
6551 |
O |
LEU |
A |
199 |
15.357 |
29.815 |
41.690 |
1.00 |
40.87 |
A |
ATOM |
6552 |
OXT |
LEU |
A |
199 |
14.404 |
29.431 |
39.740 |
1.00 |
40.62 |
A |
ATOM |
6613 |
N1 |
GSH |
H |
200 |
14.652 |
30.753 |
26.106 |
1.00 |
31.06 |
H |
ATOM |
6614 |
CA1 |
GSH |
H |
200 |
16.043 |
30.929 |
26.532 |
1.00 |
30.39 |
H |
ATOM |
6615 |
C1 |
GSH |
H |
200 |
16.615 |
29.624 |
27.134 |
1.00 |
29.87 |
H |
ATOM |
6616 |
O11 |
GSH |
H |
200 |
15.850 |
28.693 |
27.401 |
1.00 |
29.01 |
H |
ATOM |
6617 |
O12 |
GSH |
H |
200 |
17.912 |
29.630 |
27.407 |
1.00 |
29.27 |
H |
ATOM |
6618 |
CB1 |
GSH |
H |
200 |
16.079 |
32.017 |
27.617 |
1.00 |
30.85 |
H |
ATOM |
6619 |
CG1 |
GSH |
H |
200 |
16.018 |
33.443 |
27.054 |
1.00 |
30.90 |
H |
ATOM |
6620 |
CD1 |
GSH |
H |
200 |
15.735 |
34.381 |
28.252 |
1.00 |
30.62 |
H |
ATOM |
6621 |
OE1 |
GSH |
H |
200 |
14.695 |
35.035 |
28.263 |
1.00 |
30.67 |
H |
ATOM |
6622 |
N2 |
GSH |
H |
200 |
16.666 |
34.424 |
29.226 |
1.00 |
30.63 |
H |
ATOM |
6623 |
CA2 |
GSH |
H |
200 |
16.479 |
35.316 |
30.387 |
1.00 |
30.99 |
H |
ATOM |
6624 |
C2 |
GSH |
H |
200 |
17.327 |
36.467 |
30.245 |
1.00 |
31.16 |
H |
ATOM |
6625 |
O2 |
GSH |
H |
200 |
18.505 |
36.372 |
29.874 |
1.00 |
30.98 |
H |
ATOM |
6626 |
CB2 |
GSH |
H |
200 |
16.883 |
34.616 |
31.709 |
1.00 |
30.96 |
H |
ATOM |
6627 |
SG2 |
GSH |
H |
200 |
15.567 |
33.583 |
32.426 |
1.00 |
31.20 |
H |
ATOM |
6628 |
N3 |
GSH |
H |
200 |
16.793 |
37.649 |
30.634 |
1.00 |
31.83 |
H |
ATOM |
6629 |
CA3 |
GSH |
H |
200 |
17.595 |
38.892 |
30.738 |
1.00 |
32.45 |
H |
ATOM |
6630 |
C3 |
GSH |
H |
200 |
17.196 |
39.860 |
29.638 |
1.00 |
32.93 |
H |
ATOM |
6631 |
O31 |
GSH |
H |
200 |
17.851 |
40.926 |
29.570 |
1.00 |
33.18 |
H |
ATOM |
6632 |
O32 |
GSH |
H |
200 |
16.268 |
39.526 |
28.858 |
1.00 |
33.08 |
H |
ATOM |
6634 |
MG + 2 |
MG2 |
M |
902 |
10.400 |
26.589 |
23.001 |
1.00 |
23.91 |
M |
ATOM |
6641 |
OH2 |
WAT |
S |
7 |
11.530 |
25.061 |
23.828 |
1.00 |
37.06 |
S |
ATOM |
6642 |
OH2 |
WAT |
S |
8 |
9.540 |
27.210 |
24.684 |
1.00 |
24.57 |
S |
ATOM |
6643 |
OH2 |
WAT |
S |
9 |
9.510 |
28.276 |
22.036 |
1.00 |
26.85 |
S |
ATOM |
6644 |
OH2 |
WAT |
S |
10 |
11.074 |
26.182 |
21.146 |
1.00 |
25.39 |
S |
ATOM |
6645 |
OH2 |
WAT |
S |
11 |
8.769 |
25.220 |
22.701 |
1.00 |
23.15 |
S |
ATOM |
6646 |
OH2 |
WAT |
S |
12 |
12.343 |
27.736 |
23.214 |
1.00 |
21.75 |
S |
ATOM |
6655 |
OH2 |
WAT |
S |
21 |
16.153 |
24.647 |
33.762 |
1.00 |
15.93 |
S |
ATOM |
6660 |
OH2 |
WAT |
S |
26 |
22.016 |
34.735 |
24.315 |
1.00 |
19.54 |
S |
ATOM |
6690 |
OH2 |
WAT |
S |
56 |
19.895 |
31.455 |
26.292 |
1.00 |
20.15 |
S |
ATOM |
6722 |
OH2 |
WAT |
S |
88 |
15.099 |
33.768 |
23.429 |
1.00 |
20.21 |
S |
ATOM |
6746 |
OH2 |
WAT |
S |
112 |
13.586 |
26.219 |
37.252 |
1.00 |
28.05 |
S |
ATOM |
6749 |
OH2 |
WAT |
S |
115 |
29.682 |
31.074 |
30.423 |
1.00 |
32.25 |
S |
ATOM |
6757 |
OH2 |
WAT |
S |
123 |
20.931 |
25.748 |
41.633 |
1.00 |
32.02 |
S |
ATOM |
6758 |
OH2 |
WAT |
S |
124 |
17.734 |
33.757 |
22.543 |
1.00 |
19.10 |
S |
ATOM |
6770 |
OH2 |
WAT |
S |
136 |
13.426 |
24.600 |
39.459 |
1.00 |
28.07 |
S |
ATOM |
6774 |
OH2 |
WAT |
S |
140 |
16.050 |
26.391 |
24.708 |
1.00 |
22.82 |
S |
ATOM |
6782 |
OH2 |
WAT |
S |
148 |
14.395 |
37.589 |
28.342 |
1.00 |
35.97 |
S |
ATOM |
6811 |
OH2 |
WAT |
S |
177 |
19.958 |
32.909 |
23.887 |
1.00 |
18.07 |
S |
ATOM |
6829 |
OH2 |
WAT |
S |
195 |
14.106 |
35.347 |
25.480 |
1.00 |
25.75 |
S |
ATOM |
6840 |
OH2 |
WAT |
S |
206 |
14.044 |
35.490 |
20.956 |
1.00 |
20.11 |
S |
ATOM |
6928 |
OH2 |
WAT |
S |
294 |
25.213 |
29.402 |
36.456 |
1.00 |
21.97 |
S |
ATOM |
6929 |
OH2 |
WAT |
S |
295 |
4.780 |
29.656 |
25.498 |
1.00 |
28.39 |
S |
ATOM |
6940 |
OH2 |
WAT |
S |
306 |
11.910 |
36.992 |
22.272 |
1.00 |
27.44 |
S |
ATOM |
7008 |
OH2 |
WAT |
S |
374 |
19.731 |
28.119 |
43.144 |
1.00 |
34.76 |
S |
ATOM |
7079 |
OH2 |
WAT |
S |
445 |
9.001 |
41.153 |
37.697 |
1.00 |
40.98 |
S |
ATOM |
7085 |
OH2 |
WAT |
S |
451 |
14.312 |
39.335 |
22.120 |
1.00 |
52.27 |
S |
ATOM |
7095 |
OH2 |
WAT |
S |
461 |
11.445 |
36.299 |
24.804 |
1.00 |
39.65 |
S |
ATOM |
7123 |
OH2 |
WAT |
S |
489 |
11.366 |
30.498 |
26.166 |
1.00 |
37.93 |
S |
ATOM |
7129 |
OH2 |
WAT |
S |
495 |
16.228 |
23.406 |
21.692 |
1.00 |
34.70 |
S |
ATOM |
7138 |
OH2 |
WAT |
S |
504 |
21.673 |
36.938 |
40.112 |
1.00 |
39.58 |
S |
ATOM |
7140 |
OH2 |
WAT |
S |
506 |
8.186 |
35.879 |
39.587 |
1.00 |
35.09 |
S |
ATOM |
7155 |
OH2 |
WAT |
S |
521 |
17.208 |
36.485 |
21.785 |
1.00 |
33.85 |
S |
ATOM |
7179 |
OH2 |
WAT |
S |
545 |
7.692 |
39.218 |
31.544 |
1.00 |
38.01 |
S |
ATOM |
7184 |
OH2 |
WAT |
S |
550 |
16.301 |
40.121 |
43.773 |
1.00 |
42.74 |
S |
ATOM |
7205 |
OH2 |
WAT |
S |
571 |
16.471 |
40.729 |
21.826 |
1.00 |
44.98 |
S |
ATOM |
7219 |
OH2 |
WAT |
S |
585 |
12.552 |
26.597 |
33.929 |
1.00 |
43.65 |
S |
ATOM |
7229 |
OH2 |
WAT |
S |
595 |
17.756 |
38.966 |
20.182 |
1.00 |
39.29 |
S |
ATOM |
7231 |
OH2 |
WAT |
S |
597 |
13.596 |
27.392 |
25.614 |
1.00 |
33.67 |
S |
ATOM |
7235 |
OH2 |
WAT |
S |
601 |
8.227 |
29.798 |
24.106 |
1.00 |
42.88 |
S |
ATOM |
7250 |
OH2 |
WAT |
S |
616 |
12.430 |
28.404 |
38.196 |
1.00 |
28.06 |
S |
ATOM |
7302 |
OH2 |
WAT |
S |
668 |
8.268 |
32.489 |
24.271 |
1.00 |
34.58 |
S |
ATOM |
7306 |
OH2 |
WAT |
S |
672 |
13.738 |
43.695 |
22.850 |
1.00 |
40.33 |
S |
ATOM |
7350 |
OH2 |
WAT |
S |
716 |
16.122 |
38.680 |
37.510 |
1.00 |
37.39 |
S |
ATOM |
7351 |
OH2 |
WAT |
S |
717 |
12.657 |
31.864 |
34.383 |
1.00 |
37.30 |
S |
ATOM |
7362 |
OH2 |
WAT |
S |
728 |
24.227 |
34.662 |
22.649 |
1.00 |
33.80 |
S |
ATOM |
7363 |
OH2 |
WAT |
S |
729 |
25.788 |
32.632 |
21.734 |
1.00 |
31.91 |
S |
ATOM |
7398 |
OH2 |
WAT |
S |
764 |
15.402 |
25.563 |
30.917 |
1.00 |
22.67 |
S |
ATOM |
7399 |
OH2 |
WAT |
S |
765 |
13.051 |
32.782 |
31.072 |
1.00 |
31.89 |
S |
ATOM |
7400 |
OH2 |
WAT |
S |
766 |
10.600 |
32.486 |
30.037 |
1.00 |
38.06 |
S |
ATOM |
7453 |
OH2 |
WAT |
S |
818 |
10.407 |
33.035 |
26.315 |
1.00 |
34.27 |
S |
ATOM |
7454 |
OH2 |
WAT |
S |
819 |
4.103 |
39.433 |
24.839 |
1.00 |
35.58 |
S |
ATOM |
7455 |
OH2 |
WAT |
S |
820 |
8.800 |
40.482 |
25.686 |
1.00 |
38.38 |
S |
ATOM |
7466 |
OH2 |
WAT |
S |
831 |
22.905 |
42.140 |
23.725 |
1.00 |
34.87 |
S |
ATOM |
7523 |
OH2 |
WAT |
S |
890 |
11.498 |
40.681 |
41.811 |
1.00 |
34.74 |
S |
ATOM |
7533 |
OH2 |
WAT |
S |
901 |
21.231 |
36.504 |
45.050 |
1.00 |
40.93 |
S |
ATOM |
7540 |
OH2 |
WAT |
S |
908 |
16.196 |
42.111 |
32.687 |
1.00 |
37.19 |
S |
ATOM |
7588 |
OH2 |
WAT |
S |
1234 |
13.747 |
22.487 |
22.995 |
1.00 |
32.97 |
S |
|
-
TABLE 3 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with calcium, |
glutathione and 9,11-dideoxy-9α,11α- |
methanoepoxyprostaglandine F2α(U46) |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
−2.271 |
−4.196 |
32.836 |
1.00 |
14.93 |
A |
ATOM |
4967 |
CA |
TYR |
A |
8 |
−0.858 |
−4.474 |
33.097 |
1.00 |
15.12 |
A |
ATOM |
4968 |
CB |
TYR |
A |
8 |
−0.097 |
−3.155 |
33.272 |
1.00 |
14.72 |
A |
ATOM |
4969 |
CG |
TYR |
A |
8 |
1.411 |
−3.302 |
33.334 |
1.00 |
14.32 |
A |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
2.128 |
−3.846 |
32.262 |
1.00 |
13.92 |
A |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
3.518 |
−3.985 |
32.321 |
1.00 |
13.52 |
A |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
2.125 |
−2.898 |
34.469 |
1.00 |
14.03 |
A |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
3.508 |
−3.032 |
34.539 |
1.00 |
13.52 |
A |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
4.199 |
−3.577 |
33.461 |
1.00 |
13.52 |
A |
ATOM |
4975 |
OH |
TYR |
A |
8 |
5.563 |
−3.718 |
33.529 |
1.00 |
13.03 |
A |
ATOM |
4976 |
C |
TYR |
A |
8 |
−0.758 |
−5.293 |
34.384 |
1.00 |
15.52 |
A |
ATOM |
4977 |
O |
TYR |
A |
8 |
−1.775 |
−5.603 |
35.002 |
1.00 |
15.35 |
A |
ATOM |
4978 |
N |
PHE |
A |
9 |
0.460 |
−5.652 |
34.782 |
1.00 |
15.96 |
A |
ATOM |
4979 |
CA |
PHE |
A |
9 |
0.654 |
−6.400 |
36.021 |
1.00 |
16.41 |
A |
ATOM |
4980 |
CB |
PHE |
A |
9 |
2.049 |
−7.029 |
36.071 |
1.00 |
16.62 |
A |
ATOM |
4981 |
CG |
PHE |
A |
9 |
2.240 |
−8.149 |
35.092 |
1.00 |
17.03 |
A |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
3.165 |
−8.035 |
34.055 |
1.00 |
17.22 |
A |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
1.497 |
−9.322 |
35.209 |
1.00 |
17.29 |
A |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
3.352 |
−9.072 |
33.143 |
1.00 |
17.28 |
A |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
1.671 |
−10.371 |
34.304 |
1.00 |
17.39 |
A |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
2.603 |
−10.245 |
33.267 |
1.00 |
17.64 |
A |
ATOM |
4987 |
C |
PHE |
A |
9 |
0.495 |
−5.427 |
37.187 |
1.00 |
16.51 |
A |
ATOM |
4988 |
O |
PHE |
A |
9 |
0.380 |
−4.220 |
36.975 |
1.00 |
16.43 |
A |
ATOM |
4989 |
N |
ASN |
A |
10 |
0.485 |
−5.951 |
38.410 |
1.00 |
16.68 |
A |
ATOM |
4990 |
CA |
ASN |
A |
10 |
0.345 |
−5.114 |
39.595 |
1.00 |
17.13 |
A |
ATOM |
4991 |
CB |
ASN |
A |
10 |
−0.235 |
−5.911 |
40.765 |
1.00 |
17.62 |
A |
ATOM |
4992 |
CG |
ASN |
A |
10 |
−0.251 |
−5.111 |
42.053 |
1.00 |
18.18 |
A |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
−0.602 |
−3.927 |
42.060 |
1.00 |
18.91 |
A |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
0.120 |
−5.751 |
43.151 |
1.00 |
18.74 |
A |
ATOM |
4995 |
C |
ASN |
A |
10 |
1.695 |
−4.539 |
39.996 |
1.00 |
17.08 |
A |
ATOM |
4996 |
O |
ASN |
A |
10 |
2.278 |
−4.934 |
41.002 |
1.00 |
17.04 |
A |
ATOM |
4997 |
N |
MET |
A |
11 |
2.189 |
−3.607 |
39.189 |
1.00 |
16.98 |
A |
ATOM |
4998 |
CA |
MET |
A |
11 |
3.467 |
−2.962 |
39.448 |
1.00 |
16.70 |
A |
ATOM |
4999 |
CB |
MET |
A |
11 |
4.626 |
−3.927 |
39.141 |
1.00 |
17.68 |
A |
ATOM |
5000 |
CG |
MET |
A |
11 |
4.630 |
−4.530 |
37.748 |
1.00 |
18.92 |
A |
ATOM |
5001 |
SD |
MET |
A |
11 |
6.178 |
−5.456 |
37.353 |
1.00 |
20.84 |
A |
ATOM |
5002 |
CE |
MET |
A |
11 |
5.595 |
−7.137 |
37.373 |
1.00 |
19.96 |
A |
ATOM |
5003 |
C |
MET |
A |
11 |
3.561 |
−1.708 |
38.587 |
1.00 |
15.92 |
A |
ATOM |
5004 |
O |
MET |
A |
11 |
2.740 |
−1.512 |
37.702 |
1.00 |
15.49 |
A |
ATOM |
5005 |
N |
ARG |
A |
12 |
4.531 |
−0.842 |
38.872 |
1.00 |
15.17 |
A |
ATOM |
5006 |
CA |
ARG |
A |
12 |
4.697 |
0.372 |
38.084 |
1.00 |
14.70 |
A |
ATOM |
5007 |
CB |
ARG |
A |
12 |
5.759 |
1.285 |
38.704 |
1.00 |
14.69 |
A |
ATOM |
5008 |
CG |
ARG |
A |
12 |
5.418 |
1.777 |
40.110 |
1.00 |
15.00 |
A |
ATOM |
5009 |
CD |
ARG |
A |
12 |
6.413 |
2.825 |
40.594 |
1.00 |
14.97 |
A |
ATOM |
5010 |
NE |
ARG |
A |
12 |
7.785 |
2.323 |
40.634 |
1.00 |
15.22 |
A |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
8.265 |
1.490 |
41.556 |
1.00 |
15.45 |
A |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
7.485 |
1.052 |
42.536 |
1.00 |
15.40 |
A |
ATOM |
5013 |
NH2 |
ARG |
A |
12 |
9.533 |
1.096 |
41.502 |
1.00 |
15.26 |
A |
ATOM |
5014 |
C |
ARG |
A |
12 |
5.136 |
−0.069 |
36.695 |
1.00 |
14.31 |
A |
ATOM |
5015 |
O |
ARG |
A |
12 |
4.432 |
0.147 |
35.710 |
1.00 |
13.90 |
A |
ATOM |
5016 |
N |
GLY |
A |
13 |
6.301 |
−0.708 |
36.639 |
1.00 |
13.97 |
A |
ATOM |
5017 |
CA |
GLY |
A |
13 |
6.837 |
−1.202 |
35.388 |
1.00 |
13.65 |
A |
ATOM |
5018 |
C |
GLY |
A |
13 |
6.705 |
−0.260 |
34.207 |
1.00 |
13.50 |
A |
ATOM |
5019 |
O |
GLY |
A |
13 |
6.938 |
0.941 |
34.321 |
1.00 |
13.35 |
A |
ATOM |
5020 |
N |
ARG |
A |
14 |
6.309 |
−0.816 |
33.070 |
1.00 |
13.31 |
A |
ATOM |
5021 |
CA |
ARG |
A |
14 |
6.179 |
−0.047 |
31.848 |
1.00 |
13.30 |
A |
ATOM |
5022 |
CB |
ARG |
A |
14 |
6.431 |
−0.959 |
30.650 |
1.00 |
14.32 |
A |
ATOM |
5023 |
CG |
ARG |
A |
14 |
7.877 |
−1.395 |
30.542 |
1.00 |
16.00 |
A |
ATOM |
5024 |
CD |
ARG |
A |
14 |
8.117 |
−2.259 |
29.325 |
1.00 |
17.28 |
A |
ATOM |
5025 |
NE |
ARG |
A |
14 |
9.532 |
−2.265 |
28.979 |
1.00 |
18.88 |
A |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
10.134 |
−1.329 |
28.246 |
1.00 |
19.26 |
A |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
9.444 |
−0.304 |
27.762 |
1.00 |
19.28 |
A |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
11.442 |
−1.408 |
28.014 |
1.00 |
20.21 |
A |
ATOM |
5029 |
C |
ARG |
A |
14 |
4.859 |
0.689 |
31.669 |
1.00 |
12.77 |
A |
ATOM |
5030 |
O |
ARG |
A |
14 |
4.696 |
1.435 |
30.710 |
1.00 |
12.75 |
A |
ATOM |
5031 |
N |
ALA |
A |
15 |
3.920 |
0.496 |
32.590 |
1.00 |
12.21 |
A |
ATOM |
5032 |
CA |
ALA |
A |
15 |
2.624 |
1.159 |
32.493 |
1.00 |
11.48 |
A |
ATOM |
5033 |
CB |
ALA |
A |
15 |
1.531 |
0.245 |
33.019 |
1.00 |
11.52 |
A |
ATOM |
5034 |
C |
ALA |
A |
15 |
2.596 |
2.464 |
33.261 |
1.00 |
10.95 |
A |
ATOM |
5035 |
O |
ALA |
A |
15 |
1.780 |
3.352 |
32.977 |
1.00 |
10.86 |
A |
ATOM |
5036 |
N |
GLU |
A |
16 |
3.490 |
2.580 |
34.238 |
1.00 |
10.32 |
A |
ATOM |
5037 |
CA |
GLU |
A |
16 |
3.546 |
3.771 |
35.087 |
1.00 |
9.76 |
A |
ATOM |
5038 |
CB |
GLU |
A |
16 |
4.748 |
3.677 |
36.036 |
1.00 |
9.29 |
A |
ATOM |
5039 |
CG |
GLU |
A |
16 |
4.648 |
4.565 |
37.277 |
1.00 |
8.91 |
A |
ATOM |
5040 |
CD |
GLU |
A |
16 |
3.485 |
4.192 |
38.189 |
1.00 |
8.41 |
A |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
2.858 |
3.134 |
37.983 |
1.00 |
8.43 |
A |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
3.199 |
4.960 |
39.125 |
1.00 |
8.51 |
A |
ATOM |
5043 |
C |
GLU |
A |
16 |
3.590 |
5.084 |
34.303 |
1.00 |
9.64 |
A |
ATOM |
5044 |
O |
GLU |
A |
16 |
2.999 |
6.071 |
34.730 |
1.00 |
9.63 |
A |
ATOM |
5045 |
N |
ILE |
A |
17 |
4.287 |
5.096 |
33.166 |
1.00 |
9.45 |
A |
ATOM |
5046 |
CA |
ILE |
A |
17 |
4.377 |
6.312 |
32.368 |
1.00 |
9.29 |
A |
ATOM |
5047 |
CB |
ILE |
A |
17 |
5.333 |
6.139 |
31.150 |
1.00 |
9.25 |
A |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
4.867 |
5.015 |
30.251 |
1.00 |
9.64 |
A |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
5.413 |
7.442 |
30.358 |
1.00 |
9.55 |
A |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
5.988 |
8.596 |
31.168 |
1.00 |
9.78 |
A |
ATOM |
5051 |
C |
ILE |
A |
17 |
2.984 |
6.717 |
31.892 |
1.00 |
9.19 |
A |
ATOM |
5052 |
O |
ILE |
A |
17 |
2.648 |
7.897 |
31.845 |
1.00 |
8.98 |
A |
ATOM |
5242 |
N |
TRP |
A |
39 |
−2.591 |
−14.181 |
33.457 |
1.00 |
37.71 |
A |
ATOM |
5243 |
CA |
TRP |
A |
39 |
−1.830 |
−13.655 |
32.329 |
1.00 |
37.46 |
A |
ATOM |
5244 |
CB |
TRP |
A |
39 |
−0.376 |
−13.394 |
32.737 |
1.00 |
37.38 |
A |
ATOM |
5245 |
CG |
TRP |
A |
39 |
0.495 |
−12.956 |
31.594 |
1.00 |
37.31 |
A |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
0.174 |
−11.987 |
30.583 |
1.00 |
37.22 |
A |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
1.277 |
−11.918 |
29.704 |
1.00 |
37.19 |
A |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
−0.940 |
−11.171 |
30.336 |
1.00 |
37.22 |
A |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
1.745 |
−13.416 |
31.295 |
1.00 |
37.27 |
A |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
2.220 |
−12.801 |
30.160 |
1.00 |
37.23 |
A |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
1.300 |
−11.068 |
28.594 |
1.00 |
37.19 |
A |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
−0.916 |
−10.323 |
29.230 |
1.00 |
37.17 |
A |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
0.198 |
−10.281 |
28.374 |
1.00 |
37.16 |
A |
ATOM |
5254 |
C |
TRP |
A |
39 |
−1.866 |
−14.602 |
31.124 |
1.00 |
37.40 |
A |
ATOM |
5255 |
O |
TRP |
A |
39 |
−2.138 |
−14.177 |
30.003 |
1.00 |
37.29 |
A |
ATOM |
5256 |
N |
PRO |
A |
40 |
−1.597 |
−15.901 |
31.342 |
1.00 |
37.35 |
A |
ATOM |
5257 |
CD |
PRO |
A |
40 |
−1.235 |
−16.548 |
32.616 |
1.00 |
37.43 |
A |
ATOM |
5258 |
CA |
PRO |
A |
40 |
−1.605 |
−16.881 |
30.251 |
1.00 |
37.26 |
A |
ATOM |
5259 |
CB |
PRO |
A |
40 |
−1.489 |
−18.212 |
30.987 |
1.00 |
37.31 |
A |
ATOM |
5260 |
CG |
PRO |
A |
40 |
−0.618 |
−17.854 |
32.153 |
1.00 |
37.40 |
A |
ATOM |
5261 |
C |
PRO |
A |
40 |
−2.843 |
−16.817 |
29.363 |
1.00 |
37.11 |
A |
ATOM |
5262 |
O |
PRO |
A |
40 |
−2.739 |
−16.888 |
28.139 |
1.00 |
37.23 |
A |
ATOM |
5263 |
N |
GLU |
A |
41 |
−4.011 |
−16.677 |
29.981 |
1.00 |
36.89 |
A |
ATOM |
5264 |
CA |
GLU |
A |
41 |
−5.265 |
−16.614 |
29.236 |
1.00 |
36.63 |
A |
ATOM |
5265 |
CB |
GLU |
A |
41 |
−6.457 |
−16.755 |
30.188 |
1.00 |
37.02 |
A |
ATOM |
5266 |
CG |
GLU |
A |
41 |
−7.757 |
−17.156 |
29.501 |
1.00 |
37.64 |
A |
ATOM |
5267 |
CD |
GLU |
A |
41 |
−7.734 |
−18.601 |
29.023 |
1.00 |
38.10 |
A |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
−8.709 |
−19.033 |
28.364 |
1.00 |
38.32 |
A |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
−6.741 |
−19.307 |
29.311 |
1.00 |
38.26 |
A |
ATOM |
5270 |
C |
GLU |
A |
41 |
−5.381 |
−15.297 |
28.474 |
1.00 |
36.10 |
A |
ATOM |
5271 |
O |
GLU |
A |
41 |
−5.703 |
−15.281 |
27.285 |
1.00 |
36.26 |
A |
ATOM |
5272 |
N |
ILE |
A |
42 |
−5.120 |
−14.194 |
29.166 |
1.00 |
35.28 |
A |
ATOM |
5273 |
CA |
ILE |
A |
42 |
−5.204 |
−12.874 |
28.553 |
1.00 |
34.47 |
A |
ATOM |
5274 |
CB |
ILE |
A |
42 |
−4.980 |
−11.773 |
29.597 |
1.00 |
34.57 |
A |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
−5.152 |
−10.406 |
28.953 |
1.00 |
34.48 |
A |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
−5.968 |
−11.952 |
30.750 |
1.00 |
34.54 |
A |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
−5.687 |
−11.076 |
31.944 |
1.00 |
34.74 |
A |
ATOM |
5278 |
C |
ILE |
A |
42 |
−4.173 |
−12.715 |
27.441 |
1.00 |
33.83 |
A |
ATOM |
5279 |
O |
ILE |
A |
42 |
−4.466 |
−12.161 |
26.384 |
1.00 |
33.69 |
A |
ATOM |
5280 |
N |
LYS |
A |
43 |
−2.968 |
−13.213 |
27.691 |
1.00 |
33.07 |
A |
ATOM |
5281 |
CA |
LYS |
A |
43 |
−1.879 |
−13.133 |
26.729 |
1.00 |
32.30 |
A |
ATOM |
5282 |
CB |
LYS |
A |
43 |
−0.664 |
−13.899 |
27.258 |
1.00 |
32.18 |
A |
ATOM |
5283 |
CG |
LYS |
A |
43 |
0.536 |
−13.883 |
26.324 |
1.00 |
32.18 |
A |
ATOM |
5284 |
CD |
LYS |
A |
43 |
1.622 |
−14.833 |
26.798 |
1.00 |
32.02 |
A |
ATOM |
5285 |
CE |
LYS |
A |
43 |
2.795 |
−14.865 |
25.831 |
1.00 |
31.99 |
A |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
3.484 |
−13.542 |
25.723 |
1.00 |
31.70 |
A |
ATOM |
5287 |
C |
LYS |
A |
43 |
−2.267 |
−13.674 |
25.354 |
1.00 |
31.74 |
A |
ATOM |
5288 |
O |
LYS |
A |
43 |
−2.038 |
−13.022 |
24.333 |
1.00 |
31.67 |
A |
ATOM |
5328 |
N |
GLY |
A |
49 |
0.717 |
−10.483 |
22.236 |
1.00 |
21.45 |
A |
ATOM |
5329 |
CA |
GLY |
A |
49 |
0.900 |
−11.142 |
23.516 |
1.00 |
20.85 |
A |
ATOM |
5330 |
C |
GLY |
A |
49 |
1.735 |
−10.433 |
24.567 |
1.00 |
20.53 |
A |
ATOM |
5331 |
O |
GLY |
A |
49 |
2.506 |
−11.072 |
25.276 |
1.00 |
20.53 |
A |
ATOM |
5332 |
N |
LYS |
A |
50 |
1.590 |
−9.120 |
24.688 |
1.00 |
20.06 |
A |
ATOM |
5333 |
CA |
LYS |
A |
50 |
2.354 |
−8.390 |
25.686 |
1.00 |
19.66 |
A |
ATOM |
5334 |
CB |
LYS |
A |
50 |
3.683 |
−7.916 |
25.085 |
1.00 |
19.97 |
A |
ATOM |
5335 |
CG |
LYS |
A |
50 |
4.636 |
−9.061 |
24.812 |
1.00 |
20.63 |
A |
ATOM |
5336 |
CD |
LYS |
A |
50 |
5.846 |
−8.644 |
24.024 |
1.00 |
21.03 |
A |
ATOM |
5337 |
CE |
LYS |
A |
50 |
6.699 |
−9.864 |
23.706 |
1.00 |
21.10 |
A |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
5.873 |
−10.927 |
23.044 |
1.00 |
21.21 |
A |
ATOM |
5339 |
C |
LYS |
A |
50 |
1.601 |
−7.206 |
26.271 |
1.00 |
19.21 |
A |
ATOM |
5340 |
O |
LYS |
A |
50 |
0.713 |
−6.633 |
25.636 |
1.00 |
18.74 |
A |
ATOM |
5341 |
N |
ILE |
A |
51 |
1.963 |
−6.852 |
27.497 |
1.00 |
18.42 |
A |
ATOM |
5342 |
CA |
ILE |
A |
51 |
1.354 |
−5.720 |
28.162 |
1.00 |
18.05 |
A |
ATOM |
5343 |
CB |
ILE |
A |
51 |
0.574 |
−6.149 |
29.414 |
1.00 |
18.14 |
A |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
−0.755 |
−6.739 |
29.010 |
1.00 |
17.97 |
A |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
1.404 |
−7.128 |
30.246 |
1.00 |
18.34 |
A |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
0.681 |
−7.613 |
31.494 |
1.00 |
18.26 |
A |
ATOM |
5347 |
C |
ILE |
A |
51 |
2.424 |
−4.699 |
28.538 |
1.00 |
17.67 |
A |
ATOM |
5348 |
O |
ILE |
A |
51 |
3.618 |
−5.012 |
28.572 |
1.00 |
17.72 |
A |
ATOM |
5349 |
N |
PRO |
A |
52 |
2.002 |
−3.473 |
28.874 |
1.00 |
17.15 |
A |
ATOM |
5350 |
CD |
PRO |
A |
52 |
2.906 |
−2.369 |
29.239 |
1.00 |
17.33 |
A |
ATOM |
5351 |
CA |
PRO |
A |
52 |
0.610 |
−3.021 |
28.909 |
1.00 |
16.82 |
A |
ATOM |
5352 |
CB |
PRO |
A |
52 |
0.703 |
−1.736 |
29.713 |
1.00 |
16.81 |
A |
ATOM |
5353 |
CG |
PRO |
A |
52 |
1.968 |
−1.159 |
29.205 |
1.00 |
16.96 |
A |
ATOM |
5354 |
C |
PRO |
A |
52 |
−0.093 |
−2.777 |
27.584 |
1.00 |
16.60 |
A |
ATOM |
5355 |
O |
PRO |
A |
52 |
0.526 |
−2.674 |
26.526 |
1.00 |
16.29 |
A |
ATOM |
5356 |
N |
ILE |
A |
53 |
−1.411 |
−2.678 |
27.672 |
1.00 |
16.36 |
A |
ATOM |
5357 |
CA |
ILE |
A |
53 |
−2.233 |
−2.361 |
26.522 |
1.00 |
16.17 |
A |
ATOM |
5358 |
CB |
ILE |
A |
53 |
−2.992 |
−3.587 |
25.980 |
1.00 |
16.14 |
A |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
−2.000 |
−4.620 |
25.440 |
1.00 |
16.39 |
A |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
−3.875 |
−4.184 |
27.071 |
1.00 |
16.34 |
A |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
−4.859 |
−5.218 |
26.544 |
1.00 |
16.22 |
A |
ATOM |
5362 |
C |
ILE |
A |
53 |
−3.235 |
−1.325 |
27.015 |
1.00 |
15.98 |
A |
ATOM |
5363 |
O |
ILE |
A |
53 |
−3.563 |
−1.277 |
28.202 |
1.00 |
15.70 |
A |
ATOM |
5423 |
N |
HIS |
A |
62 |
−1.249 |
−1.093 |
22.011 |
1.00 |
11.78 |
A |
ATOM |
5424 |
CA |
HIS |
A |
62 |
−0.158 |
−1.730 |
22.757 |
1.00 |
11.13 |
A |
ATOM |
5425 |
CB |
HIS |
A |
62 |
0.120 |
−3.150 |
22.240 |
1.00 |
11.01 |
A |
ATOM |
5426 |
CG |
HIS |
A |
62 |
0.673 |
−3.202 |
20.848 |
1.00 |
10.84 |
A |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
1.903 |
−3.533 |
20.392 |
1.00 |
10.56 |
A |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
−0.087 |
−2.926 |
19.732 |
1.00 |
10.84 |
A |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
0.650 |
−3.090 |
18.648 |
1.00 |
10.55 |
A |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
1.861 |
−3.458 |
19.021 |
1.00 |
10.75 |
A |
ATOM |
5431 |
C |
HIS |
A |
62 |
1.112 |
−0.882 |
22.665 |
1.00 |
10.62 |
A |
ATOM |
5432 |
O |
HIS |
A |
62 |
1.118 |
0.155 |
21.996 |
1.00 |
10.80 |
A |
ATOM |
5433 |
N |
GLN |
A |
63 |
2.176 |
−1.337 |
23.332 |
1.00 |
10.07 |
A |
ATOM |
5434 |
CA |
GLN |
A |
63 |
3.465 |
−0.641 |
23.377 |
1.00 |
9.39 |
A |
ATOM |
5435 |
CB |
GLN |
A |
63 |
3.957 |
−0.289 |
21.969 |
1.00 |
9.20 |
A |
ATOM |
5436 |
CG |
GLN |
A |
63 |
4.702 |
−1.417 |
21.248 |
1.00 |
8.99 |
A |
ATOM |
5437 |
CD |
GLN |
A |
63 |
5.911 |
−1.932 |
22.027 |
1.00 |
8.95 |
A |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
6.481 |
−1.220 |
22.858 |
1.00 |
8.52 |
A |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
6.315 |
−3.165 |
21.745 |
1.00 |
8.76 |
A |
ATOM |
5440 |
C |
GLN |
A |
63 |
3.324 |
0.618 |
24.223 |
1.00 |
8.90 |
A |
ATOM |
5441 |
O |
GLN |
A |
63 |
2.781 |
1.629 |
23.769 |
1.00 |
9.08 |
A |
ATOM |
5442 |
N |
SER |
A |
64 |
3.830 |
0.554 |
25.452 |
1.00 |
8.48 |
A |
ATOM |
5443 |
CA |
SER |
A |
64 |
3.708 |
1.668 |
26.396 |
1.00 |
8.06 |
A |
ATOM |
5444 |
CB |
SER |
A |
64 |
4.440 |
1.342 |
27.706 |
1.00 |
7.67 |
A |
ATOM |
5445 |
OG |
SER |
A |
64 |
5.839 |
1.246 |
27.528 |
1.00 |
8.18 |
A |
ATOM |
5446 |
C |
SER |
A |
64 |
4.143 |
3.045 |
25.902 |
1.00 |
7.75 |
A |
ATOM |
5447 |
O |
SER |
A |
64 |
3.447 |
4.032 |
26.141 |
1.00 |
7.74 |
A |
ATOM |
5448 |
N |
LEU |
A |
65 |
5.284 |
3.126 |
25.225 |
1.00 |
7.75 |
A |
ATOM |
5449 |
CA |
LEU |
A |
65 |
5.754 |
4.424 |
24.752 |
1.00 |
7.47 |
A |
ATOM |
5450 |
CB |
LEU |
A |
65 |
7.224 |
4.346 |
24.359 |
1.00 |
7.66 |
A |
ATOM |
5451 |
CG |
LEU |
A |
65 |
8.162 |
3.849 |
25.461 |
1.00 |
7.74 |
A |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
9.591 |
4.192 |
25.062 |
1.00 |
7.25 |
A |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
7.820 |
4.516 |
26.812 |
1.00 |
7.33 |
A |
ATOM |
5454 |
C |
LEU |
A |
65 |
4.928 |
4.945 |
23.586 |
1.00 |
7.33 |
A |
ATOM |
5455 |
O |
LEU |
A |
65 |
4.768 |
6.151 |
23.426 |
1.00 |
7.33 |
A |
ATOM |
5662 |
N |
ASP |
A |
93 |
13.523 |
7.274 |
24.597 |
1.00 |
7.43 |
A |
ATOM |
5663 |
CA |
ASP |
A |
93 |
14.133 |
6.074 |
24.039 |
1.00 |
7.59 |
A |
ATOM |
5664 |
CB |
ASP |
A |
93 |
14.267 |
6.190 |
22.520 |
1.00 |
7.58 |
A |
ATOM |
5665 |
CG |
ASP |
A |
93 |
12.964 |
5.867 |
21.793 |
1.00 |
7.82 |
A |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
12.977 |
5.837 |
20.550 |
1.00 |
8.49 |
A |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
11.937 |
5.640 |
22.466 |
1.00 |
7.73 |
A |
ATOM |
5668 |
C |
ASP |
A |
93 |
15.494 |
5.763 |
24.674 |
1.00 |
7.65 |
A |
ATOM |
5669 |
O |
ASP |
A |
93 |
15.839 |
4.597 |
24.858 |
1.00 |
8.00 |
A |
ATOM |
5670 |
N |
THR |
A |
94 |
16.259 |
6.800 |
25.009 |
1.00 |
7.91 |
A |
ATOM |
5671 |
CA |
THR |
A |
94 |
17.561 |
6.608 |
25.646 |
1.00 |
8.08 |
A |
ATOM |
5672 |
CB |
THR |
A |
94 |
18.281 |
7.963 |
25.879 |
1.00 |
8.13 |
A |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
18.619 |
8.547 |
24.617 |
1.00 |
8.31 |
A |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
19.557 |
7.772 |
26.701 |
1.00 |
8.08 |
A |
ATOM |
5675 |
C |
THR |
A |
94 |
17.361 |
5.905 |
26.993 |
1.00 |
8.54 |
A |
ATOM |
5676 |
O |
THR |
A |
94 |
18.046 |
4.925 |
27.308 |
1.00 |
8.42 |
A |
ATOM |
5677 |
N |
LEU |
A |
95 |
16.424 |
6.410 |
27.788 |
1.00 |
8.76 |
A |
ATOM |
5678 |
CA |
LEU |
A |
95 |
16.137 |
5.804 |
29.079 |
1.00 |
9.53 |
A |
ATOM |
5679 |
CB |
LEU |
A |
95 |
15.107 |
6.642 |
29.851 |
1.00 |
9.33 |
A |
ATOM |
5680 |
CG |
LEU |
A |
95 |
15.647 |
7.972 |
30.383 |
1.00 |
9.50 |
A |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
14.517 |
8.827 |
30.949 |
1.00 |
9.22 |
A |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
16.694 |
7.684 |
31.453 |
1.00 |
9.41 |
A |
ATOM |
5683 |
C |
LEU |
A |
95 |
15.618 |
4.377 |
28.879 |
1.00 |
9.79 |
A |
ATOM |
5684 |
O |
LEU |
A |
95 |
16.055 |
3.460 |
29.566 |
1.00 |
9.96 |
A |
ATOM |
5685 |
N |
ASP |
A |
96 |
14.709 |
4.200 |
27.920 |
1.00 |
10.44 |
A |
ATOM |
5686 |
CA |
ASP |
A |
96 |
14.123 |
2.896 |
27.626 |
1.00 |
11.05 |
A |
ATOM |
5687 |
CB |
ASP |
A |
96 |
13.062 |
3.027 |
26.529 |
1.00 |
11.36 |
A |
ATOM |
5688 |
CG |
ASP |
A |
96 |
12.107 |
1.841 |
26.499 |
1.00 |
11.78 |
A |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
11.640 |
1.431 |
27.579 |
1.00 |
12.41 |
A |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
11.806 |
1.334 |
25.409 |
1.00 |
12.03 |
A |
ATOM |
5691 |
C |
ASP |
A |
96 |
15.182 |
1.876 |
27.201 |
1.00 |
11.34 |
A |
ATOM |
5692 |
O |
ASP |
A |
96 |
15.169 |
0.734 |
27.650 |
1.00 |
11.33 |
A |
ATOM |
5693 |
N |
ASP |
A |
97 |
16.092 |
2.294 |
26.329 |
1.00 |
11.73 |
A |
ATOM |
5694 |
CA |
ASP |
A |
97 |
17.154 |
1.412 |
25.875 |
1.00 |
12.14 |
A |
ATOM |
5695 |
CB |
ASP |
A |
97 |
18.136 |
2.154 |
24.963 |
1.00 |
11.82 |
A |
ATOM |
5696 |
CG |
ASP |
A |
97 |
17.599 |
2.373 |
23.544 |
1.00 |
11.92 |
A |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
18.280 |
3.083 |
22.784 |
1.00 |
11.78 |
A |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
16.524 |
1.840 |
23.187 |
1.00 |
11.79 |
A |
ATOM |
5699 |
C |
ASP |
A |
97 |
17.924 |
0.865 |
27.084 |
1.00 |
12.59 |
A |
ATOM |
5700 |
O |
ASP |
A |
97 |
18.228 |
−0.326 |
27.150 |
1.00 |
12.62 |
A |
ATOM |
5701 |
N |
PHE |
A |
98 |
18.242 |
1.731 |
28.041 |
1.00 |
13.02 |
A |
ATOM |
5702 |
CA |
PHE |
A |
98 |
18.992 |
1.296 |
29.219 |
1.00 |
13.80 |
A |
ATOM |
5703 |
CB |
PHE |
A |
98 |
19.449 |
2.500 |
30.047 |
1.00 |
13.80 |
A |
ATOM |
5704 |
CG |
PHE |
A |
98 |
20.332 |
2.127 |
31.203 |
1.00 |
14.07 |
A |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
21.550 |
1.488 |
30.990 |
1.00 |
14.20 |
A |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
19.937 |
2.391 |
32.507 |
1.00 |
14.15 |
A |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
22.358 |
1.115 |
32.064 |
1.00 |
14.32 |
A |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
20.736 |
2.022 |
33.583 |
1.00 |
14.28 |
A |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
21.948 |
1.384 |
33.361 |
1.00 |
14.12 |
A |
ATOM |
5710 |
C |
PHE |
A |
98 |
18.209 |
0.335 |
30.112 |
1.00 |
14.33 |
A |
ATOM |
5711 |
O |
PHE |
A |
98 |
18.705 |
−0.739 |
30.467 |
1.00 |
14.62 |
A |
ATOM |
5712 |
N |
MET |
A |
99 |
16.992 |
0.722 |
30.482 |
1.00 |
14.73 |
A |
ATOM |
5713 |
CA |
MET |
A |
99 |
16.158 |
−0.120 |
31.329 |
1.00 |
15.34 |
A |
ATOM |
5714 |
CB |
MET |
A |
99 |
14.798 |
0.546 |
31.574 |
1.00 |
15.08 |
A |
ATOM |
5715 |
CG |
MET |
A |
99 |
14.878 |
1.932 |
32.202 |
1.00 |
14.94 |
A |
ATOM |
5716 |
SD |
MET |
A |
99 |
15.699 |
1.910 |
33.803 |
1.00 |
14.67 |
A |
ATOM |
5717 |
CE |
MET |
A |
99 |
14.395 |
1.275 |
34.807 |
1.00 |
14.69 |
A |
ATOM |
5718 |
C |
MET |
A |
99 |
15.938 |
−1.489 |
30.691 |
1.00 |
16.11 |
A |
ATOM |
5719 |
O |
MET |
A |
99 |
15.882 |
−2.504 |
31.387 |
1.00 |
15.98 |
A |
ATOM |
5720 |
N |
SER |
A |
100 |
15.811 |
−1.516 |
29.366 |
1.00 |
16.74 |
A |
ATOM |
5721 |
CA |
SER |
A |
100 |
15.576 |
−2.767 |
28.656 |
1.00 |
17.44 |
A |
ATOM |
5722 |
CB |
SER |
A |
100 |
15.116 |
−2.479 |
27.225 |
1.00 |
17.47 |
A |
ATOM |
5723 |
OG |
SER |
A |
100 |
13.823 |
−1.884 |
27.234 |
1.00 |
17.51 |
A |
ATOM |
5724 |
C |
SER |
A |
100 |
16.797 |
−3.681 |
28.656 |
1.00 |
18.04 |
A |
ATOM |
5725 |
O |
SER |
A |
100 |
16.674 |
−4.888 |
28.436 |
1.00 |
18.07 |
A |
ATOM |
5726 |
N |
CYS |
A |
101 |
17.972 |
−3.111 |
28.912 |
1.00 |
18.65 |
A |
ATOM |
5727 |
CA |
CYS |
A |
101 |
19.196 |
−3.905 |
28.964 |
1.00 |
19.36 |
A |
ATOM |
5728 |
CB |
CYS |
A |
101 |
20.428 |
−3.006 |
29.108 |
1.00 |
19.22 |
A |
ATOM |
5729 |
SG |
CYS |
A |
101 |
20.898 |
−2.082 |
27.630 |
1.00 |
20.13 |
A |
ATOM |
5730 |
C |
CYS |
A |
101 |
19.167 |
−4.889 |
30.134 |
1.00 |
19.75 |
A |
ATOM |
5731 |
O |
CYS |
A |
101 |
19.772 |
−5.950 |
30.059 |
1.00 |
19.91 |
A |
ATOM |
5732 |
N |
PHE |
A |
102 |
18.482 |
−4.533 |
31.218 |
1.00 |
20.31 |
A |
ATOM |
5733 |
CA |
PHE |
A |
102 |
18.410 |
−5.420 |
32.376 |
1.00 |
21.09 |
A |
ATOM |
5734 |
CB |
PHE |
A |
102 |
17.826 |
−4.693 |
33.594 |
1.00 |
20.83 |
A |
ATOM |
5735 |
CG |
PHE |
A |
102 |
18.672 |
−3.551 |
34.087 |
1.00 |
20.72 |
A |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
18.775 |
−2.376 |
33.344 |
1.00 |
20.56 |
A |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
19.374 |
−3.652 |
35.290 |
1.00 |
20.64 |
A |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
19.565 |
−1.313 |
33.788 |
1.00 |
20.64 |
A |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
20.170 |
−2.597 |
35.750 |
1.00 |
20.52 |
A |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
20.267 |
−1.423 |
34.996 |
1.00 |
20.66 |
A |
ATOM |
5741 |
C |
PHE |
A |
102 |
17.554 |
−6.645 |
32.060 |
1.00 |
21.79 |
A |
ATOM |
5742 |
O |
PHE |
A |
102 |
16.490 |
−6.525 |
31.456 |
1.00 |
21.62 |
A |
ATOM |
5743 |
N |
PRO |
A |
103 |
18.024 |
−7.844 |
32.450 |
1.00 |
22.58 |
A |
ATOM |
5744 |
CD |
PRO |
A |
103 |
19.392 |
−8.117 |
32.928 |
1.00 |
22.84 |
A |
ATOM |
5745 |
CA |
PRO |
A |
103 |
17.297 |
−9.098 |
32.211 |
1.00 |
23.41 |
A |
ATOM |
5746 |
CB |
PRO |
A |
103 |
18.415 |
−10.133 |
32.185 |
1.00 |
23.19 |
A |
ATOM |
5747 |
CG |
PRO |
A |
103 |
19.353 |
−9.611 |
33.222 |
1.00 |
23.10 |
A |
ATOM |
5748 |
C |
PRO |
A |
103 |
16.272 |
−9.366 |
33.321 |
1.00 |
24.25 |
A |
ATOM |
5749 |
O |
PRO |
A |
103 |
16.459 |
−10.248 |
34.160 |
1.00 |
24.19 |
A |
ATOM |
5750 |
N |
TRP |
A |
104 |
15.191 |
−8.594 |
33.313 |
1.00 |
25.16 |
A |
ATOM |
5751 |
CA |
TRP |
A |
104 |
14.142 |
−8.722 |
34.313 |
1.00 |
26.25 |
A |
ATOM |
5752 |
CB |
TRP |
A |
104 |
13.049 |
−7.673 |
34.072 |
1.00 |
25.95 |
A |
ATOM |
5753 |
CG |
TRP |
A |
104 |
13.551 |
−6.261 |
33.946 |
1.00 |
25.64 |
A |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
13.907 |
−5.375 |
35.016 |
1.00 |
25.47 |
A |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
14.332 |
−4.162 |
34.429 |
1.00 |
25.40 |
A |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
13.909 |
−5.488 |
36.412 |
1.00 |
25.27 |
A |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
13.770 |
−5.568 |
32.788 |
1.00 |
25.58 |
A |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
14.237 |
−4.307 |
33.070 |
1.00 |
25.45 |
A |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
14.757 |
−3.067 |
35.193 |
1.00 |
25.38 |
A |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
14.331 |
−4.398 |
37.173 |
1.00 |
25.16 |
A |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
14.749 |
−3.205 |
36.560 |
1.00 |
25.21 |
A |
ATOM |
5762 |
C |
TRP |
A |
104 |
13.511 |
−10.115 |
34.334 |
1.00 |
27.21 |
A |
ATOM |
5763 |
O |
TRP |
A |
104 |
13.078 |
−10.597 |
35.383 |
1.00 |
27.22 |
A |
ATOM |
5764 |
N |
ALA |
A |
105 |
13.472 |
−10.763 |
33.175 |
1.00 |
28.32 |
A |
ATOM |
5765 |
CA |
ALA |
A |
105 |
12.872 |
−12.087 |
33.058 |
1.00 |
29.49 |
A |
ATOM |
5766 |
CB |
ALA |
A |
105 |
12.207 |
−12.226 |
31.697 |
1.00 |
29.48 |
A |
ATOM |
5767 |
C |
ALA |
A |
105 |
13.853 |
−13.233 |
33.270 |
1.00 |
30.44 |
A |
ATOM |
5768 |
O |
ALA |
A |
105 |
13.445 |
−14.391 |
33.354 |
1.00 |
30.58 |
A |
ATOM |
5769 |
N |
GLU |
A |
106 |
15.140 |
−12.917 |
33.369 |
1.00 |
31.43 |
A |
ATOM |
5770 |
CA |
GLU |
A |
106 |
16.147 |
−13.954 |
33.552 |
1.00 |
32.55 |
A |
ATOM |
5771 |
CB |
GLU |
A |
106 |
17.545 |
−13.338 |
33.620 |
1.00 |
32.51 |
A |
ATOM |
5772 |
CG |
GLU |
A |
106 |
18.634 |
−14.386 |
33.634 |
1.00 |
32.51 |
A |
ATOM |
5773 |
CD |
GLU |
A |
106 |
18.498 |
−15.352 |
32.472 |
1.00 |
32.54 |
A |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
18.761 |
−16.555 |
32.662 |
1.00 |
32.34 |
A |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
18.129 |
−14.905 |
31.365 |
1.00 |
32.59 |
A |
ATOM |
5776 |
C |
GLU |
A |
106 |
15.913 |
−14.809 |
34.791 |
1.00 |
33.37 |
A |
ATOM |
5777 |
O |
GLU |
A |
106 |
15.830 |
−14.294 |
35.908 |
1.00 |
33.46 |
A |
ATOM |
5778 |
N |
LYS |
A |
107 |
15.813 |
−16.121 |
34.588 |
1.00 |
34.40 |
A |
ATOM |
5779 |
CA |
LYS |
A |
107 |
15.592 |
−17.048 |
35.695 |
1.00 |
35.40 |
A |
ATOM |
5780 |
CB |
LYS |
A |
107 |
14.830 |
−18.287 |
35.212 |
1.00 |
35.45 |
A |
ATOM |
5781 |
CG |
LYS |
A |
107 |
13.486 |
−17.992 |
34.553 |
1.00 |
35.72 |
A |
ATOM |
5782 |
CD |
LYS |
A |
107 |
12.523 |
−17.293 |
35.497 |
1.00 |
35.84 |
A |
ATOM |
5783 |
CE |
LYS |
A |
107 |
12.103 |
−18.197 |
36.639 |
1.00 |
36.12 |
A |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
11.273 |
−17.459 |
37.636 |
1.00 |
36.20 |
A |
ATOM |
5785 |
C |
LYS |
A |
107 |
16.915 |
−17.471 |
36.336 |
1.00 |
36.00 |
A |
ATOM |
5786 |
O |
LYS |
A |
107 |
16.947 |
−17.902 |
37.490 |
1.00 |
36.10 |
A |
ATOM |
5787 |
N |
LYS |
A |
108 |
18.003 |
−17.346 |
35.584 |
1.00 |
36.66 |
A |
ATOM |
5788 |
CA |
LYS |
A |
108 |
19.325 |
−17.698 |
36.088 |
1.00 |
37.40 |
A |
ATOM |
5789 |
CB |
LYS |
A |
108 |
20.295 |
−17.894 |
34.923 |
1.00 |
37.54 |
A |
ATOM |
5790 |
CG |
LYS |
A |
108 |
19.855 |
−18.959 |
33.941 |
1.00 |
37.73 |
A |
ATOM |
5791 |
CD |
LYS |
A |
108 |
20.783 |
−19.026 |
32.748 |
1.00 |
37.95 |
A |
ATOM |
5792 |
CE |
LYS |
A |
108 |
20.335 |
−20.101 |
31.781 |
1.00 |
38.07 |
A |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
21.226 |
−20.180 |
30.593 |
1.00 |
38.35 |
A |
ATOM |
5794 |
C |
LYS |
A |
108 |
19.824 |
−16.576 |
36.992 |
1.00 |
37.85 |
A |
ATOM |
5795 |
O |
LYS |
A |
108 |
20.361 |
−15.575 |
36.514 |
1.00 |
37.87 |
A |
ATOM |
5796 |
N |
GLN |
A |
109 |
19.650 |
−16.751 |
38.298 |
1.00 |
38.38 |
A |
ATOM |
5797 |
CA |
GLN |
A |
109 |
20.057 |
−15.742 |
39.274 |
1.00 |
38.89 |
A |
ATOM |
5798 |
CB |
GLN |
A |
109 |
19.893 |
−16.287 |
40.696 |
1.00 |
39.27 |
A |
ATOM |
5799 |
CG |
GLN |
A |
109 |
19.103 |
−15.372 |
41.621 |
1.00 |
39.77 |
A |
ATOM |
5800 |
CD |
GLN |
A |
109 |
17.631 |
−15.280 |
41.236 |
1.00 |
40.04 |
A |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
16.878 |
−14.472 |
41.791 |
1.00 |
40.13 |
A |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
17.214 |
−16.116 |
40.287 |
1.00 |
40.11 |
A |
ATOM |
5803 |
C |
GLN |
A |
109 |
21.491 |
−15.264 |
39.081 |
1.00 |
38.96 |
A |
ATOM |
5804 |
O |
GLN |
A |
109 |
21.755 |
−14.061 |
39.052 |
1.00 |
39.02 |
A |
ATOM |
5805 |
N |
ASP |
A |
110 |
22.413 |
−16.211 |
38.951 |
1.00 |
39.02 |
A |
ATOM |
5806 |
CA |
ASP |
A |
110 |
23.826 |
−15.890 |
38.773 |
1.00 |
39.02 |
A |
ATOM |
5807 |
CB |
ASP |
A |
110 |
24.631 |
−17.178 |
38.608 |
1.00 |
39.32 |
A |
ATOM |
5808 |
CG |
ASP |
A |
110 |
24.226 |
−17.956 |
37.375 |
1.00 |
39.50 |
A |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
23.005 |
−18.097 |
37.141 |
1.00 |
39.58 |
A |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
25.124 |
−18.429 |
36.648 |
1.00 |
39.67 |
A |
ATOM |
5811 |
C |
ASP |
A |
110 |
24.061 |
−14.977 |
37.571 |
1.00 |
38.89 |
A |
ATOM |
5812 |
O |
ASP |
A |
110 |
24.802 |
−13.999 |
37.663 |
1.00 |
38.88 |
A |
ATOM |
5813 |
N |
VAL |
A |
111 |
23.433 |
−15.302 |
36.445 |
1.00 |
38.64 |
A |
ATOM |
5814 |
CA |
VAL |
A |
111 |
23.581 |
−14.507 |
35.231 |
1.00 |
38.36 |
A |
ATOM |
5815 |
CB |
VAL |
A |
111 |
23.054 |
−15.270 |
34.001 |
1.00 |
38.38 |
A |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
23.198 |
−14.412 |
32.753 |
1.00 |
38.34 |
A |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
23.812 |
−16.573 |
33.842 |
1.00 |
38.44 |
A |
ATOM |
5818 |
C |
VAL |
A |
111 |
22.829 |
−13.183 |
35.349 |
1.00 |
38.10 |
A |
ATOM |
5819 |
O |
VAL |
A |
111 |
23.297 |
−12.145 |
34.880 |
1.00 |
37.99 |
A |
ATOM |
5820 |
N |
LYS |
A |
112 |
21.663 |
−13.229 |
35.980 |
1.00 |
37.84 |
A |
ATOM |
5821 |
CA |
LYS |
A |
112 |
20.851 |
−12.036 |
36.163 |
1.00 |
37.63 |
A |
ATOM |
5822 |
CB |
LYS |
A |
112 |
19.477 |
−12.414 |
36.719 |
1.00 |
37.62 |
A |
ATOM |
5823 |
CG |
LYS |
A |
112 |
18.545 |
−11.233 |
36.904 |
1.00 |
37.60 |
A |
ATOM |
5824 |
CD |
LYS |
A |
112 |
17.185 |
−11.663 |
37.410 |
1.00 |
37.64 |
A |
ATOM |
5825 |
CE |
LYS |
A |
112 |
16.284 |
−10.457 |
37.615 |
1.00 |
37.70 |
A |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
14.951 |
−10.845 |
38.142 |
1.00 |
37.88 |
A |
ATOM |
5827 |
C |
LYS |
A |
112 |
21.538 |
−11.050 |
37.105 |
1.00 |
37.48 |
A |
ATOM |
5828 |
O |
LYS |
A |
112 |
21.554 |
−9.846 |
36.850 |
1.00 |
37.36 |
A |
ATOM |
5829 |
N |
GLU |
A |
113 |
22.112 |
−11.565 |
38.189 |
1.00 |
37.26 |
A |
ATOM |
5830 |
CA |
GLU |
A |
113 |
22.796 |
−10.723 |
39.166 |
1.00 |
37.10 |
A |
ATOM |
5831 |
CB |
GLU |
A |
113 |
23.143 |
−11.537 |
40.420 |
1.00 |
37.36 |
A |
ATOM |
5832 |
CG |
GLU |
A |
113 |
23.579 |
−10.692 |
41.622 |
1.00 |
37.69 |
A |
ATOM |
5833 |
CD |
GLU |
A |
113 |
22.449 |
−9.851 |
42.207 |
1.00 |
37.86 |
A |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
22.711 |
−9.076 |
43.157 |
1.00 |
37.95 |
A |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
21.301 |
−9.970 |
41.723 |
1.00 |
37.89 |
A |
ATOM |
5836 |
C |
GLU |
A |
113 |
24.070 |
−10.117 |
38.573 |
1.00 |
36.80 |
A |
ATOM |
5837 |
O |
GLU |
A |
113 |
24.378 |
−8.949 |
38.808 |
1.00 |
36.69 |
A |
ATOM |
5838 |
N |
GLN |
A |
114 |
24.804 |
−10.914 |
37.803 |
1.00 |
36.47 |
A |
ATOM |
5839 |
CA |
GLN |
A |
114 |
26.037 |
−10.448 |
37.181 |
1.00 |
36.17 |
A |
ATOM |
5840 |
CB |
GLN |
A |
114 |
26.775 |
−11.622 |
36.527 |
1.00 |
36.48 |
A |
ATOM |
5841 |
CG |
GLN |
A |
114 |
27.387 |
−12.597 |
37.525 |
1.00 |
37.03 |
A |
ATOM |
5842 |
CD |
GLN |
A |
114 |
27.971 |
−13.841 |
36.869 |
1.00 |
37.38 |
A |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
28.847 |
−13.752 |
36.005 |
1.00 |
37.53 |
A |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
27.487 |
−15.012 |
37.282 |
1.00 |
37.45 |
A |
ATOM |
5845 |
C |
GLN |
A |
114 |
25.768 |
−9.359 |
36.148 |
1.00 |
35.76 |
A |
ATOM |
5846 |
O |
GLN |
A |
114 |
26.582 |
−8.452 |
35.963 |
1.00 |
35.71 |
A |
ATOM |
5847 |
N |
MET |
A |
115 |
24.622 |
−9.447 |
35.481 |
1.00 |
35.26 |
A |
ATOM |
5848 |
CA |
MET |
A |
115 |
24.253 |
−8.459 |
34.474 |
1.00 |
34.74 |
A |
ATOM |
5849 |
CB |
MET |
A |
115 |
23.147 |
−9.006 |
33.573 |
1.00 |
35.14 |
A |
ATOM |
5850 |
CG |
MET |
A |
115 |
22.929 |
−8.183 |
32.322 |
1.00 |
35.72 |
A |
ATOM |
5851 |
SD |
MET |
A |
115 |
24.425 |
−8.101 |
31.312 |
1.00 |
36.85 |
A |
ATOM |
5852 |
CE |
MET |
A |
115 |
25.020 |
−6.470 |
31.691 |
1.00 |
36.19 |
A |
ATOM |
5853 |
C |
MET |
A |
115 |
23.792 |
−7.164 |
35.137 |
1.00 |
34.07 |
A |
ATOM |
5854 |
O |
MET |
A |
115 |
24.214 |
−6.079 |
34.745 |
1.00 |
34.00 |
A |
ATOM |
5855 |
N |
PHE |
A |
116 |
22.926 |
−7.280 |
36.140 |
1.00 |
33.41 |
A |
ATOM |
5856 |
CA |
PHE |
A |
116 |
22.437 |
−6.104 |
36.856 |
1.00 |
32.72 |
A |
ATOM |
5857 |
CB |
PHE |
A |
116 |
21.485 |
−6.507 |
37.982 |
1.00 |
32.41 |
A |
ATOM |
5858 |
CG |
PHE |
A |
116 |
20.039 |
−6.520 |
37.583 |
1.00 |
32.03 |
A |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
19.574 |
−7.415 |
36.627 |
1.00 |
31.76 |
A |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
19.140 |
−5.630 |
38.164 |
1.00 |
31.87 |
A |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
18.235 |
−7.426 |
36.257 |
1.00 |
31.75 |
A |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
17.798 |
−5.632 |
37.801 |
1.00 |
31.79 |
A |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
17.343 |
−6.532 |
36.845 |
1.00 |
31.63 |
A |
ATOM |
5864 |
C |
PHE |
A |
116 |
23.618 |
−5.353 |
37.452 |
1.00 |
32.46 |
A |
ATOM |
5865 |
O |
PHE |
A |
116 |
23.775 |
−4.147 |
37.253 |
1.00 |
32.41 |
A |
ATOM |
6152 |
N |
TYR |
A |
152 |
9.234 |
10.144 |
32.617 |
1.00 |
9.71 |
A |
ATOM |
6153 |
CA |
TYR |
A |
152 |
9.916 |
8.878 |
32.397 |
1.00 |
9.80 |
A |
ATOM |
6154 |
CB |
TYR |
A |
152 |
10.132 |
8.650 |
30.901 |
1.00 |
9.99 |
A |
ATOM |
6155 |
CG |
TYR |
A |
152 |
10.202 |
7.183 |
30.526 |
1.00 |
10.38 |
A |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
9.213 |
6.281 |
30.944 |
1.00 |
10.55 |
A |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
9.267 |
4.928 |
30.581 |
1.00 |
10.77 |
A |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
11.243 |
6.698 |
29.742 |
1.00 |
10.42 |
A |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
11.308 |
5.353 |
29.375 |
1.00 |
10.66 |
A |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
10.325 |
4.477 |
29.792 |
1.00 |
10.74 |
A |
ATOM |
6161 |
OH |
TYR |
A |
152 |
10.393 |
3.156 |
29.410 |
1.00 |
10.82 |
A |
ATOM |
6162 |
C |
TYR |
A |
152 |
11.245 |
8.820 |
33.157 |
1.00 |
9.88 |
A |
ATOM |
6163 |
O |
TYR |
A |
152 |
11.655 |
7.755 |
33.621 |
1.00 |
9.73 |
A |
ATOM |
6164 |
N |
TRP |
A |
153 |
11.907 |
9.965 |
33.296 |
1.00 |
9.89 |
A |
ATOM |
6165 |
CA |
TRP |
A |
153 |
13.158 |
10.012 |
34.036 |
1.00 |
10.03 |
A |
ATOM |
6166 |
CB |
TRP |
A |
153 |
13.808 |
11.398 |
33.925 |
1.00 |
10.21 |
A |
ATOM |
6167 |
CG |
TRP |
A |
153 |
14.774 |
11.688 |
35.031 |
1.00 |
10.40 |
A |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
15.930 |
10.920 |
35.389 |
1.00 |
10.68 |
A |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
16.491 |
11.521 |
36.539 |
1.00 |
10.78 |
A |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
16.544 |
9.783 |
34.853 |
1.00 |
10.67 |
A |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
14.688 |
12.696 |
35.943 |
1.00 |
10.44 |
A |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
15.714 |
12.603 |
36.854 |
1.00 |
10.64 |
A |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
17.637 |
11.018 |
37.167 |
1.00 |
10.84 |
A |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
17.689 |
9.282 |
35.478 |
1.00 |
10.82 |
A |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
18.220 |
9.902 |
36.623 |
1.00 |
10.64 |
A |
ATOM |
6176 |
C |
TRP |
A |
153 |
12.893 |
9.676 |
35.502 |
1.00 |
10.03 |
A |
ATOM |
6177 |
O |
TRP |
A |
153 |
13.602 |
8.861 |
36.098 |
1.00 |
10.17 |
A |
ATOM |
6178 |
N |
GLU |
A |
154 |
11.869 |
10.295 |
36.078 |
1.00 |
10.10 |
A |
ATOM |
6179 |
CA |
GLU |
A |
154 |
11.524 |
10.048 |
37.474 |
1.00 |
10.17 |
A |
ATOM |
6180 |
CB |
GLU |
A |
154 |
10.403 |
11.001 |
37.919 |
1.00 |
10.10 |
A |
ATOM |
6181 |
CG |
GLU |
A |
154 |
10.138 |
11.016 |
39.422 |
1.00 |
9.74 |
A |
ATOM |
6182 |
CD |
GLU |
A |
154 |
9.268 |
9.858 |
39.879 |
1.00 |
9.86 |
A |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
9.252 |
9.560 |
41.095 |
1.00 |
9.89 |
A |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
8.588 |
9.247 |
39.027 |
1.00 |
9.57 |
A |
ATOM |
6185 |
C |
GLU |
A |
154 |
11.095 |
8.587 |
37.641 |
1.00 |
10.51 |
A |
ATOM |
6186 |
O |
GLU |
A |
154 |
11.481 |
7.927 |
38.608 |
1.00 |
10.53 |
A |
ATOM |
6187 |
N |
ILE |
A |
155 |
10.321 |
8.079 |
36.683 |
1.00 |
10.63 |
A |
ATOM |
6188 |
CA |
ILE |
A |
155 |
9.855 |
6.700 |
36.739 |
1.00 |
10.71 |
A |
ATOM |
6189 |
CB |
ILE |
A |
155 |
8.823 |
6.430 |
35.625 |
1.00 |
10.90 |
A |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
8.485 |
4.944 |
35.555 |
1.00 |
10.77 |
A |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
7.559 |
7.254 |
35.908 |
1.00 |
10.69 |
A |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
6.531 |
7.198 |
34.810 |
1.00 |
10.76 |
A |
ATOM |
6193 |
C |
ILE |
A |
155 |
11.013 |
5.710 |
36.641 |
1.00 |
10.99 |
A |
ATOM |
6194 |
O |
ILE |
A |
155 |
11.147 |
4.802 |
37.475 |
1.00 |
10.97 |
A |
ATOM |
6195 |
N |
CYS |
A |
156 |
11.863 |
5.902 |
35.638 |
1.00 |
11.08 |
A |
ATOM |
6196 |
CA |
CYS |
A |
156 |
13.017 |
5.030 |
35.434 |
1.00 |
11.24 |
A |
ATOM |
6197 |
CB |
CYS |
A |
156 |
13.719 |
5.390 |
34.120 |
1.00 |
11.05 |
A |
ATOM |
6198 |
SG |
CYS |
A |
156 |
12.789 |
4.896 |
32.650 |
1.00 |
11.30 |
A |
ATOM |
6199 |
C |
CYS |
A |
156 |
14.018 |
5.108 |
36.583 |
1.00 |
11.50 |
A |
ATOM |
6200 |
O |
CYS |
A |
156 |
14.495 |
4.078 |
37.065 |
1.00 |
11.70 |
A |
ATOM |
6201 |
N |
SER |
A |
157 |
14.334 |
6.325 |
37.019 |
1.00 |
11.70 |
A |
ATOM |
6202 |
CA |
SER |
A |
157 |
15.289 |
6.512 |
38.105 |
1.00 |
12.05 |
A |
ATOM |
6203 |
CB |
SER |
A |
157 |
15.615 |
7.997 |
38.287 |
1.00 |
11.74 |
A |
ATOM |
6204 |
OG |
SER |
A |
157 |
14.494 |
8.732 |
38.739 |
1.00 |
11.48 |
A |
ATOM |
6205 |
C |
SER |
A |
157 |
14.789 |
5.924 |
39.424 |
1.00 |
12.41 |
A |
ATOM |
6206 |
O |
SER |
A |
157 |
15.585 |
5.500 |
40.266 |
1.00 |
12.70 |
A |
ATOM |
6207 |
N |
THR |
A |
158 |
13.475 |
5.905 |
39.612 |
1.00 |
12.70 |
A |
ATOM |
6208 |
CA |
THR |
A |
158 |
12.913 |
5.341 |
40.829 |
1.00 |
13.05 |
A |
ATOM |
6209 |
CB |
THR |
A |
158 |
11.379 |
5.466 |
40.853 |
1.00 |
13.03 |
A |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
11.014 |
6.842 |
41.007 |
1.00 |
12.82 |
A |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
10.791 |
4.659 |
42.011 |
1.00 |
12.99 |
A |
ATOM |
6212 |
C |
THR |
A |
158 |
13.284 |
3.863 |
40.939 |
1.00 |
13.54 |
A |
ATOM |
6213 |
O |
THR |
A |
158 |
13.754 |
3.407 |
41.981 |
1.00 |
13.26 |
A |
ATOM |
6214 |
N |
THR |
A |
159 |
13.068 |
3.113 |
39.863 |
1.00 |
14.14 |
A |
ATOM |
6215 |
CA |
THR |
A |
159 |
13.397 |
1.694 |
39.872 |
1.00 |
14.95 |
A |
ATOM |
6216 |
CB |
THR |
A |
159 |
12.878 |
0.995 |
38.597 |
1.00 |
15.00 |
A |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
11.445 |
1.015 |
38.607 |
1.00 |
15.26 |
A |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
13.356 |
−0.459 |
38.537 |
1.00 |
15.00 |
A |
ATOM |
6219 |
C |
THR |
A |
159 |
14.901 |
1.459 |
40.021 |
1.00 |
15.25 |
A |
ATOM |
6220 |
O |
THR |
A |
159 |
15.324 |
0.580 |
40.775 |
1.00 |
15.54 |
A |
ATOM |
6221 |
N |
LEU |
A |
160 |
15.709 |
2.249 |
39.323 |
1.00 |
15.71 |
A |
ATOM |
6222 |
CA |
LEU |
A |
160 |
17.158 |
2.105 |
39.410 |
1.00 |
16.22 |
A |
ATOM |
6223 |
CB |
LEU |
A |
160 |
17.851 |
3.066 |
38.437 |
1.00 |
16.17 |
A |
ATOM |
6224 |
CG |
LEU |
A |
160 |
17.681 |
2.778 |
36.940 |
1.00 |
16.23 |
A |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
18.193 |
3.966 |
36.137 |
1.00 |
16.43 |
A |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
18.413 |
1.502 |
36.548 |
1.00 |
15.89 |
A |
ATOM |
6227 |
C |
LEU |
A |
160 |
17.653 |
2.366 |
40.831 |
1.00 |
16.63 |
A |
ATOM |
6228 |
O |
LEU |
A |
160 |
18.557 |
1.683 |
41.316 |
1.00 |
16.60 |
A |
ATOM |
6229 |
N |
LEU |
A |
161 |
17.059 |
3.356 |
41.493 |
1.00 |
16.97 |
A |
ATOM |
6230 |
CA |
LEU |
A |
161 |
17.445 |
3.695 |
42.858 |
1.00 |
17.42 |
A |
ATOM |
6231 |
CB |
LEU |
A |
161 |
16.733 |
4.972 |
43.316 |
1.00 |
16.98 |
A |
ATOM |
6232 |
CG |
LEU |
A |
161 |
17.249 |
6.288 |
42.728 |
1.00 |
16.98 |
A |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
16.334 |
7.429 |
43.147 |
1.00 |
16.61 |
A |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
18.682 |
6.546 |
43.201 |
1.00 |
16.65 |
A |
ATOM |
6235 |
C |
LEU |
A |
161 |
17.132 |
2.548 |
43.818 |
1.00 |
17.85 |
A |
ATOM |
6236 |
O |
LEU |
A |
161 |
17.722 |
2.449 |
44.895 |
1.00 |
18.15 |
A |
ATOM |
6237 |
N |
VAL |
A |
162 |
16.196 |
1.691 |
43.428 |
1.00 |
17.99 |
A |
ATOM |
6238 |
CA |
VAL |
A |
162 |
15.831 |
0.548 |
44.245 |
1.00 |
18.31 |
A |
ATOM |
6239 |
CB |
VAL |
A |
162 |
14.611 |
−0.199 |
43.647 |
1.00 |
18.37 |
A |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
14.406 |
−1.530 |
44.354 |
1.00 |
18.47 |
A |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
13.356 |
0.660 |
43.788 |
1.00 |
18.42 |
A |
ATOM |
6242 |
C |
VAL |
A |
162 |
17.015 |
−0.418 |
44.340 |
1.00 |
18.61 |
A |
ATOM |
6243 |
O |
VAL |
A |
162 |
17.236 |
−1.048 |
45.378 |
1.00 |
18.71 |
A |
ATOM |
6244 |
N |
PHE |
A |
163 |
17.781 |
−0.520 |
43.257 |
1.00 |
18.71 |
A |
ATOM |
6245 |
CA |
PHE |
A |
163 |
18.938 |
−1.409 |
43.209 |
1.00 |
18.91 |
A |
ATOM |
6246 |
CB |
PHE |
A |
163 |
18.999 |
−2.128 |
41.852 |
1.00 |
18.88 |
A |
ATOM |
6247 |
CG |
PHE |
A |
163 |
17.789 |
−2.965 |
41.558 |
1.00 |
18.73 |
A |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
16.734 |
−2.448 |
40.822 |
1.00 |
18.63 |
A |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
17.678 |
−4.254 |
42.067 |
1.00 |
18.63 |
A |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
15.584 |
−3.198 |
40.599 |
1.00 |
18.60 |
A |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
16.529 |
−5.011 |
41.847 |
1.00 |
18.56 |
A |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
15.483 |
−4.480 |
41.114 |
1.00 |
18.40 |
A |
ATOM |
6253 |
C |
PHE |
A |
163 |
20.262 |
−0.692 |
43.468 |
1.00 |
19.04 |
A |
ATOM |
6254 |
O |
PHE |
A |
163 |
21.251 |
−1.326 |
43.832 |
1.00 |
18.99 |
A |
ATOM |
6528 |
N |
THR |
A |
197 |
4.484 |
−1.111 |
45.252 |
1.00 |
22.77 |
A |
ATOM |
6529 |
CA |
THR |
A |
197 |
5.126 |
−2.297 |
44.695 |
1.00 |
22.69 |
A |
ATOM |
6530 |
CB |
THR |
A |
197 |
4.568 |
−2.649 |
43.296 |
1.00 |
22.64 |
A |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
4.713 |
−1.524 |
42.419 |
1.00 |
22.39 |
A |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
3.096 |
−3.040 |
43.393 |
1.00 |
22.49 |
A |
ATOM |
6533 |
C |
THR |
A |
197 |
6.627 |
−2.062 |
44.583 |
1.00 |
22.75 |
A |
ATOM |
6534 |
O |
THR |
A |
197 |
7.087 |
−0.922 |
44.636 |
1.00 |
22.48 |
A |
ATOM |
6535 |
N |
LYS |
A |
198 |
7.390 |
−3.139 |
44.428 |
1.00 |
22.84 |
A |
ATOM |
6536 |
CA |
LYS |
A |
198 |
8.835 |
−3.014 |
44.305 |
1.00 |
23.15 |
A |
ATOM |
6537 |
CB |
LYS |
A |
198 |
9.503 |
−4.385 |
44.446 |
1.00 |
23.45 |
A |
ATOM |
6538 |
CG |
LYS |
A |
198 |
11.027 |
−4.339 |
44.481 |
1.00 |
23.89 |
A |
ATOM |
6539 |
CD |
LYS |
A |
198 |
11.617 |
−5.719 |
44.748 |
1.00 |
24.34 |
A |
ATOM |
6540 |
CE |
LYS |
A |
198 |
13.135 |
−5.669 |
44.905 |
1.00 |
24.64 |
A |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
13.715 |
−7.011 |
45.224 |
1.00 |
24.86 |
A |
ATOM |
6542 |
C |
LYS |
A |
198 |
9.201 |
−2.391 |
42.960 |
1.00 |
23.13 |
A |
ATOM |
6543 |
O |
LYS |
A |
198 |
9.917 |
−1.393 |
42.909 |
1.00 |
23.17 |
A |
ATOM |
6544 |
N |
LEU |
A |
199 |
8.706 |
−2.980 |
41.876 |
1.00 |
23.24 |
A |
ATOM |
6545 |
CA |
LEU |
A |
199 |
8.989 |
−2.475 |
40.537 |
1.00 |
23.52 |
A |
ATOM |
6546 |
CB |
LEU |
A |
199 |
9.571 |
−3.588 |
39.652 |
1.00 |
23.79 |
A |
ATOM |
6547 |
CG |
LEU |
A |
199 |
10.941 |
−4.180 |
40.010 |
1.00 |
24.11 |
A |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
11.934 |
−3.056 |
40.302 |
1.00 |
24.28 |
A |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
10.810 |
−5.078 |
41.220 |
1.00 |
24.55 |
A |
ATOM |
6550 |
C |
LEU |
A |
199 |
7.739 |
−1.894 |
39.871 |
1.00 |
23.53 |
A |
ATOM |
6551 |
O |
LEU |
A |
199 |
6.704 |
−1.767 |
40.557 |
1.00 |
23.60 |
A |
ATOM |
6552 |
OXT |
LEU |
A |
199 |
7.807 |
−1.566 |
38.669 |
1.00 |
23.55 |
A |
ATOM |
6688 |
N1 |
GSH |
H |
200 |
8.305 |
−2.844 |
24.998 |
1.00 |
20.97 |
H |
ATOM |
6689 |
CA1 |
GSH |
H |
200 |
6.911 |
−3.081 |
25.371 |
1.00 |
20.94 |
H |
ATOM |
6690 |
C1 |
GSH |
H |
200 |
6.240 |
−1.805 |
25.930 |
1.00 |
20.69 |
H |
ATOM |
6691 |
O11 |
GSH |
H |
200 |
6.937 |
−0.824 |
26.213 |
1.00 |
20.48 |
H |
ATOM |
6692 |
O12 |
GSH |
H |
200 |
4.943 |
−1.894 |
26.178 |
1.00 |
20.60 |
H |
ATOM |
6693 |
CB1 |
GSH |
H |
200 |
6.878 |
−4.158 |
26.465 |
1.00 |
21.02 |
H |
ATOM |
6694 |
CG1 |
GSH |
H |
200 |
7.003 |
−5.588 |
25.927 |
1.00 |
21.34 |
H |
ATOM |
6695 |
CD1 |
GSH |
H |
200 |
7.105 |
−6.535 |
27.153 |
1.00 |
21.26 |
H |
ATOM |
6696 |
OE1 |
GSH |
H |
200 |
7.995 |
−7.376 |
27.180 |
1.00 |
21.54 |
H |
ATOM |
6697 |
N2 |
GSH |
H |
200 |
6.151 |
−6.418 |
28.106 |
1.00 |
21.27 |
H |
ATOM |
6698 |
CA2 |
GSH |
H |
200 |
6.171 |
−7.317 |
29.280 |
1.00 |
21.32 |
H |
ATOM |
6699 |
C2 |
GSH |
H |
200 |
5.234 |
−8.508 |
29.053 |
1.00 |
21.45 |
H |
ATOM |
6700 |
O2 |
GSH |
H |
200 |
4.092 |
−8.371 |
28.603 |
1.00 |
21.33 |
H |
ATOM |
6701 |
CB2 |
GSH |
H |
200 |
5.676 |
−6.608 |
30.562 |
1.00 |
21.16 |
H |
ATOM |
6702 |
SG2 |
GSH |
H |
200 |
6.895 |
−5.457 |
31.266 |
1.00 |
20.43 |
H |
ATOM |
6703 |
N3 |
GSH |
H |
200 |
5.687 |
−9.697 |
29.521 |
1.00 |
21.62 |
H |
ATOM |
6704 |
CA3 |
GSH |
H |
200 |
4.848 |
−10.902 |
29.598 |
1.00 |
21.77 |
H |
ATOM |
6705 |
C3 |
GSH |
H |
200 |
5.235 |
−11.857 |
28.486 |
1.00 |
22.03 |
H |
ATOM |
6706 |
O31 |
GSH |
H |
200 |
4.505 |
−12.857 |
28.339 |
1.00 |
22.01 |
H |
ATOM |
6707 |
O32 |
GSH |
H |
200 |
6.217 |
−11.556 |
27.749 |
1.00 |
22.31 |
H |
ATOM |
6708 |
C1 |
U46 |
X |
201 |
10.418 |
−9.029 |
32.023 |
1.00 |
34.62 |
X |
ATOM |
6709 |
C2 |
U46 |
X |
201 |
9.663 |
−10.080 |
32.823 |
1.00 |
34.77 |
X |
ATOM |
6710 |
C3 |
U46 |
X |
201 |
9.043 |
−9.215 |
33.968 |
1.00 |
34.58 |
X |
ATOM |
6711 |
C4 |
U46 |
X |
201 |
8.603 |
−7.944 |
33.186 |
1.00 |
34.52 |
X |
ATOM |
6712 |
C5 |
U46 |
X |
201 |
9.105 |
−8.297 |
31.751 |
1.00 |
34.55 |
X |
ATOM |
6713 |
O6 |
U46 |
X |
201 |
8.305 |
−9.318 |
31.150 |
1.00 |
34.69 |
X |
ATOM |
6714 |
C7 |
U46 |
X |
201 |
8.626 |
−10.560 |
31.780 |
1.00 |
34.71 |
X |
ATOM |
6715 |
C14 |
U46 |
X |
201 |
9.215 |
−6.627 |
33.663 |
1.00 |
33.95 |
X |
ATOM |
6716 |
C16 |
U46 |
X |
201 |
8.636 |
−5.646 |
34.388 |
1.00 |
33.42 |
X |
ATOM |
6717 |
C18 |
U46 |
X |
201 |
9.270 |
−4.351 |
34.859 |
1.00 |
33.17 |
X |
ATOM |
6718 |
C20 |
U46 |
X |
201 |
9.952 |
−3.549 |
33.738 |
1.00 |
33.13 |
X |
ATOM |
6719 |
C21 |
U46 |
X |
201 |
10.163 |
−2.068 |
34.122 |
1.00 |
33.29 |
X |
ATOM |
6720 |
C24 |
U46 |
X |
201 |
10.959 |
−1.283 |
33.062 |
1.00 |
33.44 |
X |
ATOM |
6721 |
C27 |
U46 |
X |
201 |
10.626 |
0.219 |
33.069 |
1.00 |
33.39 |
X |
ATOM |
6722 |
C30 |
U46 |
X |
201 |
10.896 |
0.871 |
31.709 |
1.00 |
33.48 |
X |
ATOM |
6723 |
O36 |
U46 |
X |
201 |
10.227 |
−4.658 |
35.841 |
1.00 |
33.24 |
X |
ATOM |
6724 |
C39 |
U46 |
X |
201 |
7.877 |
−9.902 |
34.751 |
1.00 |
34.95 |
X |
ATOM |
6725 |
C41 |
U46 |
X |
201 |
8.032 |
−9.785 |
36.257 |
1.00 |
35.34 |
X |
ATOM |
6726 |
C44 |
U46 |
X |
201 |
8.610 |
−10.654 |
37.130 |
1.00 |
35.62 |
X |
ATOM |
6727 |
C46 |
U46 |
X |
201 |
9.261 |
−11.994 |
36.823 |
1.00 |
35.69 |
X |
ATOM |
6728 |
C48 |
U46 |
X |
201 |
10.726 |
−12.086 |
37.288 |
1.00 |
35.70 |
X |
ATOM |
6729 |
C51 |
U46 |
X |
201 |
11.026 |
−13.433 |
37.990 |
1.00 |
35.67 |
X |
ATOM |
6730 |
C54 |
U46 |
X |
201 |
12.522 |
−13.820 |
37.936 |
1.00 |
35.71 |
X |
ATOM |
6731 |
O57 |
U46 |
X |
201 |
12.742 |
−14.998 |
38.563 |
1.00 |
35.58 |
X |
ATOM |
6732 |
O58 |
U46 |
X |
201 |
13.394 |
−13.172 |
37.412 |
1.00 |
35.68 |
X |
ATOM |
6734 |
CA + 2 |
CA2 |
M |
902 |
12.234 |
1.221 |
22.856 |
1.00 |
26.18 |
M |
ATOM |
6797 |
OH2 |
WAT |
S |
66 |
8.810 |
−7.551 |
20.104 |
1.00 |
14.22 |
S |
ATOM |
6798 |
OH2 |
WAT |
S |
67 |
10.805 |
−8.913 |
21.442 |
1.00 |
18.79 |
S |
ATOM |
6799 |
OH2 |
WAT |
S |
68 |
7.756 |
−6.308 |
22.319 |
1.00 |
11.88 |
S |
ATOM |
6800 |
OH2 |
WAT |
S |
69 |
5.816 |
−8.813 |
20.585 |
1.00 |
16.62 |
S |
ATOM |
6801 |
OH2 |
WAT |
S |
70 |
5.092 |
−6.137 |
21.429 |
1.00 |
8.34 |
S |
ATOM |
6802 |
OH2 |
WAT |
S |
71 |
5.256 |
−11.109 |
19.213 |
1.00 |
14.67 |
S |
ATOM |
6803 |
OH2 |
WAT |
S |
72 |
3.023 |
−5.015 |
22.562 |
1.00 |
5.39 |
S |
ATOM |
6804 |
OH2 |
WAT |
S |
73 |
0.826 |
−6.659 |
23.058 |
1.00 |
10.24 |
S |
ATOM |
6805 |
OH2 |
WAT |
S |
74 |
2.776 |
−3.513 |
24.834 |
1.00 |
13.89 |
S |
ATOM |
6806 |
OH2 |
WAT |
S |
75 |
11.519 |
−4.838 |
25.573 |
1.00 |
37.60 |
S |
ATOM |
6807 |
OH2 |
WAT |
S |
76 |
8.072 |
−9.994 |
27.106 |
1.00 |
23.21 |
S |
ATOM |
6808 |
OH2 |
WAT |
S |
77 |
17.600 |
−2.336 |
25.194 |
1.00 |
29.44 |
S |
ATOM |
6955 |
OH2 |
WAT |
S |
228 |
−2.665 |
−1.375 |
34.872 |
1.00 |
12.13 |
S |
ATOM |
6956 |
OH2 |
WAT |
S |
229 |
0.635 |
−8.538 |
38.751 |
1.00 |
19.36 |
S |
ATOM |
6957 |
OH2 |
WAT |
S |
230 |
9.165 |
−7.382 |
41.775 |
1.00 |
33.05 |
S |
ATOM |
6958 |
OH2 |
WAT |
S |
231 |
1.469 |
2.057 |
40.259 |
1.00 |
10.55 |
S |
ATOM |
6959 |
OH2 |
WAT |
S |
232 |
2.424 |
−0.150 |
41.673 |
1.00 |
7.92 |
S |
ATOM |
6960 |
OH2 |
WAT |
S |
233 |
4.681 |
1.576 |
43.702 |
1.00 |
20.75 |
S |
ATOM |
6961 |
OH2 |
WAT |
S |
234 |
9.069 |
3.394 |
38.480 |
1.00 |
10.13 |
S |
ATOM |
6962 |
OH2 |
WAT |
S |
235 |
8.873 |
1.530 |
36.291 |
1.00 |
19.33 |
S |
ATOM |
6963 |
OH2 |
WAT |
S |
236 |
9.962 |
−0.719 |
37.350 |
1.00 |
9.21 |
S |
ATOM |
6964 |
OH2 |
WAT |
S |
237 |
6.538 |
3.283 |
32.602 |
1.00 |
4.33 |
S |
ATOM |
6966 |
OH2 |
WAT |
S |
239 |
6.866 |
−5.224 |
41.878 |
1.00 |
15.47 |
S |
ATOM |
7098 |
OH2 |
WAT |
S |
376 |
−2.658 |
−5.119 |
20.477 |
1.00 |
32.13 |
S |
ATOM |
7100 |
OH2 |
WAT |
S |
378 |
9.041 |
5.776 |
21.830 |
1.00 |
29.33 |
S |
ATOM |
7101 |
OH2 |
WAT |
S |
379 |
16.468 |
−6.279 |
25.400 |
1.00 |
37.77 |
S |
ATOM |
7102 |
OH2 |
WAT |
S |
380 |
11.532 |
−7.763 |
23.742 |
1.00 |
26.56 |
S |
ATOM |
7103 |
OH2 |
WAT |
S |
381 |
20.121 |
−7.464 |
24.596 |
1.00 |
31.37 |
S |
ATOM |
7206 |
OH2 |
WAT |
S |
487 |
−6.959 |
−2.973 |
28.857 |
1.00 |
26.99 |
S |
ATOM |
7220 |
OH2 |
WAT |
S |
502 |
19.741 |
−12.637 |
30.102 |
1.00 |
30.06 |
S |
ATOM |
7228 |
OH2 |
WAT |
S |
511 |
10.932 |
3.058 |
22.095 |
1.00 |
23.73 |
S |
ATOM |
7252 |
OH2 |
WAT |
S |
537 |
14.068 |
2.624 |
22.159 |
1.00 |
17.19 |
S |
ATOM |
7253 |
OH2 |
WAT |
S |
538 |
10.354 |
−0.297 |
22.259 |
1.00 |
23.05 |
S |
ATOM |
7254 |
OH2 |
WAT |
S |
539 |
14.359 |
0.199 |
23.830 |
1.00 |
17.88 |
S |
ATOM |
7255 |
OH2 |
WAT |
S |
540 |
13.565 |
−1.416 |
21.690 |
1.00 |
21.98 |
S |
ATOM |
7256 |
OH2 |
WAT |
S |
541 |
14.359 |
−2.488 |
23.994 |
1.00 |
24.68 |
S |
ATOM |
7257 |
OH2 |
WAT |
S |
542 |
6.700 |
1.457 |
23.387 |
1.00 |
7.45 |
S |
ATOM |
7260 |
OH2 |
WAT |
S |
545 |
6.810 |
4.437 |
20.115 |
1.00 |
9.33 |
S |
ATOM |
7262 |
OH2 |
WAT |
S |
548 |
7.372 |
2.188 |
29.676 |
1.00 |
13.81 |
S |
ATOM |
7263 |
OH2 |
WAT |
S |
551 |
12.593 |
1.210 |
20.664 |
1.00 |
23.28 |
S |
ATOM |
7279 |
OH2 |
WAT |
S |
568 |
9.152 |
−7.664 |
24.541 |
1.00 |
28.73 |
S |
ATOM |
7330 |
OH2 |
WAT |
S |
621 |
−0.052 |
−8.417 |
43.049 |
1.00 |
41.72 |
S |
ATOM |
7331 |
OH2 |
WAT |
S |
622 |
4.610 |
−6.488 |
42.101 |
1.00 |
39.75 |
S |
ATOM |
7334 |
OH2 |
WAT |
S |
625 |
−5.505 |
−11.363 |
37.210 |
1.00 |
32.13 |
S |
ATOM |
7365 |
OH2 |
WAT |
S |
659 |
12.799 |
−12.693 |
21.817 |
1.00 |
29.74 |
S |
ATOM |
7419 |
OH2 |
WAT |
S |
719 |
3.738 |
−8.441 |
39.590 |
1.00 |
44.76 |
S |
ATOM |
7420 |
OH2 |
WAT |
S |
720 |
−3.644 |
−7.487 |
40.846 |
1.00 |
28.21 |
S |
ATOM |
7421 |
OH2 |
WAT |
S |
721 |
9.250 |
0.354 |
24.552 |
1.00 |
31.35 |
S |
ATOM |
7469 |
OH2 |
WAT |
S |
779 |
13.344 |
−12.993 |
24.338 |
1.00 |
33.74 |
S |
ATOM |
7478 |
OH2 |
WAT |
S |
797 |
9.999 |
−4.902 |
29.944 |
1.00 |
42.20 |
S |
|
-
TABLE 4 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with magnesium, |
glutathione and 9,11-dideoxy-9α,11α- |
methanoepoxyprostaglandine F2α(U46) |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
52.373 |
40.696 |
69.223 |
1.00 |
5.08 |
A |
ATOM |
4967 |
CA |
TYR |
A |
8 |
50.981 |
40.835 |
69.625 |
1.00 |
5.19 |
A |
ATOM |
4968 |
CB |
TYR |
A |
8 |
50.387 |
42.136 |
69.066 |
1.00 |
5.85 |
A |
ATOM |
4969 |
CG |
TYR |
A |
8 |
49.055 |
42.515 |
69.678 |
1.00 |
5.32 |
A |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
48.943 |
42.758 |
71.047 |
1.00 |
5.34 |
A |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
47.727 |
43.124 |
71.619 |
1.00 |
5.53 |
A |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
47.908 |
42.646 |
68.889 |
1.00 |
5.77 |
A |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
46.685 |
43.014 |
69.451 |
1.00 |
5.46 |
A |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
46.604 |
43.251 |
70.815 |
1.00 |
5.16 |
A |
ATOM |
4975 |
OH |
TYR |
A |
8 |
45.399 |
43.630 |
71.365 |
1.00 |
5.90 |
A |
ATOM |
4976 |
C |
TYR |
A |
8 |
50.221 |
39.643 |
69.062 |
1.00 |
5.81 |
A |
ATOM |
4977 |
O |
TYR |
A |
8 |
50.803 |
38.783 |
68.405 |
1.00 |
6.16 |
A |
ATOM |
4978 |
N |
PHE |
A |
9 |
48.928 |
39.581 |
69.347 |
1.00 |
6.65 |
A |
ATOM |
4979 |
CA |
PHE |
A |
9 |
48.090 |
38.518 |
68.812 |
1.00 |
7.22 |
A |
ATOM |
4980 |
CB |
PHE |
A |
9 |
46.752 |
38.461 |
69.556 |
1.00 |
10.27 |
A |
ATOM |
4981 |
CG |
PHE |
A |
9 |
46.868 |
38.040 |
70.993 |
1.00 |
10.70 |
A |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
46.584 |
38.935 |
72.021 |
1.00 |
13.85 |
A |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
47.254 |
36.744 |
71.320 |
1.00 |
12.21 |
A |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
46.683 |
38.540 |
73.355 |
1.00 |
15.04 |
A |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
47.356 |
36.343 |
72.650 |
1.00 |
13.46 |
A |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
47.070 |
37.242 |
73.668 |
1.00 |
14.40 |
A |
ATOM |
4987 |
C |
PHE |
A |
9 |
47.811 |
38.860 |
67.350 |
1.00 |
6.45 |
A |
ATOM |
4988 |
O |
PHE |
A |
9 |
48.173 |
39.943 |
66.873 |
1.00 |
6.51 |
A |
ATOM |
4989 |
N |
ASN |
A |
10 |
47.178 |
37.938 |
66.632 |
1.00 |
7.20 |
A |
ATOM |
4990 |
CA |
ASN |
A |
10 |
46.822 |
38.209 |
65.248 |
1.00 |
7.50 |
A |
ATOM |
4991 |
CB |
ASN |
A |
10 |
46.676 |
36.915 |
64.445 |
1.00 |
8.81 |
A |
ATOM |
4992 |
CG |
ASN |
A |
10 |
46.265 |
37.172 |
63.010 |
1.00 |
10.65 |
A |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
46.628 |
38.191 |
62.423 |
1.00 |
9.77 |
A |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
45.515 |
36.240 |
62.430 |
1.00 |
12.72 |
A |
ATOM |
4995 |
C |
ASN |
A |
10 |
45.489 |
38.952 |
65.305 |
1.00 |
7.31 |
A |
ATOM |
4996 |
O |
ASN |
A |
10 |
44.425 |
38.386 |
65.058 |
1.00 |
7.42 |
A |
ATOM |
4997 |
N |
MET |
A |
11 |
45.573 |
40.228 |
65.668 |
1.00 |
6.93 |
A |
ATOM |
4998 |
CA |
MET |
A |
11 |
44.424 |
41.120 |
65.791 |
1.00 |
6.61 |
A |
ATOM |
4999 |
CB |
MET |
A |
11 |
43.816 |
41.082 |
67.202 |
1.00 |
9.76 |
A |
ATOM |
5000 |
CG |
MET |
A |
11 |
43.251 |
39.768 |
67.703 |
1.00 |
12.58 |
A |
ATOM |
5001 |
SD |
MET |
A |
11 |
42.429 |
40.034 |
69.312 |
1.00 |
16.46 |
A |
ATOM |
5002 |
CE |
MET |
A |
11 |
43.822 |
40.416 |
70.355 |
1.00 |
18.60 |
A |
ATOM |
5003 |
C |
MET |
A |
11 |
44.958 |
42.529 |
65.612 |
1.00 |
4.89 |
A |
ATOM |
5004 |
O |
MET |
A |
11 |
46.165 |
42.765 |
65.730 |
1.00 |
5.10 |
A |
ATOM |
5005 |
N |
ARG |
A |
12 |
44.065 |
43.471 |
65.333 |
1.00 |
4.88 |
A |
ATOM |
5006 |
CA |
ARG |
A |
12 |
44.481 |
44.863 |
65.248 |
1.00 |
4.58 |
A |
ATOM |
5007 |
CB |
ARG |
A |
12 |
43.377 |
45.722 |
64.630 |
1.00 |
4.90 |
A |
ATOM |
5008 |
CG |
ARG |
A |
12 |
43.101 |
45.396 |
63.166 |
1.00 |
4.93 |
A |
ATOM |
5009 |
CD |
ARG |
A |
12 |
42.125 |
46.404 |
62.550 |
1.00 |
5.92 |
A |
ATOM |
5010 |
NE |
ARG |
A |
12 |
40.874 |
46.486 |
63.301 |
1.00 |
5.59 |
A |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
39.925 |
45.558 |
63.273 |
1.00 |
6.68 |
A |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
40.073 |
44.477 |
62.519 |
1.00 |
6.84 |
A |
ATOM |
5013 |
NH2 |
ARG |
A |
12 |
38.841 |
45.699 |
64.025 |
1.00 |
7.34 |
A |
ATOM |
5014 |
C |
ARG |
A |
12 |
44.716 |
45.251 |
66.711 |
1.00 |
4.87 |
A |
ATOM |
5015 |
O |
ARG |
A |
12 |
45.835 |
45.568 |
67.112 |
1.00 |
5.24 |
A |
ATOM |
5016 |
N |
GLY |
A |
13 |
43.647 |
45.193 |
67.500 |
1.00 |
5.06 |
A |
ATOM |
5017 |
CA |
GLY |
A |
13 |
43.722 |
45.495 |
68.916 |
1.00 |
4.83 |
A |
ATOM |
5018 |
C |
GLY |
A |
13 |
44.620 |
46.641 |
69.327 |
1.00 |
4.65 |
A |
ATOM |
5019 |
O |
GLY |
A |
13 |
44.611 |
47.717 |
68.718 |
1.00 |
5.04 |
A |
ATOM |
5020 |
N |
ARG |
A |
14 |
45.404 |
46.397 |
70.373 |
1.00 |
4.18 |
A |
ATOM |
5021 |
CA |
ARG |
A |
14 |
46.305 |
47.398 |
70.929 |
1.00 |
5.36 |
A |
ATOM |
5022 |
CB |
ARG |
A |
14 |
46.573 |
47.085 |
72.401 |
1.00 |
5.09 |
A |
ATOM |
5023 |
CG |
ARG |
A |
14 |
45.315 |
47.228 |
73.252 |
1.00 |
5.96 |
A |
ATOM |
5024 |
CD |
ARG |
A |
14 |
45.594 |
46.965 |
74.727 |
1.00 |
8.03 |
A |
ATOM |
5025 |
NE |
ARG |
A |
14 |
44.524 |
47.502 |
75.570 |
1.00 |
10.77 |
A |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
43.670 |
46.772 |
76.281 |
1.00 |
12.04 |
A |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
43.742 |
45.449 |
76.268 |
1.00 |
13.88 |
A |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
42.740 |
47.372 |
77.011 |
1.00 |
15.99 |
A |
ATOM |
5029 |
C |
ARG |
A |
14 |
47.618 |
47.571 |
70.188 |
1.00 |
4.92 |
A |
ATOM |
5030 |
O |
ARG |
A |
14 |
48.394 |
48.465 |
70.509 |
1.00 |
6.47 |
A |
ATOM |
5031 |
N |
ALA |
A |
15 |
47.878 |
46.728 |
69.199 |
1.00 |
4.71 |
A |
ATOM |
5032 |
CA |
ALA |
A |
15 |
49.111 |
46.864 |
68.439 |
1.00 |
4.73 |
A |
ATOM |
5033 |
CB |
ALA |
A |
15 |
49.617 |
45.491 |
68.020 |
1.00 |
7.01 |
A |
ATOM |
5034 |
C |
ALA |
A |
15 |
48.907 |
47.729 |
67.203 |
1.00 |
4.72 |
A |
ATOM |
5035 |
O |
ALA |
A |
15 |
49.867 |
48.277 |
66.661 |
1.00 |
4.50 |
A |
ATOM |
5036 |
N |
GLU |
A |
16 |
47.656 |
47.882 |
66.775 |
1.00 |
4.21 |
A |
ATOM |
5037 |
CA |
GLU |
A |
16 |
47.386 |
48.606 |
65.542 |
1.00 |
4.17 |
A |
ATOM |
5038 |
CB |
GLU |
A |
16 |
45.888 |
48.555 |
65.220 |
1.00 |
4.19 |
A |
ATOM |
5039 |
CG |
GLU |
A |
16 |
45.564 |
48.801 |
63.741 |
1.00 |
5.10 |
A |
ATOM |
5040 |
CD |
GLU |
A |
16 |
46.069 |
47.700 |
62.804 |
1.00 |
5.24 |
A |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
46.619 |
46.682 |
63.283 |
1.00 |
5.72 |
A |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
45.907 |
47.864 |
61.575 |
1.00 |
5.89 |
A |
ATOM |
5043 |
C |
GLU |
A |
16 |
47.904 |
50.034 |
65.463 |
1.00 |
4.67 |
A |
ATOM |
5044 |
O |
GLU |
A |
16 |
48.364 |
50.459 |
64.404 |
1.00 |
4.75 |
A |
ATOM |
5045 |
N |
ILE |
A |
17 |
47.859 |
50.776 |
66.566 |
1.00 |
4.26 |
A |
ATOM |
5046 |
CA |
ILE |
A |
17 |
48.351 |
52.146 |
66.529 |
1.00 |
4.04 |
A |
ATOM |
5047 |
CB |
ILE |
A |
17 |
48.092 |
52.876 |
67.889 |
1.00 |
5.08 |
A |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
48.797 |
52.165 |
69.029 |
1.00 |
5.12 |
A |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
48.539 |
54.337 |
67.794 |
1.00 |
4.72 |
A |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
47.815 |
55.138 |
66.720 |
1.00 |
6.77 |
A |
ATOM |
5051 |
C |
ILE |
A |
17 |
49.841 |
52.150 |
66.158 |
1.00 |
4.37 |
A |
ATOM |
5052 |
O |
ILE |
A |
17 |
50.301 |
53.003 |
65.394 |
1.00 |
5.08 |
A |
ATOM |
5242 |
N |
TRP |
A |
39 |
50.877 |
31.481 |
73.859 |
1.00 |
14.53 |
A |
ATOM |
5243 |
CA |
TRP |
A |
39 |
50.756 |
32.520 |
74.879 |
1.00 |
13.46 |
A |
ATOM |
5244 |
CB |
TRP |
A |
39 |
49.282 |
32.747 |
75.231 |
1.00 |
13.58 |
A |
ATOM |
5245 |
CG |
TRP |
A |
39 |
49.060 |
33.765 |
76.321 |
1.00 |
12.94 |
A |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
49.582 |
35.102 |
76.384 |
1.00 |
12.06 |
A |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
49.128 |
35.671 |
77.593 |
1.00 |
12.15 |
A |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
50.392 |
35.874 |
75.537 |
1.00 |
10.40 |
A |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
48.328 |
33.591 |
77.460 |
1.00 |
13.75 |
A |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
48.365 |
34.728 |
78.230 |
1.00 |
13.97 |
A |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
49.454 |
36.974 |
77.981 |
1.00 |
11.46 |
A |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
50.717 |
37.176 |
75.926 |
1.00 |
10.56 |
A |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
50.247 |
37.709 |
77.137 |
1.00 |
10.60 |
A |
ATOM |
5254 |
C |
TRP |
A |
39 |
51.564 |
32.262 |
76.156 |
1.00 |
14.42 |
A |
ATOM |
5255 |
O |
TRP |
A |
39 |
52.316 |
33.127 |
76.592 |
1.00 |
13.42 |
A |
ATOM |
5256 |
N |
PRO |
A |
40 |
51.424 |
31.076 |
76.774 |
1.00 |
13.83 |
A |
ATOM |
5257 |
CD |
PRO |
A |
40 |
50.509 |
29.950 |
76.512 |
1.00 |
15.37 |
A |
ATOM |
5258 |
CA |
PRO |
A |
40 |
52.202 |
30.843 |
77.995 |
1.00 |
13.84 |
A |
ATOM |
5259 |
CB |
PRO |
A |
40 |
51.885 |
29.388 |
78.329 |
1.00 |
14.82 |
A |
ATOM |
5260 |
CG |
PRO |
A |
40 |
50.467 |
29.254 |
77.861 |
1.00 |
15.27 |
A |
ATOM |
5261 |
C |
PRO |
A |
40 |
53.697 |
31.089 |
77.809 |
1.00 |
14.02 |
A |
ATOM |
5262 |
O |
PRO |
A |
40 |
54.342 |
31.712 |
78.656 |
1.00 |
14.68 |
A |
ATOM |
5263 |
N |
GLU |
A |
41 |
54.245 |
30.606 |
76.700 |
1.00 |
14.37 |
A |
ATOM |
5264 |
CA |
GLU |
A |
41 |
55.664 |
30.784 |
76.422 |
1.00 |
15.32 |
A |
ATOM |
5265 |
CB |
GLU |
A |
41 |
56.079 |
29.953 |
75.205 |
1.00 |
18.64 |
A |
ATOM |
5266 |
CG |
GLU |
A |
41 |
54.940 |
29.199 |
74.548 |
1.00 |
25.28 |
A |
ATOM |
5267 |
CD |
GLU |
A |
41 |
55.423 |
28.170 |
73.548 |
1.00 |
27.49 |
A |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
56.616 |
28.201 |
73.183 |
1.00 |
29.60 |
A |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
54.608 |
27.334 |
73.116 |
1.00 |
30.19 |
A |
ATOM |
5270 |
C |
GLU |
A |
41 |
56.005 |
32.253 |
76.188 |
1.00 |
13.50 |
A |
ATOM |
5271 |
O |
GLU |
A |
41 |
56.988 |
32.761 |
76.723 |
1.00 |
15.87 |
A |
ATOM |
5272 |
N |
ILE |
A |
42 |
55.190 |
32.931 |
75.388 |
1.00 |
12.31 |
A |
ATOM |
5273 |
CA |
ILE |
A |
42 |
55.413 |
34.342 |
75.095 |
1.00 |
12.42 |
A |
ATOM |
5274 |
CB |
ILE |
A |
42 |
54.407 |
34.852 |
74.031 |
1.00 |
12.64 |
A |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
54.485 |
36.374 |
73.916 |
1.00 |
12.49 |
A |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
54.697 |
34.197 |
72.677 |
1.00 |
14.88 |
A |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
56.018 |
34.607 |
72.054 |
1.00 |
16.40 |
A |
ATOM |
5278 |
C |
ILE |
A |
42 |
55.276 |
35.196 |
76.358 |
1.00 |
10.62 |
A |
ATOM |
5279 |
O |
ILE |
A |
42 |
56.111 |
36.063 |
76.625 |
1.00 |
11.25 |
A |
ATOM |
5280 |
N |
LYS |
A |
43 |
54.228 |
34.941 |
77.131 |
1.00 |
11.00 |
A |
ATOM |
5281 |
CA |
LYS |
A |
43 |
53.969 |
35.697 |
78.351 |
1.00 |
10.64 |
A |
ATOM |
5282 |
CB |
LYS |
A |
43 |
52.722 |
35.144 |
79.052 |
1.00 |
9.83 |
A |
ATOM |
5283 |
CG |
LYS |
A |
43 |
52.292 |
35.936 |
80.279 |
1.00 |
10.83 |
A |
ATOM |
5284 |
CD |
LYS |
A |
43 |
51.053 |
35.326 |
80.910 |
1.00 |
12.63 |
A |
ATOM |
5285 |
CE |
LYS |
A |
43 |
50.652 |
36.051 |
82.183 |
1.00 |
14.51 |
A |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
49.477 |
35.397 |
82.820 |
1.00 |
14.93 |
A |
ATOM |
5287 |
C |
LYS |
A |
43 |
55.143 |
35.703 |
79.323 |
1.00 |
12.13 |
A |
ATOM |
5288 |
O |
LYS |
A |
43 |
55.384 |
36.699 |
80.005 |
1.00 |
12.18 |
A |
ATOM |
5328 |
N |
GLY |
A |
49 |
53.610 |
40.833 |
81.753 |
1.00 |
7.16 |
A |
ATOM |
5329 |
CA |
GLY |
A |
49 |
52.668 |
39.832 |
81.287 |
1.00 |
8.61 |
A |
ATOM |
5330 |
C |
GLY |
A |
49 |
51.654 |
40.290 |
80.260 |
1.00 |
6.93 |
A |
ATOM |
5331 |
O |
GLY |
A |
49 |
50.653 |
39.608 |
80.038 |
1.00 |
7.98 |
A |
ATOM |
5332 |
N |
LYS |
A |
50 |
51.907 |
41.429 |
79.619 |
1.00 |
6.55 |
A |
ATOM |
5333 |
CA |
LYS |
A |
50 |
50.976 |
41.949 |
78.625 |
1.00 |
6.43 |
A |
ATOM |
5334 |
CB |
LYS |
A |
50 |
50.305 |
43.240 |
79.120 |
1.00 |
7.04 |
A |
ATOM |
5335 |
CG |
LYS |
A |
50 |
49.749 |
43.196 |
80.530 |
1.00 |
9.59 |
A |
ATOM |
5336 |
CD |
LYS |
A |
50 |
48.616 |
42.198 |
80.672 |
1.00 |
11.11 |
A |
ATOM |
5337 |
CE |
LYS |
A |
50 |
48.089 |
42.190 |
82.097 |
1.00 |
15.13 |
A |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
49.205 |
42.086 |
83.079 |
1.00 |
17.69 |
A |
ATOM |
5339 |
C |
LYS |
A |
50 |
51.641 |
42.272 |
77.300 |
1.00 |
5.28 |
A |
ATOM |
5340 |
O |
LYS |
A |
50 |
52.846 |
42.538 |
77.232 |
1.00 |
5.40 |
A |
ATOM |
5341 |
N |
ILE |
A |
51 |
50.837 |
42.241 |
76.247 |
1.00 |
4.98 |
A |
ATOM |
5342 |
CA |
ILE |
A |
51 |
51.300 |
42.612 |
74.923 |
1.00 |
5.31 |
A |
ATOM |
5343 |
CB |
ILE |
A |
51 |
51.297 |
41.414 |
73.929 |
1.00 |
6.08 |
A |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
52.577 |
40.606 |
74.121 |
1.00 |
7.61 |
A |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
50.044 |
40.552 |
74.104 |
1.00 |
7.83 |
A |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
49.971 |
39.380 |
73.132 |
1.00 |
11.35 |
A |
ATOM |
5347 |
C |
ILE |
A |
51 |
50.350 |
43.716 |
74.449 |
1.00 |
4.83 |
A |
ATOM |
5348 |
O |
ILE |
A |
51 |
49.228 |
43.847 |
74.929 |
1.00 |
5.85 |
A |
ATOM |
5349 |
N |
PRO |
A |
52 |
50.778 |
44.515 |
73.461 |
1.00 |
4.61 |
A |
ATOM |
5350 |
CD |
PRO |
A |
52 |
50.013 |
45.710 |
73.057 |
1.00 |
4.91 |
A |
ATOM |
5351 |
CA |
PRO |
A |
52 |
52.047 |
44.434 |
72.746 |
1.00 |
4.74 |
A |
ATOM |
5352 |
CB |
PRO |
A |
52 |
51.803 |
45.352 |
71.556 |
1.00 |
5.22 |
A |
ATOM |
5353 |
CG |
PRO |
A |
52 |
51.008 |
46.472 |
72.190 |
1.00 |
6.07 |
A |
ATOM |
5354 |
C |
PRO |
A |
52 |
53.327 |
44.841 |
73.456 |
1.00 |
5.16 |
A |
ATOM |
5355 |
O |
PRO |
A |
52 |
53.326 |
45.548 |
74.469 |
1.00 |
4.84 |
A |
ATOM |
5356 |
N |
ILE |
A |
53 |
54.423 |
44.329 |
72.909 |
1.00 |
4.77 |
A |
ATOM |
5357 |
CA |
ILE |
A |
53 |
55.747 |
44.742 |
73.323 |
1.00 |
4.63 |
A |
ATOM |
5358 |
CB |
ILE |
A |
53 |
56.576 |
43.680 |
74.116 |
1.00 |
5.58 |
A |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
55.986 |
43.498 |
75.498 |
1.00 |
6.57 |
A |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
56.711 |
42.376 |
73.332 |
1.00 |
6.10 |
A |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
57.853 |
41.501 |
73.831 |
1.00 |
8.86 |
A |
ATOM |
5362 |
C |
ILE |
A |
53 |
56.439 |
45.024 |
71.998 |
1.00 |
4.92 |
A |
ATOM |
5363 |
O |
ILE |
A |
53 |
56.056 |
44.484 |
70.951 |
1.00 |
4.78 |
A |
ATOM |
5423 |
N |
HIS |
A |
62 |
57.230 |
48.257 |
76.387 |
1.00 |
5.48 |
A |
ATOM |
5424 |
CA |
HIS |
A |
62 |
55.869 |
47.762 |
76.529 |
1.00 |
5.13 |
A |
ATOM |
5425 |
CB |
HIS |
A |
62 |
55.742 |
46.832 |
77.744 |
1.00 |
5.58 |
A |
ATOM |
5426 |
CG |
HIS |
A |
62 |
55.930 |
47.514 |
79.060 |
1.00 |
4.58 |
A |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
57.037 |
48.000 |
79.664 |
1.00 |
5.33 |
A |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
54.877 |
47.778 |
79.911 |
1.00 |
5.59 |
A |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
55.333 |
48.400 |
80.982 |
1.00 |
5.03 |
A |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
56.639 |
48.549 |
80.860 |
1.00 |
6.03 |
A |
ATOM |
5431 |
C |
HIS |
A |
62 |
54.925 |
48.962 |
76.626 |
1.00 |
4.66 |
A |
ATOM |
5432 |
O |
HIS |
A |
62 |
55.386 |
50.105 |
76.654 |
1.00 |
5.51 |
A |
ATOM |
5433 |
N |
GLN |
A |
63 |
53.619 |
48.684 |
76.647 |
1.00 |
4.29 |
A |
ATOM |
5434 |
CA |
GLN |
A |
63 |
52.542 |
49.684 |
76.704 |
1.00 |
4.47 |
A |
ATOM |
5435 |
CB |
GLN |
A |
63 |
52.799 |
50.722 |
77.803 |
1.00 |
5.14 |
A |
ATOM |
5436 |
CG |
GLN |
A |
63 |
52.408 |
50.230 |
79.196 |
1.00 |
5.62 |
A |
ATOM |
5437 |
CD |
GLN |
A |
63 |
50.906 |
50.052 |
79.366 |
1.00 |
5.35 |
A |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
50.112 |
50.483 |
78.523 |
1.00 |
4.91 |
A |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
50.508 |
49.434 |
80.474 |
1.00 |
5.54 |
A |
ATOM |
5440 |
C |
GLN |
A |
63 |
52.378 |
50.337 |
75.335 |
1.00 |
4.53 |
A |
ATOM |
5441 |
O |
GLN |
A |
63 |
53.197 |
51.150 |
74.908 |
1.00 |
4.75 |
A |
ATOM |
5442 |
N |
SER |
A |
64 |
51.298 |
49.970 |
74.652 |
1.00 |
4.47 |
A |
ATOM |
5443 |
CA |
SER |
A |
64 |
51.049 |
50.446 |
73.299 |
1.00 |
5.16 |
A |
ATOM |
5444 |
CB |
SER |
A |
64 |
49.693 |
49.935 |
72.796 |
1.00 |
4.88 |
A |
ATOM |
5445 |
OG |
SER |
A |
64 |
48.605 |
50.551 |
73.460 |
1.00 |
5.68 |
A |
ATOM |
5446 |
C |
SER |
A |
64 |
51.149 |
51.942 |
73.054 |
1.00 |
4.97 |
A |
ATOM |
5447 |
O |
SER |
A |
64 |
51.742 |
52.366 |
72.062 |
1.00 |
5.10 |
A |
ATOM |
5448 |
N |
LEU |
A |
65 |
50.583 |
52.749 |
73.943 |
1.00 |
4.29 |
A |
ATOM |
5449 |
CA |
LEU |
A |
65 |
50.616 |
54.189 |
73.744 |
1.00 |
4.24 |
A |
ATOM |
5450 |
CB |
LEU |
A |
65 |
49.468 |
54.843 |
74.514 |
1.00 |
5.94 |
A |
ATOM |
5451 |
CG |
LEU |
A |
65 |
48.110 |
54.218 |
74.171 |
1.00 |
6.96 |
A |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
47.017 |
54.953 |
74.937 |
1.00 |
9.08 |
A |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
47.857 |
54.274 |
72.666 |
1.00 |
8.54 |
A |
ATOM |
5454 |
C |
LEU |
A |
65 |
51.962 |
54.802 |
74.114 |
1.00 |
4.91 |
A |
ATOM |
5455 |
O |
LEU |
A |
65 |
52.360 |
55.817 |
73.544 |
1.00 |
5.28 |
A |
ATOM |
5662 |
N |
ASP |
A |
93 |
44.344 |
59.210 |
75.556 |
1.00 |
4.56 |
A |
ATOM |
5663 |
CA |
ASP |
A |
93 |
43.975 |
58.590 |
76.829 |
1.00 |
4.81 |
A |
ATOM |
5664 |
CB |
ASP |
A |
93 |
44.674 |
59.281 |
78.008 |
1.00 |
5.82 |
A |
ATOM |
5665 |
CG |
ASP |
A |
93 |
46.052 |
58.688 |
78.299 |
1.00 |
6.27 |
A |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
46.654 |
59.050 |
79.336 |
1.00 |
8.17 |
A |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
46.534 |
57.858 |
77.497 |
1.00 |
6.94 |
A |
ATOM |
5668 |
C |
ASP |
A |
93 |
42.455 |
58.581 |
77.031 |
1.00 |
4.64 |
A |
ATOM |
5669 |
O |
ASP |
A |
93 |
41.914 |
57.667 |
77.647 |
1.00 |
5.45 |
A |
ATOM |
5670 |
N |
THR |
A |
94 |
41.760 |
59.589 |
76.513 |
1.00 |
4.84 |
A |
ATOM |
5671 |
CA |
THR |
A |
94 |
40.307 |
59.616 |
76.642 |
1.00 |
5.76 |
A |
ATOM |
5672 |
CB |
THR |
A |
94 |
39.745 |
60.972 |
76.166 |
1.00 |
6.34 |
A |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
40.156 |
61.992 |
77.086 |
1.00 |
7.42 |
A |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
38.223 |
60.943 |
76.110 |
1.00 |
8.19 |
A |
ATOM |
5675 |
C |
THR |
A |
94 |
39.718 |
58.460 |
75.825 |
1.00 |
6.13 |
A |
ATOM |
5676 |
O |
THR |
A |
94 |
38.803 |
57.764 |
76.276 |
1.00 |
6.09 |
A |
ATOM |
5677 |
N |
LEU |
A |
95 |
40.253 |
58.247 |
74.628 |
1.00 |
4.62 |
A |
ATOM |
5678 |
CA |
LEU |
A |
95 |
39.788 |
57.153 |
73.785 |
1.00 |
5.06 |
A |
ATOM |
5679 |
CB |
LEU |
A |
95 |
40.426 |
57.233 |
72.400 |
1.00 |
5.92 |
A |
ATOM |
5680 |
CG |
LEU |
A |
95 |
39.966 |
58.395 |
71.519 |
1.00 |
6.51 |
A |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
40.809 |
58.448 |
70.253 |
1.00 |
7.81 |
A |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
38.495 |
58.215 |
71.174 |
1.00 |
8.77 |
A |
ATOM |
5683 |
C |
LEU |
A |
95 |
40.143 |
55.819 |
74.423 |
1.00 |
4.85 |
A |
ATOM |
5684 |
O |
LEU |
A |
95 |
39.321 |
54.907 |
74.480 |
1.00 |
5.32 |
A |
ATOM |
5685 |
N |
ASP |
A |
96 |
41.373 |
55.711 |
74.912 |
1.00 |
5.08 |
A |
ATOM |
5686 |
CA |
ASP |
A |
96 |
41.830 |
54.472 |
75.524 |
1.00 |
4.86 |
A |
ATOM |
5687 |
CB |
ASP |
A |
96 |
43.328 |
54.556 |
75.817 |
1.00 |
5.00 |
A |
ATOM |
5688 |
CG |
ASP |
A |
96 |
43.975 |
53.191 |
75.916 |
1.00 |
6.28 |
A |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
43.865 |
52.415 |
74.945 |
1.00 |
7.24 |
A |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
44.593 |
52.896 |
76.958 |
1.00 |
8.87 |
A |
ATOM |
5691 |
C |
ASP |
A |
96 |
41.056 |
54.146 |
76.797 |
1.00 |
5.03 |
A |
ATOM |
5692 |
O |
ASP |
A |
96 |
40.784 |
52.978 |
77.082 |
1.00 |
5.59 |
A |
ATOM |
5693 |
N |
ASP |
A |
97 |
40.702 |
55.173 |
77.564 |
1.00 |
5.23 |
A |
ATOM |
5694 |
CA |
ASP |
A |
97 |
39.926 |
54.974 |
78.784 |
1.00 |
5.46 |
A |
ATOM |
5695 |
CB |
ASP |
A |
97 |
39.585 |
56.317 |
79.436 |
1.00 |
6.58 |
A |
ATOM |
5696 |
CG |
ASP |
A |
97 |
40.721 |
56.890 |
80.261 |
1.00 |
6.62 |
A |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
40.597 |
58.061 |
80.677 |
1.00 |
7.17 |
A |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
41.721 |
56.185 |
80.504 |
1.00 |
7.79 |
A |
ATOM |
5699 |
C |
ASP |
A |
97 |
38.621 |
54.269 |
78.426 |
1.00 |
6.00 |
A |
ATOM |
5700 |
O |
ASP |
A |
97 |
38.207 |
53.322 |
79.100 |
1.00 |
6.84 |
A |
ATOM |
5701 |
N |
PHE |
A |
98 |
37.969 |
54.732 |
77.364 |
1.00 |
5.70 |
A |
ATOM |
5702 |
CA |
PHE |
A |
98 |
36.712 |
54.122 |
76.964 |
1.00 |
5.97 |
A |
ATOM |
5703 |
CB |
PHE |
A |
98 |
36.013 |
54.962 |
75.898 |
1.00 |
6.49 |
A |
ATOM |
5704 |
CG |
PHE |
A |
98 |
34.603 |
54.532 |
75.635 |
1.00 |
7.36 |
A |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
33.662 |
54.547 |
76.659 |
1.00 |
9.72 |
A |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
34.217 |
54.088 |
74.379 |
1.00 |
7.45 |
A |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
32.354 |
54.123 |
76.434 |
1.00 |
10.12 |
A |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
32.911 |
53.662 |
74.140 |
1.00 |
9.08 |
A |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
31.979 |
53.680 |
75.172 |
1.00 |
9.33 |
A |
ATOM |
5710 |
C |
PHE |
A |
98 |
36.906 |
52.698 |
76.452 |
1.00 |
6.08 |
A |
ATOM |
5711 |
O |
PHE |
A |
98 |
36.168 |
51.789 |
76.839 |
1.00 |
6.41 |
A |
ATOM |
5712 |
N |
MET |
A |
99 |
37.896 |
52.490 |
75.589 |
1.00 |
6.17 |
A |
ATOM |
5713 |
CA |
MET |
A |
99 |
38.146 |
51.152 |
75.062 |
1.00 |
5.91 |
A |
ATOM |
5714 |
CB |
MET |
A |
99 |
39.330 |
51.155 |
74.091 |
1.00 |
7.58 |
A |
ATOM |
5715 |
CG |
MET |
A |
99 |
39.159 |
52.043 |
72.860 |
1.00 |
7.35 |
A |
ATOM |
5716 |
SD |
MET |
A |
99 |
37.673 |
51.709 |
71.886 |
1.00 |
7.56 |
A |
ATOM |
5717 |
CE |
MET |
A |
99 |
38.136 |
50.177 |
71.036 |
1.00 |
9.56 |
A |
ATOM |
5718 |
C |
MET |
A |
99 |
38.439 |
50.178 |
76.198 |
1.00 |
6.10 |
A |
ATOM |
5719 |
O |
MET |
A |
99 |
38.060 |
49.005 |
76.139 |
1.00 |
7.35 |
A |
ATOM |
5720 |
N |
SER |
A |
100 |
39.108 |
50.671 |
77.236 |
1.00 |
6.09 |
A |
ATOM |
5721 |
CA |
SER |
A |
100 |
39.465 |
49.839 |
78.382 |
1.00 |
8.79 |
A |
ATOM |
5722 |
CB |
SER |
A |
100 |
40.533 |
50.546 |
79.220 |
1.00 |
9.54 |
A |
ATOM |
5723 |
OG |
SER |
A |
100 |
41.722 |
50.717 |
78.466 |
1.00 |
15.41 |
A |
ATOM |
5724 |
C |
SER |
A |
100 |
38.279 |
49.449 |
79.266 |
1.00 |
9.77 |
A |
ATOM |
5725 |
O |
SER |
A |
100 |
38.415 |
48.591 |
80.142 |
1.00 |
12.78 |
A |
ATOM |
5726 |
N |
CYS |
A |
101 |
37.123 |
50.067 |
79.033 |
1.00 |
9.75 |
A |
ATOM |
5727 |
CA |
CYS |
A |
101 |
35.920 |
49.764 |
79.808 |
1.00 |
11.59 |
A |
ATOM |
5728 |
CB |
CYS |
A |
101 |
34.892 |
50.892 |
79.680 |
1.00 |
12.49 |
A |
ATOM |
5729 |
SG |
CYS |
A |
101 |
35.263 |
52.370 |
80.617 |
1.00 |
15.69 |
A |
ATOM |
5730 |
C |
CYS |
A |
101 |
35.260 |
48.469 |
79.351 |
1.00 |
10.47 |
A |
ATOM |
5731 |
O |
CYS |
A |
101 |
34.497 |
47.857 |
80.100 |
1.00 |
12.82 |
A |
ATOM |
5732 |
N |
PHE |
A |
102 |
35.542 |
48.063 |
78.119 |
1.00 |
10.24 |
A |
ATOM |
5733 |
CA |
PHE |
A |
102 |
34.941 |
46.855 |
77.571 |
1.00 |
10.36 |
A |
ATOM |
5734 |
CB |
PHE |
A |
102 |
35.009 |
46.877 |
76.045 |
1.00 |
10.28 |
A |
ATOM |
5735 |
CG |
PHE |
A |
102 |
34.151 |
47.936 |
75.420 |
1.00 |
8.84 |
A |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
34.567 |
49.263 |
75.386 |
1.00 |
9.33 |
A |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
32.910 |
47.609 |
74.884 |
1.00 |
9.36 |
A |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
33.756 |
50.251 |
74.829 |
1.00 |
8.74 |
A |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
32.092 |
48.586 |
74.325 |
1.00 |
9.38 |
A |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
32.516 |
49.911 |
74.297 |
1.00 |
7.96 |
A |
ATOM |
5741 |
C |
PHE |
A |
102 |
35.581 |
45.577 |
78.097 |
1.00 |
11.75 |
A |
ATOM |
5742 |
O |
PHE |
A |
102 |
36.801 |
45.487 |
78.213 |
1.00 |
12.38 |
A |
ATOM |
5743 |
N |
PRO |
A |
103 |
34.755 |
44.566 |
78.420 |
1.00 |
12.10 |
A |
ATOM |
5744 |
CD |
PRO |
A |
103 |
33.282 |
44.633 |
78.463 |
1.00 |
12.55 |
A |
ATOM |
5745 |
CA |
PRO |
A |
103 |
35.232 |
43.278 |
78.937 |
1.00 |
13.72 |
A |
ATOM |
5746 |
CB |
PRO |
A |
103 |
34.005 |
42.730 |
79.650 |
1.00 |
14.58 |
A |
ATOM |
5747 |
CG |
PRO |
A |
103 |
32.898 |
43.194 |
78.758 |
1.00 |
13.49 |
A |
ATOM |
5748 |
C |
PRO |
A |
103 |
35.709 |
42.361 |
77.815 |
1.00 |
14.61 |
A |
ATOM |
5749 |
O |
PRO |
A |
103 |
35.101 |
41.325 |
77.544 |
1.00 |
15.36 |
A |
ATOM |
5750 |
N |
TRP |
A |
104 |
36.804 |
42.744 |
77.171 |
1.00 |
14.45 |
A |
ATOM |
5751 |
CA |
TRP |
A |
104 |
37.352 |
41.968 |
76.068 |
1.00 |
15.73 |
A |
ATOM |
5752 |
CB |
TRP |
A |
104 |
38.617 |
42.634 |
75.529 |
1.00 |
15.71 |
A |
ATOM |
5753 |
CG |
TRP |
A |
104 |
38.438 |
44.071 |
75.158 |
1.00 |
13.26 |
A |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
37.817 |
44.572 |
73.972 |
1.00 |
13.03 |
A |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
37.825 |
45.981 |
74.063 |
1.00 |
11.27 |
A |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
37.242 |
43.965 |
72.848 |
1.00 |
12.96 |
A |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
38.797 |
45.163 |
75.895 |
1.00 |
12.87 |
A |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
38.433 |
46.315 |
75.242 |
1.00 |
11.57 |
A |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
37.288 |
46.796 |
73.060 |
1.00 |
13.14 |
A |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
36.707 |
44.776 |
71.853 |
1.00 |
13.80 |
A |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
36.731 |
46.176 |
71.970 |
1.00 |
14.33 |
A |
ATOM |
5762 |
C |
TRP |
A |
104 |
37.670 |
40.516 |
76.424 |
1.00 |
17.38 |
A |
ATOM |
5763 |
O |
TRP |
A |
104 |
37.534 |
39.628 |
75.591 |
1.00 |
18.27 |
A |
ATOM |
5764 |
N |
ALA |
A |
105 |
38.088 |
40.265 |
77.658 |
1.00 |
18.99 |
A |
ATOM |
5765 |
CA |
ALA |
A |
105 |
38.443 |
38.907 |
78.053 |
1.00 |
21.60 |
A |
ATOM |
5766 |
CB |
ALA |
A |
105 |
39.670 |
38.942 |
78.956 |
1.00 |
21.34 |
A |
ATOM |
5767 |
C |
ALA |
A |
105 |
37.330 |
38.111 |
78.726 |
1.00 |
23.19 |
A |
ATOM |
5768 |
O |
ALA |
A |
105 |
37.545 |
36.968 |
79.130 |
1.00 |
23.27 |
A |
ATOM |
5769 |
N |
GLU |
A |
106 |
36.144 |
38.700 |
78.843 |
1.00 |
24.01 |
A |
ATOM |
5770 |
CA |
GLU |
A |
106 |
35.028 |
38.009 |
79.480 |
1.00 |
25.35 |
A |
ATOM |
5771 |
CB |
GLU |
A |
106 |
33.773 |
38.884 |
79.457 |
1.00 |
25.81 |
A |
ATOM |
5772 |
CG |
GLU |
A |
106 |
32.545 |
38.207 |
80.053 |
1.00 |
26.97 |
A |
ATOM |
5773 |
CD |
GLU |
A |
106 |
32.799 |
37.651 |
81.443 |
1.00 |
27.81 |
A |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
33.119 |
38.441 |
82.356 |
1.00 |
28.08 |
A |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
32.681 |
36.419 |
81.620 |
1.00 |
28.82 |
A |
ATOM |
5776 |
C |
GLU |
A |
106 |
34.735 |
36.666 |
78.819 |
1.00 |
25.88 |
A |
ATOM |
5777 |
O |
GLU |
A |
106 |
34.530 |
36.582 |
77.609 |
1.00 |
25.18 |
A |
ATOM |
5778 |
N |
LYS |
A |
107 |
34.713 |
35.618 |
79.637 |
1.00 |
27.20 |
A |
ATOM |
5779 |
CA |
LYS |
A |
107 |
34.462 |
34.255 |
79.179 |
1.00 |
28.80 |
A |
ATOM |
5780 |
CB |
LYS |
A |
107 |
34.794 |
33.252 |
80.292 |
1.00 |
29.93 |
A |
ATOM |
5781 |
CG |
LYS |
A |
107 |
36.017 |
33.600 |
81.132 |
1.00 |
31.92 |
A |
ATOM |
5782 |
CD |
LYS |
A |
107 |
35.769 |
34.840 |
81.986 |
1.00 |
33.29 |
A |
ATOM |
5783 |
CE |
LYS |
A |
107 |
36.998 |
35.235 |
82.776 |
1.00 |
35.16 |
A |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
36.888 |
36.631 |
83.286 |
1.00 |
36.27 |
A |
ATOM |
5785 |
C |
LYS |
A |
107 |
33.000 |
34.085 |
78.779 |
1.00 |
28.48 |
A |
ATOM |
5786 |
O |
LYS |
A |
107 |
32.693 |
33.623 |
77.681 |
1.00 |
29.44 |
A |
ATOM |
5787 |
N |
LYS |
A |
108 |
32.107 |
34.456 |
79.690 |
1.00 |
28.29 |
A |
ATOM |
5788 |
CA |
LYS |
A |
108 |
30.671 |
34.350 |
79.462 |
1.00 |
28.16 |
A |
ATOM |
5789 |
CB |
LYS |
A |
108 |
29.920 |
34.648 |
80.761 |
1.00 |
29.14 |
A |
ATOM |
5790 |
CG |
LYS |
A |
108 |
30.297 |
33.723 |
81.911 |
1.00 |
30.38 |
A |
ATOM |
5791 |
CD |
LYS |
A |
108 |
29.548 |
34.069 |
83.188 |
1.00 |
32.02 |
A |
ATOM |
5792 |
CE |
LYS |
A |
108 |
29.946 |
35.439 |
83.720 |
1.00 |
33.28 |
A |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
31.394 |
35.501 |
84.063 |
1.00 |
34.77 |
A |
ATOM |
5794 |
C |
LYS |
A |
108 |
30.227 |
35.311 |
78.364 |
1.00 |
27.82 |
A |
ATOM |
5795 |
O |
LYS |
A |
108 |
30.147 |
36.521 |
78.576 |
1.00 |
26.75 |
A |
ATOM |
5796 |
N |
GLN |
A |
109 |
29.932 |
34.759 |
77.191 |
1.00 |
27.48 |
A |
ATOM |
5797 |
CA |
GLN |
A |
109 |
29.510 |
35.559 |
76.046 |
1.00 |
27.67 |
A |
ATOM |
5798 |
CB |
GLN |
A |
109 |
29.326 |
34.662 |
74.820 |
1.00 |
29.61 |
A |
ATOM |
5799 |
CG |
GLN |
A |
109 |
30.615 |
34.010 |
74.345 |
1.00 |
32.22 |
A |
ATOM |
5800 |
CD |
GLN |
A |
109 |
31.706 |
35.024 |
74.043 |
1.00 |
33.48 |
A |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
31.559 |
35.869 |
73.161 |
1.00 |
35.21 |
A |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
32.808 |
34.943 |
74.779 |
1.00 |
33.63 |
A |
ATOM |
5803 |
C |
GLN |
A |
109 |
28.238 |
36.362 |
76.290 |
1.00 |
26.71 |
A |
ATOM |
5804 |
O |
GLN |
A |
109 |
28.121 |
37.497 |
75.833 |
1.00 |
25.25 |
A |
ATOM |
5805 |
N |
ASP |
A |
110 |
27.284 |
35.774 |
77.004 |
1.00 |
26.14 |
A |
ATOM |
5806 |
CA |
ASP |
A |
110 |
26.030 |
36.459 |
77.293 |
1.00 |
25.81 |
A |
ATOM |
5807 |
CB |
ASP |
A |
110 |
25.071 |
35.516 |
78.031 |
1.00 |
28.34 |
A |
ATOM |
5808 |
CG |
ASP |
A |
110 |
25.701 |
34.879 |
79.254 |
1.00 |
30.43 |
A |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
25.955 |
35.597 |
80.242 |
1.00 |
31.82 |
A |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
25.945 |
33.654 |
79.226 |
1.00 |
33.72 |
A |
ATOM |
5811 |
C |
ASP |
A |
110 |
26.275 |
37.722 |
78.115 |
1.00 |
24.06 |
A |
ATOM |
5812 |
O |
ASP |
A |
110 |
25.718 |
38.781 |
77.823 |
1.00 |
23.68 |
A |
ATOM |
5813 |
N |
VAL |
A |
111 |
27.117 |
37.610 |
79.138 |
1.00 |
22.43 |
A |
ATOM |
5814 |
CA |
VAL |
A |
111 |
27.433 |
38.748 |
79.994 |
1.00 |
20.34 |
A |
ATOM |
5815 |
CB |
VAL |
A |
111 |
28.257 |
38.311 |
81.226 |
1.00 |
21.27 |
A |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
28.620 |
39.523 |
82.070 |
1.00 |
22.02 |
A |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
27.464 |
37.313 |
82.053 |
1.00 |
22.25 |
A |
ATOM |
5818 |
C |
VAL |
A |
111 |
28.240 |
39.778 |
79.215 |
1.00 |
18.84 |
A |
ATOM |
5819 |
O |
VAL |
A |
111 |
28.005 |
40.980 |
79.309 |
1.00 |
17.77 |
A |
ATOM |
5820 |
N |
LYS |
A |
112 |
29.195 |
39.292 |
78.442 |
1.00 |
17.36 |
A |
ATOM |
5821 |
CA |
LYS |
A |
112 |
30.048 |
40.154 |
77.650 |
1.00 |
16.73 |
A |
ATOM |
5822 |
CB |
LYS |
A |
112 |
31.037 |
39.287 |
76.919 |
1.00 |
17.64 |
A |
ATOM |
5823 |
CG |
LYS |
A |
112 |
32.075 |
40.014 |
76.182 |
1.00 |
18.95 |
A |
ATOM |
5824 |
CD |
LYS |
A |
112 |
32.954 |
38.942 |
75.717 |
1.00 |
21.64 |
A |
ATOM |
5825 |
CE |
LYS |
A |
112 |
34.038 |
39.471 |
74.948 |
1.00 |
22.51 |
A |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
34.561 |
38.318 |
74.176 |
1.00 |
25.51 |
A |
ATOM |
5827 |
C |
LYS |
A |
112 |
29.242 |
40.977 |
76.656 |
1.00 |
15.52 |
A |
ATOM |
5828 |
O |
LYS |
A |
112 |
29.410 |
42.192 |
76.550 |
1.00 |
13.43 |
A |
ATOM |
5829 |
N |
GLU |
A |
113 |
28.366 |
40.298 |
75.925 |
1.00 |
14.92 |
A |
ATOM |
5830 |
CA |
GLU |
A |
113 |
27.520 |
40.947 |
74.938 |
1.00 |
15.67 |
A |
ATOM |
5831 |
CB |
GLU |
A |
113 |
26.626 |
39.904 |
74.271 |
1.00 |
18.01 |
A |
ATOM |
5832 |
CG |
GLU |
A |
113 |
25.680 |
40.492 |
73.263 |
1.00 |
23.31 |
A |
ATOM |
5833 |
CD |
GLU |
A |
113 |
24.799 |
39.452 |
72.598 |
1.00 |
25.74 |
A |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
25.338 |
38.456 |
72.073 |
1.00 |
27.13 |
A |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
23.565 |
39.642 |
72.587 |
1.00 |
28.97 |
A |
ATOM |
5836 |
C |
GLU |
A |
113 |
26.659 |
42.036 |
75.575 |
1.00 |
14.49 |
A |
ATOM |
5837 |
O |
GLU |
A |
113 |
26.556 |
43.148 |
75.053 |
1.00 |
13.30 |
A |
ATOM |
5838 |
N |
GLN |
A |
114 |
26.046 |
41.709 |
76.708 |
1.00 |
14.04 |
A |
ATOM |
5839 |
CA |
GLN |
A |
114 |
25.196 |
42.657 |
77.418 |
1.00 |
14.13 |
A |
ATOM |
5840 |
CB |
GLN |
A |
114 |
24.622 |
42.011 |
78.685 |
1.00 |
15.69 |
A |
ATOM |
5841 |
CG |
GLN |
A |
114 |
23.799 |
42.961 |
79.545 |
1.00 |
18.28 |
A |
ATOM |
5842 |
CD |
GLN |
A |
114 |
22.512 |
43.407 |
78.874 |
1.00 |
19.74 |
A |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
21.856 |
44.344 |
79.330 |
1.00 |
23.56 |
A |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
22.140 |
42.733 |
77.792 |
1.00 |
21.05 |
A |
ATOM |
5845 |
C |
GLN |
A |
114 |
25.966 |
43.920 |
77.793 |
1.00 |
13.10 |
A |
ATOM |
5846 |
O |
GLN |
A |
114 |
25.486 |
45.033 |
77.583 |
1.00 |
12.07 |
A |
ATOM |
5847 |
N |
MET |
A |
115 |
27.161 |
43.744 |
78.347 |
1.00 |
12.86 |
A |
ATOM |
5848 |
CA |
MET |
A |
115 |
27.986 |
44.876 |
78.750 |
1.00 |
11.47 |
A |
ATOM |
5849 |
CB |
MET |
A |
115 |
29.219 |
44.375 |
79.516 |
1.00 |
14.17 |
A |
ATOM |
5850 |
CG |
MET |
A |
115 |
30.295 |
45.433 |
79.785 |
1.00 |
19.50 |
A |
ATOM |
5851 |
SD |
MET |
A |
115 |
31.315 |
45.040 |
81.253 |
1.00 |
26.29 |
A |
ATOM |
5852 |
CE |
MET |
A |
115 |
31.200 |
46.546 |
82.323 |
1.00 |
25.88 |
A |
ATOM |
5853 |
C |
MET |
A |
115 |
28.398 |
45.721 |
77.546 |
1.00 |
10.85 |
A |
ATOM |
5854 |
O |
MET |
A |
115 |
28.364 |
46.951 |
77.602 |
1.00 |
10.44 |
A |
ATOM |
5855 |
N |
PHE |
A |
116 |
28.786 |
45.063 |
76.458 |
1.00 |
10.25 |
A |
ATOM |
5856 |
CA |
PHE |
A |
116 |
29.172 |
45.783 |
75.249 |
1.00 |
9.42 |
A |
ATOM |
5857 |
CB |
PHE |
A |
116 |
29.552 |
44.810 |
74.126 |
1.00 |
9.27 |
A |
ATOM |
5858 |
CG |
PHE |
A |
116 |
31.026 |
44.519 |
74.038 |
1.00 |
11.09 |
A |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
31.687 |
43.865 |
75.070 |
1.00 |
10.32 |
A |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
31.749 |
44.897 |
72.912 |
1.00 |
12.11 |
A |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
33.053 |
43.589 |
74.985 |
1.00 |
12.71 |
A |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
33.113 |
44.629 |
72.814 |
1.00 |
11.83 |
A |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
33.766 |
43.972 |
73.853 |
1.00 |
11.75 |
A |
ATOM |
5864 |
C |
PHE |
A |
116 |
28.013 |
46.652 |
74.772 |
1.00 |
7.94 |
A |
ATOM |
5865 |
O |
PHE |
A |
116 |
28.193 |
47.826 |
74.460 |
1.00 |
8.19 |
A |
ATOM |
6152 |
N |
TYR |
A |
152 |
44.548 |
57.094 |
66.166 |
1.00 |
5.28 |
A |
ATOM |
6153 |
CA |
TYR |
A |
152 |
43.884 |
56.348 |
67.225 |
1.00 |
4.93 |
A |
ATOM |
6154 |
CB |
TYR |
A |
152 |
44.409 |
56.744 |
68.612 |
1.00 |
5.14 |
A |
ATOM |
6155 |
CG |
TYR |
A |
152 |
44.300 |
55.605 |
69.611 |
1.00 |
5.38 |
A |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
44.726 |
54.319 |
69.273 |
1.00 |
6.68 |
A |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
44.646 |
53.268 |
70.177 |
1.00 |
6.58 |
A |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
43.784 |
55.806 |
70.888 |
1.00 |
4.95 |
A |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
43.702 |
54.755 |
71.804 |
1.00 |
4.84 |
A |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
44.136 |
53.492 |
71.439 |
1.00 |
5.18 |
A |
ATOM |
6161 |
OH |
TYR |
A |
152 |
44.081 |
52.443 |
72.330 |
1.00 |
6.87 |
A |
ATOM |
6162 |
C |
TYR |
A |
152 |
42.372 |
56.492 |
67.156 |
1.00 |
5.08 |
A |
ATOM |
6163 |
O |
TYR |
A |
152 |
41.647 |
55.557 |
67.485 |
1.00 |
5.51 |
A |
ATOM |
6164 |
N |
TRP |
A |
153 |
41.884 |
57.656 |
66.736 |
1.00 |
5.39 |
A |
ATOM |
6165 |
CA |
TRP |
A |
153 |
40.442 |
57.818 |
66.600 |
1.00 |
5.76 |
A |
ATOM |
6166 |
CB |
TRP |
A |
153 |
40.073 |
59.242 |
66.171 |
1.00 |
5.97 |
A |
ATOM |
6167 |
CG |
TRP |
A |
153 |
38.665 |
59.325 |
65.648 |
1.00 |
5.87 |
A |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
37.471 |
58.920 |
66.332 |
1.00 |
5.91 |
A |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
36.396 |
59.086 |
65.429 |
1.00 |
5.96 |
A |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
37.207 |
58.420 |
67.615 |
1.00 |
6.22 |
A |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
38.274 |
59.723 |
64.399 |
1.00 |
7.17 |
A |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
36.912 |
59.582 |
64.261 |
1.00 |
7.77 |
A |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
35.072 |
58.781 |
65.772 |
1.00 |
6.91 |
A |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
35.886 |
58.116 |
67.956 |
1.00 |
7.15 |
A |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
34.839 |
58.294 |
67.032 |
1.00 |
7.76 |
A |
ATOM |
6176 |
C |
TRP |
A |
153 |
39.930 |
56.835 |
65.546 |
1.00 |
5.37 |
A |
ATOM |
6177 |
O |
TRP |
A |
153 |
38.934 |
56.144 |
65.756 |
1.00 |
5.17 |
A |
ATOM |
6178 |
N |
GLU |
A |
154 |
40.611 |
56.772 |
64.406 |
1.00 |
5.96 |
A |
ATOM |
6179 |
CA |
GLU |
A |
154 |
40.176 |
55.877 |
63.343 |
1.00 |
5.72 |
A |
ATOM |
6180 |
CB |
GLU |
A |
154 |
41.009 |
56.110 |
62.079 |
1.00 |
6.13 |
A |
ATOM |
6181 |
CG |
GLU |
A |
154 |
40.449 |
55.429 |
60.833 |
1.00 |
6.44 |
A |
ATOM |
6182 |
CD |
GLU |
A |
154 |
40.878 |
53.979 |
60.703 |
1.00 |
6.70 |
A |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
40.229 |
53.235 |
59.938 |
1.00 |
8.97 |
A |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
41.876 |
53.586 |
61.345 |
1.00 |
8.06 |
A |
ATOM |
6185 |
C |
GLU |
A |
154 |
40.247 |
54.414 |
63.774 |
1.00 |
5.12 |
A |
ATOM |
6186 |
O |
GLU |
A |
154 |
39.355 |
53.625 |
63.467 |
1.00 |
6.20 |
A |
ATOM |
6187 |
N |
ILE |
A |
155 |
41.305 |
54.059 |
64.497 |
1.00 |
5.18 |
A |
ATOM |
6188 |
CA |
ILE |
A |
155 |
41.489 |
52.696 |
64.975 |
1.00 |
4.86 |
A |
ATOM |
6189 |
CB |
ILE |
A |
155 |
42.901 |
52.549 |
65.580 |
1.00 |
5.47 |
A |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
42.987 |
51.319 |
66.475 |
1.00 |
6.67 |
A |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
43.925 |
52.501 |
64.440 |
1.00 |
5.20 |
A |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
45.357 |
52.705 |
64.879 |
1.00 |
6.49 |
A |
ATOM |
6193 |
C |
ILE |
A |
155 |
40.413 |
52.296 |
65.987 |
1.00 |
5.58 |
A |
ATOM |
6194 |
O |
ILE |
A |
155 |
39.780 |
51.247 |
65.851 |
1.00 |
5.20 |
A |
ATOM |
6195 |
N |
CYS |
A |
156 |
40.196 |
53.136 |
66.992 |
1.00 |
4.65 |
A |
ATOM |
6196 |
CA |
CYS |
A |
156 |
39.190 |
52.838 |
68.007 |
1.00 |
5.13 |
A |
ATOM |
6197 |
CB |
CYS |
A |
156 |
39.216 |
53.888 |
69.121 |
1.00 |
5.71 |
A |
ATOM |
6198 |
SG |
CYS |
A |
156 |
40.667 |
53.829 |
70.192 |
1.00 |
6.49 |
A |
ATOM |
6199 |
C |
CYS |
A |
156 |
37.789 |
52.779 |
67.420 |
1.00 |
5.66 |
A |
ATOM |
6200 |
O |
CYS |
A |
156 |
37.026 |
51.855 |
67.710 |
1.00 |
6.21 |
A |
ATOM |
6201 |
N |
SER |
A |
157 |
37.448 |
53.766 |
66.594 |
1.00 |
6.00 |
A |
ATOM |
6202 |
CA |
SER |
A |
157 |
36.114 |
53.797 |
66.009 |
1.00 |
5.99 |
A |
ATOM |
6203 |
CB |
SER |
A |
157 |
35.843 |
55.146 |
65.317 |
1.00 |
6.89 |
A |
ATOM |
6204 |
OG |
SER |
A |
157 |
36.766 |
55.420 |
64.282 |
1.00 |
6.66 |
A |
ATOM |
6205 |
C |
SER |
A |
157 |
35.868 |
52.633 |
65.053 |
1.00 |
6.25 |
A |
ATOM |
6206 |
O |
SER |
A |
157 |
34.746 |
52.146 |
64.952 |
1.00 |
6.68 |
A |
ATOM |
6207 |
N |
THR |
A |
158 |
36.902 |
52.170 |
64.358 |
1.00 |
6.04 |
A |
ATOM |
6208 |
CA |
THR |
A |
158 |
36.717 |
51.043 |
63.452 |
1.00 |
6.77 |
A |
ATOM |
6209 |
CB |
THR |
A |
158 |
38.027 |
50.693 |
62.720 |
1.00 |
7.66 |
A |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
38.194 |
51.589 |
61.617 |
1.00 |
8.90 |
A |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
38.004 |
49.253 |
62.214 |
1.00 |
8.99 |
A |
ATOM |
6212 |
C |
THR |
A |
158 |
36.219 |
49.827 |
64.225 |
1.00 |
7.46 |
A |
ATOM |
6213 |
O |
THR |
A |
158 |
35.299 |
49.137 |
63.792 |
1.00 |
7.44 |
A |
ATOM |
6214 |
N |
THR |
A |
159 |
36.813 |
49.572 |
65.380 |
1.00 |
6.82 |
A |
ATOM |
6215 |
CA |
THR |
A |
159 |
36.400 |
48.428 |
66.174 |
1.00 |
8.47 |
A |
ATOM |
6216 |
CB |
THR |
A |
159 |
37.480 |
48.070 |
67.201 |
1.00 |
8.32 |
A |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
38.641 |
47.615 |
66.494 |
1.00 |
9.56 |
A |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
37.005 |
46.971 |
68.140 |
1.00 |
8.90 |
A |
ATOM |
6219 |
C |
THR |
A |
159 |
35.049 |
48.651 |
66.849 |
1.00 |
7.49 |
A |
ATOM |
6220 |
O |
THR |
A |
159 |
34.222 |
47.740 |
66.900 |
1.00 |
8.33 |
A |
ATOM |
6221 |
N |
LEU |
A |
160 |
34.804 |
49.857 |
67.354 |
1.00 |
6.78 |
A |
ATOM |
6222 |
CA |
LEU |
A |
160 |
33.519 |
50.125 |
67.988 |
1.00 |
6.38 |
A |
ATOM |
6223 |
CB |
LEU |
A |
160 |
33.498 |
51.531 |
68.588 |
1.00 |
6.84 |
A |
ATOM |
6224 |
CG |
LEU |
A |
160 |
34.480 |
51.773 |
69.736 |
1.00 |
8.63 |
A |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
34.360 |
53.209 |
70.217 |
1.00 |
11.20 |
A |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
34.194 |
50.799 |
70.871 |
1.00 |
11.27 |
A |
ATOM |
6227 |
C |
LEU |
A |
160 |
32.384 |
49.979 |
66.974 |
1.00 |
7.24 |
A |
ATOM |
6228 |
O |
LEU |
A |
160 |
31.300 |
49.503 |
67.311 |
1.00 |
7.48 |
A |
ATOM |
6229 |
N |
LEU |
A |
161 |
32.642 |
50.383 |
65.733 |
1.00 |
6.66 |
A |
ATOM |
6230 |
CA |
LEU |
A |
161 |
31.641 |
50.297 |
64.673 |
1.00 |
8.42 |
A |
ATOM |
6231 |
CB |
LEU |
A |
161 |
32.156 |
50.972 |
63.403 |
1.00 |
9.08 |
A |
ATOM |
6232 |
CG |
LEU |
A |
161 |
32.054 |
52.499 |
63.404 |
1.00 |
8.17 |
A |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
32.903 |
53.074 |
62.283 |
1.00 |
9.90 |
A |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
30.594 |
52.915 |
63.251 |
1.00 |
9.54 |
A |
ATOM |
6235 |
C |
LEU |
A |
161 |
31.232 |
48.862 |
64.366 |
1.00 |
8.60 |
A |
ATOM |
6236 |
O |
LEU |
A |
161 |
30.132 |
48.619 |
63.874 |
1.00 |
9.07 |
A |
ATOM |
6237 |
N |
VAL |
A |
162 |
32.116 |
47.914 |
64.652 |
1.00 |
8.54 |
A |
ATOM |
6238 |
CA |
VAL |
A |
162 |
31.806 |
46.511 |
64.421 |
1.00 |
10.19 |
A |
ATOM |
6239 |
CB |
VAL |
A |
162 |
33.025 |
45.605 |
64.724 |
1.00 |
9.33 |
A |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
32.617 |
44.139 |
64.661 |
1.00 |
12.54 |
A |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
34.147 |
45.883 |
63.735 |
1.00 |
10.70 |
A |
ATOM |
6242 |
C |
VAL |
A |
162 |
30.656 |
46.102 |
65.337 |
1.00 |
10.61 |
A |
ATOM |
6243 |
O |
VAL |
A |
162 |
29.756 |
45.367 |
64.933 |
1.00 |
12.29 |
A |
ATOM |
6244 |
N |
PHE |
A |
163 |
30.685 |
46.593 |
66.574 |
1.00 |
9.62 |
A |
ATOM |
6245 |
CA |
PHE |
A |
163 |
29.657 |
46.250 |
67.550 |
1.00 |
9.97 |
A |
ATOM |
6246 |
CB |
PHE |
A |
163 |
30.284 |
46.124 |
68.940 |
1.00 |
10.40 |
A |
ATOM |
6247 |
CG |
PHE |
A |
163 |
31.388 |
45.111 |
69.010 |
1.00 |
13.43 |
A |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
32.699 |
45.461 |
68.698 |
1.00 |
14.97 |
A |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
31.112 |
43.796 |
69.360 |
1.00 |
16.10 |
A |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
33.718 |
44.511 |
68.735 |
1.00 |
16.79 |
A |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
32.118 |
42.846 |
69.398 |
1.00 |
17.88 |
A |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
33.428 |
43.199 |
69.086 |
1.00 |
18.31 |
A |
ATOM |
6253 |
C |
PHE |
A |
163 |
28.476 |
47.214 |
67.605 |
1.00 |
9.96 |
A |
ATOM |
6254 |
O |
PHE |
A |
163 |
27.414 |
46.865 |
68.116 |
1.00 |
10.98 |
A |
ATOM |
6528 |
N |
THR |
A |
197 |
41.100 |
40.642 |
60.451 |
1.00 |
6.55 |
A |
ATOM |
6529 |
CA |
THR |
A |
197 |
40.708 |
40.042 |
61.711 |
1.00 |
6.54 |
A |
ATOM |
6530 |
CB |
THR |
A |
197 |
41.867 |
40.118 |
62.727 |
1.00 |
7.01 |
A |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
42.283 |
41.481 |
62.890 |
1.00 |
6.91 |
A |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
43.048 |
39.300 |
62.229 |
1.00 |
7.77 |
A |
ATOM |
6533 |
C |
THR |
A |
197 |
39.489 |
40.776 |
62.251 |
1.00 |
6.16 |
A |
ATOM |
6534 |
O |
THR |
A |
197 |
39.252 |
41.929 |
61.910 |
1.00 |
7.50 |
A |
ATOM |
6535 |
N |
LYS |
A |
198 |
38.708 |
40.110 |
63.091 |
1.00 |
7.12 |
A |
ATOM |
6536 |
CA |
LYS |
A |
198 |
37.522 |
40.742 |
63.647 |
1.00 |
7.25 |
A |
ATOM |
6537 |
CB |
LYS |
A |
198 |
36.729 |
39.729 |
64.481 |
1.00 |
9.37 |
A |
ATOM |
6538 |
CG |
LYS |
A |
198 |
35.536 |
40.316 |
65.222 |
1.00 |
12.51 |
A |
ATOM |
6539 |
CD |
LYS |
A |
198 |
34.529 |
40.978 |
64.294 |
1.00 |
16.24 |
A |
ATOM |
6540 |
CE |
LYS |
A |
198 |
33.878 |
39.974 |
63.358 |
1.00 |
16.57 |
A |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
32.726 |
40.573 |
62.615 |
1.00 |
16.81 |
A |
ATOM |
6542 |
C |
LYS |
A |
198 |
37.910 |
41.945 |
64.507 |
1.00 |
7.23 |
A |
ATOM |
6543 |
O |
LYS |
A |
198 |
37.377 |
43.043 |
64.331 |
1.00 |
8.34 |
A |
ATOM |
6544 |
N |
LEU |
A |
199 |
38.853 |
41.729 |
65.419 |
1.00 |
7.65 |
A |
ATOM |
6545 |
CA |
LEU |
A |
199 |
39.316 |
42.775 |
66.325 |
1.00 |
7.68 |
A |
ATOM |
6546 |
CB |
LEU |
A |
199 |
39.247 |
42.283 |
67.772 |
1.00 |
10.39 |
A |
ATOM |
6547 |
CG |
LEU |
A |
199 |
37.902 |
41.731 |
68.242 |
1.00 |
12.70 |
A |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
38.057 |
41.197 |
69.652 |
1.00 |
15.45 |
A |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
36.837 |
42.817 |
68.182 |
1.00 |
14.13 |
A |
ATOM |
6550 |
C |
LEU |
A |
199 |
40.735 |
43.235 |
66.028 |
1.00 |
7.07 |
A |
ATOM |
6551 |
OT1 |
LEU |
A |
199 |
41.384 |
42.659 |
65.131 |
1.00 |
7.11 |
A |
ATOM |
6552 |
OT2 |
LEU |
A |
199 |
41.186 |
44.168 |
66.721 |
1.00 |
8.05 |
A |
ATOM |
6613 |
N1 |
GSH |
H |
200 |
47.240 |
49.426 |
78.365 |
1.00 |
5.76 |
H |
ATOM |
6614 |
CA1 |
GSH |
H |
200 |
48.071 |
48.329 |
77.882 |
1.00 |
6.49 |
H |
ATOM |
6615 |
C1 |
GSH |
H |
200 |
48.552 |
48.593 |
76.433 |
1.00 |
5.96 |
H |
ATOM |
6616 |
O11 |
GSH |
H |
200 |
47.961 |
49.446 |
75.764 |
1.00 |
6.16 |
H |
ATOM |
6617 |
O12 |
GSH |
H |
200 |
49.623 |
47.939 |
76.023 |
1.00 |
5.89 |
H |
ATOM |
6618 |
CB1 |
GSH |
H |
200 |
47.193 |
47.058 |
77.940 |
1.00 |
7.07 |
H |
ATOM |
6619 |
CG1 |
GSH |
H |
200 |
47.971 |
45.743 |
77.668 |
1.00 |
7.43 |
H |
ATOM |
6620 |
CD1 |
GSH |
H |
200 |
46.947 |
44.584 |
77.671 |
1.00 |
7.37 |
H |
ATOM |
6621 |
OE1 |
GSH |
H |
200 |
46.223 |
44.381 |
78.652 |
1.00 |
7.91 |
H |
ATOM |
6622 |
N2 |
GSH |
H |
200 |
47.074 |
43.729 |
76.649 |
1.00 |
6.87 |
H |
ATOM |
6623 |
CA2 |
GSH |
H |
200 |
46.310 |
42.477 |
76.623 |
1.00 |
6.95 |
H |
ATOM |
6624 |
C2 |
GSH |
H |
200 |
47.130 |
41.349 |
77.273 |
1.00 |
8.08 |
H |
ATOM |
6625 |
O2 |
GSH |
H |
200 |
48.345 |
41.290 |
77.178 |
1.00 |
8.04 |
H |
ATOM |
6626 |
CB2 |
GSH |
H |
200 |
46.025 |
42.056 |
75.164 |
1.00 |
7.00 |
H |
ATOM |
6627 |
SG2 |
GSH |
H |
200 |
44.867 |
43.164 |
74.287 |
1.00 |
8.63 |
H |
ATOM |
6628 |
N3 |
GSH |
H |
200 |
46.473 |
40.585 |
78.154 |
1.00 |
10.11 |
H |
ATOM |
6629 |
CA3 |
GSH |
H |
200 |
47.063 |
39.404 |
78.824 |
1.00 |
12.26 |
H |
ATOM |
6630 |
C3 |
GSH |
H |
200 |
46.455 |
39.280 |
80.221 |
1.00 |
14.36 |
H |
ATOM |
6631 |
O31 |
GSH |
H |
200 |
46.823 |
38.312 |
80.902 |
1.00 |
17.27 |
H |
ATOM |
6632 |
O32 |
GSH |
H |
200 |
45.621 |
40.144 |
80.600 |
1.00 |
17.25 |
H |
ATOM |
6677 |
OH2 |
WAT |
S |
1 |
45.932 |
55.216 |
78.140 |
1.00 |
11.00 |
S |
ATOM |
6678 |
OH2 |
WAT |
S |
2 |
44.001 |
53.704 |
79.474 |
1.00 |
8.61 |
S |
ATOM |
6679 |
OH2 |
WAT |
S |
3 |
45.044 |
54.147 |
82.027 |
1.00 |
9.47 |
S |
ATOM |
6680 |
OH2 |
WAT |
S |
4 |
47.066 |
56.184 |
80.641 |
1.00 |
11.51 |
S |
ATOM |
6681 |
OH2 |
WAT |
S |
5 |
44.400 |
56.542 |
80.238 |
1.00 |
6.66 |
S |
ATOM |
6682 |
OH2 |
WAT |
S |
6 |
46.942 |
53.261 |
80.035 |
1.00 |
7.38 |
S |
ATOM |
6689 |
OH2 |
WAT |
S |
13 |
44.802 |
42.314 |
61.828 |
1.00 |
6.00 |
S |
ATOM |
6692 |
OH2 |
WAT |
S |
16 |
46.602 |
44.435 |
61.593 |
1.00 |
6.08 |
S |
ATOM |
6693 |
OH2 |
WAT |
S |
17 |
51.844 |
46.380 |
76.801 |
1.00 |
5.53 |
S |
ATOM |
6694 |
OH2 |
WAT |
S |
18 |
46.016 |
50.205 |
68.769 |
1.00 |
4.93 |
S |
ATOM |
6697 |
OH2 |
WAT |
S |
21 |
46.289 |
50.659 |
71.607 |
1.00 |
6.24 |
S |
ATOM |
6699 |
OH2 |
WAT |
S |
23 |
51.226 |
46.303 |
81.832 |
1.00 |
7.26 |
S |
ATOM |
6701 |
OH2 |
WAT |
S |
25 |
49.891 |
52.595 |
76.855 |
1.00 |
6.35 |
S |
ATOM |
6702 |
OH2 |
WAT |
S |
26 |
52.165 |
42.023 |
65.879 |
1.00 |
6.86 |
S |
ATOM |
6703 |
OH2 |
WAT |
S |
27 |
54.167 |
43.535 |
79.506 |
1.00 |
6.85 |
S |
ATOM |
6714 |
OH2 |
WAT |
S |
38 |
47.233 |
52.192 |
77.524 |
1.00 |
8.27 |
S |
ATOM |
6718 |
OH2 |
WAT |
S |
42 |
48.563 |
46.768 |
84.725 |
1.00 |
8.57 |
S |
ATOM |
6719 |
OH2 |
WAT |
S |
43 |
58.660 |
41.683 |
70.327 |
1.00 |
7.93 |
S |
ATOM |
6733 |
OH2 |
WAT |
S |
57 |
48.526 |
46.955 |
81.917 |
1.00 |
7.89 |
S |
ATOM |
6748 |
OH2 |
WAT |
S |
72 |
39.916 |
39.195 |
66.189 |
1.00 |
12.20 |
S |
ATOM |
6762 |
OH2 |
WAT |
S |
88 |
52.225 |
56.098 |
78.210 |
1.00 |
11.05 |
S |
ATOM |
6783 |
OH2 |
WAT |
S |
109 |
41.879 |
49.920 |
62.315 |
1.00 |
9.83 |
S |
ATOM |
6784 |
OH2 |
WAT |
S |
110 |
41.843 |
43.595 |
60.246 |
1.00 |
7.19 |
S |
ATOM |
6788 |
OH2 |
WAT |
S |
114 |
50.291 |
44.524 |
83.978 |
1.00 |
11.55 |
S |
ATOM |
6791 |
OH2 |
WAT |
S |
117 |
45.204 |
49.983 |
75.259 |
1.00 |
11.59 |
S |
ATOM |
6794 |
OH2 |
WAT |
S |
121 |
36.093 |
43.586 |
61.844 |
1.00 |
10.06 |
S |
ATOM |
6812 |
OH2 |
WAT |
S |
140 |
46.502 |
35.525 |
67.908 |
1.00 |
16.03 |
S |
ATOM |
6818 |
OH2 |
WAT |
S |
146 |
46.548 |
45.276 |
81.207 |
1.00 |
11.87 |
S |
ATOM |
6848 |
OH2 |
WAT |
S |
177 |
47.305 |
35.643 |
80.850 |
1.00 |
15.13 |
S |
ATOM |
6851 |
OH2 |
WAT |
S |
180 |
42.393 |
49.873 |
82.928 |
1.00 |
14.77 |
S |
ATOM |
6888 |
OH2 |
WAT |
S |
219 |
49.260 |
57.057 |
77.605 |
1.00 |
11.44 |
S |
ATOM |
6894 |
OH2 |
WAT |
S |
225 |
39.600 |
37.346 |
63.532 |
1.00 |
14.35 |
S |
ATOM |
6908 |
OH2 |
WAT |
S |
239 |
44.676 |
42.614 |
80.064 |
1.00 |
17.81 |
S |
ATOM |
6923 |
OH2 |
WAT |
S |
256 |
51.755 |
42.823 |
85.972 |
1.00 |
15.23 |
S |
ATOM |
6936 |
OH2 |
WAT |
S |
269 |
43.744 |
50.995 |
80.612 |
1.00 |
22.66 |
S |
ATOM |
6977 |
OH2 |
WAT |
S |
310 |
41.854 |
37.441 |
65.183 |
1.00 |
14.71 |
S |
ATOM |
6988 |
OH2 |
WAT |
S |
321 |
52.715 |
31.754 |
68.251 |
1.00 |
25.02 |
S |
ATOM |
7004 |
OH2 |
WAT |
S |
338 |
47.955 |
36.940 |
60.191 |
1.00 |
23.06 |
S |
ATOM |
7020 |
OH2 |
WAT |
S |
356 |
52.697 |
38.727 |
84.915 |
1.00 |
25.89 |
S |
ATOM |
7035 |
OH2 |
WAT |
S |
371 |
52.695 |
46.000 |
79.504 |
1.00 |
6.20 |
S |
ATOM |
7044 |
OH2 |
WAT |
S |
380 |
45.939 |
45.946 |
85.168 |
1.00 |
15.59 |
S |
ATOM |
7069 |
OH2 |
WAT |
S |
409 |
58.139 |
37.692 |
70.855 |
1.00 |
19.42 |
S |
ATOM |
7121 |
OH2 |
WAT |
S |
463 |
44.454 |
49.864 |
78.620 |
1.00 |
17.85 |
S |
ATOM |
7141 |
OH2 |
WAT |
S |
486 |
38.783 |
46.154 |
59.815 |
1.00 |
18.01 |
S |
ATOM |
7185 |
OH2 |
WAT |
S |
533 |
55.398 |
32.865 |
68.634 |
1.00 |
26.34 |
S |
ATOM |
7218 |
OH2 |
WAT |
S |
568 |
39.362 |
52.746 |
81.658 |
1.00 |
20.82 |
S |
ATOM |
7276 |
OH2 |
WAT |
S |
630 |
54.033 |
36.951 |
83.283 |
1.00 |
30.87 |
S |
ATOM |
7291 |
OH2 |
WAT |
S |
647 |
59.120 |
37.414 |
73.286 |
1.00 |
30.13 |
S |
ATOM |
7297 |
OH2 |
WAT |
S |
653 |
43.339 |
48.112 |
81.026 |
1.00 |
26.20 |
S |
ATOM |
7315 |
OH2 |
WAT |
S |
677 |
41.879 |
54.425 |
82.374 |
1.00 |
22.86 |
S |
ATOM |
7345 |
OH2 |
WAT |
S |
707 |
49.594 |
41.237 |
85.951 |
1.00 |
26.42 |
S |
ATOM |
7396 |
OH2 |
WAT |
S |
760 |
33.326 |
48.774 |
82.446 |
1.00 |
41.01 |
S |
ATOM |
7397 |
OH2 |
WAT |
S |
761 |
44.428 |
46.156 |
82.727 |
1.00 |
21.46 |
S |
ATOM |
7432 |
OH2 |
WAT |
S |
798 |
37.760 |
35.933 |
64.870 |
1.00 |
24.86 |
S |
ATOM |
7447 |
OH2 |
WAT |
S |
815 |
44.586 |
33.922 |
63.810 |
1.00 |
27.17 |
S |
ATOM |
7451 |
OH2 |
WAT |
S |
819 |
42.590 |
49.990 |
76.103 |
1.00 |
37.29 |
S |
ATOM |
7491 |
OH2 |
WAT |
S |
865 |
49.313 |
34.257 |
64.053 |
1.00 |
23.25 |
S |
ATOM |
7551 |
OH2 |
WAT |
S |
936 |
38.403 |
45.727 |
86.224 |
1.00 |
34.77 |
S |
ATOM |
7559 |
OH2 |
WAT |
S |
947 |
39.267 |
36.269 |
81.440 |
1.00 |
35.93 |
S |
ATOM |
7562 |
OH2 |
WAT |
S |
950 |
46.311 |
34.424 |
83.694 |
1.00 |
37.47 |
S |
ATOM |
7566 |
OH2 |
WAT |
S |
954 |
49.354 |
35.076 |
61.559 |
1.00 |
34.30 |
S |
ATOM |
7573 |
OH2 |
WAT |
S |
962 |
41.074 |
48.947 |
64.727 |
1.00 |
6.62 |
S |
ATOM |
7576 |
OH2 |
WAT |
S |
965 |
42.360 |
48.144 |
66.991 |
1.00 |
8.16 |
S |
ATOM |
7580 |
OH2 |
WAT |
S |
969 |
40.070 |
46.736 |
70.359 |
1.00 |
15.63 |
S |
ATOM |
7581 |
OH2 |
WAT |
S |
970 |
40.472 |
46.466 |
67.816 |
1.00 |
11.14 |
S |
ATOM |
7584 |
OH2 |
WAT |
S |
974 |
46.488 |
28.447 |
69.078 |
1.00 |
22.47 |
S |
ATOM |
7664 |
OH2 |
WAT |
S |
1104 |
49.140 |
39.068 |
82.273 |
1.00 |
19.35 |
S |
ATOM |
7673 |
OH2 |
WAT |
S |
1117 |
49.385 |
36.341 |
85.538 |
1.00 |
28.59 |
S |
ATOM |
7675 |
OH2 |
WAT |
S |
1119 |
41.071 |
46.806 |
79.458 |
1.00 |
26.70 |
S |
ATOM |
7676 |
OH2 |
WAT |
S |
1120 |
38.224 |
37.620 |
67.988 |
1.00 |
32.98 |
S |
ATOM |
7678 |
OH2 |
WAT |
S |
1123 |
41.996 |
35.058 |
66.930 |
1.00 |
32.93 |
S |
ATOM |
7683 |
OH2 |
WAT |
S |
1129 |
47.152 |
42.956 |
85.367 |
1.00 |
37.94 |
S |
ATOM |
7722 |
OH2 |
WAT |
S |
1180 |
36.068 |
36.649 |
75.341 |
1.00 |
43.94 |
S |
ATOM |
7732 |
OH2 |
WAT |
S |
1191 |
42.482 |
52.407 |
81.689 |
1.00 |
21.38 |
S |
ATOM |
7733 |
OH2 |
WAT |
S |
1192 |
39.535 |
50.355 |
82.874 |
1.00 |
32.24 |
S |
ATOM |
7737 |
OH2 |
WAT |
S |
1196 |
50.213 |
38.953 |
84.774 |
1.00 |
27.44 |
S |
ATOM |
7843 |
OH2 |
WAT |
S |
1339 |
35.818 |
45.711 |
82.635 |
1.00 |
44.01 |
S |
ATOM |
7853 |
OH2 |
WAT |
S |
1354 |
46.962 |
39.117 |
87.092 |
1.00 |
36.93 |
S |
ATOM |
7874 |
OH2 |
WAT |
S |
1383 |
32.545 |
41.137 |
82.654 |
1.00 |
33.68 |
S |
ATOM |
7884 |
OH2 |
WAT |
S |
1401 |
45.736 |
37.693 |
83.360 |
1.00 |
44.69 |
S |
ATOM |
7926 |
OH2 |
WAT |
S |
1447 |
45.667 |
30.953 |
67.849 |
1.00 |
35.68 |
S |
ATOM |
7927 |
OH2 |
WAT |
S |
1448 |
55.702 |
38.128 |
82.442 |
1.00 |
36.01 |
S |
ATOM |
7948 |
OH2 |
WAT |
S |
1474 |
44.404 |
43.677 |
86.488 |
1.00 |
42.40 |
S |
ATOM |
7952 |
OH2 |
WAT |
S |
1480 |
40.448 |
40.603 |
87.707 |
1.00 |
38.53 |
S |
ATOM |
7954 |
OH2 |
WAT |
S |
1482 |
48.226 |
42.042 |
87.524 |
1.00 |
41.24 |
S |
ATOM |
7996 |
OH2 |
WAT |
S |
1530 |
41.155 |
35.723 |
62.708 |
1.00 |
35.51 |
S |
ATOM |
8019 |
OH2 |
WAT |
S |
1558 |
44.128 |
34.781 |
68.900 |
1.00 |
42.94 |
S |
ATOM |
8020 |
OH2 |
WAT |
S |
1559 |
43.571 |
35.946 |
71.823 |
1.00 |
42.74 |
S |
ATOM |
8127 |
C1 |
U46 |
X |
201 |
41.871 |
38.419 |
75.254 |
1.00 |
41.44 |
X |
ATOM |
8128 |
C2 |
U46 |
X |
201 |
40.838 |
38.243 |
74.213 |
1.00 |
41.53 |
X |
ATOM |
8129 |
C3 |
U46 |
X |
201 |
40.546 |
39.776 |
73.818 |
1.00 |
41.45 |
X |
ATOM |
8130 |
C4 |
U46 |
X |
201 |
42.010 |
40.338 |
73.856 |
1.00 |
41.07 |
X |
ATOM |
8131 |
C5 |
U46 |
X |
201 |
42.792 |
39.065 |
74.274 |
1.00 |
41.56 |
X |
ATOM |
8132 |
O6 |
U46 |
X |
201 |
42.922 |
38.036 |
73.307 |
1.00 |
41.32 |
X |
ATOM |
8133 |
C7 |
U46 |
X |
201 |
41.676 |
37.405 |
73.215 |
1.00 |
41.76 |
X |
ATOM |
8134 |
C14 |
U46 |
X |
201 |
42.399 |
41.346 |
74.949 |
1.00 |
40.61 |
X |
ATOM |
8135 |
C16 |
U46 |
X |
201 |
41.701 |
42.023 |
75.922 |
1.00 |
40.28 |
X |
ATOM |
8136 |
C18 |
U46 |
X |
201 |
42.762 |
42.478 |
76.971 |
1.00 |
40.54 |
X |
ATOM |
8137 |
C20 |
U46 |
X |
201 |
42.973 |
41.118 |
77.340 |
1.00 |
40.10 |
X |
ATOM |
8138 |
C21 |
U46 |
X |
201 |
43.792 |
40.318 |
78.232 |
1.00 |
39.99 |
X |
ATOM |
8139 |
C24 |
U46 |
X |
201 |
43.404 |
38.935 |
77.644 |
1.00 |
40.60 |
X |
ATOM |
8140 |
C27 |
U46 |
X |
201 |
43.941 |
37.551 |
78.094 |
1.00 |
41.02 |
X |
ATOM |
8141 |
C30 |
U46 |
X |
201 |
43.168 |
36.476 |
77.301 |
1.00 |
41.85 |
X |
ATOM |
8142 |
O36 |
U46 |
X |
201 |
42.312 |
43.249 |
77.943 |
1.00 |
40.95 |
X |
ATOM |
8143 |
C39 |
U46 |
X |
201 |
39.913 |
39.986 |
72.481 |
1.00 |
41.80 |
X |
ATOM |
8144 |
C41 |
U46 |
X |
201 |
38.932 |
38.921 |
72.298 |
1.00 |
42.50 |
X |
ATOM |
8145 |
C44 |
U46 |
X |
201 |
37.645 |
38.825 |
72.466 |
1.00 |
43.42 |
X |
ATOM |
8146 |
C46 |
U46 |
X |
201 |
36.596 |
39.762 |
72.916 |
1.00 |
43.47 |
X |
ATOM |
8147 |
C48 |
U46 |
X |
201 |
35.496 |
39.760 |
71.872 |
1.00 |
44.38 |
X |
ATOM |
8148 |
C51 |
U46 |
X |
201 |
34.385 |
40.531 |
72.463 |
1.00 |
45.27 |
X |
ATOM |
8149 |
C54 |
U46 |
X |
201 |
33.109 |
40.654 |
71.681 |
1.00 |
45.90 |
X |
ATOM |
8150 |
O57 |
U46 |
X |
201 |
32.181 |
41.256 |
72.479 |
1.00 |
46.00 |
X |
ATOM |
8151 |
O58 |
U46 |
X |
201 |
32.887 |
40.235 |
70.603 |
1.00 |
46.55 |
X |
|
-
TABLE 5 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with calcium, |
glutathione and 9,11-dideoxy-9α,11α- |
epoxymethanoprostaglandine F2α(U44) |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
24.336 |
32.545 |
34.593 |
1.00 |
23.71 |
A |
ATOM |
4967 |
CA |
TYR |
A |
8 |
22.908 |
32.784 |
34.729 |
1.00 |
23.39 |
A |
ATOM |
4968 |
CB |
TYR |
A |
8 |
22.170 |
31.441 |
34.781 |
1.00 |
22.82 |
A |
ATOM |
4969 |
CG |
TYR |
A |
8 |
20.663 |
31.544 |
34.721 |
1.00 |
22.10 |
A |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
20.024 |
32.094 |
33.606 |
1.00 |
21.74 |
A |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
18.634 |
32.184 |
33.541 |
1.00 |
21.38 |
A |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
19.872 |
31.084 |
35.777 |
1.00 |
21.64 |
A |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
18.481 |
31.170 |
35.723 |
1.00 |
21.52 |
A |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
17.872 |
31.721 |
34.602 |
1.00 |
21.33 |
A |
ATOM |
4975 |
OH |
TYR |
A |
8 |
16.504 |
31.801 |
34.542 |
1.00 |
21.12 |
A |
ATOM |
4976 |
C |
TYR |
A |
8 |
22.659 |
33.572 |
36.016 |
1.00 |
23.34 |
A |
ATOM |
4977 |
O |
TYR |
A |
8 |
23.597 |
33.866 |
36.755 |
1.00 |
23.65 |
A |
ATOM |
4978 |
N |
PHE |
A |
9 |
21.402 |
33.921 |
36.273 |
1.00 |
23.18 |
A |
ATOM |
4979 |
CA |
PHE |
A |
9 |
21.042 |
34.657 |
37.478 |
1.00 |
23.08 |
A |
ATOM |
4980 |
CB |
PHE |
A |
9 |
19.635 |
35.237 |
37.348 |
1.00 |
23.27 |
A |
ATOM |
4981 |
CG |
PHE |
A |
9 |
19.527 |
36.344 |
36.342 |
1.00 |
23.76 |
A |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
18.642 |
36.248 |
35.273 |
1.00 |
23.77 |
A |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
20.298 |
37.494 |
36.471 |
1.00 |
24.01 |
A |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
18.524 |
37.286 |
34.346 |
1.00 |
24.05 |
A |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
20.190 |
38.535 |
35.552 |
1.00 |
24.19 |
A |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
19.300 |
38.431 |
34.488 |
1.00 |
24.13 |
A |
ATOM |
4987 |
C |
PHE |
A |
9 |
21.085 |
33.712 |
38.666 |
1.00 |
22.94 |
A |
ATOM |
4988 |
O |
PHE |
A |
9 |
21.182 |
32.497 |
38.491 |
1.00 |
22.79 |
A |
ATOM |
4989 |
N |
ASN |
A |
10 |
21.014 |
34.263 |
39.873 |
1.00 |
22.88 |
A |
ATOM |
4990 |
CA |
ASN |
A |
10 |
21.039 |
33.427 |
41.064 |
1.00 |
22.79 |
A |
ATOM |
4991 |
CB |
ASN |
A |
10 |
21.504 |
34.217 |
42.288 |
1.00 |
22.91 |
A |
ATOM |
4992 |
CG |
ASN |
A |
10 |
21.505 |
33.369 |
43.546 |
1.00 |
22.98 |
A |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
21.877 |
32.191 |
43.508 |
1.00 |
22.82 |
A |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
21.091 |
33.957 |
44.666 |
1.00 |
23.07 |
A |
ATOM |
4995 |
C |
ASN |
A |
10 |
19.674 |
32.817 |
41.345 |
1.00 |
22.64 |
A |
ATOM |
4996 |
O |
ASN |
A |
10 |
18.942 |
33.272 |
42.225 |
1.00 |
22.44 |
A |
ATOM |
4997 |
N |
MET |
A |
11 |
19.340 |
31.785 |
40.576 |
1.00 |
22.50 |
A |
ATOM |
4998 |
CA |
MET |
A |
11 |
18.080 |
31.070 |
40.723 |
1.00 |
22.24 |
A |
ATOM |
4999 |
CB |
MET |
A |
11 |
16.895 |
31.982 |
40.360 |
1.00 |
23.52 |
A |
ATOM |
5000 |
CG |
MET |
A |
11 |
17.007 |
32.727 |
39.047 |
1.00 |
24.37 |
A |
ATOM |
5001 |
SD |
MET |
A |
11 |
15.802 |
34.129 |
38.850 |
1.00 |
26.46 |
A |
ATOM |
5002 |
CE |
MET |
A |
11 |
16.836 |
35.517 |
39.396 |
1.00 |
25.81 |
A |
ATOM |
5003 |
C |
MET |
A |
11 |
18.090 |
29.814 |
39.857 |
1.00 |
21.50 |
A |
ATOM |
5004 |
O |
MET |
A |
11 |
18.967 |
29.645 |
39.006 |
1.00 |
21.28 |
A |
ATOM |
5005 |
N |
ARG |
A |
12 |
17.141 |
28.916 |
40.107 |
1.00 |
20.53 |
A |
ATOM |
5006 |
CA |
ARG |
A |
12 |
17.043 |
27.684 |
39.339 |
1.00 |
19.59 |
A |
ATOM |
5007 |
CB |
ARG |
A |
12 |
15.934 |
26.791 |
39.911 |
1.00 |
19.37 |
A |
ATOM |
5008 |
CG |
ARG |
A |
12 |
16.161 |
26.371 |
41.367 |
1.00 |
19.34 |
A |
ATOM |
5009 |
CD |
ARG |
A |
12 |
15.131 |
25.327 |
41.823 |
1.00 |
18.54 |
A |
ATOM |
5010 |
NE |
ARG |
A |
12 |
13.767 |
25.844 |
41.732 |
1.00 |
18.63 |
A |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
13.276 |
26.789 |
42.524 |
1.00 |
18.61 |
A |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
14.038 |
27.316 |
43.477 |
1.00 |
18.60 |
A |
ATOM |
5013 |
NH2 |
ARG |
A |
12 |
12.033 |
27.219 |
42.354 |
1.00 |
18.16 |
A |
ATOM |
5014 |
C |
ARG |
A |
12 |
16.720 |
28.094 |
37.909 |
1.00 |
19.15 |
A |
ATOM |
5015 |
O |
ARG |
A |
12 |
17.536 |
27.922 |
37.003 |
1.00 |
18.76 |
A |
ATOM |
5016 |
N |
GLY |
A |
13 |
15.531 |
28.659 |
37.729 |
1.00 |
18.65 |
A |
ATOM |
5017 |
CA |
GLY |
A |
13 |
15.102 |
29.119 |
36.421 |
1.00 |
18.28 |
A |
ATOM |
5018 |
C |
GLY |
A |
13 |
15.414 |
28.194 |
35.262 |
1.00 |
18.14 |
A |
ATOM |
5019 |
O |
GLY |
A |
13 |
15.277 |
26.972 |
35.366 |
1.00 |
17.63 |
A |
ATOM |
5020 |
N |
ARG |
A |
14 |
15.863 |
28.793 |
34.162 |
1.00 |
17.96 |
A |
ATOM |
5021 |
CA |
ARG |
A |
14 |
16.177 |
28.069 |
32.933 |
1.00 |
18.29 |
A |
ATOM |
5022 |
CB |
ARG |
A |
14 |
16.047 |
29.022 |
31.738 |
1.00 |
18.89 |
A |
ATOM |
5023 |
CG |
ARG |
A |
14 |
14.666 |
29.644 |
31.606 |
1.00 |
19.92 |
A |
ATOM |
5024 |
CD |
ARG |
A |
14 |
14.549 |
30.514 |
30.365 |
1.00 |
21.37 |
A |
ATOM |
5025 |
NE |
ARG |
A |
14 |
13.164 |
30.648 |
29.917 |
1.00 |
22.61 |
A |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
12.361 |
31.673 |
30.191 |
1.00 |
23.60 |
A |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
11.110 |
31.677 |
29.727 |
1.00 |
24.26 |
A |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
12.799 |
32.701 |
30.906 |
1.00 |
23.64 |
A |
ATOM |
5029 |
C |
ARG |
A |
14 |
17.552 |
27.412 |
32.912 |
1.00 |
18.18 |
A |
ATOM |
5030 |
O |
ARG |
A |
14 |
17.885 |
26.703 |
31.970 |
1.00 |
18.06 |
A |
ATOM |
5031 |
N |
ALA |
A |
15 |
18.355 |
27.634 |
33.943 |
1.00 |
18.06 |
A |
ATOM |
5032 |
CA |
ALA |
A |
15 |
19.680 |
27.027 |
33.964 |
1.00 |
18.18 |
A |
ATOM |
5033 |
CB |
ALA |
A |
15 |
20.689 |
27.991 |
34.579 |
1.00 |
18.24 |
A |
ATOM |
5034 |
C |
ALA |
A |
15 |
19.694 |
25.710 |
34.735 |
1.00 |
18.01 |
A |
ATOM |
5035 |
O |
ALA |
A |
15 |
20.576 |
24.875 |
34.541 |
1.00 |
17.87 |
A |
ATOM |
5036 |
N |
GLU |
A |
16 |
18.712 |
25.520 |
35.607 |
1.00 |
18.14 |
A |
ATOM |
5037 |
CA |
GLU |
A |
16 |
18.671 |
24.313 |
36.426 |
1.00 |
17.94 |
A |
ATOM |
5038 |
CB |
GLU |
A |
16 |
17.412 |
24.314 |
37.295 |
1.00 |
18.23 |
A |
ATOM |
5039 |
CG |
GLU |
A |
16 |
17.518 |
23.451 |
38.545 |
1.00 |
18.77 |
A |
ATOM |
5040 |
CD |
GLU |
A |
16 |
18.639 |
23.897 |
39.478 |
1.00 |
19.23 |
A |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
19.109 |
25.046 |
39.354 |
1.00 |
19.68 |
A |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
19.043 |
23.099 |
40.349 |
1.00 |
19.82 |
A |
ATOM |
5043 |
C |
GLU |
A |
16 |
18.774 |
22.991 |
35.653 |
1.00 |
17.71 |
A |
ATOM |
5044 |
O |
GLU |
A |
16 |
19.443 |
22.063 |
36.102 |
1.00 |
17.63 |
A |
ATOM |
5045 |
N |
ILE |
A |
17 |
18.124 |
22.900 |
34.497 |
1.00 |
17.52 |
A |
ATOM |
5046 |
CA |
ILE |
A |
17 |
18.176 |
21.667 |
33.715 |
1.00 |
17.48 |
A |
ATOM |
5047 |
CB |
ILE |
A |
17 |
17.312 |
21.776 |
32.436 |
1.00 |
17.22 |
A |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
17.790 |
22.941 |
31.585 |
1.00 |
17.01 |
A |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
17.366 |
20.462 |
31.652 |
1.00 |
17.08 |
A |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
16.797 |
19.262 |
32.406 |
1.00 |
17.66 |
A |
ATOM |
5051 |
C |
ILE |
A |
17 |
19.611 |
21.316 |
33.330 |
1.00 |
17.59 |
A |
ATOM |
5052 |
O |
ILE |
A |
17 |
19.977 |
20.143 |
33.255 |
1.00 |
17.72 |
A |
ATOM |
5242 |
N |
TRP |
A |
39 |
24.145 |
42.736 |
35.174 |
1.00 |
42.17 |
A |
ATOM |
5243 |
CA |
TRP |
A |
39 |
23.529 |
42.160 |
33.983 |
1.00 |
41.90 |
A |
ATOM |
5244 |
CB |
TRP |
A |
39 |
22.062 |
41.812 |
34.261 |
1.00 |
41.67 |
A |
ATOM |
5245 |
CG |
TRP |
A |
39 |
21.310 |
41.341 |
33.047 |
1.00 |
41.34 |
A |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
21.735 |
40.353 |
32.097 |
1.00 |
41.24 |
A |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
20.708 |
40.233 |
31.133 |
1.00 |
41.24 |
A |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
22.881 |
39.559 |
31.967 |
1.00 |
41.17 |
A |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
20.082 |
41.765 |
32.632 |
1.00 |
41.33 |
A |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
19.713 |
41.106 |
31.484 |
1.00 |
41.21 |
A |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
20.794 |
39.348 |
30.051 |
1.00 |
41.18 |
A |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
22.967 |
38.678 |
30.891 |
1.00 |
41.18 |
A |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
21.927 |
38.582 |
29.947 |
1.00 |
41.22 |
A |
ATOM |
5254 |
C |
TRP |
A |
39 |
23.610 |
43.095 |
32.774 |
1.00 |
41.82 |
A |
ATOM |
5255 |
O |
TRP |
A |
39 |
23.990 |
42.678 |
31.681 |
1.00 |
41.83 |
A |
ATOM |
5256 |
N |
PRO |
A |
40 |
23.253 |
44.376 |
32.956 |
1.00 |
41.74 |
A |
ATOM |
5257 |
CD |
PRO |
A |
40 |
22.790 |
45.032 |
34.194 |
1.00 |
41.72 |
A |
ATOM |
5258 |
CA |
PRO |
A |
40 |
23.299 |
45.335 |
31.850 |
1.00 |
41.61 |
A |
ATOM |
5259 |
CB |
PRO |
A |
40 |
23.085 |
46.672 |
32.553 |
1.00 |
41.71 |
A |
ATOM |
5260 |
CG |
PRO |
A |
40 |
22.158 |
46.304 |
33.670 |
1.00 |
41.78 |
A |
ATOM |
5261 |
C |
PRO |
A |
40 |
24.598 |
45.298 |
31.047 |
1.00 |
41.46 |
A |
ATOM |
5262 |
O |
PRO |
A |
40 |
24.571 |
45.278 |
29.818 |
1.00 |
41.46 |
A |
ATOM |
5263 |
N |
GLU |
A |
41 |
25.731 |
45.284 |
31.742 |
1.00 |
41.23 |
A |
ATOM |
5264 |
CA |
GLU |
A |
41 |
27.030 |
45.262 |
31.079 |
1.00 |
41.03 |
A |
ATOM |
5265 |
CB |
GLU |
A |
41 |
28.147 |
45.542 |
32.088 |
1.00 |
41.50 |
A |
ATOM |
5266 |
CG |
GLU |
A |
41 |
27.983 |
46.835 |
32.868 |
1.00 |
42.28 |
A |
ATOM |
5267 |
CD |
GLU |
A |
41 |
26.844 |
46.776 |
33.870 |
1.00 |
42.66 |
A |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
26.899 |
45.926 |
34.783 |
1.00 |
42.97 |
A |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
25.895 |
47.579 |
33.746 |
1.00 |
43.13 |
A |
ATOM |
5270 |
C |
GLU |
A |
41 |
27.301 |
43.929 |
30.391 |
1.00 |
40.57 |
A |
ATOM |
5271 |
O |
GLU |
A |
41 |
27.795 |
43.889 |
29.265 |
1.00 |
40.56 |
A |
ATOM |
5272 |
N |
ILE |
A |
42 |
26.977 |
42.839 |
31.078 |
1.00 |
39.94 |
A |
ATOM |
5273 |
CA |
ILE |
A |
42 |
27.193 |
41.499 |
30.547 |
1.00 |
39.34 |
A |
ATOM |
5274 |
CB |
ILE |
A |
42 |
26.899 |
40.434 |
31.624 |
1.00 |
39.29 |
A |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
27.163 |
39.043 |
31.071 |
1.00 |
39.27 |
A |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
27.776 |
40.691 |
32.851 |
1.00 |
39.26 |
A |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
27.446 |
39.819 |
34.036 |
1.00 |
39.48 |
A |
ATOM |
5278 |
C |
ILE |
A |
42 |
26.316 |
41.223 |
29.332 |
1.00 |
38.87 |
A |
ATOM |
5279 |
O |
ILE |
A |
42 |
26.780 |
40.678 |
28.331 |
1.00 |
38.77 |
A |
ATOM |
5280 |
N |
LYS |
A |
43 |
25.047 |
41.605 |
29.434 |
1.00 |
38.49 |
A |
ATOM |
5281 |
CA |
LYS |
A |
43 |
24.077 |
41.404 |
28.363 |
1.00 |
38.12 |
A |
ATOM |
5282 |
CB |
LYS |
A |
43 |
22.759 |
42.086 |
28.722 |
1.00 |
38.17 |
A |
ATOM |
5283 |
CG |
LYS |
A |
43 |
21.711 |
41.995 |
27.630 |
1.00 |
38.16 |
A |
ATOM |
5284 |
CD |
LYS |
A |
43 |
20.457 |
42.760 |
28.004 |
1.00 |
38.30 |
A |
ATOM |
5285 |
CE |
LYS |
A |
43 |
19.412 |
42.658 |
26.909 |
1.00 |
38.35 |
A |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
18.211 |
43.462 |
27.231 |
1.00 |
38.78 |
A |
ATOM |
5287 |
C |
LYS |
A |
43 |
24.555 |
41.940 |
27.021 |
1.00 |
37.94 |
A |
ATOM |
5288 |
O |
LYS |
A |
43 |
24.300 |
41.345 |
25.973 |
1.00 |
37.89 |
A |
ATOM |
5328 |
N |
GLY |
A |
49 |
22.030 |
38.588 |
23.868 |
1.00 |
27.57 |
A |
ATOM |
5329 |
CA |
GLY |
A |
49 |
21.714 |
39.214 |
25.141 |
1.00 |
26.68 |
A |
ATOM |
5330 |
C |
GLY |
A |
49 |
20.783 |
38.447 |
26.055 |
1.00 |
26.11 |
A |
ATOM |
5331 |
O |
GLY |
A |
49 |
19.969 |
39.047 |
26.759 |
1.00 |
26.15 |
A |
ATOM |
5332 |
N |
LYS |
A |
50 |
20.902 |
37.124 |
26.055 |
1.00 |
25.32 |
A |
ATOM |
5333 |
CA |
LYS |
A |
50 |
20.058 |
36.286 |
26.899 |
1.00 |
24.83 |
A |
ATOM |
5334 |
CB |
LYS |
A |
50 |
18.987 |
35.584 |
26.055 |
1.00 |
25.06 |
A |
ATOM |
5335 |
CG |
LYS |
A |
50 |
18.013 |
36.530 |
25.374 |
1.00 |
25.51 |
A |
ATOM |
5336 |
CD |
LYS |
A |
50 |
17.150 |
37.251 |
26.398 |
1.00 |
25.84 |
A |
ATOM |
5337 |
CE |
LYS |
A |
50 |
16.263 |
38.306 |
25.752 |
1.00 |
26.47 |
A |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
15.382 |
37.745 |
24.694 |
1.00 |
26.77 |
A |
ATOM |
5339 |
C |
LYS |
A |
50 |
20.879 |
35.240 |
27.634 |
1.00 |
24.41 |
A |
ATOM |
5340 |
O |
LYS |
A |
50 |
21.944 |
34.833 |
27.172 |
1.00 |
24.16 |
A |
ATOM |
5341 |
N |
ILE |
A |
51 |
20.383 |
34.825 |
28.794 |
1.00 |
23.98 |
A |
ATOM |
5342 |
CA |
ILE |
A |
51 |
21.045 |
33.800 |
29.586 |
1.00 |
23.81 |
A |
ATOM |
5343 |
CB |
ILE |
A |
51 |
21.654 |
34.373 |
30.889 |
1.00 |
23.59 |
A |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
22.946 |
35.101 |
30.569 |
1.00 |
23.66 |
A |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
20.647 |
35.286 |
31.588 |
1.00 |
23.56 |
A |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
21.166 |
35.889 |
32.865 |
1.00 |
24.20 |
A |
ATOM |
5347 |
C |
ILE |
A |
51 |
20.012 |
32.737 |
29.925 |
1.00 |
23.69 |
A |
ATOM |
5348 |
O |
ILE |
A |
51 |
18.812 |
32.984 |
29.833 |
1.00 |
23.80 |
A |
ATOM |
5349 |
N |
PRO |
A |
52 |
20.461 |
31.545 |
30.341 |
1.00 |
23.80 |
A |
ATOM |
5350 |
CD |
PRO |
A |
52 |
19.562 |
30.408 |
30.617 |
1.00 |
23.80 |
A |
ATOM |
5351 |
CA |
PRO |
A |
52 |
21.862 |
31.148 |
30.517 |
1.00 |
23.83 |
A |
ATOM |
5352 |
CB |
PRO |
A |
52 |
21.744 |
29.860 |
31.315 |
1.00 |
23.75 |
A |
ATOM |
5353 |
CG |
PRO |
A |
52 |
20.522 |
29.241 |
30.696 |
1.00 |
23.82 |
A |
ATOM |
5354 |
C |
PRO |
A |
52 |
22.657 |
30.935 |
29.234 |
1.00 |
24.05 |
A |
ATOM |
5355 |
O |
PRO |
A |
52 |
22.107 |
30.869 |
28.132 |
1.00 |
23.56 |
A |
ATOM |
5356 |
N |
ILE |
A |
53 |
23.969 |
30.831 |
29.405 |
1.00 |
24.37 |
A |
ATOM |
5357 |
CA |
ILE |
A |
53 |
24.883 |
30.580 |
28.305 |
1.00 |
24.89 |
A |
ATOM |
5358 |
CB |
ILE |
A |
53 |
25.598 |
31.865 |
27.845 |
1.00 |
25.02 |
A |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
24.582 |
32.851 |
27.265 |
1.00 |
25.04 |
A |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
26.353 |
32.488 |
29.018 |
1.00 |
25.09 |
A |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
27.139 |
33.725 |
28.651 |
1.00 |
25.71 |
A |
ATOM |
5362 |
C |
ILE |
A |
53 |
25.920 |
29.600 |
28.830 |
1.00 |
25.23 |
A |
ATOM |
5363 |
O |
ILE |
A |
53 |
26.251 |
29.620 |
30.017 |
1.00 |
25.22 |
A |
ATOM |
5423 |
N |
HIS |
A |
62 |
24.143 |
29.233 |
23.623 |
1.00 |
22.53 |
A |
ATOM |
5424 |
CA |
HIS |
A |
62 |
22.973 |
29.778 |
24.304 |
1.00 |
21.30 |
A |
ATOM |
5425 |
CB |
HIS |
A |
62 |
22.641 |
31.181 |
23.777 |
1.00 |
21.36 |
A |
ATOM |
5426 |
CG |
HIS |
A |
62 |
22.241 |
31.212 |
22.334 |
1.00 |
21.08 |
A |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
21.074 |
31.557 |
21.739 |
1.00 |
20.76 |
A |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
23.112 |
30.897 |
21.314 |
1.00 |
21.06 |
A |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
22.502 |
31.050 |
20.152 |
1.00 |
20.77 |
A |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
21.264 |
31.449 |
20.382 |
1.00 |
21.11 |
A |
ATOM |
5431 |
C |
HIS |
A |
62 |
21.754 |
28.875 |
24.145 |
1.00 |
20.50 |
A |
ATOM |
5432 |
O |
HIS |
A |
62 |
21.812 |
27.856 |
23.457 |
1.00 |
20.45 |
A |
ATOM |
5433 |
N |
GLN |
A |
63 |
20.653 |
29.279 |
24.776 |
1.00 |
19.38 |
A |
ATOM |
5434 |
CA |
GLN |
A |
63 |
19.395 |
28.531 |
24.759 |
1.00 |
18.32 |
A |
ATOM |
5435 |
CB |
GLN |
A |
63 |
19.006 |
28.135 |
23.327 |
1.00 |
18.21 |
A |
ATOM |
5436 |
CG |
GLN |
A |
63 |
18.351 |
29.257 |
22.523 |
1.00 |
17.55 |
A |
ATOM |
5437 |
CD |
GLN |
A |
63 |
17.052 |
29.748 |
23.159 |
1.00 |
17.51 |
A |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
16.447 |
29.061 |
23.990 |
1.00 |
16.96 |
A |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
16.614 |
30.932 |
22.760 |
1.00 |
16.64 |
A |
ATOM |
5440 |
C |
GLN |
A |
63 |
19.548 |
27.295 |
25.640 |
1.00 |
17.51 |
A |
ATOM |
5441 |
O |
GLN |
A |
63 |
20.204 |
26.326 |
25.262 |
1.00 |
17.52 |
A |
ATOM |
5442 |
N |
SER |
A |
64 |
18.922 |
27.343 |
26.810 |
1.00 |
16.62 |
A |
ATOM |
5443 |
CA |
SER |
A |
64 |
19.005 |
26.266 |
27.787 |
1.00 |
16.23 |
A |
ATOM |
5444 |
CB |
SER |
A |
64 |
18.109 |
26.580 |
28.994 |
1.00 |
15.75 |
A |
ATOM |
5445 |
OG |
SER |
A |
64 |
16.739 |
26.636 |
28.636 |
1.00 |
16.02 |
A |
ATOM |
5446 |
C |
SER |
A |
64 |
18.690 |
24.871 |
27.264 |
1.00 |
16.04 |
A |
ATOM |
5447 |
O |
SER |
A |
64 |
19.416 |
23.927 |
27.561 |
1.00 |
15.93 |
A |
ATOM |
5448 |
N |
LEU |
A |
65 |
17.623 |
24.736 |
26.484 |
1.00 |
15.93 |
A |
ATOM |
5449 |
CA |
LEU |
A |
65 |
17.243 |
23.426 |
25.969 |
1.00 |
16.08 |
A |
ATOM |
5450 |
CB |
LEU |
A |
65 |
15.781 |
23.445 |
25.509 |
1.00 |
16.21 |
A |
ATOM |
5451 |
CG |
LEU |
A |
65 |
14.757 |
23.960 |
26.532 |
1.00 |
16.82 |
A |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
13.348 |
23.839 |
25.954 |
1.00 |
17.04 |
A |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
14.862 |
23.156 |
27.831 |
1.00 |
16.97 |
A |
ATOM |
5454 |
C |
LEU |
A |
65 |
18.168 |
22.953 |
24.846 |
1.00 |
16.25 |
A |
ATOM |
5455 |
O |
LEU |
A |
65 |
18.403 |
21.753 |
24.693 |
1.00 |
16.15 |
A |
ATOM |
5662 |
N |
ASP |
A |
93 |
9.463 |
20.540 |
25.416 |
1.00 |
15.24 |
A |
ATOM |
5663 |
CA |
ASP |
A |
93 |
8.886 |
21.742 |
24.818 |
1.00 |
15.43 |
A |
ATOM |
5664 |
CB |
ASP |
A |
93 |
8.800 |
21.598 |
23.289 |
1.00 |
16.54 |
A |
ATOM |
5665 |
CG |
ASP |
A |
93 |
10.083 |
22.013 |
22.578 |
1.00 |
17.29 |
A |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
10.162 |
21.833 |
21.338 |
1.00 |
18.80 |
A |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
11.014 |
22.527 |
23.240 |
1.00 |
17.97 |
A |
ATOM |
5668 |
C |
ASP |
A |
93 |
7.496 |
22.053 |
25.388 |
1.00 |
15.31 |
A |
ATOM |
5669 |
O |
ASP |
A |
93 |
7.138 |
23.220 |
25.568 |
1.00 |
15.25 |
A |
ATOM |
5670 |
N |
THR |
A |
94 |
6.707 |
21.016 |
25.658 |
1.00 |
15.02 |
A |
ATOM |
5671 |
CA |
THR |
A |
94 |
5.371 |
21.207 |
26.224 |
1.00 |
15.27 |
A |
ATOM |
5672 |
CB |
THR |
A |
94 |
4.640 |
19.861 |
26.399 |
1.00 |
15.32 |
A |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
4.193 |
19.397 |
25.118 |
1.00 |
16.10 |
A |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
3.432 |
20.011 |
27.323 |
1.00 |
15.76 |
A |
ATOM |
5675 |
C |
THR |
A |
94 |
5.483 |
21.895 |
27.584 |
1.00 |
15.32 |
A |
ATOM |
5676 |
O |
THR |
A |
94 |
4.756 |
22.843 |
27.878 |
1.00 |
14.89 |
A |
ATOM |
5677 |
N |
LEU |
A |
95 |
6.406 |
21.408 |
28.407 |
1.00 |
15.54 |
A |
ATOM |
5678 |
CA |
LEU |
A |
95 |
6.615 |
21.982 |
29.732 |
1.00 |
16.01 |
A |
ATOM |
5679 |
CB |
LEU |
A |
95 |
7.593 |
21.115 |
30.535 |
1.00 |
16.19 |
A |
ATOM |
5680 |
CG |
LEU |
A |
95 |
7.089 |
19.738 |
30.998 |
1.00 |
16.12 |
A |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
8.230 |
18.966 |
31.648 |
1.00 |
16.47 |
A |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
5.934 |
19.903 |
31.975 |
1.00 |
16.46 |
A |
ATOM |
5683 |
C |
LEU |
A |
95 |
7.167 |
23.402 |
29.590 |
1.00 |
16.45 |
A |
ATOM |
5684 |
O |
LEU |
A |
95 |
6.744 |
24.320 |
30.296 |
1.00 |
16.19 |
A |
ATOM |
5685 |
N |
ASP |
A |
96 |
8.112 |
23.576 |
28.667 |
1.00 |
16.83 |
A |
ATOM |
5686 |
CA |
ASP |
A |
96 |
8.718 |
24.886 |
28.435 |
1.00 |
17.42 |
A |
ATOM |
5687 |
CB |
ASP |
A |
96 |
9.834 |
24.776 |
27.388 |
1.00 |
17.70 |
A |
ATOM |
5688 |
CG |
ASP |
A |
96 |
10.761 |
25.977 |
27.397 |
1.00 |
18.24 |
A |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
11.259 |
26.318 |
28.496 |
1.00 |
19.16 |
A |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
11.004 |
26.566 |
26.314 |
1.00 |
17.96 |
A |
ATOM |
5691 |
C |
ASP |
A |
96 |
7.670 |
25.906 |
27.982 |
1.00 |
17.76 |
A |
ATOM |
5692 |
O |
ASP |
A |
96 |
7.707 |
27.074 |
28.383 |
1.00 |
17.65 |
A |
ATOM |
5693 |
N |
ASP |
A |
97 |
6.741 |
25.463 |
27.140 |
1.00 |
18.16 |
A |
ATOM |
5694 |
CA |
ASP |
A |
97 |
5.672 |
26.328 |
26.642 |
1.00 |
18.58 |
A |
ATOM |
5695 |
CB |
ASP |
A |
97 |
4.759 |
25.559 |
25.681 |
1.00 |
18.77 |
A |
ATOM |
5696 |
CG |
ASP |
A |
97 |
5.388 |
25.333 |
24.313 |
1.00 |
19.31 |
A |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
4.838 |
24.515 |
23.539 |
1.00 |
19.60 |
A |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
6.420 |
25.973 |
24.007 |
1.00 |
19.36 |
A |
ATOM |
5699 |
C |
ASP |
A |
97 |
4.820 |
26.880 |
27.786 |
1.00 |
18.77 |
A |
ATOM |
5700 |
O |
ASP |
A |
97 |
4.480 |
28.063 |
27.799 |
1.00 |
18.43 |
A |
ATOM |
5701 |
N |
PHE |
A |
98 |
4.473 |
26.017 |
28.738 |
1.00 |
18.98 |
A |
ATOM |
5702 |
CA |
PHE |
A |
98 |
3.644 |
26.427 |
29.865 |
1.00 |
19.59 |
A |
ATOM |
5703 |
CB |
PHE |
A |
98 |
3.170 |
25.208 |
30.662 |
1.00 |
19.85 |
A |
ATOM |
5704 |
CG |
PHE |
A |
98 |
2.225 |
25.554 |
31.787 |
1.00 |
20.49 |
A |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
1.002 |
26.164 |
31.520 |
1.00 |
20.75 |
A |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
2.561 |
25.279 |
33.110 |
1.00 |
21.00 |
A |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
0.126 |
26.496 |
32.557 |
1.00 |
21.20 |
A |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
1.690 |
25.608 |
34.156 |
1.00 |
20.81 |
A |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
0.473 |
26.216 |
33.876 |
1.00 |
21.25 |
A |
ATOM |
5710 |
C |
PHE |
A |
98 |
4.382 |
27.373 |
30.798 |
1.00 |
19.70 |
A |
ATOM |
5711 |
O |
PHE |
A |
98 |
3.849 |
28.407 |
31.193 |
1.00 |
19.84 |
A |
ATOM |
5712 |
N |
MET |
A |
99 |
5.610 |
27.010 |
31.148 |
1.00 |
19.93 |
A |
ATOM |
5713 |
CA |
MET |
A |
99 |
6.422 |
27.834 |
32.038 |
1.00 |
20.62 |
A |
ATOM |
5714 |
CB |
MET |
A |
99 |
7.759 |
27.150 |
32.323 |
1.00 |
20.56 |
A |
ATOM |
5715 |
CG |
MET |
A |
99 |
7.642 |
25.794 |
32.999 |
1.00 |
20.77 |
A |
ATOM |
5716 |
SD |
MET |
A |
99 |
6.765 |
25.897 |
34.599 |
1.00 |
20.94 |
A |
ATOM |
5717 |
CE |
MET |
A |
99 |
7.971 |
26.856 |
35.571 |
1.00 |
21.40 |
A |
ATOM |
5718 |
C |
MET |
A |
99 |
6.684 |
29.200 |
31.418 |
1.00 |
21.19 |
A |
ATOM |
5719 |
O |
MET |
A |
99 |
6.770 |
30.205 |
32.123 |
1.00 |
20.97 |
A |
ATOM |
5720 |
N |
SER |
A |
100 |
6.817 |
29.232 |
30.094 |
1.00 |
21.87 |
A |
ATOM |
5721 |
CA |
SER |
A |
100 |
7.088 |
30.480 |
29.391 |
1.00 |
22.86 |
A |
ATOM |
5722 |
CB |
SER |
A |
100 |
7.626 |
30.190 |
27.986 |
1.00 |
22.52 |
A |
ATOM |
5723 |
OG |
SER |
A |
100 |
8.932 |
29.641 |
28.064 |
1.00 |
23.15 |
A |
ATOM |
5724 |
C |
SER |
A |
100 |
5.874 |
31.400 |
29.310 |
1.00 |
23.42 |
A |
ATOM |
5725 |
O |
SER |
A |
100 |
5.999 |
32.570 |
28.944 |
1.00 |
23.43 |
A |
ATOM |
5726 |
N |
CYS |
A |
101 |
4.705 |
30.871 |
29.656 |
1.00 |
24.43 |
A |
ATOM |
5727 |
CA |
CYS |
A |
101 |
3.470 |
31.649 |
29.642 |
1.00 |
25.43 |
A |
ATOM |
5728 |
CB |
CYS |
A |
101 |
2.246 |
30.732 |
29.736 |
1.00 |
25.71 |
A |
ATOM |
5729 |
SG |
CYS |
A |
101 |
1.749 |
29.932 |
28.189 |
1.00 |
27.17 |
A |
ATOM |
5730 |
C |
CYS |
A |
101 |
3.427 |
32.631 |
30.806 |
1.00 |
25.95 |
A |
ATOM |
5731 |
O |
CYS |
A |
101 |
2.818 |
33.695 |
30.704 |
1.00 |
25.87 |
A |
ATOM |
5732 |
N |
PHE |
A |
102 |
4.060 |
32.272 |
31.919 |
1.00 |
26.64 |
A |
ATOM |
5733 |
CA |
PHE |
A |
102 |
4.055 |
33.150 |
33.084 |
1.00 |
27.61 |
A |
ATOM |
5734 |
CB |
PHE |
A |
102 |
4.567 |
32.416 |
34.328 |
1.00 |
27.12 |
A |
ATOM |
5735 |
CG |
PHE |
A |
102 |
3.679 |
31.293 |
34.780 |
1.00 |
26.71 |
A |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
3.627 |
30.100 |
34.067 |
1.00 |
26.53 |
A |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
2.904 |
31.422 |
35.930 |
1.00 |
26.49 |
A |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
2.814 |
29.047 |
34.495 |
1.00 |
26.51 |
A |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
2.089 |
30.378 |
36.366 |
1.00 |
26.35 |
A |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
2.044 |
29.187 |
35.648 |
1.00 |
26.32 |
A |
ATOM |
5741 |
C |
PHE |
A |
102 |
4.896 |
34.401 |
32.862 |
1.00 |
28.66 |
A |
ATOM |
5742 |
O |
PHE |
A |
102 |
6.020 |
34.328 |
32.366 |
1.00 |
28.59 |
A |
ATOM |
5743 |
N |
PRO |
A |
103 |
4.353 |
35.572 |
33.228 |
1.00 |
29.73 |
A |
ATOM |
5744 |
CD |
PRO |
A |
103 |
2.973 |
35.797 |
33.697 |
1.00 |
29.81 |
A |
ATOM |
5745 |
CA |
PRO |
A |
103 |
5.059 |
36.846 |
33.070 |
1.00 |
30.81 |
A |
ATOM |
5746 |
CB |
PRO |
A |
103 |
3.927 |
37.865 |
33.132 |
1.00 |
30.54 |
A |
ATOM |
5747 |
CG |
PRO |
A |
103 |
3.012 |
37.251 |
34.137 |
1.00 |
30.22 |
A |
ATOM |
5748 |
C |
PRO |
A |
103 |
6.087 |
37.050 |
34.183 |
1.00 |
31.87 |
A |
ATOM |
5749 |
O |
PRO |
A |
103 |
5.896 |
37.883 |
35.069 |
1.00 |
31.89 |
A |
ATOM |
5750 |
N |
TRP |
A |
104 |
7.173 |
36.284 |
34.134 |
1.00 |
33.14 |
A |
ATOM |
5751 |
CA |
TRP |
A |
104 |
8.218 |
36.373 |
35.147 |
1.00 |
34.59 |
A |
ATOM |
5752 |
CB |
TRP |
A |
104 |
9.315 |
35.340 |
34.874 |
1.00 |
34.65 |
A |
ATOM |
5753 |
CG |
TRP |
A |
104 |
8.796 |
33.949 |
34.643 |
1.00 |
34.60 |
A |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
8.342 |
33.023 |
35.639 |
1.00 |
34.60 |
A |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
7.930 |
31.852 |
34.965 |
1.00 |
34.60 |
A |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
8.243 |
33.068 |
37.038 |
1.00 |
34.59 |
A |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
8.644 |
33.320 |
33.440 |
1.00 |
34.55 |
A |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
8.126 |
32.060 |
33.624 |
1.00 |
34.48 |
A |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
7.427 |
30.736 |
35.641 |
1.00 |
34.52 |
A |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
7.743 |
31.959 |
37.709 |
1.00 |
34.54 |
A |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
7.341 |
30.809 |
37.009 |
1.00 |
34.78 |
A |
ATOM |
5762 |
C |
TRP |
A |
104 |
8.837 |
37.765 |
35.207 |
1.00 |
35.65 |
A |
ATOM |
5763 |
O |
TRP |
A |
104 |
9.139 |
38.270 |
36.286 |
1.00 |
35.74 |
A |
ATOM |
5764 |
N |
ALA |
A |
105 |
9.024 |
38.379 |
34.044 |
1.00 |
37.02 |
A |
ATOM |
5765 |
CA |
ALA |
A |
105 |
9.612 |
39.712 |
33.960 |
1.00 |
38.45 |
A |
ATOM |
5766 |
CB |
ALA |
A |
105 |
10.630 |
39.762 |
32.826 |
1.00 |
38.40 |
A |
ATOM |
5767 |
C |
ALA |
A |
105 |
8.541 |
40.776 |
33.743 |
1.00 |
39.42 |
A |
ATOM |
5768 |
O |
ALA |
A |
105 |
8.562 |
41.497 |
32.744 |
1.00 |
39.67 |
A |
ATOM |
5769 |
N |
GLU |
A |
106 |
7.604 |
40.871 |
34.677 |
1.00 |
40.55 |
A |
ATOM |
5770 |
CA |
GLU |
A |
106 |
6.536 |
41.854 |
34.566 |
1.00 |
41.69 |
A |
ATOM |
5771 |
CB |
GLU |
A |
106 |
5.178 |
41.152 |
34.484 |
1.00 |
41.79 |
A |
ATOM |
5772 |
CG |
GLU |
A |
106 |
3.996 |
42.101 |
34.385 |
1.00 |
42.04 |
A |
ATOM |
5773 |
CD |
GLU |
A |
106 |
4.119 |
43.062 |
33.219 |
1.00 |
42.17 |
A |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
4.135 |
42.600 |
32.059 |
1.00 |
42.24 |
A |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
4.207 |
44.282 |
33.461 |
1.00 |
42.30 |
A |
ATOM |
5776 |
C |
GLU |
A |
106 |
6.549 |
42.817 |
35.745 |
1.00 |
42.38 |
A |
ATOM |
5777 |
O |
GLU |
A |
106 |
6.252 |
42.433 |
36.877 |
1.00 |
42.50 |
A |
ATOM |
5778 |
N |
LYS |
A |
107 |
6.902 |
44.071 |
35.471 |
1.00 |
43.32 |
A |
ATOM |
5779 |
CA |
LYS |
A |
107 |
6.949 |
45.105 |
36.498 |
1.00 |
44.17 |
A |
ATOM |
5780 |
CB |
LYS |
A |
107 |
7.501 |
46.408 |
35.916 |
1.00 |
44.38 |
A |
ATOM |
5781 |
CG |
LYS |
A |
107 |
9.001 |
46.575 |
36.067 |
1.00 |
44.83 |
A |
ATOM |
5782 |
CD |
LYS |
A |
107 |
9.773 |
45.472 |
35.376 |
1.00 |
45.12 |
A |
ATOM |
5783 |
CE |
LYS |
A |
107 |
11.261 |
45.611 |
35.654 |
1.00 |
45.28 |
A |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
11.534 |
45.551 |
37.119 |
1.00 |
45.38 |
A |
ATOM |
5785 |
C |
LYS |
A |
107 |
5.573 |
45.364 |
37.100 |
1.00 |
44.67 |
A |
ATOM |
5786 |
O |
LYS |
A |
107 |
5.431 |
45.477 |
38.318 |
1.00 |
44.70 |
A |
ATOM |
5787 |
N |
LYS |
A |
108 |
4.563 |
45.460 |
36.240 |
1.00 |
45.16 |
A |
ATOM |
5788 |
CA |
LYS |
A |
108 |
3.197 |
45.701 |
36.688 |
1.00 |
45.71 |
A |
ATOM |
5789 |
CB |
LYS |
A |
108 |
2.268 |
45.869 |
35.483 |
1.00 |
45.85 |
A |
ATOM |
5790 |
CG |
LYS |
A |
108 |
2.686 |
46.978 |
34.531 |
1.00 |
46.17 |
A |
ATOM |
5791 |
CD |
LYS |
A |
108 |
1.639 |
47.224 |
33.455 |
1.00 |
46.42 |
A |
ATOM |
5792 |
CE |
LYS |
A |
108 |
1.458 |
46.017 |
32.549 |
1.00 |
46.68 |
A |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
0.371 |
46.242 |
31.554 |
1.00 |
46.81 |
A |
ATOM |
5794 |
C |
LYS |
A |
108 |
2.731 |
44.533 |
37.551 |
1.00 |
46.00 |
A |
ATOM |
5795 |
O |
LYS |
A |
108 |
2.296 |
43.501 |
37.038 |
1.00 |
45.89 |
A |
ATOM |
5796 |
N |
GLN |
A |
109 |
2.825 |
44.704 |
38.865 |
1.00 |
46.38 |
A |
ATOM |
5797 |
CA |
GLN |
A |
109 |
2.438 |
43.660 |
39.809 |
1.00 |
46.76 |
A |
ATOM |
5798 |
CB |
GLN |
A |
109 |
2.710 |
44.125 |
41.242 |
1.00 |
47.02 |
A |
ATOM |
5799 |
CG |
GLN |
A |
109 |
4.150 |
44.545 |
41.500 |
1.00 |
47.38 |
A |
ATOM |
5800 |
CD |
GLN |
A |
109 |
5.148 |
43.428 |
41.243 |
1.00 |
47.66 |
A |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
5.062 |
42.353 |
41.842 |
1.00 |
47.81 |
A |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
6.105 |
43.679 |
40.350 |
1.00 |
47.68 |
A |
ATOM |
5803 |
C |
GLN |
A |
109 |
0.977 |
43.252 |
39.674 |
1.00 |
46.90 |
A |
ATOM |
5804 |
O |
GLN |
A |
109 |
0.627 |
42.091 |
39.890 |
1.00 |
46.97 |
A |
ATOM |
5805 |
N |
ASP |
A |
110 |
0.127 |
44.209 |
39.315 |
1.00 |
47.00 |
A |
ATOM |
5806 |
CA |
ASP |
A |
110 |
−1.301 |
43.948 |
39.159 |
1.00 |
47.06 |
A |
ATOM |
5807 |
CB |
ASP |
A |
110 |
−2.046 |
45.251 |
38.853 |
1.00 |
47.31 |
A |
ATOM |
5808 |
CG |
ASP |
A |
110 |
−1.945 |
46.256 |
39.982 |
1.00 |
47.59 |
A |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
−2.246 |
45.881 |
41.136 |
1.00 |
47.70 |
A |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
−1.571 |
47.419 |
39.717 |
1.00 |
47.82 |
A |
ATOM |
5811 |
C |
ASP |
A |
110 |
−1.584 |
42.926 |
38.063 |
1.00 |
46.90 |
A |
ATOM |
5812 |
O |
ASP |
A |
110 |
−2.203 |
41.891 |
38.314 |
1.00 |
46.87 |
A |
ATOM |
5813 |
N |
VAL |
A |
111 |
−1.127 |
43.220 |
36.850 |
1.00 |
46.72 |
A |
ATOM |
5814 |
CA |
VAL |
A |
111 |
−1.338 |
42.326 |
35.719 |
1.00 |
46.57 |
A |
ATOM |
5815 |
CB |
VAL |
A |
111 |
−0.918 |
42.999 |
34.391 |
1.00 |
46.71 |
A |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
0.588 |
43.192 |
34.357 |
1.00 |
46.96 |
A |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
−1.378 |
42.160 |
33.213 |
1.00 |
46.81 |
A |
ATOM |
5818 |
C |
VAL |
A |
111 |
−0.550 |
41.029 |
35.894 |
1.00 |
46.33 |
A |
ATOM |
5819 |
O |
VAL |
A |
111 |
−0.967 |
39.970 |
35.426 |
1.00 |
46.33 |
A |
ATOM |
5820 |
N |
LYS |
A |
112 |
0.588 |
41.117 |
36.573 |
1.00 |
45.98 |
A |
ATOM |
5821 |
CA |
LYS |
A |
112 |
1.427 |
39.949 |
36.810 |
1.00 |
45.58 |
A |
ATOM |
5822 |
CB |
LYS |
A |
112 |
2.772 |
40.383 |
37.397 |
1.00 |
45.70 |
A |
ATOM |
5823 |
CG |
LYS |
A |
112 |
3.753 |
39.245 |
37.630 |
1.00 |
45.79 |
A |
ATOM |
5824 |
CD |
LYS |
A |
112 |
5.070 |
39.765 |
38.187 |
1.00 |
45.95 |
A |
ATOM |
5825 |
CE |
LYS |
A |
112 |
6.087 |
38.646 |
38.340 |
1.00 |
45.99 |
A |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
5.582 |
37.571 |
39.237 |
1.00 |
46.23 |
A |
ATOM |
5827 |
C |
LYS |
A |
112 |
0.732 |
38.985 |
37.768 |
1.00 |
45.31 |
A |
ATOM |
5828 |
O |
LYS |
A |
112 |
0.597 |
37.793 |
37.481 |
1.00 |
45.18 |
A |
ATOM |
5829 |
N |
GLU |
A |
113 |
0.290 |
39.515 |
38.904 |
1.00 |
44.80 |
A |
ATOM |
5830 |
CA |
GLU |
A |
113 |
−0.390 |
38.718 |
39.920 |
1.00 |
44.37 |
A |
ATOM |
5831 |
CB |
GLU |
A |
113 |
−0.817 |
39.615 |
41.089 |
1.00 |
44.56 |
A |
ATOM |
5832 |
CG |
GLU |
A |
113 |
−1.246 |
38.872 |
42.346 |
1.00 |
44.72 |
A |
ATOM |
5833 |
CD |
GLU |
A |
113 |
−0.069 |
38.326 |
43.135 |
1.00 |
44.84 |
A |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
0.653 |
37.451 |
42.611 |
1.00 |
44.74 |
A |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
0.138 |
38.780 |
44.281 |
1.00 |
44.95 |
A |
ATOM |
5836 |
C |
GLU |
A |
113 |
−1.620 |
38.044 |
39.316 |
1.00 |
43.91 |
A |
ATOM |
5837 |
O |
GLU |
A |
113 |
−1.907 |
36.878 |
39.594 |
1.00 |
43.88 |
A |
ATOM |
5838 |
N |
GLN |
A |
114 |
−2.343 |
38.789 |
38.486 |
1.00 |
43.23 |
A |
ATOM |
5839 |
CA |
GLN |
A |
114 |
−3.545 |
38.276 |
37.843 |
1.00 |
42.55 |
A |
ATOM |
5840 |
CB |
GLN |
A |
114 |
−4.243 |
39.392 |
37.063 |
1.00 |
43.01 |
A |
ATOM |
5841 |
CG |
GLN |
A |
114 |
−5.502 |
38.952 |
36.330 |
1.00 |
43.48 |
A |
ATOM |
5842 |
CD |
GLN |
A |
114 |
−6.660 |
38.643 |
37.266 |
1.00 |
43.87 |
A |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
−7.716 |
38.182 |
36.831 |
1.00 |
44.27 |
A |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
−6.469 |
38.902 |
38.556 |
1.00 |
44.00 |
A |
ATOM |
5845 |
C |
GLN |
A |
114 |
−3.241 |
37.115 |
36.902 |
1.00 |
41.82 |
A |
ATOM |
5846 |
O |
GLN |
A |
114 |
−3.862 |
36.058 |
36.993 |
1.00 |
41.68 |
A |
ATOM |
5847 |
N |
MET |
A |
115 |
−2.287 |
37.318 |
35.999 |
1.00 |
40.95 |
A |
ATOM |
5848 |
CA |
MET |
A |
115 |
−1.914 |
36.286 |
35.039 |
1.00 |
40.08 |
A |
ATOM |
5849 |
CB |
MET |
A |
115 |
−0.823 |
36.806 |
34.096 |
1.00 |
40.62 |
A |
ATOM |
5850 |
CG |
MET |
A |
115 |
−1.283 |
37.947 |
33.197 |
1.00 |
41.32 |
A |
ATOM |
5851 |
SD |
MET |
A |
115 |
−0.084 |
38.396 |
31.912 |
1.00 |
42.25 |
A |
ATOM |
5852 |
CE |
MET |
A |
115 |
0.892 |
39.641 |
32.771 |
1.00 |
42.06 |
A |
ATOM |
5853 |
C |
MET |
A |
115 |
−1.451 |
34.995 |
35.711 |
1.00 |
39.18 |
A |
ATOM |
5854 |
O |
MET |
A |
115 |
−1.750 |
33.899 |
35.233 |
1.00 |
38.94 |
A |
ATOM |
5855 |
N |
PHE |
A |
116 |
−0.723 |
35.120 |
36.817 |
1.00 |
38.04 |
A |
ATOM |
5856 |
CA |
PHE |
A |
116 |
−0.246 |
33.943 |
37.535 |
1.00 |
37.08 |
A |
ATOM |
5857 |
CB |
PHE |
A |
116 |
0.632 |
34.347 |
38.725 |
1.00 |
36.65 |
A |
ATOM |
5858 |
CG |
PHE |
A |
116 |
2.104 |
34.250 |
38.453 |
1.00 |
36.16 |
A |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
2.707 |
35.072 |
37.509 |
1.00 |
36.15 |
A |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
2.887 |
33.323 |
39.130 |
1.00 |
36.09 |
A |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
4.070 |
34.970 |
37.241 |
1.00 |
36.00 |
A |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
4.250 |
33.213 |
38.870 |
1.00 |
36.03 |
A |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
4.841 |
34.038 |
37.923 |
1.00 |
36.03 |
A |
ATOM |
5864 |
C |
PHE |
A |
116 |
−1.406 |
33.087 |
38.033 |
1.00 |
36.66 |
A |
ATOM |
5865 |
O |
PHE |
A |
116 |
−1.454 |
31.882 |
37.782 |
1.00 |
36.40 |
A |
ATOM |
6152 |
N |
TYR |
A |
152 |
13.399 |
17.626 |
33.588 |
1.00 |
17.13 |
A |
ATOM |
6153 |
CA |
TYR |
A |
152 |
12.704 |
18.883 |
33.352 |
1.00 |
16.94 |
A |
ATOM |
6154 |
CB |
TYR |
A |
152 |
12.549 |
19.144 |
31.854 |
1.00 |
17.23 |
A |
ATOM |
6155 |
CG |
TYR |
A |
152 |
12.463 |
20.619 |
31.522 |
1.00 |
17.59 |
A |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
13.414 |
21.519 |
32.010 |
1.00 |
17.83 |
A |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
13.368 |
22.871 |
31.673 |
1.00 |
18.02 |
A |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
11.459 |
21.111 |
30.693 |
1.00 |
17.66 |
A |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
11.407 |
22.460 |
30.349 |
1.00 |
17.94 |
A |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
12.363 |
23.331 |
30.837 |
1.00 |
18.06 |
A |
ATOM |
6161 |
OH |
TYR |
A |
152 |
12.339 |
24.652 |
30.461 |
1.00 |
18.13 |
A |
ATOM |
6162 |
C |
TYR |
A |
152 |
11.342 |
18.931 |
34.031 |
1.00 |
17.03 |
A |
ATOM |
6163 |
O |
TYR |
A |
152 |
10.893 |
19.996 |
34.459 |
1.00 |
16.79 |
A |
ATOM |
6164 |
N |
TRP |
A |
153 |
10.684 |
17.780 |
34.127 |
1.00 |
16.68 |
A |
ATOM |
6165 |
CA |
TRP |
A |
153 |
9.391 |
17.714 |
34.782 |
1.00 |
16.70 |
A |
ATOM |
6166 |
CB |
TRP |
A |
153 |
8.792 |
16.311 |
34.662 |
1.00 |
17.07 |
A |
ATOM |
6167 |
CG |
TRP |
A |
153 |
7.822 |
16.001 |
35.761 |
1.00 |
18.05 |
A |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
6.615 |
16.708 |
36.066 |
1.00 |
18.42 |
A |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
6.049 |
16.095 |
37.206 |
1.00 |
18.78 |
A |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
5.956 |
17.800 |
35.488 |
1.00 |
18.93 |
A |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
7.936 |
15.014 |
36.699 |
1.00 |
18.52 |
A |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
6.874 |
15.065 |
37.570 |
1.00 |
18.65 |
A |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
4.852 |
16.540 |
37.781 |
1.00 |
18.98 |
A |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
4.761 |
18.245 |
36.063 |
1.00 |
19.09 |
A |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
4.225 |
17.613 |
37.198 |
1.00 |
18.95 |
A |
ATOM |
6176 |
C |
TRP |
A |
153 |
9.578 |
18.055 |
36.253 |
1.00 |
16.19 |
A |
ATOM |
6177 |
O |
TRP |
A |
153 |
8.844 |
18.868 |
36.804 |
1.00 |
16.11 |
A |
ATOM |
6178 |
N |
GLU |
A |
154 |
10.571 |
17.429 |
36.879 |
1.00 |
15.99 |
A |
ATOM |
6179 |
CA |
GLU |
A |
154 |
10.850 |
17.652 |
38.301 |
1.00 |
15.99 |
A |
ATOM |
6180 |
CB |
GLU |
A |
154 |
11.985 |
16.725 |
38.759 |
1.00 |
16.41 |
A |
ATOM |
6181 |
CG |
GLU |
A |
154 |
12.159 |
16.644 |
40.282 |
1.00 |
17.45 |
A |
ATOM |
6182 |
CD |
GLU |
A |
154 |
12.954 |
17.795 |
40.864 |
1.00 |
17.87 |
A |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
12.895 |
18.000 |
42.103 |
1.00 |
18.47 |
A |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
13.648 |
18.489 |
40.093 |
1.00 |
18.04 |
A |
ATOM |
6185 |
C |
GLU |
A |
154 |
11.208 |
19.112 |
38.564 |
1.00 |
15.58 |
A |
ATOM |
6186 |
O |
GLU |
A |
154 |
10.793 |
19.697 |
39.568 |
1.00 |
15.32 |
A |
ATOM |
6187 |
N |
ILE |
A |
155 |
11.973 |
19.694 |
37.647 |
1.00 |
14.97 |
A |
ATOM |
6188 |
CA |
ILE |
A |
155 |
12.391 |
21.088 |
37.747 |
1.00 |
14.96 |
A |
ATOM |
6189 |
CB |
ILE |
A |
155 |
13.460 |
21.401 |
36.665 |
1.00 |
14.64 |
A |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
13.621 |
22.906 |
36.479 |
1.00 |
14.51 |
A |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
14.779 |
20.722 |
37.054 |
1.00 |
14.76 |
A |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
15.871 |
20.787 |
35.989 |
1.00 |
14.27 |
A |
ATOM |
6193 |
C |
ILE |
A |
155 |
11.207 |
22.044 |
37.609 |
1.00 |
15.18 |
A |
ATOM |
6194 |
O |
ILE |
A |
155 |
11.032 |
22.952 |
38.425 |
1.00 |
15.10 |
A |
ATOM |
6195 |
N |
CYS |
A |
156 |
10.394 |
21.840 |
36.574 |
1.00 |
15.13 |
A |
ATOM |
6196 |
CA |
CYS |
A |
156 |
9.225 |
22.688 |
36.351 |
1.00 |
15.67 |
A |
ATOM |
6197 |
CB |
CYS |
A |
156 |
8.573 |
22.365 |
34.998 |
1.00 |
15.61 |
A |
ATOM |
6198 |
SG |
CYS |
A |
156 |
9.519 |
22.879 |
33.537 |
1.00 |
16.74 |
A |
ATOM |
6199 |
C |
CYS |
A |
156 |
8.175 |
22.557 |
37.462 |
1.00 |
15.81 |
A |
ATOM |
6200 |
O |
CYS |
A |
156 |
7.612 |
23.558 |
37.904 |
1.00 |
15.91 |
A |
ATOM |
6201 |
N |
SER |
A |
157 |
7.904 |
21.331 |
37.905 |
1.00 |
15.84 |
A |
ATOM |
6202 |
CA |
SER |
A |
157 |
6.908 |
21.113 |
38.954 |
1.00 |
16.04 |
A |
ATOM |
6203 |
CB |
SER |
A |
157 |
6.614 |
19.614 |
39.117 |
1.00 |
15.82 |
A |
ATOM |
6204 |
OG |
SER |
A |
157 |
7.799 |
18.879 |
39.353 |
1.00 |
15.23 |
A |
ATOM |
6205 |
C |
SER |
A |
157 |
7.375 |
21.713 |
40.279 |
1.00 |
16.34 |
A |
ATOM |
6206 |
O |
SER |
A |
157 |
6.566 |
22.205 |
41.075 |
1.00 |
16.25 |
A |
ATOM |
6207 |
N |
THR |
A |
158 |
8.681 |
21.678 |
40.519 |
1.00 |
16.57 |
A |
ATOM |
6208 |
CA |
THR |
A |
158 |
9.218 |
22.252 |
41.750 |
1.00 |
17.18 |
A |
ATOM |
6209 |
CB |
THR |
A |
158 |
10.756 |
22.149 |
41.796 |
1.00 |
17.24 |
A |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
11.129 |
20.790 |
42.058 |
1.00 |
17.94 |
A |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
11.324 |
23.039 |
42.895 |
1.00 |
17.40 |
A |
ATOM |
6212 |
C |
THR |
A |
158 |
8.807 |
23.721 |
41.862 |
1.00 |
17.28 |
A |
ATOM |
6213 |
O |
THR |
A |
158 |
8.266 |
24.154 |
42.884 |
1.00 |
17.37 |
A |
ATOM |
6214 |
N |
THR |
A |
159 |
9.056 |
24.484 |
40.805 |
1.00 |
17.51 |
A |
ATOM |
6215 |
CA |
THR |
A |
159 |
8.705 |
25.900 |
40.790 |
1.00 |
17.92 |
A |
ATOM |
6216 |
CB |
THR |
A |
159 |
9.303 |
26.594 |
39.543 |
1.00 |
17.65 |
A |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
10.730 |
26.596 |
39.653 |
1.00 |
17.96 |
A |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
8.812 |
28.033 |
39.421 |
1.00 |
18.36 |
A |
ATOM |
6219 |
C |
THR |
A |
159 |
7.193 |
26.107 |
40.836 |
1.00 |
17.91 |
A |
ATOM |
6220 |
O |
THR |
A |
159 |
6.702 |
26.981 |
41.554 |
1.00 |
18.18 |
A |
ATOM |
6221 |
N |
LEU |
A |
160 |
6.446 |
25.307 |
40.084 |
1.00 |
18.04 |
A |
ATOM |
6222 |
CA |
LEU |
A |
160 |
4.995 |
25.448 |
40.098 |
1.00 |
18.10 |
A |
ATOM |
6223 |
CB |
LEU |
A |
160 |
4.350 |
24.485 |
39.102 |
1.00 |
18.30 |
A |
ATOM |
6224 |
CG |
LEU |
A |
160 |
4.599 |
24.829 |
37.627 |
1.00 |
18.44 |
A |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
3.998 |
23.744 |
36.741 |
1.00 |
18.61 |
A |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
3.995 |
26.185 |
37.298 |
1.00 |
18.31 |
A |
ATOM |
6227 |
C |
LEU |
A |
160 |
4.445 |
25.190 |
41.500 |
1.00 |
18.29 |
A |
ATOM |
6228 |
O |
LEU |
A |
160 |
3.524 |
25.874 |
41.939 |
1.00 |
18.04 |
A |
ATOM |
6229 |
N |
LEU |
A |
161 |
5.014 |
24.209 |
42.199 |
1.00 |
18.58 |
A |
ATOM |
6230 |
CA |
LEU |
A |
161 |
4.562 |
23.867 |
43.554 |
1.00 |
18.65 |
A |
ATOM |
6231 |
CB |
LEU |
A |
161 |
5.288 |
22.617 |
44.061 |
1.00 |
18.76 |
A |
ATOM |
6232 |
CG |
LEU |
A |
161 |
4.830 |
21.269 |
43.494 |
1.00 |
18.94 |
A |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
5.881 |
20.206 |
43.761 |
1.00 |
18.87 |
A |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
3.494 |
20.881 |
44.115 |
1.00 |
18.81 |
A |
ATOM |
6235 |
C |
LEU |
A |
161 |
4.769 |
25.009 |
44.545 |
1.00 |
18.70 |
A |
ATOM |
6236 |
O |
LEU |
A |
161 |
4.100 |
25.078 |
45.580 |
1.00 |
18.70 |
A |
ATOM |
6237 |
N |
VAL |
A |
162 |
5.713 |
25.892 |
44.242 |
1.00 |
18.91 |
A |
ATOM |
6238 |
CA |
VAL |
A |
162 |
5.982 |
27.038 |
45.111 |
1.00 |
19.05 |
A |
ATOM |
6239 |
CB |
VAL |
A |
162 |
7.268 |
27.775 |
44.679 |
1.00 |
18.98 |
A |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
7.376 |
29.108 |
45.403 |
1.00 |
19.21 |
A |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
8.485 |
26.911 |
44.990 |
1.00 |
18.86 |
A |
ATOM |
6242 |
C |
VAL |
A |
162 |
4.807 |
28.012 |
45.079 |
1.00 |
19.45 |
A |
ATOM |
6243 |
O |
VAL |
A |
162 |
4.496 |
28.669 |
46.076 |
1.00 |
19.46 |
A |
ATOM |
6244 |
N |
PHE |
A |
163 |
4.144 |
28.096 |
43.932 |
1.00 |
19.57 |
A |
ATOM |
6245 |
CA |
PHE |
A |
163 |
3.013 |
28.998 |
43.797 |
1.00 |
20.03 |
A |
ATOM |
6246 |
CB |
PHE |
A |
163 |
3.087 |
29.734 |
42.458 |
1.00 |
20.31 |
A |
ATOM |
6247 |
CG |
PHE |
A |
163 |
4.337 |
30.550 |
42.291 |
1.00 |
20.50 |
A |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
5.466 |
29.999 |
41.696 |
1.00 |
20.62 |
A |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
4.403 |
31.856 |
42.771 |
1.00 |
20.68 |
A |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
6.644 |
30.732 |
41.581 |
1.00 |
20.55 |
A |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
5.578 |
32.598 |
42.661 |
1.00 |
20.66 |
A |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
6.701 |
32.032 |
42.064 |
1.00 |
20.63 |
A |
ATOM |
6253 |
C |
PHE |
A |
163 |
1.669 |
28.302 |
43.933 |
1.00 |
20.28 |
A |
ATOM |
6254 |
O |
PHE |
A |
163 |
0.664 |
28.948 |
44.218 |
1.00 |
20.48 |
A |
ATOM |
6528 |
N |
THR |
A |
197 |
16.338 |
29.399 |
46.423 |
1.00 |
26.20 |
A |
ATOM |
6529 |
CA |
THR |
A |
197 |
15.751 |
30.609 |
45.863 |
1.00 |
25.74 |
A |
ATOM |
6530 |
CB |
THR |
A |
197 |
16.490 |
31.036 |
44.577 |
1.00 |
25.61 |
A |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
16.472 |
29.955 |
43.637 |
1.00 |
25.05 |
A |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
17.930 |
31.404 |
44.885 |
1.00 |
25.60 |
A |
ATOM |
6533 |
C |
THR |
A |
197 |
14.275 |
30.422 |
45.534 |
1.00 |
25.48 |
A |
ATOM |
6534 |
O |
THR |
A |
197 |
13.779 |
29.297 |
45.478 |
1.00 |
25.55 |
A |
ATOM |
6535 |
N |
LYS |
A |
198 |
13.579 |
31.533 |
45.321 |
1.00 |
25.39 |
A |
ATOM |
6536 |
CA |
LYS |
A |
198 |
12.158 |
31.503 |
44.987 |
1.00 |
25.33 |
A |
ATOM |
6537 |
CB |
LYS |
A |
198 |
11.588 |
32.923 |
44.977 |
1.00 |
25.43 |
A |
ATOM |
6538 |
CG |
LYS |
A |
198 |
10.103 |
32.992 |
44.646 |
1.00 |
25.92 |
A |
ATOM |
6539 |
CD |
LYS |
A |
198 |
9.614 |
34.427 |
44.597 |
1.00 |
26.17 |
A |
ATOM |
6540 |
CE |
LYS |
A |
198 |
8.186 |
34.502 |
44.089 |
1.00 |
26.49 |
A |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
7.712 |
35.915 |
43.956 |
1.00 |
26.69 |
A |
ATOM |
6542 |
C |
LYS |
A |
198 |
11.943 |
30.855 |
43.621 |
1.00 |
25.18 |
A |
ATOM |
6543 |
O |
LYS |
A |
198 |
11.110 |
29.962 |
43.473 |
1.00 |
24.95 |
A |
ATOM |
6544 |
N |
LEU |
A |
199 |
12.699 |
31.313 |
42.628 |
1.00 |
25.13 |
A |
ATOM |
6545 |
CA |
LEU |
A |
199 |
12.595 |
30.781 |
41.270 |
1.00 |
25.12 |
A |
ATOM |
6546 |
CB |
LEU |
A |
199 |
12.408 |
31.930 |
40.275 |
1.00 |
25.36 |
A |
ATOM |
6547 |
CG |
LEU |
A |
199 |
10.969 |
32.324 |
39.926 |
1.00 |
25.73 |
A |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
10.105 |
32.362 |
41.171 |
1.00 |
25.91 |
A |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
10.981 |
33.665 |
39.212 |
1.00 |
25.98 |
A |
ATOM |
6550 |
C |
LEU |
A |
199 |
13.812 |
29.952 |
40.870 |
1.00 |
25.09 |
A |
ATOM |
6551 |
O |
LEU |
A |
199 |
14.823 |
29.989 |
41.603 |
1.00 |
24.71 |
A |
ATOM |
6552 |
OXT |
LEU |
A |
199 |
13.742 |
29.281 |
39.817 |
1.00 |
24.81 |
A |
ATOM |
6613 |
N1 |
GSH |
H |
200 |
14.696 |
30.844 |
25.962 |
1.00 |
23.65 |
H |
ATOM |
6614 |
CA1 |
GSH |
H |
200 |
16.039 |
31.001 |
26.524 |
1.00 |
23.55 |
H |
ATOM |
6615 |
C1 |
GSH |
H |
200 |
16.542 |
29.694 |
27.171 |
1.00 |
23.17 |
H |
ATOM |
6616 |
O11 |
GSH |
H |
200 |
15.739 |
28.768 |
27.396 |
1.00 |
22.46 |
H |
ATOM |
6617 |
O12 |
GSH |
H |
200 |
17.802 |
29.693 |
27.562 |
1.00 |
22.86 |
H |
ATOM |
6618 |
CB1 |
GSH |
H |
200 |
15.985 |
32.066 |
27.622 |
1.00 |
23.81 |
H |
ATOM |
6619 |
CG1 |
GSH |
H |
200 |
15.892 |
33.498 |
27.090 |
1.00 |
24.34 |
H |
ATOM |
6620 |
CD1 |
GSH |
H |
200 |
15.490 |
34.394 |
28.280 |
1.00 |
23.98 |
H |
ATOM |
6621 |
OE1 |
GSH |
H |
200 |
14.442 |
35.015 |
28.215 |
1.00 |
24.41 |
H |
ATOM |
6622 |
N2 |
GSH |
H |
200 |
16.359 |
34.466 |
29.315 |
1.00 |
24.28 |
H |
ATOM |
6623 |
CA2 |
GSH |
H |
200 |
16.110 |
35.405 |
30.441 |
1.00 |
24.46 |
H |
ATOM |
6624 |
C2 |
GSH |
H |
200 |
16.959 |
36.558 |
30.276 |
1.00 |
24.90 |
H |
ATOM |
6625 |
O2 |
GSH |
H |
200 |
18.145 |
36.447 |
29.952 |
1.00 |
24.83 |
H |
ATOM |
6626 |
CB2 |
GSH |
H |
200 |
16.495 |
34.762 |
31.809 |
1.00 |
24.14 |
H |
ATOM |
6627 |
SG2 |
GSH |
H |
200 |
15.212 |
33.684 |
32.529 |
1.00 |
23.62 |
H |
ATOM |
6628 |
N3 |
GSH |
H |
200 |
16.418 |
37.764 |
30.605 |
1.00 |
25.69 |
H |
ATOM |
6629 |
CA3 |
GSH |
H |
200 |
17.234 |
39.007 |
30.688 |
1.00 |
26.56 |
H |
ATOM |
6630 |
C3 |
GSH |
H |
200 |
16.858 |
39.970 |
29.572 |
1.00 |
27.05 |
H |
ATOM |
6631 |
O31 |
GSH |
H |
200 |
17.544 |
41.013 |
29.478 |
1.00 |
27.21 |
H |
ATOM |
6632 |
O32 |
GSH |
H |
200 |
15.926 |
39.647 |
28.800 |
1.00 |
27.38 |
H |
ATOM |
6708 |
C1 |
U44 |
X |
201 |
12.551 |
37.412 |
34.770 |
1.00 |
51.36 |
X |
ATOM |
6709 |
C2 |
U44 |
X |
201 |
12.942 |
38.049 |
36.088 |
1.00 |
51.45 |
X |
ATOM |
6710 |
C3 |
U44 |
X |
201 |
13.074 |
36.818 |
37.021 |
1.00 |
51.46 |
X |
ATOM |
6711 |
C4 |
U44 |
X |
201 |
13.773 |
35.785 |
36.065 |
1.00 |
51.25 |
X |
ATOM |
6712 |
C5 |
U44 |
X |
201 |
13.862 |
36.633 |
34.758 |
1.00 |
51.32 |
X |
ATOM |
6713 |
C7 |
U44 |
X |
201 |
14.906 |
37.744 |
34.890 |
1.00 |
51.38 |
X |
ATOM |
6714 |
O6 |
U44 |
X |
201 |
14.219 |
38.627 |
35.787 |
1.00 |
51.43 |
X |
ATOM |
6715 |
C14 |
U44 |
X |
201 |
13.023 |
34.496 |
35.785 |
1.00 |
50.82 |
X |
ATOM |
6716 |
C16 |
U44 |
X |
201 |
13.358 |
33.226 |
36.116 |
1.00 |
50.17 |
X |
ATOM |
6717 |
C18 |
U44 |
X |
201 |
12.548 |
31.983 |
35.806 |
1.00 |
49.75 |
X |
ATOM |
6718 |
C20 |
U44 |
X |
201 |
12.422 |
31.711 |
34.291 |
1.00 |
49.34 |
X |
ATOM |
6719 |
C21 |
U44 |
X |
201 |
11.452 |
30.558 |
33.949 |
1.00 |
48.88 |
X |
ATOM |
6720 |
C24 |
U44 |
X |
201 |
12.111 |
29.171 |
34.031 |
1.00 |
48.50 |
X |
ATOM |
6721 |
C27 |
U44 |
X |
201 |
11.176 |
28.042 |
33.569 |
1.00 |
48.26 |
X |
ATOM |
6722 |
C30 |
U44 |
X |
201 |
11.730 |
26.655 |
33.911 |
1.00 |
47.93 |
X |
ATOM |
6723 |
O36 |
U44 |
X |
201 |
11.255 |
32.146 |
36.348 |
1.00 |
49.97 |
X |
ATOM |
6724 |
C39 |
U44 |
X |
201 |
13.871 |
37.120 |
38.326 |
1.00 |
51.81 |
X |
ATOM |
6725 |
C41 |
U44 |
X |
201 |
13.309 |
36.423 |
39.545 |
1.00 |
52.19 |
X |
ATOM |
6726 |
C44 |
U44 |
X |
201 |
12.673 |
36.957 |
40.612 |
1.00 |
52.52 |
X |
ATOM |
6727 |
C46 |
U44 |
X |
201 |
12.354 |
38.413 |
40.860 |
1.00 |
52.74 |
X |
ATOM |
6728 |
C48 |
U44 |
X |
201 |
11.089 |
38.600 |
41.702 |
1.00 |
52.91 |
X |
ATOM |
6729 |
C51 |
U44 |
X |
201 |
10.411 |
39.953 |
41.420 |
1.00 |
53.03 |
X |
ATOM |
6730 |
C54 |
U44 |
X |
201 |
8.878 |
39.832 |
41.396 |
1.00 |
53.12 |
X |
ATOM |
6731 |
O57 |
U44 |
X |
201 |
8.298 |
41.019 |
41.144 |
1.00 |
53.23 |
X |
ATOM |
6732 |
O58 |
U44 |
X |
201 |
8.266 |
38.823 |
41.572 |
1.00 |
53.07 |
X |
ATOM |
6734 |
CA + 2 |
CA2 |
M |
901 |
9.824 |
26.883 |
22.168 |
1.00 |
37.63 |
M |
ATOM |
6747 |
OH2 |
WAT |
S |
53 |
10.720 |
26.574 |
23.734 |
1.00 |
13.42 |
S |
ATOM |
6748 |
OH2 |
WAT |
S |
54 |
8.700 |
27.621 |
24.867 |
1.00 |
30.29 |
S |
ATOM |
6749 |
OH2 |
WAT |
S |
55 |
11.193 |
25.711 |
20.926 |
1.00 |
38.39 |
S |
ATOM |
6750 |
OH2 |
WAT |
S |
56 |
8.649 |
29.181 |
22.554 |
1.00 |
40.32 |
S |
ATOM |
6751 |
OH2 |
WAT |
S |
57 |
8.686 |
24.965 |
22.598 |
1.00 |
24.31 |
S |
ATOM |
6753 |
OH2 |
WAT |
S |
59 |
12.609 |
27.997 |
22.910 |
1.00 |
26.01 |
S |
ATOM |
6754 |
OH2 |
WAT |
S |
60 |
16.147 |
26.525 |
24.446 |
1.00 |
13.92 |
S |
ATOM |
6805 |
OH2 |
WAT |
S |
119 |
15.889 |
24.704 |
33.708 |
1.00 |
12.20 |
S |
ATOM |
6817 |
OH2 |
WAT |
S |
131 |
21.842 |
34.840 |
24.519 |
1.00 |
17.76 |
S |
ATOM |
6831 |
OH2 |
WAT |
S |
145 |
13.761 |
25.970 |
37.415 |
1.00 |
14.51 |
S |
ATOM |
6838 |
OH2 |
WAT |
S |
152 |
19.797 |
31.378 |
26.404 |
1.00 |
15.01 |
S |
ATOM |
6840 |
OH2 |
WAT |
S |
154 |
17.705 |
34.244 |
22.558 |
1.00 |
19.55 |
S |
ATOM |
6862 |
OH2 |
WAT |
S |
176 |
15.045 |
34.087 |
23.449 |
1.00 |
22.78 |
S |
ATOM |
6865 |
OH2 |
WAT |
S |
179 |
24.231 |
27.246 |
21.186 |
1.00 |
17.23 |
S |
ATOM |
6868 |
OH2 |
WAT |
S |
182 |
15.019 |
25.681 |
30.985 |
1.00 |
20.42 |
S |
ATOM |
6880 |
OH2 |
WAT |
S |
194 |
18.957 |
28.395 |
43.148 |
1.00 |
25.25 |
S |
ATOM |
6884 |
OH2 |
WAT |
S |
198 |
29.524 |
31.402 |
30.656 |
1.00 |
21.38 |
S |
ATOM |
6891 |
OH2 |
WAT |
S |
205 |
12.982 |
24.357 |
39.397 |
1.00 |
27.06 |
S |
ATOM |
6911 |
OH2 |
WAT |
S |
225 |
20.243 |
26.057 |
41.600 |
1.00 |
17.45 |
S |
ATOM |
6915 |
OH2 |
WAT |
S |
229 |
13.072 |
28.340 |
28.775 |
1.00 |
23.00 |
S |
ATOM |
6920 |
OH2 |
WAT |
S |
234 |
14.180 |
35.687 |
21.027 |
1.00 |
19.10 |
S |
ATOM |
6925 |
OH2 |
WAT |
S |
239 |
16.432 |
26.840 |
45.110 |
1.00 |
20.16 |
S |
ATOM |
6963 |
OH2 |
WAT |
S |
277 |
9.688 |
38.330 |
46.556 |
1.00 |
22.33 |
S |
ATOM |
6971 |
OH2 |
WAT |
S |
285 |
14.267 |
37.710 |
28.281 |
1.00 |
27.08 |
S |
ATOM |
6979 |
OH2 |
WAT |
S |
293 |
14.265 |
21.922 |
40.759 |
1.00 |
26.98 |
S |
ATOM |
7003 |
OH2 |
WAT |
S |
318 |
14.285 |
33.826 |
42.961 |
1.00 |
21.76 |
S |
ATOM |
7004 |
OH2 |
WAT |
S |
319 |
18.057 |
40.943 |
23.782 |
1.00 |
35.39 |
S |
ATOM |
7031 |
OH2 |
WAT |
S |
349 |
17.934 |
35.785 |
45.678 |
1.00 |
28.45 |
S |
ATOM |
7060 |
OH2 |
WAT |
S |
383 |
19.852 |
33.145 |
23.977 |
1.00 |
20.17 |
S |
ATOM |
7071 |
OH2 |
WAT |
S |
394 |
11.887 |
37.040 |
22.324 |
1.00 |
21.27 |
S |
ATOM |
7083 |
OH2 |
WAT |
S |
407 |
13.826 |
35.564 |
25.333 |
1.00 |
32.89 |
S |
ATOM |
7091 |
OH2 |
WAT |
S |
415 |
12.313 |
24.839 |
23.220 |
1.00 |
28.21 |
S |
ATOM |
7128 |
OH2 |
WAT |
S |
454 |
4.663 |
29.761 |
25.692 |
1.00 |
33.93 |
S |
ATOM |
7130 |
OH2 |
WAT |
S |
456 |
21.062 |
36.900 |
40.187 |
1.00 |
38.49 |
S |
ATOM |
7141 |
OH2 |
WAT |
S |
467 |
16.347 |
39.603 |
43.840 |
1.00 |
38.49 |
S |
ATOM |
7172 |
OH2 |
WAT |
S |
501 |
16.867 |
34.824 |
43.591 |
1.00 |
33.65 |
S |
ATOM |
7178 |
OH2 |
WAT |
S |
508 |
13.919 |
42.210 |
21.359 |
1.00 |
42.62 |
S |
ATOM |
7203 |
OH2 |
WAT |
S |
535 |
24.768 |
29.671 |
36.812 |
1.00 |
21.16 |
S |
ATOM |
7278 |
OH2 |
WAT |
S |
624 |
9.448 |
41.034 |
37.745 |
1.00 |
45.08 |
S |
ATOM |
7311 |
OH2 |
WAT |
S |
661 |
10.417 |
43.064 |
40.521 |
1.00 |
48.24 |
S |
ATOM |
7338 |
OH2 |
WAT |
S |
690 |
4.520 |
39.297 |
24.898 |
1.00 |
35.89 |
S |
ATOM |
7357 |
OH2 |
WAT |
S |
710 |
11.398 |
29.430 |
37.336 |
1.00 |
55.44 |
S |
ATOM |
7372 |
OH2 |
WAT |
S |
725 |
29.681 |
36.478 |
31.530 |
1.00 |
46.34 |
S |
ATOM |
7377 |
OH2 |
WAT |
S |
730 |
22.836 |
45.124 |
25.173 |
1.00 |
37.85 |
S |
ATOM |
7421 |
OH2 |
WAT |
S |
777 |
9.127 |
46.643 |
25.394 |
1.00 |
40.66 |
S |
ATOM |
7479 |
OH2 |
WAT |
S |
842 |
17.602 |
38.997 |
20.277 |
1.00 |
32.58 |
S |
ATOM |
7534 |
OH2 |
WAT |
S |
900 |
16.041 |
43.445 |
43.323 |
1.00 |
38.46 |
S |
ATOM |
7540 |
OH2 |
WAT |
S |
906 |
21.141 |
36.590 |
45.196 |
1.00 |
37.28 |
S |
ATOM |
7541 |
OH2 |
WAT |
S |
907 |
25.332 |
34.472 |
44.401 |
1.00 |
47.03 |
S |
ATOM |
7551 |
OH2 |
WAT |
S |
917 |
16.854 |
44.879 |
23.884 |
1.00 |
42.35 |
S |
ATOM |
7554 |
OH2 |
WAT |
S |
920 |
8.757 |
33.269 |
28.017 |
1.00 |
43.49 |
S |
ATOM |
7647 |
OH2 |
WAT |
T |
22 |
14.573 |
42.133 |
41.410 |
1.00 |
38.47 |
T |
ATOM |
7652 |
OH2 |
WAT |
T |
27 |
19.585 |
45.803 |
29.005 |
1.00 |
44.65 |
T |
ATOM |
7655 |
OH2 |
WAT |
T |
30 |
17.572 |
36.979 |
22.241 |
1.00 |
37.46 |
T |
ATOM |
7658 |
OH2 |
WAT |
T |
35 |
6.940 |
39.912 |
44.003 |
1.00 |
34.76 |
T |
|
-
TABLE 6 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with magnesium, |
glutathione and 9,11-dideoxy-9α,11α- |
epoxymethanoprostaglandine F2α(U44) |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
−24.963 |
2.816 |
34.571 |
1.00 |
17.22 |
A |
N |
ATOM |
4967 |
CA |
TYR |
A |
8 |
−23.542 |
2.548 |
34.744 |
1.00 |
17.23 |
A |
C |
ATOM |
4968 |
CB |
TYR |
A |
8 |
−22.782 |
3.882 |
34.816 |
1.00 |
18.03 |
A |
C |
ATOM |
4969 |
CG |
TYR |
A |
8 |
−21.275 |
3.759 |
34.770 |
1.00 |
16.45 |
A |
C |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
−20.632 |
3.243 |
33.642 |
1.00 |
15.64 |
A |
C |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
−19.248 |
3.117 |
33.595 |
1.00 |
15.32 |
A |
C |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
−20.491 |
4.152 |
35.854 |
1.00 |
15.73 |
A |
C |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
−19.101 |
4.032 |
35.821 |
1.00 |
16.61 |
A |
C |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
−18.486 |
3.511 |
34.688 |
1.00 |
15.90 |
A |
C |
ATOM |
4975 |
OH |
TYR |
A |
8 |
−17.116 |
3.369 |
34.652 |
1.00 |
14.22 |
A |
O |
ATOM |
4976 |
C |
TYR |
A |
8 |
−23.334 |
1.757 |
36.033 |
1.00 |
18.22 |
A |
C |
ATOM |
4977 |
O |
TYR |
A |
8 |
−24.286 |
1.500 |
36.765 |
1.00 |
18.88 |
A |
O |
ATOM |
4978 |
N |
PHE |
A |
9 |
−22.090 |
1.365 |
36.297 |
1.00 |
19.45 |
A |
N |
ATOM |
4979 |
CA |
PHE |
A |
9 |
−21.755 |
0.631 |
37.511 |
1.00 |
18.46 |
A |
C |
ATOM |
4980 |
CB |
PHE |
A |
9 |
−20.326 |
0.086 |
37.442 |
1.00 |
20.61 |
A |
C |
ATOM |
4981 |
CG |
PHE |
A |
9 |
−20.127 |
−0.989 |
36.416 |
1.00 |
21.63 |
A |
C |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
−19.215 |
−0.817 |
35.380 |
1.00 |
23.34 |
A |
C |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
−20.830 |
−2.184 |
36.497 |
1.00 |
23.29 |
A |
C |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
−19.003 |
−1.824 |
34.439 |
1.00 |
23.36 |
A |
C |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
−20.627 |
−3.197 |
35.564 |
1.00 |
23.79 |
A |
C |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
−19.710 |
−3.016 |
34.531 |
1.00 |
24.43 |
A |
C |
ATOM |
4987 |
C |
PHE |
A |
9 |
−21.844 |
1.610 |
38.669 |
1.00 |
19.26 |
A |
C |
ATOM |
4988 |
O |
PHE |
A |
9 |
−22.025 |
2.812 |
38.457 |
1.00 |
18.28 |
A |
O |
ATOM |
4989 |
N |
ASN |
A |
10 |
−21.720 |
1.102 |
39.892 |
1.00 |
19.26 |
A |
N |
ATOM |
4990 |
CA |
ASN |
A |
10 |
−21.768 |
1.967 |
41.062 |
1.00 |
20.39 |
A |
C |
ATOM |
4991 |
CB |
ASN |
A |
10 |
−22.307 |
1.229 |
42.289 |
1.00 |
19.56 |
A |
C |
ATOM |
4992 |
CG |
ASN |
A |
10 |
−22.172 |
2.053 |
43.558 |
1.00 |
20.32 |
A |
C |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
−22.514 |
3.239 |
43.580 |
1.00 |
20.34 |
A |
O |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
−21.675 |
1.432 |
44.618 |
1.00 |
19.12 |
A |
N |
ATOM |
4995 |
C |
ASN |
A |
10 |
−20.382 |
2.503 |
41.374 |
1.00 |
20.96 |
A |
C |
ATOM |
4996 |
O |
ASN |
A |
10 |
−19.672 |
1.971 |
42.228 |
1.00 |
20.75 |
A |
O |
ATOM |
4997 |
N |
MET |
A |
11 |
−19.998 |
3.547 |
40.651 |
1.00 |
21.28 |
A |
N |
ATOM |
4998 |
CA |
MET |
A |
11 |
−18.712 |
4.202 |
40.837 |
1.00 |
21.14 |
A |
C |
ATOM |
4999 |
CB |
MET |
A |
11 |
−17.558 |
3.255 |
40.479 |
1.00 |
24.46 |
A |
C |
ATOM |
5000 |
CG |
MET |
A |
11 |
−17.593 |
2.644 |
39.097 |
1.00 |
28.37 |
A |
C |
ATOM |
5001 |
SD |
MET |
A |
11 |
−16.405 |
1.269 |
38.962 |
1.00 |
31.57 |
A |
S |
ATOM |
5002 |
CE |
MET |
A |
11 |
−17.463 |
−0.102 |
39.381 |
1.00 |
33.95 |
A |
C |
ATOM |
5003 |
C |
MET |
A |
11 |
−18.690 |
5.449 |
39.971 |
1.00 |
17.84 |
A |
C |
ATOM |
5004 |
O |
MET |
A |
11 |
−19.542 |
5.614 |
39.102 |
1.00 |
17.49 |
A |
O |
ATOM |
5005 |
N |
ARG |
A |
12 |
−17.747 |
6.346 |
40.230 |
1.00 |
15.79 |
A |
N |
ATOM |
5006 |
CA |
ARG |
A |
12 |
−17.652 |
7.567 |
39.440 |
1.00 |
14.18 |
A |
C |
ATOM |
5007 |
CB |
ARG |
A |
12 |
−16.607 |
8.512 |
40.040 |
1.00 |
13.02 |
A |
C |
ATOM |
5008 |
CG |
ARG |
A |
12 |
−16.888 |
8.917 |
41.491 |
1.00 |
15.40 |
A |
C |
ATOM |
5009 |
CD |
ARG |
A |
12 |
−15.857 |
9.928 |
41.986 |
1.00 |
14.27 |
A |
C |
ATOM |
5010 |
NE |
ARG |
A |
12 |
−14.488 |
9.425 |
41.848 |
1.00 |
15.20 |
A |
N |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
−13.945 |
8.494 |
42.627 |
1.00 |
14.91 |
A |
C |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
−14.649 |
7.957 |
43.613 |
1.00 |
15.94 |
A |
N |
ATOM |
5013 |
NH2 |
ARG |
A |
2 |
−12.700 |
8.094 |
42.416 |
1.00 |
14.17 |
A |
N |
ATOM |
5014 |
C |
ARG |
A |
12 |
−17.258 |
7.170 |
38.020 |
1.00 |
14.06 |
A |
C |
ATOM |
5015 |
O |
ARG |
A |
12 |
−18.014 |
7.373 |
37.076 |
1.00 |
12.72 |
A |
O |
ATOM |
5016 |
N |
GLY |
A |
13 |
−16.067 |
6.598 |
37.889 |
1.00 |
13.50 |
A |
N |
ATOM |
5017 |
CA |
GLY |
A |
13 |
−15.581 |
6.151 |
36.598 |
1.00 |
13.43 |
A |
C |
ATOM |
5018 |
C |
GLY |
A |
13 |
−15.880 |
7.031 |
35.397 |
1.00 |
11.86 |
A |
C |
ATOM |
5019 |
O |
GLY |
A |
13 |
−15.654 |
8.240 |
35.420 |
1.00 |
10.45 |
A |
O |
ATOM |
5020 |
N |
ARG |
A |
14 |
−16.398 |
6.406 |
34.343 |
1.00 |
11.37 |
A |
N |
ATOM |
5021 |
CA |
ARG |
A |
14 |
−16.708 |
7.100 |
33.096 |
1.00 |
12.46 |
A |
C |
ATOM |
5022 |
CB |
ARG |
A |
14 |
−16.606 |
6.111 |
31.928 |
1.00 |
11.33 |
A |
C |
ATOM |
5023 |
CG |
ARG |
A |
14 |
−15.177 |
5.691 |
31.628 |
1.00 |
13.46 |
A |
C |
ATOM |
5024 |
CD |
ARG |
A |
14 |
−15.077 |
4.572 |
30.606 |
1.00 |
17.48 |
A |
C |
ATOM |
5025 |
NE |
ARG |
A |
14 |
−13.738 |
4.519 |
30.019 |
1.00 |
20.64 |
A |
N |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
−12.890 |
3.499 |
30.132 |
1.00 |
22.84 |
A |
C |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
−13.224 |
2.410 |
30.817 |
1.00 |
23.14 |
A |
N |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
−11.696 |
3.575 |
29.559 |
1.00 |
23.88 |
A |
N |
ATOM |
5029 |
C |
ARG |
A |
14 |
−18.058 |
7.809 |
33.049 |
1.00 |
11.90 |
A |
C |
ATOM |
5030 |
O |
ARG |
A |
14 |
−18.353 |
8.511 |
32.087 |
1.00 |
12.49 |
A |
O |
ATOM |
5031 |
N |
ALA |
A |
15 |
−18.871 |
7.637 |
34.084 |
1.00 |
12.15 |
A |
N |
ATOM |
5032 |
CA |
ALA |
A |
15 |
−20.190 |
8.263 |
34.118 |
1.00 |
12.60 |
A |
C |
ATOM |
5033 |
CB |
ALA |
A |
15 |
−21.206 |
7.305 |
34.762 |
1.00 |
13.45 |
A |
C |
ATOM |
5034 |
C |
ALA |
A |
15 |
−20.199 |
9.592 |
34.866 |
1.00 |
11.68 |
A |
C |
ATOM |
5035 |
O |
ALA |
A |
15 |
−21.085 |
10.423 |
34.658 |
1.00 |
11.89 |
A |
O |
ATOM |
5036 |
N |
GLU |
A |
16 |
−19.209 |
9.795 |
35.727 |
1.00 |
13.81 |
A |
N |
ATOM |
5037 |
CA |
GLU |
A |
16 |
−19.141 |
11.007 |
36.534 |
1.00 |
13.28 |
A |
C |
ATOM |
5038 |
CB |
GLU |
A |
16 |
−17.877 |
10.986 |
37.399 |
1.00 |
12.67 |
A |
C |
ATOM |
5039 |
CG |
GLU |
A |
16 |
−17.971 |
11.841 |
38.672 |
1.00 |
13.36 |
A |
C |
ATOM |
5040 |
CD |
GLU |
A |
16 |
−19.146 |
11.457 |
39.575 |
1.00 |
13.41 |
A |
C |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
−19.695 |
10.345 |
39.422 |
1.00 |
12.47 |
A |
O |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
−19.512 |
12.266 |
40.452 |
1.00 |
14.67 |
A |
O |
ATOM |
5043 |
C |
GLU |
A |
16 |
−19.216 |
12.314 |
35.748 |
1.00 |
13.25 |
A |
C |
ATOM |
5044 |
O |
GLU |
A |
16 |
−19.903 |
13.245 |
36.167 |
1.00 |
11.55 |
A |
O |
ATOM |
5045 |
N |
ILE |
A |
17 |
−18.521 |
12.393 |
34.614 |
1.00 |
12.65 |
A |
N |
ATOM |
5046 |
CA |
ILE |
A |
17 |
−18.549 |
13.621 |
33.823 |
1.00 |
12.45 |
A |
C |
ATOM |
5047 |
CB |
ILE |
A |
17 |
−17.659 |
13.507 |
32.548 |
1.00 |
11.09 |
A |
C |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
−18.158 |
12.384 |
31.642 |
1.00 |
9.92 |
A |
C |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
−17.663 |
14.836 |
31.790 |
1.00 |
11.02 |
A |
C |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
−17.127 |
16.025 |
32.594 |
1.00 |
13.12 |
A |
C |
ATOM |
5051 |
C |
ILE |
A |
17 |
−19.981 |
13.984 |
33.430 |
1.00 |
12.64 |
A |
C |
ATOM |
5052 |
O |
ILE |
A |
17 |
−20.348 |
15.155 |
33.421 |
1.00 |
13.53 |
A |
O |
ATOM |
5242 |
N |
TRP |
A |
39 |
−24.802 |
−7.318 |
35.073 |
1.00 |
35.03 |
A |
N |
ATOM |
5243 |
CA |
TRP |
A |
39 |
−24.074 |
−6.905 |
33.874 |
1.00 |
33.95 |
A |
C |
ATOM |
5244 |
CB |
TRP |
A |
39 |
−22.586 |
−6.705 |
34.193 |
1.00 |
30.71 |
A |
C |
ATOM |
5245 |
G |
TRP |
A |
39 |
−21.787 |
−6.208 |
33.021 |
1.00 |
27.71 |
A |
C |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
−22.182 |
−5.206 |
32.072 |
1.00 |
26.24 |
A |
C |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
−21.134 |
−5.085 |
31.130 |
1.00 |
27.24 |
A |
C |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
−23.319 |
−4.401 |
31.925 |
1.00 |
25.00 |
A |
C |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
−20.549 |
−6.637 |
32.630 |
1.00 |
28.16 |
A |
C |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
−20.152 |
−5.969 |
31.493 |
1.00 |
28.63 |
A |
N |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
−21.191 |
−4.191 |
30.054 |
1.00 |
26.14 |
A |
C |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
−23.377 |
−3.511 |
30.850 |
1.00 |
24.88 |
A |
C |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
−22.318 |
−3.416 |
29.931 |
1.00 |
25.30 |
A |
C |
ATOM |
5254 |
C |
TRP |
A |
39 |
−24.217 |
−7.861 |
32.683 |
1.00 |
34.33 |
A |
C |
ATOM |
5255 |
O |
TRP |
A |
39 |
−24.633 |
−7.451 |
31.600 |
1.00 |
34.30 |
A |
O |
ATOM |
5256 |
N |
PRO |
A |
40 |
−23.880 |
−9.149 |
32.869 |
1.00 |
35.19 |
A |
N |
ATOM |
5257 |
CD |
PRO |
A |
40 |
−23.513 |
−9.824 |
34.128 |
1.00 |
35.28 |
A |
C |
ATOM |
5258 |
CA |
PRO |
A |
40 |
−23.985 |
−10.120 |
31.775 |
1.00 |
35.54 |
A |
C |
ATOM |
5259 |
CB |
PRO |
A |
40 |
−23.906 |
−11.460 |
32.499 |
1.00 |
36.12 |
A |
C |
ATOM |
5260 |
CG |
PRO |
A |
40 |
−22.984 |
−11.156 |
33.638 |
1.00 |
36.50 |
A |
C |
ATOM |
5261 |
C |
PRO |
A |
40 |
−25.259 |
−9.985 |
30.946 |
1.00 |
35.56 |
A |
C |
ATOM |
5262 |
O |
PRO |
A |
40 |
−25.200 |
−9.824 |
29.727 |
1.00 |
36.61 |
A |
O |
ATOM |
5263 |
N |
GLU |
A |
41 |
−26.406 |
−10.043 |
31.614 |
1.00 |
34.82 |
A |
N |
ATOM |
5264 |
CA |
GLU |
A |
41 |
−27.693 |
−9.942 |
30.935 |
1.00 |
35.20 |
A |
C |
ATOM |
5265 |
CB |
GLU |
A |
41 |
−28.833 |
−10.189 |
31.931 |
1.00 |
37.14 |
A |
C |
ATOM |
5266 |
CG |
GLU |
A |
41 |
−30.221 |
−10.044 |
31.328 |
1.00 |
41.54 |
A |
C |
ATOM |
5267 |
CD |
GLU |
A |
41 |
−30.489 |
−11.046 |
30.219 |
1.00 |
44.14 |
A |
C |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
−31.529 |
−10.915 |
29.536 |
1.00 |
46.32 |
A |
O |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
−29.665 |
−11.967 |
30.030 |
1.00 |
45.36 |
A |
O |
ATOM |
5270 |
C |
GLU |
A |
41 |
−27.911 |
−8.603 |
30.237 |
1.00 |
33.75 |
A |
C |
ATOM |
5271 |
O |
GLU |
A |
41 |
−28.460 |
−8.553 |
29.135 |
1.00 |
34.40 |
A |
O |
ATOM |
5272 |
N |
ILE |
A |
42 |
−27.483 |
−7.521 |
30.880 |
1.00 |
31.53 |
A |
N |
ATOM |
5273 |
CA |
ILE |
A |
42 |
−27.648 |
−6.181 |
30.322 |
1.00 |
28.99 |
A |
C |
ATOM |
5274 |
CB |
ILE |
A |
42 |
−27.401 |
−5.106 |
31.402 |
1.00 |
28.48 |
A |
C |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
−27.689 |
−3.721 |
30.833 |
1.00 |
27.91 |
A |
C |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
−28.304 |
−5.369 |
32.608 |
1.00 |
27.61 |
A |
C |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
−27.975 |
−4.530 |
33.821 |
1.00 |
29.35 |
A |
C |
ATOM |
5278 |
C |
ILE |
A |
42 |
−26.709 |
−5.926 |
29.143 |
1.00 |
27.64 |
A |
C |
ATOM |
5279 |
O |
ILE |
A |
42 |
−27.114 |
−5.355 |
28.129 |
1.00 |
27.10 |
A |
O |
ATOM |
5280 |
N |
LYS |
A |
43 |
−25.459 |
−6.353 |
29.283 |
1.00 |
26.84 |
A |
N |
ATOM |
5281 |
CA |
LYS |
A |
43 |
−24.457 |
−6.173 |
28.237 |
1.00 |
27.71 |
A |
C |
ATOM |
5282 |
CB |
LYS |
A |
43 |
−23.160 |
−6.886 |
28.629 |
1.00 |
26.22 |
A |
C |
ATOM |
5283 |
CG |
LYS |
A |
43 |
−22.062 |
−6.814 |
27.579 |
1.00 |
23.72 |
A |
C |
ATOM |
5284 |
CD |
LYS |
A |
43 |
−20.871 |
−7.669 |
27.981 |
1.00 |
22.67 |
A |
C |
ATOM |
5285 |
CE |
LYS |
A |
43 |
−19.747 |
−7.576 |
26.965 |
1.00 |
23.33 |
A |
C |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
−19.134 |
−6.217 |
26.936 |
1.00 |
21.56 |
A |
N |
ATOM |
5287 |
C |
LYS |
A |
43 |
−24.940 |
−6.708 |
26.893 |
1.00 |
28.75 |
A |
C |
ATOM |
5288 |
O |
LYS |
A |
43 |
−24.719 |
−6.090 |
25.852 |
1.00 |
28.75 |
A |
O |
ATOM |
5328 |
N |
GLY |
A |
49 |
−22.268 |
−3.248 |
23.763 |
1.00 |
15.23 |
A |
N |
ATOM |
5329 |
CA |
GLY |
A |
49 |
−21.927 |
−3.903 |
25.015 |
1.00 |
15.04 |
A |
C |
ATOM |
5330 |
C |
GLY |
A |
49 |
−21.064 |
−3.144 |
26.005 |
1.00 |
15.33 |
A |
C |
ATOM |
5331 |
O |
GLY |
A |
49 |
−20.313 |
−3.754 |
26.768 |
1.00 |
15.11 |
A |
O |
ATOM |
5332 |
N |
LYS |
A |
50 |
−21.169 |
−1.821 |
26.007 |
1.00 |
13.57 |
A |
N |
ATOM |
5333 |
CA |
LYS |
A |
50 |
−20.380 |
−1.008 |
26.926 |
1.00 |
14.57 |
A |
C |
ATOM |
5334 |
CB |
LYS |
A |
50 |
−19.259 |
−0.274 |
26.173 |
1.00 |
15.57 |
A |
C |
ATOM |
5335 |
CG |
LYS |
A |
50 |
−18.310 |
−1.166 |
25.391 |
1.00 |
18.60 |
A |
C |
ATOM |
5336 |
CD |
LYS |
A |
50 |
−17.505 |
−2.069 |
26.308 |
1.00 |
21.95 |
A |
C |
ATOM |
5337 |
CE |
LYS |
A |
50 |
−16.603 |
−2.992 |
25.504 |
1.00 |
24.43 |
A |
C |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
−15.681 |
−2.218 |
24.631 |
1.00 |
25.99 |
A |
N |
ATOM |
5339 |
C |
LYS |
A |
50 |
−21.246 |
0.030 |
27.625 |
1.00 |
14.42 |
A |
C |
ATOM |
5340 |
O |
LYS |
A |
50 |
−22.253 |
0.488 |
27.081 |
1.00 |
14.19 |
A |
O |
ATOM |
5341 |
N |
ILE |
A |
51 |
−20.848 |
0.394 |
28.840 |
1.00 |
14.37 |
A |
N |
ATOM |
5342 |
CA |
ILE |
A |
51 |
−21.553 |
1.416 |
29.597 |
1.00 |
14.74 |
A |
C |
ATOM |
5343 |
CB |
ILE |
A |
51 |
−22.203 |
0.840 |
30.876 |
1.00 |
15.30 |
A |
C |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
−23.403 |
−0.008 |
30.497 |
1.00 |
17.79 |
A |
C |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
−21.187 |
0.020 |
31.675 |
1.00 |
15.08 |
A |
C |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
−21.764 |
−0.585 |
32.950 |
1.00 |
15.84 |
A |
C |
ATOM |
5347 |
C |
ILE |
A |
51 |
−20.526 |
2.490 |
29.949 |
1.00 |
14.66 |
A |
C |
ATOM |
5348 |
O |
ILE |
A |
51 |
−19.324 |
2.232 |
29.931 |
1.00 |
16.06 |
A |
O |
ATOM |
5349 |
N |
PRO |
A |
52 |
−20.982 |
3.700 |
30.299 |
1.00 |
15.26 |
A |
N |
ATOM |
5350 |
CD |
PRO |
A |
52 |
−20.083 |
4.841 |
30.562 |
1.00 |
16.04 |
A |
C |
ATOM |
5351 |
CA |
PRO |
A |
52 |
−22.379 |
4.124 |
30.396 |
1.00 |
15.40 |
A |
C |
ATOM |
5352 |
CB |
PRO |
A |
52 |
−22.276 |
5.409 |
31.197 |
1.00 |
15.83 |
A |
C |
ATOM |
5353 |
CG |
PRO |
A |
52 |
−21.045 |
6.024 |
30.593 |
1.00 |
15.77 |
A |
C |
ATOM |
5354 |
C |
PRO |
A |
52 |
−23.101 |
4.365 |
29.080 |
1.00 |
16.83 |
A |
C |
ATOM |
5355 |
O |
PRO |
A |
52 |
−22.492 |
4.484 |
28.015 |
1.00 |
14.90 |
A |
O |
ATOM |
5356 |
N |
ILE |
A |
53 |
−24.420 |
4.438 |
29.188 |
1.00 |
17.77 |
A |
N |
ATOM |
5357 |
CA |
ILE |
A |
53 |
−25.288 |
4.730 |
28.067 |
1.00 |
18.90 |
A |
C |
ATOM |
5358 |
CB |
ILE |
A |
53 |
−26.045 |
3.483 |
27.563 |
1.00 |
20.61 |
A |
C |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
−25.054 |
2.435 |
27.075 |
1.00 |
20.84 |
A |
C |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
−26.938 |
2.928 |
28.675 |
1.00 |
21.82 |
A |
C |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
−27.891 |
1.842 |
28.211 |
1.00 |
24.03 |
A |
C |
ATOM |
5362 |
C |
ILE |
A |
53 |
−26.286 |
5.708 |
28.662 |
1.00 |
18.88 |
A |
C |
ATOM |
5363 |
O |
ILE |
A |
53 |
−26.494 |
5.722 |
29.878 |
1.00 |
18.43 |
A |
O |
ATOM |
5423 |
N |
HIS |
A |
62 |
−24.373 |
6.192 |
23.498 |
1.00 |
15.70 |
A |
N |
ATOM |
5424 |
CA |
HIS |
A |
62 |
−23.236 |
5.561 |
24.160 |
1.00 |
15.77 |
A |
C |
ATOM |
5425 |
CB |
HIS |
A |
62 |
−22.957 |
4.167 |
23.568 |
1.00 |
15.57 |
A |
C |
ATOM |
5426 |
CG |
HIS |
A |
62 |
−22.517 |
4.179 |
22.134 |
1.00 |
14.35 |
A |
C |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
−21.358 |
3.778 |
21.556 |
1.00 |
15.17 |
A |
C |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
−23.332 |
4.598 |
21.104 |
1.00 |
17.10 |
A |
N |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
−22.697 |
4.451 |
19.953 |
1.00 |
14.96 |
A |
C |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
−21.498 |
3.955 |
20.200 |
1.00 |
15.48 |
A |
N |
ATOM |
5431 |
C |
HIS |
A |
62 |
−21.988 |
6.437 |
24.080 |
1.00 |
14.50 |
A |
C |
ATOM |
5432 |
O |
HIS |
A |
62 |
−22.007 |
7.489 |
23.442 |
1.00 |
13.29 |
A |
O |
ATOM |
5433 |
N |
GLN |
A |
63 |
−20.913 |
5.997 |
24.734 |
1.00 |
13.87 |
A |
N |
ATOM |
5434 |
CA |
GLN |
A |
63 |
−19.654 |
6.740 |
24.764 |
1.00 |
12.90 |
A |
C |
ATOM |
5435 |
CB |
GLN |
A |
63 |
−19.224 |
7.137 |
23.345 |
1.00 |
12.53 |
A |
C |
ATOM |
5436 |
CG |
GLN |
A |
63 |
−18.581 |
6.001 |
22.545 |
1.00 |
11.52 |
A |
C |
ATOM |
5437 |
CD |
GLN |
A |
63 |
−17.268 |
5.533 |
23.160 |
1.00 |
12.20 |
A |
C |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
−16.730 |
6.176 |
24.062 |
1.00 |
10.43 |
A |
O |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
−16.741 |
4.421 |
22.664 |
1.00 |
9.56 |
A |
N |
ATOM |
5440 |
C |
GLN |
A |
63 |
−19.805 |
7.976 |
25.653 |
1.00 |
13.56 |
A |
C |
ATOM |
5441 |
O |
GLN |
A |
63 |
−20.476 |
8.947 |
25.289 |
1.00 |
14.92 |
A |
O |
ATOM |
5442 |
N |
SER |
A |
64 |
−19.167 |
7.924 |
26.817 |
1.00 |
10.97 |
A |
N |
ATOM |
5443 |
CA |
SER |
A |
64 |
−19.236 |
8.993 |
27.807 |
1.00 |
10.05 |
A |
C |
ATOM |
5444 |
CB |
SER |
A |
64 |
−18.322 |
8.658 |
28.995 |
1.00 |
9.89 |
A |
C |
ATOM |
5445 |
OG |
SER |
A |
64 |
−16.955 |
8.727 |
28.627 |
1.00 |
8.82 |
A |
O |
ATOM |
5446 |
C |
SER |
A |
64 |
−18.932 |
10.411 |
27.323 |
1.00 |
8.80 |
A |
C |
ATOM |
5447 |
O |
SER |
A |
64 |
−19.674 |
11.339 |
27.636 |
1.00 |
9.79 |
A |
O |
ATOM |
5448 |
N |
LEU |
A |
65 |
−17.853 |
10.586 |
26.565 |
1.00 |
8.85 |
A |
N |
ATOM |
5449 |
CA |
LEU |
A |
65 |
−17.483 |
11.917 |
26.091 |
1.00 |
8.19 |
A |
C |
ATOM |
5450 |
CB |
LEU |
A |
65 |
−16.009 |
11.933 |
25.671 |
1.00 |
7.83 |
A |
C |
ATOM |
5451 |
CG |
LEU |
A |
65 |
−15.054 |
11.409 |
26.757 |
1.00 |
11.60 |
A |
C |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
−13.618 |
11.479 |
26.253 |
1.00 |
11.43 |
A |
C |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
−15.220 |
12.226 |
28.041 |
1.00 |
8.48 |
A |
C |
ATOM |
5454 |
C |
LEU |
A |
65 |
−18.374 |
12.419 |
24.956 |
1.00 |
10.81 |
A |
C |
ATOM |
5455 |
O |
LEU |
A |
65 |
−18.539 |
13.627 |
24.779 |
1.00 |
11.65 |
A |
O |
ATOM |
5662 |
N |
ASP |
A |
93 |
−9.664 |
14.664 |
25.566 |
1.00 |
7.26 |
A |
N |
ATOM |
5663 |
CA |
ASP |
A |
93 |
−9.071 |
13.449 |
25.009 |
1.00 |
6.80 |
A |
C |
ATOM |
5664 |
CB |
ASP |
A |
93 |
−9.016 |
13.526 |
23.476 |
1.00 |
7.94 |
A |
C |
ATOM |
5665 |
CG |
ASP |
A |
93 |
−10.318 |
13.092 |
22.823 |
1.00 |
9.46 |
A |
C |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
−10.361 |
12.988 |
21.577 |
1.00 |
10.43 |
A |
O |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
−11.302 |
12.855 |
23.556 |
1.00 |
6.66 |
A |
O |
ATOM |
5668 |
C |
ASP |
A |
93 |
−7.678 |
13.144 |
25.562 |
1.00 |
8.24 |
A |
C |
ATOM |
5669 |
O |
ASP |
A |
93 |
−7.325 |
11.979 |
25.751 |
1.00 |
8.03 |
A |
O |
ATOM |
5670 |
N |
THR |
A |
94 |
−6.879 |
14.179 |
25.808 |
1.00 |
7.87 |
A |
N |
ATOM |
5671 |
CA |
THR |
A |
94 |
−5.541 |
13.973 |
26.354 |
1.00 |
7.89 |
A |
C |
ATOM |
5672 |
CB |
THR |
A |
94 |
−4.753 |
15.305 |
26.444 |
1.00 |
8.49 |
A |
C |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
−4.329 |
15.693 |
25.125 |
1.00 |
8.47 |
A |
O |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
−3.520 |
15.155 |
27.342 |
1.00 |
8.64 |
A |
C |
ATOM |
5675 |
C |
THR |
A |
94 |
−5.679 |
13.342 |
27.740 |
1.00 |
8.60 |
A |
C |
ATOM |
5676 |
O |
THR |
A |
94 |
−4.912 |
12.455 |
28.110 |
1.00 |
8.25 |
A |
O |
ATOM |
5677 |
N |
LEU |
A |
95 |
−6.669 |
13.797 |
28.499 |
1.00 |
8.02 |
A |
N |
ATOM |
5678 |
CA |
LEU |
A |
95 |
−6.905 |
13.248 |
29.826 |
1.00 |
7.48 |
A |
C |
ATOM |
5679 |
CB |
LEU |
A |
95 |
−7.884 |
14.135 |
30.606 |
1.00 |
6.39 |
A |
C |
ATOM |
5680 |
CG |
LEU |
A |
95 |
−7.345 |
15.483 |
31.102 |
1.00 |
6.45 |
A |
C |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
−8.480 |
16.323 |
31.676 |
1.00 |
7.27 |
A |
C |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
−6.270 |
15.244 |
32.156 |
1.00 |
8.71 |
A |
C |
ATOM |
5683 |
C |
LEU |
A |
95 |
−7.464 |
11.829 |
29.700 |
1.00 |
8.84 |
A |
C |
ATOM |
5684 |
O |
LEU |
A |
95 |
−7.013 |
10.921 |
30.394 |
1.00 |
6.72 |
A |
O |
ATOM |
5685 |
N |
ASP |
A |
96 |
−8.426 |
11.639 |
28.794 |
1.00 |
9.13 |
A |
N |
ATOM |
5686 |
CA |
ASP |
A |
96 |
−9.042 |
10.328 |
28.600 |
1.00 |
8.40 |
A |
C |
ATOM |
5687 |
CB |
ASP |
A |
96 |
−10.213 |
10.421 |
27.614 |
1.00 |
9.89 |
A |
C |
ATOM |
5688 |
CG |
ASP |
A |
96 |
−11.200 |
9.271 |
27.768 |
1.00 |
8.95 |
A |
C |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
−11.674 |
9.046 |
28.903 |
1.00 |
11.48 |
A |
O |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
−11.515 |
8.599 |
26.761 |
1.00 |
8.48 |
A |
O |
ATOM |
5691 |
C |
ASP |
A |
96 |
−8.029 |
9.294 |
28.113 |
1.00 |
11.25 |
A |
C |
ATOM |
5692 |
O |
ASP |
A |
96 |
−8.083 |
8.129 |
28.516 |
1.00 |
11.68 |
A |
O |
ATOM |
5693 |
N |
ASP |
A |
97 |
−7.107 |
9.714 |
27.249 |
1.00 |
10.40 |
A |
N |
ATOM |
5694 |
CA |
ASP |
A |
97 |
−6.074 |
8.815 |
26.748 |
1.00 |
10.66 |
A |
C |
ATOM |
5695 |
CB |
ASP |
A |
97 |
−5.108 |
9.552 |
25.815 |
1.00 |
9.42 |
A |
C |
ATOM |
5696 |
CG |
ASP |
A |
97 |
−5.684 |
9.804 |
24.429 |
1.00 |
10.69 |
A |
C |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
−5.100 |
10.644 |
23.708 |
1.00 |
8.34 |
A |
O |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
−6.693 |
9.166 |
24.050 |
1.00 |
9.39 |
A |
O |
ATOM |
5699 |
C |
ASP |
A |
97 |
−5.266 |
8.241 |
27.914 |
1.00 |
10.28 |
A |
C |
ATOM |
5700 |
O |
ASP |
A |
97 |
−5.013 |
7.039 |
27.972 |
1.00 |
9.67 |
A |
O |
ATOM |
5701 |
N |
PHE |
A |
98 |
−4.856 |
9.106 |
28.839 |
1.00 |
11.06 |
A |
N |
ATOM |
5702 |
CA |
PHE |
A |
98 |
−4.057 |
8.667 |
29.984 |
1.00 |
13.17 |
A |
C |
ATOM |
5703 |
CB |
PHE |
A |
98 |
−3.508 |
9.871 |
30.767 |
1.00 |
12.79 |
A |
C |
ATOM |
5704 |
CG |
PHE |
A |
98 |
−2.540 |
9.487 |
31.861 |
1.00 |
14.46 |
A |
C |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
−1.365 |
8.800 |
31.558 |
1.00 |
14.40 |
A |
C |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
−2.817 |
9.781 |
33.191 |
1.00 |
15.98 |
A |
C |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
−0.480 |
8.409 |
32.568 |
1.00 |
17.26 |
A |
C |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
−1.938 |
9.394 |
34.214 |
1.00 |
16.31 |
A |
C |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
−0.769 |
8.706 |
33.899 |
1.00 |
14.31 |
A |
C |
ATOM |
5710 |
C |
PHE |
A |
98 |
−4.828 |
7.754 |
30.935 |
1.00 |
14.11 |
A |
C |
ATOM |
5711 |
O |
PHE |
A |
98 |
−4.308 |
6.731 |
31.381 |
1.00 |
14.82 |
A |
O |
ATOM |
5712 |
N |
MET |
A |
99 |
−6.063 |
8.125 |
31.252 |
1.00 |
14.73 |
A |
N |
ATOM |
5713 |
CA |
MET |
A |
99 |
−6.886 |
7.318 |
32.149 |
1.00 |
14.22 |
A |
C |
ATOM |
5714 |
CB |
MET |
A |
99 |
−8.225 |
8.013 |
32.420 |
1.00 |
15.31 |
A |
C |
ATOM |
5715 |
CG |
MET |
A |
99 |
−8.121 |
9.374 |
33.109 |
1.00 |
15.68 |
A |
C |
ATOM |
5716 |
SD |
MET |
A |
99 |
−7.267 |
9.310 |
34.694 |
1.00 |
15.84 |
A |
S |
ATOM |
5717 |
CE |
MET |
A |
99 |
−8.515 |
8.541 |
35.722 |
1.00 |
16.08 |
A |
C |
ATOM |
5718 |
C |
MET |
A |
99 |
−7.150 |
5.939 |
31.548 |
1.00 |
16.86 |
A |
C |
ATOM |
5719 |
O |
MET |
A |
99 |
−7.220 |
4.939 |
32.267 |
1.00 |
14.67 |
A |
O |
ATOM |
5720 |
N |
SER |
A |
100 |
−7.292 |
5.892 |
30.225 |
1.00 |
16.11 |
A |
N |
ATOM |
5721 |
CA |
SER |
A |
100 |
−7.561 |
4.641 |
29.523 |
1.00 |
16.96 |
A |
C |
ATOM |
5722 |
CB |
SER |
A |
100 |
−8.084 |
4.936 |
28.115 |
1.00 |
16.86 |
A |
C |
ATOM |
5723 |
OG |
SER |
A |
100 |
−9.356 |
5.556 |
28.184 |
1.00 |
16.40 |
A |
O |
ATOM |
5724 |
C |
SER |
A |
100 |
−6.350 |
3.717 |
29.442 |
1.00 |
19.01 |
A |
C |
ATOM |
5725 |
O |
SER |
A |
100 |
−6.489 |
2.528 |
29.149 |
1.00 |
19.47 |
A |
O |
ATOM |
5726 |
N |
CYS |
A |
101 |
−5.166 |
4.262 |
29.697 |
1.00 |
20.58 |
A |
N |
ATOM |
5727 |
CA |
CYS |
A |
101 |
−3.944 |
3.464 |
29.665 |
1.00 |
23.67 |
A |
C |
ATOM |
5728 |
CB |
CYS |
A |
101 |
−2.707 |
4.368 |
29.693 |
1.00 |
26.07 |
A |
C |
ATOM |
5729 |
SG |
CYS |
A |
101 |
−2.263 |
5.097 |
28.099 |
1.00 |
30.40 |
A |
S |
ATOM |
5730 |
C |
CYS |
A |
101 |
−3.876 |
2.484 |
30.836 |
1.00 |
23.47 |
A |
C |
ATOM |
5731 |
O |
CYS |
A |
101 |
−3.257 |
1.426 |
30.729 |
1.00 |
24.00 |
A |
O |
ATOM |
5732 |
N |
PHE |
A |
102 |
−4.504 |
2.833 |
31.953 |
1.00 |
23.47 |
A |
N |
ATOM |
5733 |
CA |
PHE |
A |
102 |
−4.485 |
1.955 |
33.117 |
1.00 |
24.57 |
A |
C |
ATOM |
5734 |
CB |
PHE |
A |
102 |
−5.012 |
2.681 |
34.360 |
1.00 |
22.30 |
A |
C |
ATOM |
5735 |
CG |
PHE |
A |
102 |
−4.128 |
3.798 |
34.832 |
1.00 |
21.46 |
A |
C |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
−4.099 |
5.014 |
34.158 |
1.00 |
20.64 |
A |
C |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
−3.313 |
3.631 |
35.949 |
1.00 |
20.02 |
A |
C |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
−3.267 |
6.055 |
34.590 |
1.00 |
21.12 |
A |
C |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
−2.480 |
4.662 |
36.387 |
1.00 |
20.36 |
A |
C |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
−2.458 |
5.875 |
35.705 |
1.00 |
18.32 |
A |
C |
ATOM |
5741 |
C |
PHE |
A |
102 |
−5.313 |
0.698 |
32.881 |
1.00 |
25.48 |
A |
C |
ATOM |
5742 |
O |
PHE |
A |
102 |
−6.423 |
0.765 |
32.358 |
1.00 |
25.08 |
A |
O |
ATOM |
5743 |
N |
PRO |
A |
103 |
−4.773 |
−0.471 |
33.259 |
1.00 |
27.90 |
A |
N |
ATOM |
5744 |
CD |
PRO |
A |
103 |
−3.398 |
−0.682 |
33.750 |
1.00 |
27.31 |
A |
C |
ATOM |
5745 |
CA |
PRO |
A |
103 |
−5.466 |
−1.751 |
33.090 |
1.00 |
29.68 |
A |
C |
ATOM |
5746 |
CB |
PRO |
A |
103 |
−4.323 |
−2.753 |
33.124 |
1.00 |
28.70 |
A |
C |
ATOM |
5747 |
CG |
PRO |
A |
103 |
−3.410 |
−2.145 |
34.142 |
1.00 |
28.84 |
A |
C |
ATOM |
5748 |
C |
PRO |
A |
103 |
−6.471 |
−1.975 |
34.220 |
1.00 |
31.64 |
A |
C |
ATOM |
5749 |
O |
PRO |
A |
103 |
−6.208 |
−2.740 |
35.150 |
1.00 |
32.46 |
A |
O |
ATOM |
5750 |
N |
TRP |
A |
104 |
−7.619 |
−1.308 |
34.132 |
1.00 |
33.14 |
A |
N |
ATOM |
5751 |
CA |
TRP |
A |
104 |
−8.652 |
−1.416 |
35.157 |
1.00 |
34.92 |
A |
C |
ATOM |
5752 |
CB |
TRP |
A |
104 |
−9.740 |
−0.360 |
34.936 |
1.00 |
34.59 |
A |
C |
ATOM |
5753 |
CG |
TRP |
A |
104 |
−9.223 |
1.041 |
34.784 |
1.00 |
33.67 |
A |
C |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
−8.909 |
1.959 |
35.838 |
1.00 |
32.46 |
A |
C |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
−8.451 |
3.149 |
35.233 |
1.00 |
33.36 |
A |
C |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
−8.970 |
1.891 |
37.237 |
1.00 |
32.51 |
A |
C |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
−8.949 |
1.692 |
33.615 |
1.00 |
33.31 |
A |
C |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
−8.486 |
2.960 |
33.876 |
1.00 |
33.69 |
A |
N |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
−8.057 |
4.265 |
35.980 |
1.00 |
33.19 |
A |
C |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
−8.577 |
3.002 |
37.979 |
1.00 |
31.26 |
A |
C |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
−8.127 |
4.171 |
37.347 |
1.00 |
32.36 |
A |
C |
ATOM |
5762 |
C |
TRP |
A |
104 |
−9.314 |
−2.787 |
35.225 |
1.00 |
36.55 |
A |
C |
ATOM |
5763 |
O |
TRP |
A |
104 |
−9.542 |
−3.317 |
36.312 |
1.00 |
36.03 |
A |
O |
ATOM |
5764 |
N |
ALA |
A |
105 |
−9.629 |
−3.353 |
34.064 |
1.00 |
39.05 |
A |
N |
ATOM |
5765 |
CA |
ALA |
A |
105 |
−10.285 |
−4.657 |
34.001 |
1.00 |
41.04 |
A |
C |
ATOM |
5766 |
CB |
ALA |
A |
105 |
−11.224 |
−4.709 |
32.801 |
1.00 |
41.47 |
A |
C |
ATOM |
5767 |
C |
ALA |
A |
105 |
−9.293 |
−5.812 |
33.936 |
1.00 |
42.49 |
A |
C |
ATOM |
5768 |
O |
ALA |
A |
105 |
−9.615 |
−6.891 |
33.436 |
1.00 |
43.00 |
A |
O |
ATOM |
5769 |
N |
GLU |
A |
106 |
−8.087 |
−5.583 |
34.443 |
1.00 |
43.51 |
A |
N |
ATOM |
5770 |
CA |
GLU |
A |
106 |
−7.055 |
−6.610 |
34.442 |
1.00 |
44.47 |
A |
C |
ATOM |
5771 |
CB |
GLU |
A |
106 |
−5.669 |
−5.960 |
34.381 |
1.00 |
44.70 |
A |
C |
ATOM |
5772 |
CG |
GLU |
A |
106 |
−4.502 |
−6.940 |
34.373 |
1.00 |
45.21 |
A |
C |
ATOM |
5773 |
CD |
GLU |
A |
106 |
−4.626 |
−7.993 |
33.289 |
1.00 |
46.80 |
A |
C |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
−5.375 |
−8.974 |
33.490 |
1.00 |
47.31 |
A |
O |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
−3.982 |
−7.837 |
32.230 |
1.00 |
46.33 |
A |
O |
ATOM |
5776 |
|
GLU |
A |
106 |
−7.170 |
−7.483 |
35.688 |
1.00 |
44.69 |
A |
C |
ATOM |
5777 |
O |
GLU |
A |
106 |
−7.174 |
−6.980 |
36.812 |
1.00 |
43.85 |
A |
O |
ATOM |
5778 |
N |
LYS |
A |
107 |
−7.275 |
−8.791 |
35.477 |
1.00 |
46.22 |
A |
N |
ATOM |
5779 |
CA |
LYS |
A |
107 |
−7.386 |
−9.744 |
36.576 |
1.00 |
47.90 |
A |
C |
ATOM |
5780 |
CB |
LYS |
A |
107 |
−8.160 |
−10.985 |
36.124 |
1.00 |
48.02 |
A |
C |
ATOM |
5781 |
CG |
LYS |
A |
107 |
−9.649 |
−10.743 |
35.925 |
1.00 |
48.88 |
A |
C |
ATOM |
5782 |
CD |
LYS |
A |
107 |
−10.315 |
−10.333 |
37.233 |
1.00 |
49.71 |
A |
C |
ATOM |
5783 |
CE |
LYS |
A |
107 |
−11.799 |
−10.060 |
37.043 |
1.00 |
50.86 |
A |
C |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
−12.534 |
−11.251 |
36.534 |
1.00 |
51.17 |
A |
N |
ATOM |
5785 |
C |
LYS |
A |
107 |
−6.010 |
−10.148 |
37.096 |
1.00 |
48.88 |
A |
C |
ATOM |
5786 |
O |
LYS |
A |
107 |
−5.847 |
−10.426 |
38.284 |
1.00 |
49.63 |
A |
O |
ATOM |
5787 |
N |
LYS |
A |
108 |
−5.025 |
−10.179 |
36.204 |
1.00 |
49.39 |
A |
N |
ATOM |
5788 |
CA |
LYS |
A |
108 |
−3.662 |
−10.534 |
36.584 |
1.00 |
50.95 |
A |
C |
ATOM |
5789 |
CB |
LYS |
A |
108 |
−2.780 |
−10.649 |
35.338 |
1.00 |
50.92 |
A |
C |
ATOM |
5790 |
CG |
LYS |
A |
108 |
−3.244 |
−11.706 |
34.349 |
1.00 |
51.30 |
A |
C |
ATOM |
5791 |
CD |
LYS |
A |
108 |
−2.370 |
−11.744 |
33.100 |
1.00 |
51.21 |
A |
C |
ATOM |
5792 |
CE |
LYS |
A |
108 |
−2.474 |
−10.450 |
32.306 |
1.00 |
51.88 |
A |
C |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
−1.733 |
−10.517 |
31.015 |
1.00 |
51.47 |
A |
N |
ATOM |
5794 |
C |
LYS |
A |
108 |
−3.115 |
−9.452 |
37.514 |
1.00 |
51.93 |
A |
C |
ATOM |
5795 |
O |
LYS |
A |
108 |
−2.605 |
−8.428 |
37.057 |
1.00 |
52.21 |
A |
O |
ATOM |
5796 |
N |
GLN |
A |
109 |
−3.228 |
−9.687 |
38.818 |
1.00 |
53.19 |
A |
N |
ATOM |
5797 |
CA |
GLN |
A |
109 |
−2.770 |
−8.734 |
39.827 |
1.00 |
54.34 |
A |
C |
ATOM |
5798 |
CB |
GLN |
A |
109 |
−3.029 |
−9.293 |
41.229 |
1.00 |
55.53 |
A |
C |
ATOM |
5799 |
CG |
GLN |
A |
109 |
−2.808 |
−8.292 |
42.359 |
1.00 |
57.97 |
A |
C |
ATOM |
5800 |
CD |
GLN |
A |
109 |
−3.896 |
−7.230 |
42.433 |
1.00 |
59.38 |
A |
C |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
−3.833 |
−6.318 |
43.260 |
1.00 |
60.01 |
A |
O |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
−4.903 |
−7.349 |
41.572 |
1.00 |
59.24 |
A |
N |
ATOM |
5803 |
C |
GLN |
A |
109 |
−1.291 |
−8.372 |
39.689 |
1.00 |
53.97 |
A |
C |
ATOM |
5804 |
O |
GLN |
A |
109 |
−0.900 |
−7.231 |
39.939 |
1.00 |
54.03 |
A |
O |
ATOM |
5805 |
N |
ASP |
A |
110 |
−0.473 |
−9.344 |
39.296 |
1.00 |
53.79 |
A |
N |
ATOM |
5806 |
CA |
ASP |
A |
110 |
0.961 |
−9.120 |
39.136 |
1.00 |
53.28 |
A |
C |
ATOM |
5807 |
CB |
ASP |
A |
110 |
1.687 |
−10.460 |
38.967 |
1.00 |
54.50 |
A |
C |
ATOM |
5808 |
CG |
ASP |
A |
110 |
1.180 |
−11.256 |
37.777 |
1.00 |
56.41 |
A |
C |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
−0.040 |
−11.516 |
37.708 |
1.00 |
57.39 |
A |
O |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
2.005 |
−11.626 |
36.913 |
1.00 |
57.49 |
A |
O |
ATOM |
5811 |
C |
ASP |
A |
110 |
1.276 |
−8.203 |
37.956 |
1.00 |
52.12 |
A |
C |
ATOM |
5812 |
O |
ASP |
A |
110 |
2.309 |
−7.532 |
37.939 |
1.00 |
52.35 |
A |
O |
ATOM |
5813 |
N |
VAL |
A |
111 |
0.381 |
−8.173 |
36.975 |
1.00 |
50.53 |
A |
N |
ATOM |
5814 |
CA |
VAL |
A |
111 |
0.565 |
−7.340 |
35.792 |
1.00 |
48.09 |
A |
C |
ATOM |
5815 |
CB |
VAL |
A |
111 |
−0.020 |
−8.032 |
34.541 |
1.00 |
47.90 |
A |
C |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
0.175 |
−7.153 |
33.313 |
1.00 |
47.07 |
A |
C |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
0.649 |
−9.382 |
34.343 |
1.00 |
46.18 |
A |
C |
ATOM |
5818 |
C |
VAL |
A |
111 |
−0.106 |
−5.980 |
35.973 |
1.00 |
47.23 |
A |
C |
ATOM |
5819 |
O |
VAL |
A |
111 |
0.392 |
−4.959 |
35.497 |
1.00 |
46.02 |
A |
O |
ATOM |
5820 |
N |
LYS |
A |
112 |
−1.237 |
−5.974 |
36.670 |
1.00 |
46.23 |
A |
N |
ATOM |
5821 |
CA |
LYS |
A |
112 |
−1.981 |
−4.746 |
36.918 |
1.00 |
45.70 |
A |
C |
ATOM |
5822 |
CB |
LYS |
A |
112 |
−3.328 |
−5.076 |
37.563 |
1.00 |
45.91 |
A |
C |
ATOM |
5823 |
CG |
LYS |
A |
112 |
−4.205 |
−3.866 |
37.828 |
1.00 |
47.00 |
A |
C |
ATOM |
5824 |
CD |
LYS |
A |
112 |
−5.587 |
−4.288 |
38.294 |
1.00 |
46.65 |
A |
C |
ATOM |
5825 |
CE |
LYS |
A |
112 |
−6.505 |
−3.093 |
38.472 |
1.00 |
47.06 |
A |
C |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
−7.882 |
−3.530 |
38.822 |
1.00 |
47.01 |
A |
N |
ATOM |
5827 |
C |
LYS |
A |
112 |
−1.197 |
−3.793 |
37.815 |
1.00 |
45.36 |
A |
C |
ATOM |
5828 |
O |
LYS |
A |
112 |
−1.044 |
−2.611 |
37.499 |
1.00 |
43.76 |
A |
O |
ATOM |
5829 |
N |
GLU |
A |
113 |
−0.700 |
−4.316 |
38.931 |
1.00 |
45.30 |
A |
N |
ATOM |
5830 |
CA |
GLU |
A |
113 |
0.065 |
−3.520 |
39.885 |
1.00 |
45.81 |
A |
C |
ATOM |
5831 |
CB |
GLU |
A |
113 |
0.434 |
−4.377 |
41.100 |
1.00 |
46.58 |
A |
C |
ATOM |
5832 |
CG |
GLU |
A |
113 |
0.985 |
−3.602 |
42.292 |
1.00 |
46.95 |
A |
C |
ATOM |
5833 |
CD |
GLU |
A |
113 |
−0.079 |
−2.797 |
43.024 |
1.00 |
47.25 |
A |
C |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
0.232 |
−2.252 |
44.104 |
1.00 |
47.79 |
A |
O |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
−1.222 |
−2.708 |
42.526 |
1.00 |
46.47 |
A |
O |
ATOM |
5836 |
C |
GLU |
A |
113 |
1.335 |
−2.963 |
39.244 |
1.00 |
45.70 |
A |
C |
ATOM |
5837 |
O |
GLU |
A |
113 |
1.734 |
−1.832 |
39.520 |
1.00 |
45.29 |
A |
O |
ATOM |
5838 |
N |
GLN |
A |
114 |
1.961 |
−3.764 |
38.386 |
1.00 |
45.03 |
A |
N |
ATOM |
5839 |
CA |
GLN |
A |
114 |
3.188 |
−3.364 |
37.703 |
1.00 |
44.59 |
A |
C |
ATOM |
5840 |
CB |
GLN |
A |
114 |
3.757 |
−4.554 |
36.919 |
1.00 |
46.95 |
A |
C |
ATOM |
5841 |
CG |
GLN |
A |
114 |
5.090 |
−4.301 |
36.224 |
1.00 |
49.65 |
A |
C |
ATOM |
5842 |
CD |
GLN |
A |
114 |
4.949 |
−3.515 |
34.933 |
1.00 |
51.80 |
A |
C |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
4.223 |
−3.920 |
34.024 |
1.00 |
54.22 |
A |
O |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
5.650 |
−2.389 |
34.842 |
1.00 |
52.38 |
A |
N |
ATOM |
5845 |
C |
GLN |
A |
114 |
2.956 |
−2.179 |
36.767 |
1.00 |
43.31 |
A |
C |
ATOM |
5846 |
O |
GLN |
A |
114 |
3.720 |
−1.214 |
36.778 |
1.00 |
43.59 |
A |
O |
ATOM |
5847 |
N |
MET |
A |
115 |
1.902 |
−2.252 |
35.960 |
1.00 |
40.98 |
A |
N |
ATOM |
5848 |
CA |
MET |
A |
115 |
1.586 |
−1.175 |
35.026 |
1.00 |
38.92 |
A |
C |
ATOM |
5849 |
CB |
MET |
A |
115 |
0.543 |
−1.646 |
34.006 |
1.00 |
40.82 |
A |
C |
ATOM |
5850 |
CG |
MET |
A |
115 |
0.066 |
−0.553 |
33.052 |
1.00 |
43.23 |
A |
C |
ATOM |
5851 |
SD |
MET |
A |
115 |
1.400 |
0.229 |
32.107 |
1.00 |
46.86 |
A |
S |
ATOM |
5852 |
CE |
MET |
A |
115 |
0.903 |
−0.150 |
30.414 |
1.00 |
46.99 |
A |
C |
ATOM |
5853 |
C |
MET |
A |
115 |
1.080 |
0.073 |
35.750 |
1.00 |
36.12 |
A |
C |
ATOM |
5854 |
O |
MET |
A |
115 |
1.414 |
1.195 |
35.366 |
1.00 |
34.59 |
A |
O |
ATOM |
5855 |
N |
PHE |
A |
116 |
0.277 |
−0.124 |
36.793 |
1.00 |
33.79 |
A |
N |
ATOM |
5856 |
CA |
PHE |
A |
116 |
−0.260 |
0.997 |
37.563 |
1.00 |
31.55 |
A |
C |
ATOM |
5857 |
CB |
PHE |
A |
116 |
−1.101 |
0.496 |
38.740 |
1.00 |
29.74 |
A |
C |
ATOM |
5858 |
CG |
PHE |
A |
116 |
−2.580 |
0.648 |
38.544 |
1.00 |
26.92 |
A |
C |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
−3.277 |
−0.205 |
37.697 |
1.00 |
26.13 |
A |
C |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
−3.280 |
1.647 |
39.214 |
1.00 |
25.49 |
A |
C |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
−4.652 |
−0.069 |
37.520 |
1.00 |
25.62 |
A |
C |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
−4.655 |
1.795 |
39.045 |
1.00 |
24.62 |
A |
C |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
−5.343 |
0.935 |
38.196 |
1.00 |
25.52 |
A |
C |
ATOM |
5864 |
C |
PHE |
A |
116 |
0.852 |
1.885 |
38.108 |
1.00 |
31.56 |
A |
C |
ATOM |
5865 |
O |
PHE |
A |
116 |
0.850 |
3.100 |
37.905 |
1.00 |
29.53 |
A |
O |
ATOM |
6152 |
N |
TYR |
A |
152 |
−13.728 |
17.655 |
33.722 |
1.00 |
8.61 |
A |
N |
ATOM |
6153 |
CA |
TYR |
A |
152 |
−13.021 |
16.402 |
33.504 |
1.00 |
9.79 |
A |
C |
ATOM |
6154 |
CB |
TYR |
A |
152 |
−12.841 |
16.120 |
32.003 |
1.00 |
7.44 |
A |
C |
ATOM |
6155 |
CG |
TYR |
A |
152 |
−12.799 |
14.634 |
31.704 |
1.00 |
8.27 |
A |
C |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
−13.773 |
13.778 |
32.225 |
1.00 |
8.38 |
A |
C |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
−13.742 |
12.403 |
31.973 |
1.00 |
10.32 |
A |
C |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
−11.791 |
14.080 |
30.919 |
1.00 |
5.95 |
A |
C |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
−11.751 |
12.704 |
30.659 |
1.00 |
8.41 |
A |
C |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
−12.729 |
11.873 |
31.191 |
1.00 |
8.47 |
A |
C |
ATOM |
6161 |
OH |
TYR |
A |
152 |
−12.695 |
10.517 |
30.951 |
1.00 |
9.30 |
A |
O |
ATOM |
6162 |
C |
TYR |
A |
152 |
−11.671 |
16.387 |
34.209 |
1.00 |
10.81 |
A |
C |
ATOM |
6163 |
O |
TYR |
A |
152 |
−11.237 |
15.344 |
34.695 |
1.00 |
13.37 |
A |
O |
ATOM |
6164 |
N |
TRP |
A |
153 |
−11.002 |
17.536 |
34.274 |
1.00 |
11.77 |
A |
N |
ATOM |
6165 |
CA |
TRP |
A |
153 |
−9.715 |
17.589 |
34.964 |
1.00 |
12.66 |
A |
C |
ATOM |
6166 |
CB |
TRP |
A |
153 |
−9.082 |
18.981 |
34.855 |
1.00 |
13.54 |
A |
C |
ATOM |
6167 |
CG |
TRP |
A |
153 |
−8.073 |
19.251 |
35.950 |
1.00 |
13.64 |
A |
C |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
−6.880 |
18.503 |
36.230 |
1.00 |
12.79 |
A |
C |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
−6.280 |
19.084 |
37.372 |
1.00 |
13.87 |
A |
C |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
−6.260 |
17.400 |
35.629 |
1.00 |
14.97 |
A |
C |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
−8.143 |
20.228 |
36.906 |
1.00 |
14.04 |
A |
C |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
−7.071 |
20.132 |
37.763 |
1.00 |
14.10 |
A |
N |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
−5.088 |
18.596 |
37.927 |
1.00 |
12.50 |
A |
C |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
−5.072 |
16.914 |
36.183 |
1.00 |
14.36 |
A |
C |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
−4.502 |
17.516 |
37.321 |
1.00 |
14.19 |
A |
C |
ATOM |
6176 |
C |
TRP |
A |
153 |
−9.878 |
17.232 |
36.441 |
1.00 |
11.85 |
A |
C |
ATOM |
6177 |
O |
TRP |
A |
153 |
−9.107 |
16.434 |
36.981 |
1.00 |
12.51 |
A |
O |
ATOM |
6178 |
N |
GLU |
A |
154 |
−10.883 |
17.817 |
37.089 |
1.00 |
11.73 |
A |
N |
ATOM |
6179 |
CA |
GLU |
A |
154 |
−11.134 |
17.564 |
38.512 |
1.00 |
10.94 |
A |
C |
ATOM |
6180 |
CB |
GLU |
A |
154 |
−12.231 |
18.510 |
39.027 |
1.00 |
11.59 |
A |
C |
ATOM |
6181 |
CG |
GLU |
A |
154 |
−12.404 |
18.521 |
40.546 |
1.00 |
11.01 |
A |
C |
ATOM |
6182 |
CD |
GLU |
A |
154 |
−13.332 |
17.431 |
41.059 |
1.00 |
16.21 |
A |
C |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
−13.328 |
17.170 |
42.284 |
1.00 |
14.24 |
A |
O |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
−14.078 |
16.842 |
40.248 |
1.00 |
16.08 |
A |
O |
ATOM |
6185 |
C |
GLU |
A |
154 |
−11.536 |
16.108 |
38.739 |
1.00 |
11.33 |
A |
C |
ATOM |
6186 |
O |
GLU |
A |
154 |
−11.134 |
15.477 |
39.725 |
1.00 |
11.71 |
A |
O |
ATOM |
6187 |
N |
ILE |
A |
155 |
−12.327 |
15.580 |
37.815 |
1.00 |
10.60 |
A |
N |
ATOM |
6188 |
CA |
ILE |
A |
155 |
−12.790 |
14.200 |
37.880 |
1.00 |
10.68 |
A |
C |
ATOM |
6189 |
CB |
ILE |
A |
155 |
−13.847 |
13.951 |
36.774 |
1.00 |
10.77 |
A |
C |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
−14.071 |
12.459 |
36.564 |
1.00 |
11.39 |
A |
C |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
−15.148 |
14.671 |
37.154 |
1.00 |
12.20 |
A |
C |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
−16.192 |
14.711 |
36.048 |
1.00 |
9.68 |
A |
C |
ATOM |
6193 |
C |
ILE |
A |
155 |
−11.630 |
13.210 |
37.750 |
1.00 |
11.46 |
A |
C |
ATOM |
6194 |
O |
ILE |
A |
155 |
−11.493 |
12.292 |
38.567 |
1.00 |
12.61 |
A |
O |
ATOM |
6195 |
N |
CYS |
A |
156 |
−10.789 |
13.402 |
36.735 |
1.00 |
10.83 |
A |
N |
ATOM |
6196 |
CA |
CYS |
A |
156 |
−9.642 |
12.524 |
36.514 |
1.00 |
10.78 |
A |
C |
ATOM |
6197 |
CB |
CYS |
A |
156 |
−8.964 |
12.856 |
35.179 |
1.00 |
12.57 |
A |
C |
ATOM |
6198 |
SG |
CYS |
A |
156 |
−9.924 |
12.424 |
33.698 |
1.00 |
11.44 |
A |
S |
ATOM |
6199 |
C |
CYS |
A |
156 |
−8.610 |
12.617 |
37.642 |
1.00 |
11.39 |
A |
C |
ATOM |
6200 |
O |
CYS |
A |
156 |
−8.078 |
11.600 |
38.090 |
1.00 |
10.94 |
A |
O |
ATOM |
6201 |
N |
SER |
A |
157 |
−8.327 |
13.836 |
38.096 |
1.00 |
10.71 |
A |
N |
ATOM |
6202 |
CA |
SER |
A |
157 |
−7.348 |
14.035 |
39.160 |
1.00 |
11.64 |
A |
C |
ATOM |
6203 |
CB |
SER |
A |
157 |
−7.005 |
15.526 |
39.312 |
1.00 |
8.14 |
A |
C |
ATOM |
6204 |
OG |
SER |
A |
157 |
−8.149 |
16.309 |
39.581 |
1.00 |
8.71 |
A |
O |
ATOM |
6205 |
C |
SER |
A |
157 |
−7.815 |
13.463 |
40.493 |
1.00 |
11.79 |
A |
C |
ATOM |
6206 |
O |
SER |
A |
157 |
−7.000 |
12.976 |
41.280 |
1.00 |
12.03 |
A |
O |
ATOM |
6207 |
N |
THR |
A |
158 |
−9.119 |
13.521 |
40.750 |
1.00 |
10.51 |
A |
N |
ATOM |
6208 |
CA |
THR |
A |
158 |
−9.650 |
12.979 |
41.996 |
1.00 |
12.25 |
A |
C |
ATOM |
6209 |
CB |
THR |
A |
158 |
−11.188 |
13.142 |
42.086 |
1.00 |
12.13 |
A |
C |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
−11.512 |
14.507 |
42.379 |
1.00 |
11.92 |
A |
O |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
−11.758 |
12.251 |
43.180 |
1.00 |
12.89 |
A |
C |
ATOM |
6212 |
C |
THR |
A |
158 |
−9.303 |
11.497 |
42.089 |
1.00 |
12.30 |
A |
C |
ATOM |
6213 |
O |
THR |
A |
158 |
−8.873 |
11.015 |
43.135 |
1.00 |
13.28 |
A |
O |
ATOM |
6214 |
N |
THR |
A |
159 |
−9.484 |
10.778 |
40.986 |
1.00 |
11.79 |
A |
N |
ATOM |
6215 |
CA |
THR |
A |
159 |
−9.189 |
9.352 |
40.949 |
1.00 |
12.60 |
A |
C |
ATOM |
6216 |
CB |
THR |
A |
159 |
−9.777 |
8.713 |
39.671 |
1.00 |
12.94 |
A |
C |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
−11.207 |
8.818 |
39.711 |
1.00 |
13.88 |
A |
O |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
−9.383 |
7.243 |
39.570 |
1.00 |
13.31 |
A |
C |
ATOM |
6219 |
C |
THR |
A |
159 |
−7.683 |
9.073 |
41.028 |
1.00 |
12.97 |
A |
C |
ATOM |
6220 |
O |
THR |
A |
159 |
−7.242 |
8.210 |
41.792 |
1.00 |
13.33 |
A |
O |
ATOM |
6221 |
N |
LEU |
A |
160 |
−6.891 |
9.801 |
40.247 |
1.00 |
11.91 |
A |
N |
ATOM |
6222 |
CA |
LEU |
A |
160 |
−5.449 |
9.602 |
40.272 |
1.00 |
11.99 |
A |
C |
ATOM |
6223 |
CB |
LEU |
A |
160 |
−4.767 |
10.506 |
39.243 |
1.00 |
11.62 |
A |
C |
ATOM |
6224 |
CG |
LEU |
A |
160 |
−5.052 |
10.201 |
37.764 |
1.00 |
10.47 |
A |
C |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
−4.377 |
11.244 |
36.896 |
1.00 |
11.07 |
A |
C |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
−4.547 |
8.806 |
37.399 |
1.00 |
9.49 |
A |
C |
ATOM |
6227 |
C |
LEU |
A |
160 |
−4.869 |
9.862 |
41.667 |
1.00 |
13.79 |
A |
C |
ATOM |
6228 |
O |
LEU |
A |
160 |
−3.954 |
9.157 |
42.101 |
1.00 |
12.53 |
A |
O |
ATOM |
6229 |
N |
LEU |
A |
161 |
−5.408 |
10.863 |
42.364 |
1.00 |
13.03 |
A |
N |
ATOM |
6230 |
CA |
LEU |
A |
161 |
−4.938 |
11.210 |
43.703 |
1.00 |
13.25 |
A |
C |
ATOM |
6231 |
CB |
LEU |
A |
161 |
−5.638 |
12.476 |
44.209 |
1.00 |
13.43 |
A |
C |
ATOM |
6232 |
CG |
LEU |
A |
161 |
−5.137 |
13.820 |
43.672 |
1.00 |
14.45 |
A |
C |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
−6.127 |
14.924 |
44.045 |
1.00 |
11.48 |
A |
C |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
−3.751 |
14.118 |
44.237 |
1.00 |
13.53 |
A |
C |
ATOM |
6235 |
C |
LEU |
A |
161 |
−5.145 |
10.080 |
44.704 |
1.00 |
15.09 |
A |
C |
ATOM |
6236 |
O |
LEU |
A |
161 |
−4.415 |
9.979 |
45.691 |
1.00 |
16.09 |
A |
O |
ATOM |
6237 |
N |
VAL |
A |
162 |
−6.143 |
9.238 |
44.459 |
1.00 |
14.39 |
A |
N |
ATOM |
6238 |
CA |
VAL |
A |
162 |
−6.411 |
8.116 |
45.344 |
1.00 |
14.43 |
A |
C |
ATOM |
6239 |
CB |
VAL |
A |
162 |
−7.700 |
7.366 |
44.938 |
1.00 |
15.83 |
A |
C |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
−7.769 |
6.019 |
45.655 |
1.00 |
11.08 |
A |
C |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
−8.925 |
8.207 |
45.287 |
1.00 |
14.62 |
A |
C |
ATOM |
6242 |
C |
VAL |
A |
162 |
−5.242 |
7.140 |
45.304 |
1.00 |
15.52 |
A |
C |
ATOM |
6243 |
O |
VAL |
A |
162 |
−4.861 |
6.579 |
46.329 |
1.00 |
16.41 |
A |
O |
ATOM |
6244 |
N |
PHE |
A |
163 |
−4.667 |
6.951 |
44.119 |
1.00 |
14.68 |
A |
N |
ATOM |
6245 |
CA |
PHE |
A |
163 |
−3.543 |
6.036 |
43.955 |
1.00 |
15.48 |
A |
C |
ATOM |
6246 |
CB |
PHE |
A |
163 |
−3.660 |
5.286 |
42.624 |
1.00 |
16.17 |
A |
C |
ATOM |
6247 |
CG |
PHE |
A |
163 |
−4.915 |
4.476 |
42.498 |
1.00 |
17.77 |
A |
C |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
−6.066 |
5.026 |
41.934 |
1.00 |
18.11 |
A |
C |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
−4.962 |
3.172 |
42.978 |
1.00 |
17.18 |
A |
C |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
−7.243 |
4.284 |
41.852 |
1.00 |
18.08 |
A |
C |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
−6.134 |
2.422 |
42.901 |
1.00 |
17.00 |
A |
C |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
−7.277 |
2.981 |
42.338 |
1.00 |
18.37 |
A |
C |
ATOM |
6253 |
C |
PHE |
A |
163 |
−2.179 |
6.714 |
44.041 |
1.00 |
15.57 |
A |
C |
ATOM |
6254 |
O |
PHE |
A |
163 |
−1.164 |
6.044 |
44.214 |
1.00 |
16.24 |
A |
O |
ATOM |
6528 |
N |
THR |
A |
197 |
−17.099 |
5.832 |
46.606 |
1.00 |
22.13 |
A |
N |
ATOM |
6529 |
CA |
THR |
A |
197 |
−16.501 |
4.631 |
46.037 |
1.00 |
20.93 |
A |
C |
ATOM |
6530 |
CB |
THR |
A |
197 |
−17.228 |
4.228 |
44.740 |
1.00 |
20.53 |
A |
C |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
−17.165 |
5.313 |
43.801 |
1.00 |
19.47 |
A |
O |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
−18.687 |
3.904 |
45.031 |
1.00 |
19.28 |
A |
C |
ATOM |
6533 |
C |
THR |
A |
197 |
−15.022 |
4.835 |
45.726 |
1.00 |
19.70 |
A |
C |
ATOM |
6534 |
O |
THR |
A |
197 |
−14.532 |
5.964 |
45.709 |
1.00 |
19.73 |
A |
O |
ATOM |
6535 |
N |
LYS |
A |
198 |
−14.320 |
3.734 |
45.480 |
1.00 |
18.70 |
A |
N |
ATOM |
6536 |
CA |
LYS |
A |
198 |
−12.895 |
3.773 |
45.164 |
1.00 |
20.70 |
A |
C |
ATOM |
6537 |
CB |
LYS |
A |
198 |
−12.321 |
2.354 |
45.158 |
1.00 |
20.27 |
A |
C |
ATOM |
6538 |
CG |
LYS |
A |
198 |
−10.822 |
2.287 |
44.939 |
1.00 |
21.83 |
A |
C |
ATOM |
6539 |
CD |
LYS |
A |
198 |
−10.393 |
0.877 |
44.552 |
1.00 |
24.28 |
A |
C |
ATOM |
6540 |
CE |
LYS |
A |
198 |
−8.880 |
0.756 |
44.464 |
1.00 |
25.89 |
A |
C |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
−8.481 |
−0.584 |
43.937 |
1.00 |
28.24 |
A |
N |
ATOM |
6542 |
C |
LYS |
A |
198 |
−12.646 |
4.419 |
43.800 |
1.00 |
21.33 |
A |
C |
ATOM |
6543 |
O |
LYS |
A |
198 |
−11.809 |
5.317 |
43.664 |
1.00 |
20.34 |
A |
O |
ATOM |
6544 |
N |
LEU |
A |
199 |
−13.377 |
3.949 |
42.793 |
1.00 |
21.84 |
A |
N |
ATOM |
6545 |
CA |
LEU |
A |
199 |
−13.245 |
4.469 |
41.436 |
1.00 |
21.69 |
A |
C |
ATOM |
6546 |
CB |
LEU |
A |
199 |
−12.977 |
3.321 |
40.459 |
1.00 |
23.94 |
A |
C |
ATOM |
6547 |
CG |
LEU |
A |
199 |
−11.787 |
2.419 |
40.793 |
1.00 |
25.29 |
A |
C |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
−11.612 |
1.374 |
39.698 |
1.00 |
25.62 |
A |
C |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
−10.528 |
3.263 |
40.927 |
1.00 |
25.82 |
A |
C |
ATOM |
6550 |
C |
LEU |
A |
199 |
−14.497 |
5.220 |
41.004 |
1.00 |
21.61 |
A |
C |
ATOM |
6551 |
OT1 |
LEU |
A |
199 |
−15.506 |
5.171 |
41.740 |
1.00 |
20.08 |
A |
O |
ATOM |
6552 |
OT2 |
LEU |
A |
199 |
−14.454 |
5.846 |
39.923 |
1.00 |
21.69 |
A |
O |
ATOM |
6613 |
N1 |
GSH |
H |
200 |
−14.550 |
5.015 |
25.946 |
1.00 |
13.63 |
H |
N |
ATOM |
6614 |
CA1 |
GSH |
H |
200 |
−15.807 |
4.471 |
26.450 |
1.00 |
13.25 |
H |
C |
ATOM |
6615 |
C1 |
GSH |
H |
200 |
−16.630 |
5.539 |
27.221 |
1.00 |
12.75 |
H |
C |
ATOM |
6616 |
O11 |
GSH |
H |
200 |
−16.085 |
6.603 |
27.529 |
1.00 |
12.96 |
H |
O |
ATOM |
6617 |
O12 |
GSH |
H |
200 |
−17.891 |
5.250 |
27.492 |
1.00 |
15.28 |
H |
O |
ATOM |
6618 |
CB1 |
GSH |
H |
200 |
−15.460 |
3.288 |
27.375 |
1.00 |
13.02 |
H |
C |
ATOM |
6619 |
CG1 |
GSH |
H |
200 |
−16.582 |
2.234 |
27.492 |
1.00 |
13.79 |
H |
C |
ATOM |
6620 |
CD1 |
GSH |
H |
200 |
−16.071 |
1.156 |
28.480 |
1.00 |
15.77 |
H |
C |
ATOM |
6621 |
OE1 |
GSH |
H |
200 |
−15.102 |
0.436 |
28.187 |
1.00 |
15.88 |
H |
O |
ATOM |
6622 |
N2 |
GSH |
H |
200 |
−16.842 |
0.986 |
29.567 |
1.00 |
14.96 |
H |
N |
ATOM |
6623 |
CA2 |
GSH |
H |
200 |
−16.537 |
−0.058 |
30.558 |
1.00 |
16.29 |
H |
C |
ATOM |
6624 |
C2 |
GSH |
H |
200 |
−17.470 |
−1.253 |
30.341 |
1.00 |
17.28 |
H |
C |
ATOM |
6625 |
O2 |
GSH |
H |
200 |
−18.558 |
−1.130 |
29.767 |
1.00 |
15.17 |
H |
O |
ATOM |
6626 |
CB2 |
GSH |
H |
200 |
−16.864 |
0.452 |
31.977 |
1.00 |
16.12 |
H |
C |
ATOM |
6627 |
SG2 |
GSH |
H |
200 |
−15.601 |
1.558 |
32.669 |
1.00 |
16.79 |
H |
S |
ATOM |
6628 |
N3 |
GSH |
H |
200 |
−16.899 |
−2.457 |
30.507 |
1.00 |
19.59 |
H |
N |
ATOM |
6629 |
CA3 |
GSH |
H |
200 |
−17.689 |
−3.694 |
30.640 |
1.00 |
20.55 |
H |
C |
ATOM |
6630 |
C3 |
GSH |
H |
200 |
−17.281 |
−4.655 |
29.543 |
1.00 |
22.53 |
H |
C |
ATOM |
6631 |
O31 |
GSH |
H |
200 |
−17.861 |
−5.761 |
29.526 |
1.00 |
20.65 |
H |
O |
ATOM |
6632 |
O32 |
GSH |
H |
200 |
−16.398 |
−4.285 |
28.728 |
1.00 |
22.35 |
H |
O |
ATOM |
6708 |
C1 |
U44 |
X |
201 |
−13.533 |
−1.851 |
34.292 |
1.00 |
70.39 |
X |
C |
ATOM |
6709 |
C2 |
U44 |
X |
201 |
−13.257 |
−2.563 |
35.604 |
1.00 |
70.70 |
X |
C |
ATOM |
6710 |
C3 |
U44 |
X |
201 |
−12.903 |
−1.371 |
36.540 |
1.00 |
70.14 |
X |
C |
ATOM |
6711 |
C4 |
U44 |
X |
201 |
−13.965 |
−0.313 |
36.092 |
1.00 |
69.11 |
X |
C |
ATOM |
6712 |
C5 |
U44 |
X |
201 |
−14.677 |
−1.086 |
34.944 |
1.00 |
69.81 |
X |
C |
ATOM |
6713 |
C7 |
U44 |
X |
201 |
−15.544 |
−2.216 |
35.493 |
1.00 |
70.48 |
X |
C |
ATOM |
6714 |
O6 |
U44 |
X |
201 |
−14.532 |
−3.138 |
35.915 |
1.00 |
70.45 |
X |
O |
ATOM |
6715 |
C14 |
U44 |
X |
201 |
−13.413 |
1.005 |
35.576 |
1.00 |
66.59 |
X |
C |
ATOM |
6716 |
C16 |
U44 |
X |
201 |
−13.394 |
2.213 |
36.191 |
1.00 |
62.13 |
X |
C |
ATOM |
6717 |
C18 |
U44 |
X |
201 |
−12.818 |
3.501 |
35.639 |
1.00 |
58.63 |
X |
C |
ATOM |
6718 |
C20 |
U44 |
X |
201 |
−12.819 |
3.574 |
34.090 |
1.00 |
55.24 |
X |
C |
ATOM |
6719 |
C21 |
U44 |
X |
201 |
−11.964 |
4.730 |
33.525 |
1.00 |
50.86 |
X |
C |
ATOM |
6720 |
C24 |
U44 |
X |
201 |
−12.612 |
6.108 |
33.730 |
1.00 |
48.35 |
X |
C |
ATOM |
6721 |
C27 |
U44 |
X |
201 |
−11.669 |
7.268 |
33.392 |
1.00 |
45.75 |
X |
C |
ATOM |
6722 |
C30 |
U44 |
X |
201 |
−12.193 |
8.608 |
33.921 |
1.00 |
40.82 |
X |
C |
ATOM |
6723 |
O36 |
U44 |
X |
201 |
−11.498 |
3.620 |
36.106 |
1.00 |
60.26 |
X |
O |
ATOM |
6724 |
C39 |
U44 |
X |
201 |
−12.884 |
−1.741 |
38.072 |
1.00 |
70.91 |
X |
C |
ATOM |
6725 |
C41 |
U44 |
X |
201 |
−14.205 |
−1.601 |
38.816 |
1.00 |
72.25 |
X |
C |
ATOM |
6726 |
C44 |
U44 |
X |
201 |
−14.430 |
−1.700 |
40.146 |
1.00 |
73.15 |
X |
C |
ATOM |
6727 |
C46 |
U44 |
X |
201 |
−13.410 |
−1.976 |
41.224 |
1.00 |
73.77 |
X |
C |
ATOM |
6728 |
C48 |
U44 |
X |
201 |
−13.173 |
−3.470 |
41.449 |
1.00 |
74.30 |
X |
C |
ATOM |
6729 |
C51 |
U44 |
X |
201 |
−11.671 |
−3.799 |
41.522 |
1.00 |
74.31 |
X |
C |
ATOM |
6730 |
C54 |
U44 |
X |
201 |
−11.421 |
−5.228 |
42.015 |
1.00 |
74.04 |
X |
C |
ATOM |
6731 |
O57 |
U44 |
X |
201 |
−10.109 |
−5.499 |
42.071 |
1.00 |
74.59 |
X |
O |
ATOM |
6732 |
O58 |
U44 |
X |
201 |
−12.270 |
−6.010 |
42.314 |
1.00 |
73.77 |
X |
O |
ATOM |
6734 |
MG + 2 |
MG2 |
M |
902 |
−10.576 |
8.691 |
23.110 |
1.00 |
14.30 |
M |
MG + 2 |
ATOM |
6741 |
OH2 |
WAT |
S |
7 |
−12.220 |
10.128 |
23.608 |
1.00 |
19.80 |
S |
O |
ATOM |
6742 |
OH2 |
WAT |
S |
8 |
−9.999 |
7.991 |
24.913 |
1.00 |
16.06 |
S |
O |
ATOM |
6743 |
OH2 |
WAT |
S |
9 |
−9.577 |
7.058 |
22.052 |
1.00 |
9.47 |
S |
O |
ATOM |
6744 |
OH2 |
WAT |
S |
10 |
−11.304 |
9.428 |
21.145 |
1.00 |
20.89 |
S |
O |
ATOM |
6745 |
OH2 |
WAT |
S |
11 |
−8.905 |
9.998 |
22.706 |
1.00 |
6.56 |
S |
O |
ATOM |
6746 |
OH2 |
WAT |
S |
12 |
−12.342 |
7.553 |
23.132 |
1.00 |
5.11 |
S |
O |
ATOM |
6755 |
OH2 |
WAT |
S |
21 |
−16.321 |
10.562 |
33.715 |
1.00 |
12.00 |
S |
O |
ATOM |
6760 |
OH2 |
WAT |
S |
26 |
−22.235 |
0.646 |
24.380 |
1.00 |
8.59 |
S |
O |
ATOM |
6790 |
OH2 |
WAT |
S |
56 |
−19.949 |
3.890 |
26.386 |
1.00 |
14.06 |
S |
O |
ATOM |
6822 |
OH2 |
WAT |
S |
88 |
−15.088 |
1.355 |
23.422 |
1.00 |
11.11 |
S |
O |
ATOM |
6845 |
OH2 |
WAT |
S |
112 |
−14.218 |
9.379 |
37.460 |
1.00 |
10.60 |
S |
O |
ATOM |
6848 |
OH2 |
WAT |
S |
115 |
−30.009 |
4.031 |
30.556 |
1.00 |
20.47 |
S |
O |
ATOM |
6856 |
OH2 |
WAT |
S |
123 |
−21.028 |
9.378 |
41.645 |
1.00 |
13.15 |
S |
O |
ATOM |
6857 |
OH2 |
WAT |
S |
124 |
−17.894 |
1.227 |
22.644 |
1.00 |
11.10 |
S |
O |
ATOM |
6869 |
OH2 |
WAT |
S |
136 |
−13.700 |
11.068 |
39.668 |
1.00 |
12.06 |
S |
O |
ATOM |
6873 |
OH2 |
WAT |
S |
140 |
−16.131 |
8.790 |
24.586 |
1.00 |
10.01 |
S |
O |
ATOM |
6881 |
OH2 |
WAT |
S |
148 |
−14.575 |
−2.288 |
28.277 |
1.00 |
24.82 |
S |
O |
ATOM |
6908 |
OH2 |
WAT |
S |
177 |
−20.137 |
2.340 |
24.117 |
1.00 |
8.16 |
S |
O |
ATOM |
6925 |
OH2 |
WAT |
S |
195 |
−14.246 |
−0.057 |
25.568 |
1.00 |
26.38 |
S |
O |
ATOM |
6936 |
OH2 |
WAT |
S |
206 |
−14.383 |
−0.255 |
21.039 |
1.00 |
21.10 |
S |
O |
ATOM |
7014 |
OH2 |
WAT |
S |
294 |
−25.323 |
5.733 |
36.748 |
1.00 |
14.27 |
S |
O |
ATOM |
7015 |
OH2 |
WAT |
S |
295 |
−5.015 |
5.528 |
25.654 |
1.00 |
25.26 |
S |
O |
ATOM |
7026 |
OH2 |
WAT |
S |
306 |
−12.125 |
−1.788 |
22.440 |
1.00 |
16.05 |
S |
O |
ATOM |
7091 |
OH2 |
WAT |
S |
374 |
−19.550 |
6.899 |
43.308 |
1.00 |
15.60 |
S |
O |
ATOM |
7153 |
OH2 |
WAT |
S |
445 |
−10.080 |
−6.158 |
38.144 |
1.00 |
40.05 |
S |
O |
ATOM |
7166 |
OH2 |
WAT |
S |
461 |
−11.181 |
−0.389 |
24.993 |
1.00 |
32.17 |
S |
O |
ATOM |
7189 |
OH2 |
WAT |
S |
489 |
−11.757 |
5.269 |
27.058 |
1.00 |
17.40 |
S |
O |
ATOM |
7201 |
OH2 |
WAT |
S |
504 |
−21.955 |
−1.663 |
40.073 |
1.00 |
22.05 |
S |
O |
ATOM |
7212 |
OH2 |
WAT |
S |
521 |
−17.307 |
−1.765 |
21.966 |
1.00 |
22.00 |
S |
O |
ATOM |
7233 |
OH2 |
WAT |
S |
545 |
−7.572 |
−3.899 |
31.498 |
1.00 |
31.88 |
S |
O |
ATOM |
7238 |
OH2 |
WAT |
S |
550 |
−16.631 |
−4.218 |
44.114 |
1.00 |
28.79 |
S |
O |
ATOM |
7255 |
OH2 |
WAT |
S |
571 |
−16.386 |
−5.314 |
21.770 |
1.00 |
19.46 |
S |
O |
ATOM |
7274 |
OH2 |
WAT |
S |
595 |
−17.930 |
−3.842 |
20.217 |
1.00 |
18.12 |
S |
O |
ATOM |
7276 |
OH2 |
WAT |
S |
597 |
−13.769 |
7.885 |
25.487 |
1.00 |
10.50 |
S |
O |
ATOM |
7288 |
OH2 |
WAT |
S |
616 |
−12.729 |
7.435 |
38.117 |
1.00 |
23.58 |
S |
O |
ATOM |
7322 |
OH2 |
WAT |
S |
668 |
−8.910 |
2.771 |
24.376 |
1.00 |
47.74 |
S |
O |
ATOM |
7353 |
OH2 |
WAT |
S |
728 |
−24.717 |
0.462 |
23.216 |
1.00 |
26.35 |
S |
O |
ATOM |
7375 |
OH2 |
WAT |
S |
764 |
−15.374 |
9.583 |
31.111 |
1.00 |
11.02 |
S |
O |
ATOM |
7389 |
OH2 |
WAT |
S |
820 |
−9.060 |
−6.376 |
26.123 |
1.00 |
42.71 |
S |
O |
ATOM |
7396 |
OH2 |
WAT |
S |
831 |
−23.318 |
−6.716 |
23.568 |
1.00 |
37.58 |
S |
O |
ATOM |
7426 |
OH2 |
WAT |
S |
901 |
−21.607 |
−1.120 |
45.347 |
1.00 |
32.16 |
S |
O |
ATOM |
7495 |
H2 |
WAT |
S |
1295 |
−10.054 |
5.104 |
25.040 |
1.00 |
30.17 |
S |
O |
ATOM |
7535 |
OH2 |
WAT |
S |
1341 |
−11.308 |
−8.312 |
40.840 |
1.00 |
33.98 |
S |
O |
ATOM |
7536 |
OH2 |
WAT |
S |
1342 |
−18.306 |
−0.785 |
45.664 |
1.00 |
23.47 |
S |
O |
ATOM |
7548 |
OH2 |
WAT |
S |
1355 |
−11.195 |
6.225 |
36.412 |
1.00 |
22.59 |
S |
O |
ATOM |
7552 |
OH2 |
WAT |
S |
1361 |
−19.290 |
−9.723 |
41.426 |
1.00 |
33.42 |
S |
O |
ATOM |
7553 |
OH2 |
WAT |
S |
1362 |
−20.599 |
−6.591 |
22.350 |
1.00 |
29.05 |
S |
O |
ATOM |
7559 |
OH2 |
WAT |
S |
1368 |
−9.450 |
1.544 |
29.448 |
1.00 |
32.22 |
S |
O |
ATOM |
7560 |
OH2 |
WAT |
S |
1369 |
−6.410 |
−0.567 |
29.306 |
1.00 |
38.08 |
S |
O |
ATOM |
7566 |
OH2 |
WAT |
S |
1376 |
−14.934 |
13.298 |
41.070 |
1.00 |
13.87 |
S |
O |
ATOM |
7569 |
OH2 |
WAT |
S |
1380 |
−17.170 |
8.649 |
45.004 |
1.00 |
13.87 |
S |
O |
ATOM |
7585 |
OH2 |
WAT |
S |
1398 |
−13.501 |
6.967 |
29.029 |
1.00 |
12.91 |
S |
O |
ATOM |
7586 |
OH2 |
WAT |
S |
1399 |
−11.476 |
−0.026 |
31.088 |
1.00 |
30.86 |
S |
O |
ATOM |
7591 |
OH2 |
WAT |
S |
1407 |
−15.761 |
−4.514 |
39.356 |
1.00 |
51.81 |
S |
O |
ATOM |
7592 |
OH2 |
WAT |
S |
1408 |
−15.589 |
−5.579 |
35.465 |
1.00 |
42.90 |
S |
O |
ATOM |
7593 |
OH2 |
WAT |
S |
1409 |
−7.748 |
−3.886 |
41.337 |
1.00 |
28.05 |
S |
O |
ATOM |
7681 |
OH2 |
WAT |
S |
1560 |
−14.609 |
1.320 |
43.058 |
1.00 |
31.74 |
S |
O |
ATOM |
7688 |
OH2 |
WAT |
S |
1571 |
−18.720 |
−5.226 |
24.140 |
1.00 |
37.27 |
S |
O |
ATOM |
7724 |
OH2 |
WAT |
S |
1614 |
−7.499 |
6.183 |
23.535 |
1.00 |
42.36 |
S |
O |
ATOM |
7745 |
OH2 |
WAT |
S |
1636 |
−9.600 |
−1.548 |
39.202 |
1.00 |
43.85 |
S |
O |
|
-
TABLE 7 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with calcium, |
glutathione and Cibacron Blue |
|
|
ATOM |
1690 |
N |
TYR |
A |
8 |
−2.882 |
−27.583 |
10.962 |
1.00 |
8.07 |
A |
ATOM |
1691 |
CA |
TYR |
A |
8 |
−2.803 |
−26.193 |
11.399 |
1.00 |
8.37 |
A |
ATOM |
1692 |
CB |
TYR |
A |
8 |
−1.457 |
−25.586 |
10.986 |
1.00 |
8.12 |
A |
ATOM |
1693 |
CG |
TYR |
A |
8 |
−1.151 |
−24.248 |
11.627 |
1.00 |
8.19 |
A |
ATOM |
1694 |
CD1 |
TYR |
A |
8 |
−1.019 |
−24.131 |
13.013 |
1.00 |
7.49 |
A |
ATOM |
1695 |
CE1 |
TYR |
A |
8 |
−0.726 |
−22.906 |
13.605 |
1.00 |
7.97 |
A |
ATOM |
1696 |
CD2 |
TYR |
A |
8 |
−0.983 |
−23.099 |
10.850 |
1.00 |
8.28 |
A |
ATOM |
1697 |
CE2 |
TYR |
A |
8 |
−0.688 |
−21.869 |
11.438 |
1.00 |
7.81 |
A |
ATOM |
1698 |
CZ |
TYR |
A |
8 |
−0.562 |
−21.783 |
12.811 |
1.00 |
8.21 |
A |
ATOM |
1699 |
OH |
TYR |
A |
8 |
−0.268 |
−20.575 |
13.381 |
1.00 |
8.12 |
A |
ATOM |
1700 |
C |
TYR |
A |
8 |
−3.932 |
−25.418 |
10.728 |
1.00 |
8.79 |
A |
ATOM |
1701 |
O |
TYR |
A |
8 |
−4.689 |
−25.979 |
9.943 |
1.00 |
8.57 |
A |
ATOM |
1702 |
N |
PHE |
A |
9 |
−4.047 |
−24.134 |
11.051 |
1.00 |
9.51 |
A |
ATOM |
1703 |
CA |
PHE |
A |
9 |
−5.069 |
−23.291 |
10.446 |
1.00 |
10.44 |
A |
ATOM |
1704 |
CB |
PHE |
A |
9 |
−5.179 |
−21.963 |
11.191 |
1.00 |
10.48 |
A |
ATOM |
1705 |
CG |
PHE |
A |
9 |
−5.739 |
−22.092 |
12.572 |
1.00 |
11.15 |
A |
ATOM |
1706 |
CD1 |
PHE |
A |
9 |
−5.022 |
−21.633 |
13.672 |
1.00 |
11.38 |
A |
ATOM |
1707 |
CD2 |
PHE |
A |
9 |
−6.976 |
−22.684 |
12.776 |
1.00 |
10.92 |
A |
ATOM |
1708 |
CE1 |
PHE |
A |
9 |
−5.539 |
−21.768 |
14.960 |
1.00 |
11.88 |
A |
ATOM |
1709 |
CE2 |
PHE |
A |
9 |
−7.497 |
−22.823 |
14.052 |
1.00 |
11.75 |
A |
ATOM |
1710 |
CZ |
PHE |
A |
9 |
−6.778 |
−22.364 |
15.148 |
1.00 |
11.23 |
A |
ATOM |
1711 |
C |
PHE |
A |
9 |
−4.654 |
−23.010 |
9.011 |
1.00 |
11.01 |
A |
ATOM |
1712 |
O |
PHE |
A |
9 |
−3.567 |
−23.405 |
8.584 |
1.00 |
10.55 |
A |
ATOM |
1713 |
N |
ASN |
A |
10 |
−5.518 |
−22.325 |
8.269 |
1.00 |
11.11 |
A |
ATOM |
1714 |
CA |
ASN |
A |
10 |
−5.204 |
−21.977 |
6.887 |
1.00 |
11.58 |
A |
ATOM |
1715 |
CB |
ASN |
A |
10 |
−6.481 |
−21.836 |
6.048 |
1.00 |
11.02 |
A |
ATOM |
1716 |
CG |
ASN |
A |
10 |
−6.192 |
−21.414 |
4.615 |
1.00 |
12.05 |
A |
ATOM |
1717 |
OD1 |
ASN |
A |
10 |
−5.142 |
−21.747 |
4.049 |
1.00 |
11.74 |
A |
ATOM |
1718 |
ND2 |
ASN |
A |
10 |
−7.130 |
−20.690 |
4.012 |
1.00 |
12.36 |
A |
ATOM |
1719 |
C |
ASN |
A |
10 |
−4.439 |
−20.655 |
6.889 |
1.00 |
11.87 |
A |
ATOM |
1720 |
O |
ASN |
A |
10 |
−4.998 |
−19.591 |
6.618 |
1.00 |
11.89 |
A |
ATOM |
1721 |
N |
MET |
A |
11 |
−3.163 |
−20.732 |
7.252 |
1.00 |
12.14 |
A |
ATOM |
1722 |
CA |
MET |
A |
11 |
−2.281 |
−19.570 |
7.276 |
1.00 |
12.22 |
A |
ATOM |
1723 |
CB |
MET |
A |
11 |
−2.681 |
−18.571 |
8.391 |
1.00 |
13.94 |
A |
ATOM |
1724 |
CG |
MET |
A |
11 |
−2.627 |
−19.064 |
9.826 |
1.00 |
16.67 |
A |
ATOM |
1725 |
SD |
MET |
A |
11 |
−3.026 |
−17.743 |
11.102 |
1.00 |
19.82 |
A |
ATOM |
1726 |
CE |
MET |
A |
11 |
−4.782 |
−17.673 |
10.947 |
1.00 |
19.20 |
A |
ATOM |
1727 |
C |
MET |
A |
11 |
−0.849 |
−20.065 |
7.455 |
1.00 |
11.51 |
A |
ATOM |
1728 |
O |
MET |
A |
11 |
−0.619 |
−21.250 |
7.759 |
1.00 |
10.85 |
A |
ATOM |
1729 |
N |
ARG |
A |
12 |
0.109 |
−19.180 |
7.208 |
1.00 |
9.73 |
A |
ATOM |
1730 |
CA |
ARG |
A |
12 |
1.508 |
−19.544 |
7.373 |
1.00 |
9.30 |
A |
ATOM |
1731 |
CB |
ARG |
A |
12 |
2.419 |
−18.405 |
6.880 |
1.00 |
9.27 |
A |
ATOM |
1732 |
CG |
ARG |
A |
12 |
2.249 |
−18.071 |
5.381 |
1.00 |
9.28 |
A |
ATOM |
1733 |
CD |
ARG |
A |
12 |
3.317 |
−17.072 |
4.886 |
1.00 |
9.18 |
A |
ATOM |
1734 |
NE |
ARG |
A |
12 |
3.265 |
−15.815 |
5.625 |
1.00 |
9.17 |
A |
ATOM |
1735 |
CZ |
ARG |
A |
12 |
2.303 |
−14.905 |
5.491 |
1.00 |
9.26 |
A |
ATOM |
1736 |
NH1 |
ARG |
A |
12 |
1.311 |
−15.106 |
4.633 |
1.00 |
9.26 |
A |
ATOM |
1737 |
NH2 |
ARG |
A |
12 |
2.320 |
−13.806 |
6.230 |
1.00 |
7.97 |
A |
ATOM |
1738 |
C |
ARG |
A |
12 |
1.692 |
−19.802 |
8.868 |
1.00 |
8.69 |
A |
ATOM |
1739 |
O |
ARG |
A |
12 |
1.922 |
−20.936 |
9.294 |
1.00 |
7.11 |
A |
ATOM |
1740 |
N |
GLY |
A |
13 |
1.568 |
−18.742 |
9.660 |
1.00 |
8.23 |
A |
ATOM |
1741 |
CA |
GLY |
A |
13 |
1.686 |
−18.879 |
11.102 |
1.00 |
8.26 |
A |
ATOM |
1742 |
C |
GLY |
A |
13 |
2.843 |
−19.731 |
11.591 |
1.00 |
7.95 |
A |
ATOM |
1743 |
O |
GLY |
A |
13 |
3.942 |
−19.685 |
11.038 |
1.00 |
8.28 |
A |
ATOM |
1744 |
N |
ARG |
A |
14 |
2.587 |
−20.533 |
12.620 |
1.00 |
8.33 |
A |
ATOM |
1745 |
CA |
ARG |
A |
14 |
3.623 |
−21.374 |
13.210 |
1.00 |
8.64 |
A |
ATOM |
1746 |
CB |
ARG |
A |
14 |
3.284 |
−21.628 |
14.676 |
1.00 |
10.55 |
A |
ATOM |
1747 |
CG |
ARG |
A |
14 |
3.169 |
−20.337 |
15.470 |
1.00 |
14.00 |
A |
ATOM |
1748 |
CD |
ARG |
A |
14 |
2.974 |
−20.601 |
16.955 |
1.00 |
16.89 |
A |
ATOM |
1749 |
NE |
ARG |
A |
14 |
4.069 |
−20.046 |
17.745 |
1.00 |
20.03 |
A |
ATOM |
1750 |
CZ |
ARG |
A |
14 |
5.312 |
−20.519 |
17.739 |
1.00 |
20.80 |
A |
ATOM |
1751 |
NH1 |
ARG |
A |
14 |
5.629 |
−21.561 |
16.988 |
1.00 |
22.98 |
A |
ATOM |
1752 |
NH2 |
ARG |
A |
14 |
6.242 |
−19.951 |
18.482 |
1.00 |
21.79 |
A |
ATOM |
1753 |
C |
ARG |
A |
14 |
3.894 |
−22.686 |
12.500 |
1.00 |
8.02 |
A |
ATOM |
1754 |
O |
ARG |
A |
14 |
4.787 |
−23.438 |
12.888 |
1.00 |
7.13 |
A |
ATOM |
1755 |
N |
ALA |
A |
15 |
3.136 |
−22.958 |
11.445 |
1.00 |
7.13 |
A |
ATOM |
1756 |
CA |
ALA |
A |
15 |
3.330 |
−24.197 |
10.706 |
1.00 |
6.67 |
A |
ATOM |
1757 |
CB |
ALA |
A |
15 |
1.987 |
−24.747 |
10.262 |
1.00 |
6.00 |
A |
ATOM |
1758 |
C |
ALA |
A |
15 |
4.221 |
−23.975 |
9.497 |
1.00 |
6.29 |
A |
ATOM |
1759 |
O |
ALA |
A |
15 |
4.765 |
−24.925 |
8.934 |
1.00 |
6.25 |
A |
ATOM |
1760 |
N |
GLU |
A |
16 |
4.383 |
−22.714 |
9.106 |
1.00 |
6.29 |
A |
ATOM |
1761 |
CA |
GLU |
A |
16 |
5.176 |
−22.402 |
7.915 |
1.00 |
5.84 |
A |
ATOM |
1762 |
CB |
GLU |
A |
16 |
5.209 |
−20.890 |
7.678 |
1.00 |
4.97 |
A |
ATOM |
1763 |
CG |
GLU |
A |
16 |
5.524 |
−20.485 |
6.235 |
1.00 |
5.83 |
A |
ATOM |
1764 |
CD |
GLU |
A |
16 |
4.520 |
−21.037 |
5.205 |
1.00 |
6.62 |
A |
ATOM |
1765 |
OE1 |
GLU |
A |
16 |
3.472 |
−21.597 |
5.601 |
1.00 |
6.92 |
A |
ATOM |
1766 |
OE2 |
GLU |
A |
16 |
4.782 |
−20.883 |
3.984 |
1.00 |
6.47 |
A |
ATOM |
1767 |
C |
GLU |
A |
16 |
6.597 |
−22.952 |
7.940 |
1.00 |
5.58 |
A |
ATOM |
1768 |
O |
GLU |
A |
16 |
7.085 |
−23.435 |
6.912 |
1.00 |
6.05 |
A |
ATOM |
1769 |
N |
ILE |
A |
17 |
7.260 |
−22.890 |
9.095 |
1.00 |
5.19 |
A |
ATOM |
1770 |
CA |
ILE |
A |
17 |
8.631 |
−23.382 |
9.203 |
1.00 |
5.07 |
A |
ATOM |
1771 |
CB |
ILE |
A |
17 |
9.222 |
−23.154 |
10.658 |
1.00 |
4.92 |
A |
ATOM |
1772 |
CG2 |
ILE |
A |
17 |
8.396 |
−23.885 |
11.716 |
1.00 |
4.41 |
A |
ATOM |
1773 |
CG1 |
ILE |
A |
17 |
10.668 |
−23.634 |
10.717 |
1.00 |
4.64 |
A |
ATOM |
1774 |
CD1 |
ILE |
A |
17 |
11.531 |
−23.053 |
9.616 |
1.00 |
5.86 |
A |
ATOM |
1775 |
C |
ILE |
A |
17 |
8.676 |
−24.858 |
8.805 |
1.00 |
4.81 |
A |
ATOM |
1776 |
O |
ILE |
A |
17 |
9.588 |
−25.305 |
8.103 |
1.00 |
4.95 |
A |
ATOM |
1966 |
N |
TRP |
A |
39 |
−11.923 |
−26.095 |
14.978 |
1.00 |
32.28 |
A |
ATOM |
1967 |
CA |
TRP |
A |
39 |
−10.853 |
−26.045 |
15.967 |
1.00 |
32.36 |
A |
ATOM |
1968 |
CB |
TRP |
A |
39 |
−10.353 |
−24.604 |
16.130 |
1.00 |
32.57 |
A |
ATOM |
1969 |
CG |
TRP |
A |
39 |
−9.352 |
−24.410 |
17.236 |
1.00 |
32.92 |
A |
ATOM |
1970 |
CD2 |
TRP |
A |
39 |
−8.212 |
−25.232 |
17.526 |
1.00 |
33.08 |
A |
ATOM |
1971 |
CE2 |
TRP |
A |
39 |
−7.565 |
−24.666 |
18.648 |
1.00 |
33.25 |
A |
ATOM |
1972 |
CE3 |
TRP |
A |
39 |
−7.676 |
−26.392 |
16.950 |
1.00 |
33.06 |
A |
ATOM |
1973 |
CD1 |
TRP |
A |
39 |
−9.345 |
−23.408 |
18.164 |
1.00 |
33.31 |
A |
ATOM |
1974 |
NE1 |
TRP |
A |
39 |
−8.277 |
−23.554 |
19.015 |
1.00 |
32.95 |
A |
ATOM |
1975 |
CZ2 |
TRP |
A |
39 |
−6.407 |
−25.220 |
19.208 |
1.00 |
33.30 |
A |
ATOM |
1976 |
CZ3 |
TRP |
A |
39 |
−6.522 |
−26.944 |
17.508 |
1.00 |
33.28 |
A |
ATOM |
1977 |
CH2 |
TRP |
A |
39 |
−5.902 |
−26.353 |
18.627 |
1.00 |
33.07 |
A |
ATOM |
1978 |
C |
TRP |
A |
39 |
−11.305 |
−26.596 |
17.323 |
1.00 |
32.24 |
A |
ATOM |
1979 |
O |
TRP |
A |
39 |
−10.653 |
−27.471 |
17.891 |
1.00 |
31.88 |
A |
ATOM |
1980 |
N |
PRO |
A |
40 |
−12.437 |
−26.098 |
17.850 |
1.00 |
32.29 |
A |
ATOM |
1981 |
CD |
PRO |
A |
40 |
−13.335 |
−25.084 |
17.264 |
1.00 |
32.39 |
A |
ATOM |
1982 |
CA |
PRO |
A |
40 |
−12.953 |
−26.557 |
19.147 |
1.00 |
32.22 |
A |
ATOM |
1983 |
CB |
PRO |
A |
40 |
−14.347 |
−25.943 |
19.198 |
1.00 |
32.41 |
A |
ATOM |
1984 |
CG |
PRO |
A |
40 |
−14.155 |
−24.651 |
18.462 |
1.00 |
32.65 |
A |
ATOM |
1985 |
C |
PRO |
A |
40 |
−12.975 |
−28.077 |
19.343 |
1.00 |
31.96 |
A |
ATOM |
1986 |
O |
PRO |
A |
40 |
−12.489 |
−28.579 |
20.355 |
1.00 |
31.96 |
A |
ATOM |
1987 |
N |
GLU |
A |
41 |
−13.527 |
−28.810 |
18.382 |
1.00 |
31.78 |
A |
ATOM |
1988 |
CA |
GLU |
A |
41 |
−13.599 |
−30.263 |
18.503 |
1.00 |
31.71 |
A |
ATOM |
1989 |
CB |
GLU |
A |
41 |
−14.590 |
−30.831 |
17.477 |
1.00 |
32.59 |
A |
ATOM |
1990 |
CG |
GLU |
A |
41 |
−16.039 |
−30.398 |
17.728 |
1.00 |
34.12 |
A |
ATOM |
1991 |
CD |
GLU |
A |
41 |
−17.008 |
−30.864 |
16.651 |
1.00 |
34.74 |
A |
ATOM |
1992 |
OE1 |
GLU |
A |
41 |
−18.136 |
−30.324 |
16.602 |
1.00 |
35.16 |
A |
ATOM |
1993 |
OE2 |
GLU |
A |
41 |
−16.650 |
−31.762 |
15.859 |
1.00 |
35.71 |
A |
ATOM |
1994 |
C |
GLU |
A |
41 |
−12.248 |
−30.965 |
18.374 |
1.00 |
31.20 |
A |
ATOM |
1995 |
O |
GLU |
A |
41 |
−12.026 |
−32.006 |
18.994 |
1.00 |
31.36 |
A |
ATOM |
1996 |
N |
ILE |
A |
42 |
−11.341 |
−30.402 |
17.581 |
1.00 |
30.36 |
A |
ATOM |
1997 |
CA |
ILE |
A |
42 |
−10.024 |
−31.008 |
17.404 |
1.00 |
29.44 |
A |
ATOM |
1998 |
CB |
ILE |
A |
42 |
−9.329 |
−30.477 |
16.132 |
1.00 |
29.45 |
A |
ATOM |
1999 |
CG2 |
ILE |
A |
42 |
−7.893 |
−30.971 |
16.070 |
1.00 |
29.10 |
A |
ATOM |
2000 |
CG1 |
ILE |
A |
42 |
−10.098 |
−30.946 |
14.896 |
1.00 |
29.17 |
A |
ATOM |
2001 |
CD1 |
ILE |
A |
42 |
−9.533 |
−30.435 |
13.587 |
1.00 |
29.41 |
A |
ATOM |
2002 |
C |
ILE |
A |
42 |
−9.133 |
−30.743 |
18.614 |
1.00 |
29.13 |
A |
ATOM |
2003 |
O |
ILE |
A |
42 |
−8.395 |
−31.621 |
19.064 |
1.00 |
28.94 |
A |
ATOM |
2004 |
N |
LYS |
A |
43 |
−9.215 |
−29.527 |
19.140 |
1.00 |
28.55 |
A |
ATOM |
2005 |
CA |
LYS |
A |
43 |
−8.427 |
−29.129 |
20.294 |
1.00 |
28.30 |
A |
ATOM |
2006 |
CB |
LYS |
A |
43 |
−8.860 |
−27.739 |
20.757 |
1.00 |
28.78 |
A |
ATOM |
2007 |
CG |
LYS |
A |
43 |
−8.047 |
−27.185 |
21.911 |
1.00 |
29.29 |
A |
ATOM |
2008 |
CD |
LYS |
A |
43 |
−8.485 |
−25.778 |
22.266 |
1.00 |
29.95 |
A |
ATOM |
2009 |
CE |
LYS |
A |
43 |
−7.585 |
−25.184 |
23.332 |
1.00 |
30.31 |
A |
ATOM |
2010 |
NZ |
LYS |
A |
43 |
−7.992 |
−23.795 |
23.662 |
1.00 |
31.39 |
A |
ATOM |
2011 |
C |
LYS |
A |
43 |
−8.554 |
−30.120 |
21.452 |
1.00 |
27.83 |
A |
ATOM |
2012 |
O |
LYS |
A |
43 |
−7.565 |
−30.471 |
22.088 |
1.00 |
27.33 |
A |
ATOM |
2052 |
N |
GLY |
A |
49 |
−3.879 |
−29.189 |
23.684 |
1.00 |
18.08 |
A |
ATOM |
2053 |
CA |
GLY |
A |
49 |
−4.819 |
−28.316 |
23.011 |
1.00 |
17.77 |
A |
ATOM |
2054 |
C |
GLY |
A |
49 |
−4.205 |
−27.233 |
22.144 |
1.00 |
17.36 |
A |
ATOM |
2055 |
O |
GLY |
A |
49 |
−4.742 |
−26.134 |
22.055 |
1.00 |
17.62 |
A |
ATOM |
2056 |
N |
LYS |
A |
50 |
−3.087 |
−27.533 |
21.492 |
1.00 |
16.57 |
A |
ATOM |
2057 |
CA |
LYS |
A |
50 |
−2.444 |
−26.544 |
20.635 |
1.00 |
15.44 |
A |
ATOM |
2058 |
CB |
LYS |
A |
50 |
−1.252 |
−25.901 |
21.357 |
1.00 |
16.66 |
A |
ATOM |
2059 |
CG |
LYS |
A |
50 |
−1.576 |
−25.229 |
22.697 |
1.00 |
19.15 |
A |
ATOM |
2060 |
CD |
LYS |
A |
50 |
−2.571 |
−24.078 |
22.546 |
1.00 |
20.62 |
A |
ATOM |
2061 |
CE |
LYS |
A |
50 |
−2.752 |
−23.310 |
23.863 |
1.00 |
22.03 |
A |
ATOM |
2062 |
NZ |
LYS |
A |
50 |
−1.454 |
−22.751 |
24.383 |
1.00 |
23.09 |
A |
ATOM |
2063 |
C |
LYS |
A |
50 |
−1.962 |
−27.136 |
19.308 |
1.00 |
14.12 |
A |
ATOM |
2064 |
O |
LYS |
A |
50 |
−1.634 |
−28.319 |
19.214 |
1.00 |
12.86 |
A |
ATOM |
2065 |
N |
ILE |
A |
51 |
−1.935 |
−26.300 |
18.280 |
1.00 |
12.71 |
A |
ATOM |
2066 |
CA |
ILE |
A |
51 |
−1.442 |
−26.709 |
16.976 |
1.00 |
11.10 |
A |
ATOM |
2067 |
CB |
ILE |
A |
51 |
−2.556 |
−26.696 |
15.904 |
1.00 |
11.18 |
A |
ATOM |
2068 |
CG2 |
ILE |
A |
51 |
−3.365 |
−27.995 |
15.981 |
1.00 |
9.64 |
A |
ATOM |
2069 |
CG1 |
ILE |
A |
51 |
−3.448 |
−25.464 |
16.085 |
1.00 |
11.01 |
A |
ATOM |
2070 |
CD1 |
ILE |
A |
51 |
−4.506 |
−25.325 |
15.031 |
1.00 |
11.08 |
A |
ATOM |
2071 |
C |
ILE |
A |
51 |
−0.361 |
−25.690 |
16.641 |
1.00 |
11.44 |
A |
ATOM |
2072 |
O |
ILE |
A |
51 |
−0.312 |
−24.616 |
17.240 |
1.00 |
11.87 |
A |
ATOM |
2073 |
N |
PRO |
A |
52 |
0.490 |
−25.983 |
15.651 |
1.00 |
10.86 |
A |
ATOM |
2074 |
CD |
PRO |
A |
52 |
1.653 |
−25.134 |
15.342 |
1.00 |
10.26 |
A |
ATOM |
2075 |
CA |
PRO |
A |
52 |
0.506 |
−27.193 |
14.826 |
1.00 |
9.60 |
A |
ATOM |
2076 |
CB |
PRO |
A |
52 |
1.479 |
−26.827 |
13.715 |
1.00 |
10.27 |
A |
ATOM |
2077 |
CG |
PRO |
A |
52 |
2.505 |
−26.052 |
14.470 |
1.00 |
10.74 |
A |
ATOM |
2078 |
C |
PRO |
A |
52 |
0.917 |
−28.512 |
15.473 |
1.00 |
9.74 |
A |
ATOM |
2079 |
O |
PRO |
A |
52 |
1.654 |
−28.551 |
16.457 |
1.00 |
9.94 |
A |
ATOM |
2080 |
N |
ILE |
A |
53 |
0.429 |
−29.595 |
14.890 |
1.00 |
9.16 |
A |
ATOM |
2081 |
CA |
ILE |
A |
53 |
0.802 |
−30.928 |
15.316 |
1.00 |
9.11 |
A |
ATOM |
2082 |
CB |
ILE |
A |
53 |
−0.356 |
−31.724 |
15.961 |
1.00 |
9.49 |
A |
ATOM |
2083 |
CG2 |
ILE |
A |
53 |
−0.587 |
−31.248 |
17.399 |
1.00 |
9.33 |
A |
ATOM |
2084 |
CG1 |
ILE |
A |
53 |
−1.625 |
−31.588 |
15.116 |
1.00 |
10.59 |
A |
ATOM |
2085 |
CD1 |
ILE |
A |
53 |
−2.661 |
−32.627 |
15.451 |
1.00 |
10.74 |
A |
ATOM |
2086 |
C |
ILE |
A |
53 |
1.209 |
−31.624 |
14.028 |
1.00 |
8.87 |
A |
ATOM |
2087 |
O |
ILE |
A |
53 |
0.795 |
−31.217 |
12.937 |
1.00 |
8.80 |
A |
ATOM |
2147 |
N |
HIS |
A |
62 |
4.066 |
−32.477 |
18.677 |
1.00 |
7.17 |
A |
ATOM |
2148 |
CA |
HIS |
A |
62 |
3.585 |
−31.113 |
18.831 |
1.00 |
7.13 |
A |
ATOM |
2149 |
CB |
HIS |
A |
62 |
2.587 |
−30.991 |
20.005 |
1.00 |
6.95 |
A |
ATOM |
2150 |
CG |
HIS |
A |
62 |
3.182 |
−31.270 |
21.350 |
1.00 |
7.27 |
A |
ATOM |
2151 |
CD2 |
HIS |
A |
62 |
3.456 |
−30.449 |
22.392 |
1.00 |
6.74 |
A |
ATOM |
2152 |
ND1 |
HIS |
A |
62 |
3.557 |
−32.535 |
21.750 |
1.00 |
7.14 |
A |
ATOM |
2153 |
CE1 |
HIS |
A |
62 |
4.030 |
−32.482 |
22.982 |
1.00 |
7.45 |
A |
ATOM |
2154 |
NE2 |
HIS |
A |
62 |
3.981 |
−31.228 |
23.394 |
1.00 |
7.97 |
A |
ATOM |
2155 |
C |
HIS |
A |
62 |
4.749 |
−30.134 |
19.018 |
1.00 |
6.81 |
A |
ATOM |
2156 |
O |
HIS |
A |
62 |
5.903 |
−30.550 |
19.138 |
1.00 |
6.11 |
A |
ATOM |
2157 |
N |
GLN |
A |
63 |
4.416 |
−28.840 |
19.036 |
1.00 |
6.34 |
A |
ATOM |
2158 |
CA |
GLN |
A |
63 |
5.371 |
−27.738 |
19.167 |
1.00 |
6.36 |
A |
ATOM |
2159 |
CB |
GLN |
A |
63 |
6.378 |
−27.990 |
20.295 |
1.00 |
6.62 |
A |
ATOM |
2160 |
CG |
GLN |
A |
63 |
5.846 |
−27.668 |
21.677 |
1.00 |
6.95 |
A |
ATOM |
2161 |
CD |
GLN |
A |
63 |
5.456 |
−26.197 |
21.848 |
1.00 |
7.39 |
A |
ATOM |
2162 |
OE1 |
GLN |
A |
63 |
5.840 |
−25.338 |
21.058 |
1.00 |
7.03 |
A |
ATOM |
2163 |
NE2 |
GLN |
A |
63 |
4.702 |
−25.909 |
22.906 |
1.00 |
7.11 |
A |
ATOM |
2164 |
C |
GLN |
A |
63 |
6.108 |
−27.532 |
17.848 |
1.00 |
6.58 |
A |
ATOM |
2165 |
O |
GLN |
A |
63 |
6.976 |
−28.325 |
17.460 |
1.00 |
5.65 |
A |
ATOM |
2166 |
N |
SER |
A |
64 |
5.756 |
−26.451 |
17.163 |
1.00 |
7.01 |
A |
ATOM |
2167 |
CA |
SER |
A |
64 |
6.327 |
−26.156 |
15.858 |
1.00 |
7.60 |
A |
ATOM |
2168 |
CB |
SER |
A |
64 |
5.830 |
−24.788 |
15.369 |
1.00 |
7.93 |
A |
ATOM |
2169 |
OG |
SER |
A |
64 |
6.500 |
−23.724 |
16.016 |
1.00 |
10.49 |
A |
ATOM |
2170 |
C |
SER |
A |
64 |
7.853 |
−26.230 |
15.726 |
1.00 |
7.47 |
A |
ATOM |
2171 |
O |
SER |
A |
64 |
8.355 |
−26.838 |
14.778 |
1.00 |
8.15 |
A |
ATOM |
2172 |
N |
LEU |
A |
65 |
8.590 |
−25.625 |
16.659 |
1.00 |
7.41 |
A |
ATOM |
2173 |
CA |
LEU |
A |
65 |
10.057 |
−25.630 |
16.588 |
1.00 |
6.62 |
A |
ATOM |
2174 |
CB |
LEU |
A |
65 |
10.635 |
−24.537 |
17.507 |
1.00 |
6.26 |
A |
ATOM |
2175 |
CG |
LEU |
A |
65 |
10.102 |
−23.122 |
17.220 |
1.00 |
6.77 |
A |
ATOM |
2176 |
CD1 |
LEU |
A |
65 |
10.889 |
−22.083 |
18.008 |
1.00 |
7.45 |
A |
ATOM |
2177 |
CD2 |
LEU |
A |
65 |
10.218 |
−22.826 |
15.727 |
1.00 |
6.34 |
A |
ATOM |
2178 |
C |
LEU |
A |
65 |
10.650 |
−26.997 |
16.928 |
1.00 |
6.30 |
A |
ATOM |
2179 |
O |
LEU |
A |
65 |
11.690 |
−27.382 |
16.393 |
1.00 |
5.38 |
A |
ATOM |
2386 |
N |
ASP |
A |
93 |
15.188 |
−19.341 |
18.472 |
1.00 |
6.02 |
A |
ATOM |
2387 |
CA |
ASP |
A |
93 |
14.502 |
−18.945 |
19.704 |
1.00 |
6.44 |
A |
ATOM |
2388 |
CB |
ASP |
A |
93 |
15.115 |
−19.629 |
20.926 |
1.00 |
6.17 |
A |
ATOM |
2389 |
CG |
ASP |
A |
93 |
14.656 |
−21.070 |
21.084 |
1.00 |
6.96 |
A |
ATOM |
2390 |
OD1 |
ASP |
A |
93 |
15.143 |
−21.748 |
22.016 |
1.00 |
8.03 |
A |
ATOM |
2391 |
OD2 |
ASP |
A |
93 |
13.816 |
−21.527 |
20.286 |
1.00 |
7.18 |
A |
ATOM |
2392 |
C |
ASP |
A |
93 |
14.500 |
−17.427 |
19.910 |
1.00 |
6.65 |
A |
ATOM |
2393 |
O |
ASP |
A |
93 |
13.550 |
−16.869 |
20.470 |
1.00 |
6.96 |
A |
ATOM |
2394 |
N |
THR |
A |
94 |
15.558 |
−16.761 |
19.467 |
1.00 |
6.46 |
A |
ATOM |
2395 |
CA |
THR |
A |
94 |
15.605 |
−15.312 |
19.606 |
1.00 |
7.09 |
A |
ATOM |
2396 |
CB |
THR |
A |
94 |
16.967 |
−14.767 |
19.156 |
1.00 |
7.44 |
A |
ATOM |
2397 |
OG1 |
THR |
A |
94 |
17.958 |
−15.187 |
20.105 |
1.00 |
8.81 |
A |
ATOM |
2398 |
CG2 |
THR |
A |
94 |
16.960 |
−13.229 |
19.084 |
1.00 |
8.28 |
A |
ATOM |
2399 |
C |
THR |
A |
94 |
14.457 |
−14.732 |
18.760 |
1.00 |
6.91 |
A |
ATOM |
2400 |
O |
THR |
A |
94 |
13.724 |
−13.845 |
19.206 |
1.00 |
7.60 |
A |
ATOM |
2401 |
N |
LEU |
A |
95 |
14.271 |
−15.265 |
17.559 |
1.00 |
6.06 |
A |
ATOM |
2402 |
CA |
LEU |
A |
95 |
13.195 |
−14.795 |
16.687 |
1.00 |
6.05 |
A |
ATOM |
2403 |
CB |
LEU |
A |
95 |
13.322 |
−15.419 |
15.294 |
1.00 |
5.72 |
A |
ATOM |
2404 |
CG |
LEU |
A |
95 |
14.587 |
−15.000 |
14.533 |
1.00 |
6.19 |
A |
ATOM |
2405 |
CD1 |
LEU |
A |
95 |
14.726 |
−15.828 |
13.269 |
1.00 |
5.14 |
A |
ATOM |
2406 |
CD2 |
LEU |
A |
95 |
14.531 |
−13.509 |
14.208 |
1.00 |
6.20 |
A |
ATOM |
2407 |
C |
LEU |
A |
95 |
11.835 |
−15.144 |
17.289 |
1.00 |
6.40 |
A |
ATOM |
2408 |
O |
LEU |
A |
95 |
10.930 |
−14.310 |
17.332 |
1.00 |
6.49 |
A |
ATOM |
2409 |
N |
ASP |
A |
96 |
11.705 |
−16.367 |
17.788 |
1.00 |
6.39 |
A |
ATOM |
2410 |
CA |
ASP |
A |
96 |
10.448 |
−16.806 |
18.378 |
1.00 |
7.84 |
A |
ATOM |
2411 |
CB |
ASP |
A |
96 |
10.531 |
−18.280 |
18.762 |
1.00 |
7.75 |
A |
ATOM |
2412 |
CG |
ASP |
A |
96 |
9.190 |
−18.956 |
18.699 |
1.00 |
7.99 |
A |
ATOM |
2413 |
OD1 |
ASP |
A |
96 |
8.526 |
−18.824 |
17.650 |
1.00 |
8.64 |
A |
ATOM |
2414 |
OD2 |
ASP |
A |
96 |
8.805 |
−19.612 |
19.685 |
1.00 |
7.98 |
A |
ATOM |
2415 |
C |
ASP |
A |
96 |
10.059 |
−15.970 |
19.601 |
1.00 |
8.25 |
A |
ATOM |
2416 |
O |
ASP |
A |
96 |
8.886 |
−15.648 |
19.787 |
1.00 |
8.44 |
A |
ATOM |
2417 |
N |
ASP |
A |
97 |
11.049 |
−15.622 |
20.422 |
1.00 |
8.47 |
A |
ATOM |
2418 |
CA |
ASP |
A |
97 |
10.810 |
−14.799 |
21.601 |
1.00 |
9.21 |
A |
ATOM |
2419 |
CB |
ASP |
A |
97 |
12.129 |
−14.473 |
22.322 |
1.00 |
9.43 |
A |
ATOM |
2420 |
CG |
ASP |
A |
97 |
12.692 |
−15.652 |
23.121 |
1.00 |
10.37 |
A |
ATOM |
2421 |
OD1 |
ASP |
A |
97 |
13.867 |
−15.570 |
23.540 |
1.00 |
10.72 |
A |
ATOM |
2422 |
OD2 |
ASP |
A |
97 |
11.974 |
−16.651 |
23.342 |
1.00 |
11.19 |
A |
ATOM |
2423 |
C |
ASP |
A |
97 |
10.145 |
−13.487 |
21.161 |
1.00 |
9.58 |
A |
ATOM |
2424 |
O |
ASP |
A |
97 |
9.120 |
−13.097 |
21.709 |
1.00 |
9.77 |
A |
ATOM |
2425 |
N |
PHE |
A |
98 |
10.726 |
−12.812 |
20.172 |
1.00 |
9.72 |
A |
ATOM |
2426 |
CA |
PHE |
A |
98 |
10.162 |
−11.551 |
19.712 |
1.00 |
9.93 |
A |
ATOM |
2427 |
CB |
PHE |
A |
98 |
11.082 |
−10.888 |
18.683 |
1.00 |
10.00 |
A |
ATOM |
2428 |
CG |
PHE |
A |
98 |
10.641 |
−9.507 |
18.285 |
1.00 |
10.18 |
A |
ATOM |
2429 |
CD1 |
PHE |
A |
98 |
10.605 |
−8.476 |
19.222 |
1.00 |
10.49 |
A |
ATOM |
2430 |
CD2 |
PHE |
A |
98 |
10.236 |
−9.246 |
16.979 |
1.00 |
10.06 |
A |
ATOM |
2431 |
CE1 |
PHE |
A |
98 |
10.164 |
−7.197 |
18.861 |
1.00 |
10.61 |
A |
ATOM |
2432 |
CE2 |
PHE |
A |
98 |
9.798 |
−7.979 |
16.612 |
1.00 |
10.38 |
A |
ATOM |
2433 |
CZ |
PHE |
A |
98 |
9.762 |
−6.954 |
17.551 |
1.00 |
10.19 |
A |
ATOM |
2434 |
C |
PHE |
A |
98 |
8.754 |
−11.721 |
19.126 |
1.00 |
10.12 |
A |
ATOM |
2435 |
O |
PHE |
A |
98 |
7.838 |
−10.967 |
19.459 |
1.00 |
9.57 |
A |
ATOM |
2436 |
N |
MET |
A |
99 |
8.572 |
−12.723 |
18.273 |
1.00 |
10.66 |
A |
ATOM |
2437 |
CA |
MET |
A |
99 |
7.266 |
−12.956 |
17.675 |
1.00 |
11.35 |
A |
ATOM |
2438 |
CB |
MET |
A |
99 |
7.319 |
−14.137 |
16.697 |
1.00 |
11.47 |
A |
ATOM |
2439 |
CG |
MET |
A |
99 |
8.239 |
−13.935 |
15.491 |
1.00 |
11.14 |
A |
ATOM |
2440 |
SD |
MET |
A |
99 |
7.912 |
−12.430 |
14.557 |
1.00 |
11.29 |
A |
ATOM |
2441 |
CE |
MET |
A |
99 |
6.373 |
−12.849 |
13.740 |
1.00 |
10.00 |
A |
ATOM |
2442 |
C |
MET |
A |
99 |
6.198 |
−13.223 |
18.745 |
1.00 |
12.00 |
A |
ATOM |
2443 |
O |
MET |
A |
99 |
5.052 |
−12.804 |
18.596 |
1.00 |
12.28 |
A |
ATOM |
2444 |
N |
SER |
A |
100 |
6.562 |
−13.909 |
19.823 |
1.00 |
12.46 |
A |
ATOM |
2445 |
CA |
SER |
A |
100 |
5.579 |
−14.189 |
20.865 |
1.00 |
13.62 |
A |
ATOM |
2446 |
CB |
SER |
A |
100 |
6.092 |
−15.288 |
21.808 |
1.00 |
13.99 |
A |
ATOM |
2447 |
OG |
SER |
A |
100 |
6.241 |
−16.513 |
21.108 |
1.00 |
15.53 |
A |
ATOM |
2448 |
C |
SER |
A |
100 |
5.181 |
−12.942 |
21.666 |
1.00 |
13.94 |
A |
ATOM |
2449 |
O |
SER |
A |
100 |
4.196 |
−12.971 |
22.400 |
1.00 |
14.47 |
A |
ATOM |
2450 |
N |
CYS |
A |
101 |
5.935 |
−11.853 |
21.520 |
1.00 |
14.58 |
A |
ATOM |
2451 |
CA |
CYS |
A |
101 |
5.634 |
−10.596 |
22.222 |
1.00 |
15.68 |
A |
ATOM |
2452 |
CB |
CYS |
A |
101 |
6.759 |
−9.571 |
22.047 |
1.00 |
16.12 |
A |
ATOM |
2453 |
SG |
CYS |
A |
101 |
8.291 |
−9.874 |
22.933 |
1.00 |
20.40 |
A |
ATOM |
2454 |
C |
CYS |
A |
101 |
4.362 |
−9.950 |
21.693 |
1.00 |
15.48 |
A |
ATOM |
2455 |
O |
CYS |
A |
101 |
3.715 |
−9.184 |
22.404 |
1.00 |
15.75 |
A |
ATOM |
2456 |
N |
PHE |
A |
102 |
4.012 |
−10.245 |
20.445 |
1.00 |
15.64 |
A |
ATOM |
2457 |
CA |
PHE |
A |
102 |
2.825 |
−9.646 |
19.849 |
1.00 |
15.94 |
A |
ATOM |
2458 |
CB |
PHE |
A |
102 |
2.898 |
−9.712 |
18.321 |
1.00 |
14.57 |
A |
ATOM |
2459 |
CG |
PHE |
A |
102 |
4.035 |
−8.929 |
17.734 |
1.00 |
13.99 |
A |
ATOM |
2460 |
CD1 |
PHE |
A |
102 |
5.336 |
−9.428 |
17.770 |
1.00 |
12.96 |
A |
ATOM |
2461 |
CD2 |
PHE |
A |
102 |
3.812 |
−7.684 |
17.158 |
1.00 |
13.28 |
A |
ATOM |
2462 |
CE1 |
PHE |
A |
102 |
6.393 |
−8.701 |
17.243 |
1.00 |
12.46 |
A |
ATOM |
2463 |
CE2 |
PHE |
A |
102 |
4.865 |
−6.949 |
16.628 |
1.00 |
13.41 |
A |
ATOM |
2464 |
CZ |
PHE |
A |
102 |
6.159 |
−7.459 |
16.671 |
1.00 |
12.82 |
A |
ATOM |
2465 |
C |
PHE |
A |
102 |
1.529 |
−10.290 |
20.321 |
1.00 |
16.74 |
A |
ATOM |
2466 |
O |
PHE |
A |
102 |
1.422 |
−11.517 |
20.399 |
1.00 |
16.41 |
A |
ATOM |
2467 |
N |
PRO |
A |
103 |
0.523 |
−9.460 |
20.642 |
1.00 |
17.53 |
A |
ATOM |
2468 |
CD |
PRO |
A |
103 |
0.599 |
−7.989 |
20.671 |
1.00 |
17.55 |
A |
ATOM |
2469 |
CA |
PRO |
A |
103 |
−0.791 |
−9.916 |
21.112 |
1.00 |
18.81 |
A |
ATOM |
2470 |
CB |
PRO |
A |
103 |
−1.372 |
−8.658 |
21.748 |
1.00 |
18.35 |
A |
ATOM |
2471 |
CG |
PRO |
A |
103 |
−0.855 |
−7.591 |
20.841 |
1.00 |
17.64 |
A |
ATOM |
2472 |
C |
PRO |
A |
103 |
−1.646 |
−10.424 |
19.954 |
1.00 |
19.69 |
A |
ATOM |
2473 |
O |
PRO |
A |
103 |
−2.663 |
−9.827 |
19.613 |
1.00 |
20.09 |
A |
ATOM |
2474 |
N |
TRP |
A |
104 |
−1.221 |
−11.527 |
19.353 |
1.00 |
21.16 |
A |
ATOM |
2475 |
CA |
TRP |
A |
104 |
−1.925 |
−12.097 |
18.215 |
1.00 |
22.57 |
A |
ATOM |
2476 |
CB |
TRP |
A |
104 |
−1.215 |
−13.364 |
17.740 |
1.00 |
22.05 |
A |
ATOM |
2477 |
CG |
TRP |
A |
104 |
0.208 |
−13.135 |
17.325 |
1.00 |
22.03 |
A |
ATOM |
2478 |
CD2 |
TRP |
A |
104 |
0.666 |
−12.577 |
16.085 |
1.00 |
22.05 |
A |
ATOM |
2479 |
CE2 |
TRP |
A |
104 |
2.076 |
−12.530 |
16.144 |
1.00 |
22.03 |
A |
ATOM |
2480 |
CE3 |
TRP |
A |
104 |
0.022 |
−12.110 |
14.931 |
1.00 |
21.92 |
A |
ATOM |
2481 |
CD1 |
TRP |
A |
104 |
1.324 |
−13.393 |
18.060 |
1.00 |
21.72 |
A |
ATOM |
2482 |
NE1 |
TRP |
A |
104 |
2.449 |
−13.036 |
17.360 |
1.00 |
21.99 |
A |
ATOM |
2483 |
CZ2 |
TRP |
A |
104 |
2.856 |
−12.037 |
15.092 |
1.00 |
22.09 |
A |
ATOM |
2484 |
CZ3 |
TRP |
A |
104 |
0.799 |
−11.618 |
13.883 |
1.00 |
22.10 |
A |
ATOM |
2485 |
CH2 |
TRP |
A |
104 |
2.199 |
−11.587 |
13.973 |
1.00 |
22.21 |
A |
ATOM |
2486 |
C |
TRP |
A |
104 |
−3.398 |
−12.404 |
18.462 |
1.00 |
23.87 |
A |
ATOM |
2487 |
O |
TRP |
A |
104 |
−4.227 |
−12.208 |
17.580 |
1.00 |
23.92 |
A |
ATOM |
2488 |
N |
ALA |
A |
105 |
−3.725 |
−12.880 |
19.658 |
1.00 |
25.71 |
A |
ATOM |
2489 |
CA |
ALA |
A |
105 |
−5.110 |
−13.223 |
19.973 |
1.00 |
27.71 |
A |
ATOM |
2490 |
CB |
ALA |
A |
105 |
−5.161 |
−14.573 |
20.686 |
1.00 |
27.28 |
A |
ATOM |
2491 |
C |
ALA |
A |
105 |
−5.827 |
−12.168 |
20.814 |
1.00 |
28.94 |
A |
ATOM |
2492 |
O |
ALA |
A |
105 |
−6.594 |
−12.503 |
21.714 |
1.00 |
29.77 |
A |
ATOM |
2493 |
N |
GLU |
A |
106 |
−5.580 |
−10.897 |
20.527 |
1.00 |
30.28 |
A |
ATOM |
2494 |
CA |
GLU |
A |
106 |
−6.227 |
−9.825 |
21.272 |
1.00 |
31.40 |
A |
ATOM |
2495 |
CB |
GLU |
A |
106 |
−5.290 |
−8.622 |
21.389 |
1.00 |
31.69 |
A |
ATOM |
2496 |
CG |
GLU |
A |
106 |
−5.919 |
−7.415 |
22.061 |
1.00 |
32.04 |
A |
ATOM |
2497 |
CD |
GLU |
A |
106 |
−6.531 |
−7.755 |
23.407 |
1.00 |
32.68 |
A |
ATOM |
2498 |
OE1 |
GLU |
A |
106 |
−5.780 |
−8.147 |
24.328 |
1.00 |
33.12 |
A |
ATOM |
2499 |
OE2 |
GLU |
A |
106 |
−7.767 |
−7.636 |
23.540 |
1.00 |
32.39 |
A |
ATOM |
2500 |
C |
GLU |
A |
106 |
−7.529 |
−9.410 |
20.589 |
1.00 |
32.24 |
A |
ATOM |
2501 |
O |
GLU |
A |
106 |
−7.526 |
−8.979 |
19.433 |
1.00 |
31.93 |
A |
ATOM |
2502 |
N |
LYS |
A |
107 |
−8.640 |
−9.545 |
21.309 |
1.00 |
33.40 |
A |
ATOM |
2503 |
CA |
LYS |
A |
107 |
−9.951 |
−9.194 |
20.768 |
1.00 |
34.44 |
A |
ATOM |
2504 |
CB |
LYS |
A |
107 |
−11.064 |
−9.645 |
21.726 |
1.00 |
35.12 |
A |
ATOM |
2505 |
CG |
LYS |
A |
107 |
−11.028 |
−11.140 |
22.042 |
1.00 |
36.21 |
A |
ATOM |
2506 |
CD |
LYS |
A |
107 |
−12.355 |
−11.678 |
22.594 |
1.00 |
36.94 |
A |
ATOM |
2507 |
CE |
LYS |
A |
107 |
−12.840 |
−10.921 |
23.833 |
1.00 |
37.48 |
A |
ATOM |
2508 |
NZ |
LYS |
A |
107 |
−13.493 |
−9.618 |
23.499 |
1.00 |
37.90 |
A |
ATOM |
2509 |
C |
LYS |
A |
107 |
−10.082 |
−7.702 |
20.472 |
1.00 |
34.49 |
A |
ATOM |
2510 |
O |
LYS |
A |
107 |
−10.542 |
−7.319 |
19.396 |
1.00 |
34.58 |
A |
ATOM |
2511 |
N |
LYS |
A |
108 |
−9.683 |
−6.860 |
21.421 |
1.00 |
34.77 |
A |
ATOM |
2512 |
CA |
LYS |
A |
108 |
−9.755 |
−5.416 |
21.208 |
1.00 |
34.85 |
A |
ATOM |
2513 |
CB |
LYS |
A |
108 |
−9.397 |
−4.654 |
22.488 |
1.00 |
35.43 |
A |
ATOM |
2514 |
CG |
LYS |
A |
108 |
−10.511 |
−4.602 |
23.526 |
1.00 |
36.43 |
A |
ATOM |
2515 |
CD |
LYS |
A |
108 |
−10.639 |
−5.902 |
24.298 |
1.00 |
37.04 |
A |
ATOM |
2516 |
CE |
LYS |
A |
108 |
−9.476 |
−6.082 |
25.262 |
1.00 |
37.43 |
A |
ATOM |
2517 |
NZ |
LYS |
A |
108 |
−9.527 |
−7.411 |
25.947 |
1.00 |
37.89 |
A |
ATOM |
2518 |
C |
LYS |
A |
108 |
−8.796 |
−5.016 |
20.088 |
1.00 |
34.70 |
A |
ATOM |
2519 |
O |
LYS |
A |
108 |
−7.578 |
−5.103 |
20.239 |
1.00 |
34.50 |
A |
ATOM |
2520 |
N |
GLN |
A |
109 |
−9.359 |
−4.575 |
18.968 |
1.00 |
34.41 |
A |
ATOM |
2521 |
CA |
GLN |
A |
109 |
−8.575 |
−4.174 |
17.806 |
1.00 |
34.31 |
A |
ATOM |
2522 |
CB |
GLN |
A |
109 |
−9.511 |
−3.809 |
16.651 |
1.00 |
35.11 |
A |
ATOM |
2523 |
CG |
GLN |
A |
109 |
−8.806 |
−3.584 |
15.327 |
1.00 |
36.38 |
A |
ATOM |
2524 |
CD |
GLN |
A |
109 |
−8.007 |
−4.800 |
14.893 |
1.00 |
37.34 |
A |
ATOM |
2525 |
OE1 |
GLN |
A |
109 |
−8.525 |
−5.922 |
14.858 |
1.00 |
37.88 |
A |
ATOM |
2526 |
NE2 |
GLN |
A |
109 |
−6.737 |
−4.586 |
14.560 |
1.00 |
37.71 |
A |
ATOM |
2527 |
C |
GLN |
A |
109 |
−7.632 |
−3.006 |
18.082 |
1.00 |
33.82 |
A |
ATOM |
2528 |
O |
GLN |
A |
109 |
−6.437 |
−3.086 |
17.802 |
1.00 |
33.77 |
A |
ATOM |
2529 |
N |
ASP |
A |
110 |
−8.178 |
−1.921 |
18.621 |
1.00 |
33.24 |
A |
ATOM |
2530 |
CA |
ASP |
A |
110 |
−7.393 |
−0.731 |
18.926 |
1.00 |
32.17 |
A |
ATOM |
2531 |
CB |
ASP |
A |
110 |
−8.290 |
0.339 |
19.561 |
1.00 |
33.29 |
A |
ATOM |
2532 |
CG |
ASP |
A |
110 |
−9.147 |
−0.208 |
20.689 |
1.00 |
34.12 |
A |
ATOM |
2533 |
OD1 |
ASP |
A |
110 |
−8.607 |
−0.469 |
21.785 |
1.00 |
34.82 |
A |
ATOM |
2534 |
OD2 |
ASP |
A |
110 |
−10.365 |
−0.383 |
20.474 |
1.00 |
35.05 |
A |
ATOM |
2535 |
C |
ASP |
A |
110 |
−6.217 |
−1.045 |
19.845 |
1.00 |
30.99 |
A |
ATOM |
2536 |
O |
ASP |
A |
110 |
−5.103 |
−0.561 |
19.626 |
1.00 |
30.41 |
A |
ATOM |
2537 |
N |
VAL |
A |
111 |
−6.469 |
−1.852 |
20.870 |
1.00 |
29.43 |
A |
ATOM |
2538 |
CA |
VAL |
A |
111 |
−5.430 |
−2.236 |
21.815 |
1.00 |
28.27 |
A |
ATOM |
2539 |
CB |
VAL |
A |
111 |
−6.010 |
−3.086 |
22.964 |
1.00 |
28.68 |
A |
ATOM |
2540 |
CG1 |
VAL |
A |
111 |
−4.891 |
−3.532 |
23.899 |
1.00 |
28.43 |
A |
ATOM |
2541 |
CG2 |
VAL |
A |
111 |
−7.061 |
−2.285 |
23.718 |
1.00 |
28.82 |
A |
ATOM |
2542 |
C |
VAL |
A |
111 |
−4.373 |
−3.061 |
21.089 |
1.00 |
27.11 |
A |
ATOM |
2543 |
O |
VAL |
A |
111 |
−3.176 |
−2.848 |
21.258 |
1.00 |
26.42 |
A |
ATOM |
2544 |
N |
LYS |
A |
112 |
−4.832 |
−4.005 |
20.276 |
1.00 |
26.09 |
A |
ATOM |
2545 |
CA |
LYS |
A |
112 |
−3.936 |
−4.866 |
19.518 |
1.00 |
25.03 |
A |
ATOM |
2546 |
CB |
LYS |
A |
112 |
−4.754 |
−5.880 |
18.717 |
1.00 |
25.17 |
A |
ATOM |
2547 |
CG |
LYS |
A |
112 |
−3.932 |
−6.879 |
17.927 |
1.00 |
25.45 |
A |
ATOM |
2548 |
CD |
LYS |
A |
112 |
−4.832 |
−7.932 |
17.297 |
1.00 |
25.91 |
A |
ATOM |
2549 |
CE |
LYS |
A |
112 |
−4.021 |
−8.973 |
16.535 |
1.00 |
26.40 |
A |
ATOM |
2550 |
NZ |
LYS |
A |
112 |
−4.889 |
−10.025 |
15.934 |
1.00 |
26.69 |
A |
ATOM |
2551 |
C |
LYS |
A |
112 |
−3.055 |
−4.044 |
18.580 |
1.00 |
24.09 |
A |
ATOM |
2552 |
O |
LYS |
A |
112 |
−1.832 |
−4.200 |
18.567 |
1.00 |
23.73 |
A |
ATOM |
2553 |
N |
GLU |
A |
113 |
−3.685 |
−3.161 |
17.810 |
1.00 |
22.88 |
A |
ATOM |
2554 |
CA |
GLU |
A |
113 |
−2.980 |
−2.314 |
16.853 |
1.00 |
22.08 |
A |
ATOM |
2555 |
CB |
GLU |
A |
113 |
−3.993 |
−1.498 |
16.036 |
1.00 |
23.03 |
A |
ATOM |
2556 |
CG |
GLU |
A |
113 |
−3.394 |
−0.676 |
14.915 |
1.00 |
24.94 |
A |
ATOM |
2557 |
CD |
GLU |
A |
113 |
−4.453 |
−0.101 |
13.976 |
1.00 |
26.15 |
A |
ATOM |
2558 |
OE1 |
GLU |
A |
113 |
−5.181 |
−0.894 |
13.332 |
1.00 |
26.50 |
A |
ATOM |
2559 |
OE2 |
GLU |
A |
113 |
−4.556 |
1.142 |
13.881 |
1.00 |
27.05 |
A |
ATOM |
2560 |
C |
GLU |
A |
113 |
−1.973 |
−1.383 |
17.532 |
1.00 |
20.78 |
A |
ATOM |
2561 |
O |
GLU |
A |
113 |
−0.874 |
−1.162 |
17.022 |
1.00 |
19.80 |
A |
ATOM |
2562 |
N |
GLN |
A |
114 |
−2.345 |
−0.839 |
18.684 |
1.00 |
19.79 |
A |
ATOM |
2563 |
CA |
GLN |
A |
114 |
−1.450 |
0.047 |
19.406 |
1.00 |
19.27 |
A |
ATOM |
2564 |
CB |
GLN |
A |
114 |
−2.154 |
0.632 |
20.634 |
1.00 |
20.01 |
A |
ATOM |
2565 |
CG |
GLN |
A |
114 |
−1.301 |
1.615 |
21.423 |
1.00 |
21.19 |
A |
ATOM |
2566 |
CD |
GLN |
A |
114 |
−0.997 |
2.890 |
20.650 |
1.00 |
22.15 |
A |
ATOM |
2567 |
OE1 |
GLN |
A |
114 |
−0.144 |
3.681 |
21.059 |
1.00 |
23.10 |
A |
ATOM |
2568 |
NE2 |
GLN |
A |
114 |
−1.699 |
3.102 |
19.536 |
1.00 |
21.70 |
A |
ATOM |
2569 |
C |
GLN |
A |
114 |
−0.188 |
−0.709 |
19.838 |
1.00 |
18.22 |
A |
ATOM |
2570 |
O |
GLN |
A |
114 |
0.927 |
−0.242 |
19.604 |
1.00 |
17.80 |
A |
ATOM |
2571 |
N |
MET |
A |
115 |
−0.365 |
−1.877 |
20.452 |
1.00 |
17.56 |
A |
ATOM |
2572 |
CA |
MET |
A |
115 |
0.769 |
−2.676 |
20.908 |
1.00 |
17.24 |
A |
ATOM |
2573 |
CB |
MET |
A |
115 |
0.290 |
−3.905 |
21.693 |
1.00 |
19.31 |
A |
ATOM |
2574 |
CG |
MET |
A |
115 |
1.431 |
−4.735 |
22.269 |
1.00 |
21.86 |
A |
ATOM |
2575 |
SD |
MET |
A |
115 |
0.923 |
−5.795 |
23.655 |
1.00 |
26.35 |
A |
ATOM |
2576 |
CE |
MET |
A |
115 |
0.941 |
−4.589 |
25.027 |
1.00 |
25.28 |
A |
ATOM |
2577 |
C |
MET |
A |
115 |
1.655 |
−3.122 |
19.744 |
1.00 |
15.84 |
A |
ATOM |
2578 |
O |
MET |
A |
115 |
2.882 |
−3.125 |
19.860 |
1.00 |
15.55 |
A |
ATOM |
2579 |
N |
PHE |
A |
116 |
1.035 |
−3.509 |
18.632 |
1.00 |
14.07 |
A |
ATOM |
2580 |
CA |
PHE |
A |
116 |
1.786 |
−3.928 |
17.452 |
1.00 |
13.26 |
A |
ATOM |
2581 |
CB |
PHE |
A |
116 |
0.845 |
−4.301 |
16.300 |
1.00 |
12.53 |
A |
ATOM |
2582 |
CG |
PHE |
A |
116 |
0.588 |
−5.775 |
16.176 |
1.00 |
12.20 |
A |
ATOM |
2583 |
CD1 |
PHE |
A |
116 |
−0.130 |
−6.453 |
17.154 |
1.00 |
12.43 |
A |
ATOM |
2584 |
CD2 |
PHE |
A |
116 |
1.076 |
−6.489 |
15.089 |
1.00 |
12.72 |
A |
ATOM |
2585 |
CE1 |
PHE |
A |
116 |
−0.360 |
−7.817 |
17.052 |
1.00 |
12.44 |
A |
ATOM |
2586 |
CE2 |
PHE |
A |
116 |
0.851 |
−7.864 |
14.974 |
1.00 |
12.31 |
A |
ATOM |
2587 |
CZ |
PHE |
A |
116 |
0.131 |
−8.526 |
15.960 |
1.00 |
12.74 |
A |
ATOM |
2588 |
C |
PHE |
A |
116 |
2.677 |
−2.775 |
17.002 |
1.00 |
12.47 |
A |
ATOM |
2589 |
O |
PHE |
A |
116 |
3.870 |
−2.948 |
16.773 |
1.00 |
12.52 |
A |
ATOM |
2876 |
N |
TYR |
A |
152 |
13.612 |
−19.507 |
9.014 |
1.00 |
7.45 |
A |
ATOM |
2877 |
CA |
TYR |
A |
152 |
12.780 |
−18.882 |
10.032 |
1.00 |
7.80 |
A |
ATOM |
2878 |
CB |
TYR |
A |
152 |
13.127 |
−19.416 |
11.419 |
1.00 |
7.71 |
A |
ATOM |
2879 |
CG |
TYR |
A |
152 |
11.963 |
−19.316 |
12.386 |
1.00 |
8.94 |
A |
ATOM |
2880 |
CD1 |
TYR |
A |
152 |
10.717 |
−19.858 |
12.063 |
1.00 |
9.56 |
A |
ATOM |
2881 |
CE1 |
TYR |
A |
152 |
9.649 |
−19.802 |
12.961 |
1.00 |
9.81 |
A |
ATOM |
2882 |
CD2 |
TYR |
A |
152 |
12.110 |
−18.706 |
13.630 |
1.00 |
9.51 |
A |
ATOM |
2883 |
CE2 |
TYR |
A |
152 |
11.050 |
−18.642 |
14.534 |
1.00 |
9.37 |
A |
ATOM |
2884 |
CZ |
TYR |
A |
152 |
9.828 |
−19.197 |
14.191 |
1.00 |
10.01 |
A |
ATOM |
2885 |
OH |
TYR |
A |
152 |
8.787 |
−19.193 |
15.101 |
1.00 |
10.22 |
A |
ATOM |
2886 |
C |
TYR |
A |
152 |
12.871 |
−17.368 |
10.032 |
1.00 |
7.80 |
A |
ATOM |
2887 |
O |
TYR |
A |
152 |
11.906 |
−16.685 |
10.363 |
1.00 |
7.64 |
A |
ATOM |
2888 |
N |
TRP |
A |
153 |
14.037 |
−16.848 |
9.671 |
1.00 |
7.83 |
A |
ATOM |
2889 |
CA |
TRP |
A |
153 |
14.217 |
−15.409 |
9.615 |
1.00 |
8.29 |
A |
ATOM |
2890 |
CB |
TRP |
A |
153 |
15.675 |
−15.058 |
9.323 |
1.00 |
8.19 |
A |
ATOM |
2891 |
CG |
TRP |
A |
153 |
15.826 |
−13.715 |
8.694 |
1.00 |
8.54 |
A |
ATOM |
2892 |
CD2 |
TRP |
A |
153 |
15.414 |
−12.464 |
9.247 |
1.00 |
8.88 |
A |
ATOM |
2893 |
CE2 |
TRP |
A |
153 |
15.716 |
−11.467 |
8.299 |
1.00 |
8.91 |
A |
ATOM |
2894 |
CE3 |
TRP |
A |
153 |
14.816 |
−12.087 |
10.458 |
1.00 |
9.75 |
A |
ATOM |
2895 |
CD1 |
TRP |
A |
153 |
16.348 |
−13.438 |
7.466 |
1.00 |
8.71 |
A |
ATOM |
2896 |
NE1 |
TRP |
A |
153 |
16.285 |
−12.087 |
7.219 |
1.00 |
9.04 |
A |
ATOM |
2897 |
CZ2 |
TRP |
A |
153 |
15.440 |
−10.111 |
8.519 |
1.00 |
9.95 |
A |
ATOM |
2898 |
CZ3 |
TRP |
A |
153 |
14.541 |
−10.734 |
10.676 |
1.00 |
9.92 |
A |
ATOM |
2899 |
CH2 |
TRP |
A |
153 |
14.855 |
−9.766 |
9.708 |
1.00 |
9.14 |
A |
ATOM |
2900 |
C |
TRP |
A |
153 |
13.336 |
−14.871 |
8.493 |
1.00 |
8.23 |
A |
ATOM |
2901 |
O |
TRP |
A |
153 |
12.676 |
−13.852 |
8.647 |
1.00 |
8.77 |
A |
ATOM |
2902 |
N |
GLU |
A |
154 |
13.336 |
−15.572 |
7.364 |
1.00 |
8.71 |
A |
ATOM |
2903 |
CA |
GLU |
A |
154 |
12.547 |
−15.159 |
6.204 |
1.00 |
8.50 |
A |
ATOM |
2904 |
CB |
GLU |
A |
154 |
12.862 |
−16.034 |
4.995 |
1.00 |
8.57 |
A |
ATOM |
2905 |
CG |
GLU |
A |
154 |
12.336 |
−15.455 |
3.679 |
1.00 |
9.53 |
A |
ATOM |
2906 |
CD |
GLU |
A |
154 |
10.920 |
−15.883 |
3.350 |
1.00 |
8.58 |
A |
ATOM |
2907 |
OE1 |
GLU |
A |
154 |
10.337 |
−15.318 |
2.400 |
1.00 |
9.21 |
A |
ATOM |
2908 |
OE2 |
GLU |
A |
154 |
10.397 |
−16.785 |
4.019 |
1.00 |
8.79 |
A |
ATOM |
2909 |
C |
GLU |
A |
154 |
11.064 |
−15.205 |
6.496 |
1.00 |
8.22 |
A |
ATOM |
2910 |
O |
GLU |
A |
154 |
10.310 |
−14.309 |
6.102 |
1.00 |
8.84 |
A |
ATOM |
2911 |
N |
ILE |
A |
155 |
10.650 |
−16.258 |
7.191 |
1.00 |
7.89 |
A |
ATOM |
2912 |
CA |
ILE |
A |
155 |
9.254 |
−16.444 |
7.547 |
1.00 |
6.85 |
A |
ATOM |
2913 |
CB |
ILE |
A |
155 |
9.041 |
−17.887 |
8.105 |
1.00 |
7.23 |
A |
ATOM |
2914 |
CG2 |
ILE |
A |
155 |
7.742 |
−17.975 |
8.898 |
1.00 |
6.59 |
A |
ATOM |
2915 |
CG1 |
ILE |
A |
155 |
9.067 |
−18.893 |
6.939 |
1.00 |
7.31 |
A |
ATOM |
2916 |
CD1 |
ILE |
A |
155 |
9.155 |
−20.382 |
7.343 |
1.00 |
5.54 |
A |
ATOM |
2917 |
C |
ILE |
A |
155 |
8.816 |
−15.378 |
8.568 |
1.00 |
7.33 |
A |
ATOM |
2918 |
O |
ILE |
A |
155 |
7.801 |
−14.702 |
8.375 |
1.00 |
6.57 |
A |
ATOM |
2919 |
N |
CYS |
A |
156 |
9.601 |
−15.196 |
9.628 |
1.00 |
7.49 |
A |
ATOM |
2920 |
CA |
CYS |
A |
156 |
9.245 |
−14.209 |
10.638 |
1.00 |
7.46 |
A |
ATOM |
2921 |
CB |
CYS |
A |
156 |
10.227 |
−14.252 |
11.818 |
1.00 |
7.91 |
A |
ATOM |
2922 |
SG |
CYS |
A |
156 |
10.226 |
−15.769 |
12.755 |
1.00 |
8.41 |
A |
ATOM |
2923 |
C |
CYS |
A |
156 |
9.230 |
−12.799 |
10.029 |
1.00 |
7.56 |
A |
ATOM |
2924 |
O |
CYS |
A |
156 |
8.238 |
−12.075 |
10.148 |
1.00 |
7.15 |
A |
ATOM |
2925 |
N |
SER |
A |
157 |
10.296 |
−12.427 |
9.319 |
1.00 |
7.31 |
A |
ATOM |
2926 |
CA |
SER |
A |
157 |
10.345 |
−11.095 |
8.733 |
1.00 |
7.15 |
A |
ATOM |
2927 |
CB |
SER |
A |
157 |
11.739 |
−10.802 |
8.137 |
1.00 |
6.90 |
A |
ATOM |
2928 |
OG |
SER |
A |
157 |
12.045 |
−11.626 |
7.027 |
1.00 |
5.72 |
A |
ATOM |
2929 |
C |
SER |
A |
157 |
9.226 |
−10.893 |
7.706 |
1.00 |
7.42 |
A |
ATOM |
2930 |
O |
SER |
A |
157 |
8.700 |
−9.793 |
7.591 |
1.00 |
7.72 |
A |
ATOM |
2931 |
N |
THR |
A |
158 |
8.831 |
−11.938 |
6.980 |
1.00 |
7.58 |
A |
ATOM |
2932 |
CA |
THR |
A |
158 |
7.744 |
−11.762 |
6.012 |
1.00 |
8.17 |
A |
ATOM |
2933 |
CB |
THR |
A |
158 |
7.434 |
−13.070 |
5.248 |
1.00 |
8.62 |
A |
ATOM |
2934 |
OG1 |
THR |
A |
158 |
8.325 |
−13.172 |
4.128 |
1.00 |
9.05 |
A |
ATOM |
2935 |
CG2 |
THR |
A |
158 |
5.989 |
−13.090 |
4.742 |
1.00 |
8.43 |
A |
ATOM |
2936 |
C |
THR |
A |
158 |
6.491 |
−11.257 |
6.733 |
1.00 |
8.44 |
A |
ATOM |
2937 |
O |
THR |
A |
158 |
5.843 |
−10.317 |
6.278 |
1.00 |
7.98 |
A |
ATOM |
2938 |
N |
THR |
A |
159 |
6.178 |
−11.848 |
7.881 |
1.00 |
8.66 |
A |
ATOM |
2939 |
CA |
THR |
A |
159 |
5.008 |
−11.421 |
8.630 |
1.00 |
9.74 |
A |
ATOM |
2940 |
CB |
THR |
A |
159 |
4.661 |
−12.441 |
9.728 |
1.00 |
11.00 |
A |
ATOM |
2941 |
OG1 |
THR |
A |
159 |
4.147 |
−13.633 |
9.113 |
1.00 |
11.94 |
A |
ATOM |
2942 |
CG2 |
THR |
A |
159 |
3.603 |
−11.874 |
10.663 |
1.00 |
11.12 |
A |
ATOM |
2943 |
C |
THR |
A |
159 |
5.136 |
−10.016 |
9.248 |
1.00 |
9.29 |
A |
ATOM |
2944 |
O |
THR |
A |
159 |
4.201 |
−9.222 |
9.163 |
1.00 |
9.32 |
A |
ATOM |
2945 |
N |
LEU |
A |
160 |
6.287 |
−9.707 |
9.850 |
1.00 |
9.10 |
A |
ATOM |
2946 |
CA |
LEU |
A |
160 |
6.509 |
−8.394 |
10.464 |
1.00 |
8.76 |
A |
ATOM |
2947 |
CB |
LEU |
A |
160 |
7.887 |
−8.342 |
11.143 |
1.00 |
8.08 |
A |
ATOM |
2948 |
CG |
LEU |
A |
160 |
8.152 |
−9.296 |
12.318 |
1.00 |
8.40 |
A |
ATOM |
2949 |
CD1 |
LEU |
A |
160 |
9.616 |
−9.250 |
12.706 |
1.00 |
7.66 |
A |
ATOM |
2950 |
CD2 |
LEU |
A |
160 |
7.259 |
−8.925 |
13.491 |
1.00 |
7.69 |
A |
ATOM |
2951 |
C |
LEU |
A |
160 |
6.424 |
−7.279 |
9.417 |
1.00 |
8.80 |
A |
ATOM |
2952 |
O |
LEU |
A |
160 |
5.912 |
−6.192 |
9.691 |
1.00 |
8.81 |
A |
ATOM |
2953 |
N |
LEU |
A |
161 |
6.946 |
−7.553 |
8.226 |
1.00 |
9.13 |
A |
ATOM |
2954 |
CA |
LEU |
A |
161 |
6.921 |
−6.586 |
7.131 |
1.00 |
9.84 |
A |
ATOM |
2955 |
CB |
LEU |
A |
161 |
7.637 |
−7.159 |
5.905 |
1.00 |
9.15 |
A |
ATOM |
2956 |
CG |
LEU |
A |
161 |
9.144 |
−6.881 |
5.882 |
1.00 |
9.55 |
A |
ATOM |
2957 |
CD1 |
LEU |
A |
161 |
9.822 |
−7.612 |
4.700 |
1.00 |
9.05 |
A |
ATOM |
2958 |
CD2 |
LEU |
A |
161 |
9.351 |
−5.388 |
5.757 |
1.00 |
8.83 |
A |
ATOM |
2959 |
C |
LEU |
A |
161 |
5.495 |
−6.184 |
6.768 |
1.00 |
10.43 |
A |
ATOM |
2960 |
O |
LEU |
A |
161 |
5.262 |
−5.090 |
6.249 |
1.00 |
10.78 |
A |
ATOM |
2961 |
N |
VAL |
A |
162 |
4.542 |
−7.068 |
7.055 |
1.00 |
10.57 |
A |
ATOM |
2962 |
CA |
VAL |
A |
162 |
3.137 |
−6.794 |
6.776 |
1.00 |
11.31 |
A |
ATOM |
2963 |
CB |
VAL |
A |
162 |
2.244 |
−8.045 |
7.041 |
1.00 |
11.09 |
A |
ATOM |
2964 |
CG1 |
VAL |
A |
162 |
0.770 |
−7.682 |
6.916 |
1.00 |
12.11 |
A |
ATOM |
2965 |
CG2 |
VAL |
A |
162 |
2.585 |
−9.147 |
6.047 |
1.00 |
11.31 |
A |
ATOM |
2966 |
C |
VAL |
A |
162 |
2.660 |
−5.648 |
7.662 |
1.00 |
11.94 |
A |
ATOM |
2967 |
O |
VAL |
A |
162 |
1.909 |
−4.789 |
7.214 |
1.00 |
12.85 |
A |
ATOM |
2968 |
N |
PHE |
A |
163 |
3.104 |
−5.622 |
8.916 |
1.00 |
12.19 |
A |
ATOM |
2969 |
CA |
PHE |
A |
163 |
2.681 |
−4.561 |
9.825 |
1.00 |
12.54 |
A |
ATOM |
2970 |
CB |
PHE |
A |
163 |
2.500 |
−5.112 |
11.239 |
1.00 |
13.07 |
A |
ATOM |
2971 |
CG |
PHE |
A |
163 |
1.527 |
−6.248 |
11.321 |
1.00 |
14.49 |
A |
ATOM |
2972 |
CD1 |
PHE |
A |
163 |
1.959 |
−7.555 |
11.156 |
1.00 |
14.30 |
A |
ATOM |
2973 |
CD2 |
PHE |
A |
163 |
0.168 |
−6.007 |
11.532 |
1.00 |
14.47 |
A |
ATOM |
2974 |
CE1 |
PHE |
A |
163 |
1.058 |
−8.618 |
11.197 |
1.00 |
15.26 |
A |
ATOM |
2975 |
CE2 |
PHE |
A |
163 |
−0.743 |
−7.061 |
11.574 |
1.00 |
15.43 |
A |
ATOM |
2976 |
CZ |
PHE |
A |
163 |
−0.297 |
−8.371 |
11.406 |
1.00 |
14.83 |
A |
ATOM |
2977 |
C |
PHE |
A |
163 |
3.625 |
−3.362 |
9.868 |
1.00 |
12.48 |
A |
ATOM |
2978 |
O |
PHE |
A |
163 |
3.233 |
−2.280 |
10.305 |
1.00 |
12.19 |
A |
ATOM |
3252 |
N |
THR |
A |
197 |
−2.372 |
−16.130 |
2.207 |
1.00 |
8.89 |
A |
ATOM |
3253 |
CA |
THR |
A |
197 |
−3.090 |
−15.716 |
3.399 |
1.00 |
9.12 |
A |
ATOM |
3254 |
CB |
THR |
A |
197 |
−3.159 |
−16.854 |
4.438 |
1.00 |
8.54 |
A |
ATOM |
3255 |
OG1 |
THR |
A |
197 |
−1.826 |
−17.241 |
4.803 |
1.00 |
7.22 |
A |
ATOM |
3256 |
CG2 |
THR |
A |
197 |
−3.891 |
−18.055 |
3.859 |
1.00 |
8.20 |
A |
ATOM |
3257 |
C |
THR |
A |
197 |
−2.349 |
−14.557 |
4.045 |
1.00 |
10.07 |
A |
ATOM |
3258 |
O |
THR |
A |
197 |
−1.153 |
−14.380 |
3.829 |
1.00 |
9.98 |
A |
ATOM |
3259 |
N |
LYS |
A |
198 |
−3.063 |
−13.756 |
4.821 |
1.00 |
11.83 |
A |
ATOM |
3260 |
CA |
LYS |
A |
198 |
−2.431 |
−12.648 |
5.525 |
1.00 |
14.16 |
A |
ATOM |
3261 |
CB |
LYS |
A |
198 |
−3.407 |
−11.497 |
5.746 |
1.00 |
14.77 |
A |
ATOM |
3262 |
CG |
LYS |
A |
198 |
−2.803 |
−10.367 |
6.571 |
1.00 |
16.50 |
A |
ATOM |
3263 |
CD |
LYS |
A |
198 |
−3.868 |
−9.483 |
7.196 |
1.00 |
17.64 |
A |
ATOM |
3264 |
CE |
LYS |
A |
198 |
−3.217 |
−8.361 |
8.008 |
1.00 |
18.15 |
A |
ATOM |
3265 |
NZ |
LYS |
A |
198 |
−4.215 |
−7.462 |
8.646 |
1.00 |
18.92 |
A |
ATOM |
3266 |
C |
LYS |
A |
198 |
−2.042 |
−13.213 |
6.882 |
1.00 |
15.13 |
A |
ATOM |
3267 |
O |
LYS |
A |
198 |
−2.869 |
−13.236 |
7.788 |
1.00 |
17.31 |
A |
ATOM |
3268 |
N |
LEU |
A |
199 |
−0.803 |
−13.670 |
7.005 |
1.00 |
14.65 |
A |
ATOM |
3269 |
CA |
LEU |
A |
199 |
−0.257 |
−14.254 |
8.234 |
1.00 |
13.81 |
A |
ATOM |
3270 |
CB |
LEU |
A |
199 |
−1.137 |
−13.966 |
9.468 |
1.00 |
15.00 |
A |
ATOM |
3271 |
CG |
LEU |
A |
199 |
−1.354 |
−12.517 |
9.953 |
1.00 |
15.52 |
A |
ATOM |
3272 |
CD1 |
LEU |
A |
199 |
−2.352 |
−12.514 |
11.110 |
1.00 |
15.65 |
A |
ATOM |
3273 |
CD2 |
LEU |
A |
199 |
−0.032 |
−11.901 |
10.400 |
1.00 |
16.55 |
A |
ATOM |
3274 |
C |
LEU |
A |
199 |
−0.078 |
−15.770 |
8.070 |
1.00 |
13.40 |
A |
ATOM |
3275 |
O |
LEU |
A |
199 |
0.673 |
−16.360 |
8.862 |
1.00 |
12.28 |
A |
ATOM |
3276 |
OXT |
LEU |
A |
199 |
−0.695 |
−16.347 |
7.147 |
1.00 |
12.25 |
A |
ATOM |
6573 |
N1 |
GSH |
F |
200 |
4.240 |
−22.620 |
20.817 |
1.00 |
44.60 |
F |
ATOM |
6574 |
CA1 |
GSH |
F |
200 |
3.413 |
−23.575 |
20.073 |
1.00 |
44.99 |
F |
ATOM |
6575 |
C1 |
GSH |
F |
200 |
4.146 |
−24.142 |
18.822 |
1.00 |
44.16 |
F |
ATOM |
6576 |
O11 |
GSH |
F |
200 |
5.277 |
−23.724 |
18.545 |
1.00 |
44.01 |
F |
ATOM |
6577 |
O12 |
GSH |
F |
200 |
3.502 |
−25.050 |
18.113 |
1.00 |
43.49 |
F |
ATOM |
6578 |
CB1 |
GSH |
F |
200 |
2.101 |
−22.895 |
19.661 |
1.00 |
45.74 |
F |
ATOM |
6579 |
CG1 |
GSH |
F |
200 |
1.180 |
−22.538 |
20.853 |
1.00 |
46.69 |
F |
ATOM |
6580 |
CD1 |
GSH |
F |
200 |
0.010 |
−21.712 |
20.254 |
1.00 |
47.11 |
F |
ATOM |
6581 |
OE1 |
GSH |
F |
200 |
−0.142 |
−20.530 |
20.586 |
1.00 |
47.97 |
F |
ATOM |
6582 |
N2 |
GSH |
F |
200 |
−0.754 |
−22.340 |
19.334 |
1.00 |
47.00 |
F |
ATOM |
6583 |
CA2 |
GSH |
F |
200 |
−1.817 |
−21.594 |
18.641 |
1.00 |
46.63 |
F |
ATOM |
6584 |
C2 |
GSH |
F |
200 |
−3.172 |
−22.214 |
18.985 |
1.00 |
46.78 |
F |
ATOM |
6585 |
O2 |
GSH |
F |
200 |
−3.381 |
−23.428 |
18.891 |
1.00 |
46.26 |
F |
ATOM |
6586 |
CB2 |
GSH |
F |
200 |
−1.659 |
−21.704 |
17.108 |
1.00 |
46.61 |
F |
ATOM |
6587 |
SG2 |
GSH |
F |
200 |
−0.726 |
−20.334 |
16.354 |
1.00 |
45.55 |
F |
ATOM |
6588 |
N3 |
GSH |
F |
200 |
−4.138 |
−21.341 |
19.347 |
1.00 |
47.03 |
F |
ATOM |
6589 |
CA3 |
GSH |
F |
200 |
−5.549 |
−21.727 |
19.555 |
1.00 |
47.63 |
F |
ATOM |
6590 |
C3 |
GSH |
F |
200 |
−5.805 |
−21.983 |
21.029 |
1.00 |
47.96 |
F |
ATOM |
6591 |
O31 |
GSH |
F |
200 |
−6.963 |
−22.325 |
21.339 |
1.00 |
48.33 |
F |
ATOM |
6592 |
O32 |
GSH |
F |
200 |
−4.849 |
−21.855 |
21.833 |
1.00 |
48.13 |
F |
ATOM |
6684 |
C1 |
CBD |
V |
201 |
1.320 |
−16.944 |
18.446 |
1.00 |
55.65 |
V |
ATOM |
6685 |
SA |
CBD |
V |
201 |
0.790 |
−17.122 |
20.115 |
1.00 |
56.02 |
V |
ATOM |
6686 |
O1A |
CBD |
V |
201 |
1.575 |
−18.205 |
20.799 |
1.00 |
55.76 |
V |
ATOM |
6687 |
O2A |
CBD |
V |
201 |
−0.636 |
−17.464 |
19.966 |
1.00 |
55.91 |
V |
ATOM |
6688 |
O3A |
CBD |
V |
201 |
1.221 |
−15.829 |
20.717 |
1.00 |
55.92 |
V |
ATOM |
6689 |
C2 |
CBD |
V |
201 |
2.711 |
−17.027 |
18.129 |
1.00 |
55.38 |
V |
ATOM |
6690 |
N2 |
CBD |
V |
201 |
3.702 |
−17.265 |
19.274 |
1.00 |
55.19 |
V |
ATOM |
6691 |
C3 |
CBD |
V |
201 |
3.112 |
−16.894 |
16.760 |
1.00 |
55.20 |
V |
ATOM |
6692 |
C4 |
CBD |
V |
201 |
4.532 |
−16.974 |
16.323 |
1.00 |
54.93 |
V |
ATOM |
6693 |
O4 |
CBD |
V |
201 |
5.374 |
−17.167 |
17.212 |
1.00 |
55.39 |
V |
ATOM |
6694 |
C5 |
CBD |
V |
201 |
5.017 |
−16.849 |
14.925 |
1.00 |
54.45 |
V |
ATOM |
6695 |
C6 |
CBD |
V |
201 |
6.495 |
−16.945 |
14.509 |
1.00 |
54.14 |
V |
ATOM |
6696 |
C7 |
CBD |
V |
201 |
6.812 |
−16.806 |
13.140 |
1.00 |
53.94 |
V |
ATOM |
6697 |
C8 |
CBD |
V |
201 |
5.803 |
−16.585 |
12.172 |
1.00 |
53.98 |
V |
ATOM |
6698 |
C9 |
CBD |
V |
201 |
4.432 |
−16.493 |
12.529 |
1.00 |
54.22 |
V |
ATOM |
6699 |
C10 |
CBD |
V |
201 |
4.023 |
−16.624 |
13.897 |
1.00 |
54.48 |
V |
ATOM |
6700 |
C11 |
CBD |
V |
201 |
2.621 |
−16.543 |
14.333 |
1.00 |
54.89 |
V |
ATOM |
6701 |
O11 |
CBD |
V |
201 |
1.771 |
−16.353 |
13.468 |
1.00 |
54.55 |
V |
ATOM |
6702 |
C12 |
CBD |
V |
201 |
2.094 |
−16.666 |
15.725 |
1.00 |
55.45 |
V |
ATOM |
6703 |
C13 |
CBD |
V |
201 |
0.676 |
−16.584 |
16.095 |
1.00 |
56.18 |
V |
ATOM |
6704 |
C14 |
CBD |
V |
201 |
0.298 |
−16.725 |
17.474 |
1.00 |
55.98 |
V |
ATOM |
6705 |
NB |
CBD |
V |
201 |
−0.387 |
−16.360 |
15.063 |
1.00 |
57.55 |
V |
ATOM |
6706 |
CB1 |
CBD |
V |
201 |
−4.096 |
−17.069 |
15.898 |
1.00 |
61.45 |
V |
ATOM |
6707 |
SB |
CBD |
V |
201 |
−5.117 |
−18.384 |
16.588 |
1.00 |
62.03 |
V |
ATOM |
6708 |
O1B |
CBD |
V |
201 |
−5.591 |
−17.837 |
17.918 |
1.00 |
62.06 |
V |
ATOM |
6709 |
O2B |
CBD |
V |
201 |
−4.217 |
−19.550 |
16.781 |
1.00 |
62.13 |
V |
ATOM |
6710 |
O3B |
CBD |
V |
201 |
−6.221 |
−18.727 |
15.629 |
1.00 |
61.84 |
V |
ATOM |
6711 |
CB2 |
CBD |
V |
201 |
−4.648 |
−15.806 |
15.457 |
1.00 |
61.61 |
V |
ATOM |
6712 |
CB3 |
CBD |
V |
201 |
−3.798 |
−14.783 |
14.909 |
1.00 |
60.85 |
V |
ATOM |
6713 |
CB4 |
CBD |
V |
201 |
−2.415 |
−14.973 |
14.785 |
1.00 |
59.79 |
V |
ATOM |
6714 |
CB5 |
CBD |
V |
201 |
−1.838 |
−16.208 |
15.214 |
1.00 |
59.24 |
V |
ATOM |
6715 |
CB6 |
CBD |
V |
201 |
−2.667 |
−17.266 |
15.769 |
1.00 |
60.28 |
V |
ATOM |
6716 |
NC |
CBD |
V |
201 |
−6.100 |
−15.699 |
15.626 |
1.00 |
62.61 |
V |
ATOM |
6717 |
NC1 |
CBD |
V |
201 |
−7.272 |
−13.869 |
16.843 |
1.00 |
64.01 |
V |
ATOM |
6718 |
CC2 |
CBD |
V |
201 |
−7.958 |
−12.677 |
16.830 |
1.00 |
64.30 |
V |
ATOM |
6719 |
XCL |
CBD |
V |
201 |
−8.536 |
−11.955 |
18.433 |
1.00 |
64.97 |
V |
ATOM |
6720 |
NC3 |
CBD |
V |
201 |
−8.179 |
−12.086 |
15.587 |
1.00 |
64.60 |
V |
ATOM |
6721 |
CC4 |
CBD |
V |
201 |
−7.742 |
−12.647 |
14.411 |
1.00 |
64.72 |
V |
ATOM |
6722 |
NC5 |
CBD |
V |
201 |
−7.067 |
−13.826 |
14.459 |
1.00 |
64.27 |
V |
ATOM |
6723 |
CC6 |
CBD |
V |
201 |
−6.835 |
−14.427 |
15.666 |
1.00 |
63.60 |
V |
ATOM |
6724 |
ND |
CBD |
V |
201 |
−7.999 |
−11.990 |
13.118 |
1.00 |
65.16 |
V |
ATOM |
6725 |
CD1 |
CBD |
V |
201 |
−6.460 |
−11.914 |
11.166 |
1.00 |
65.80 |
V |
ATOM |
6726 |
SD |
CBD |
V |
201 |
−5.663 |
−10.543 |
12.000 |
1.00 |
66.14 |
V |
ATOM |
6727 |
O1D |
CBD |
V |
201 |
−4.963 |
−11.035 |
13.249 |
1.00 |
66.20 |
V |
ATOM |
6728 |
O2D |
CBD |
V |
201 |
−6.740 |
−9.533 |
12.229 |
1.00 |
66.14 |
V |
ATOM |
6729 |
O3D |
CBD |
V |
201 |
−4.469 |
−9.967 |
11.283 |
1.00 |
66.06 |
V |
ATOM |
6730 |
CD2 |
CBD |
V |
201 |
−7.612 |
−12.553 |
11.819 |
1.00 |
65.58 |
V |
ATOM |
6731 |
CD3 |
CBD |
V |
201 |
−8.282 |
−13.667 |
11.168 |
1.00 |
65.50 |
V |
ATOM |
6732 |
CD4 |
CBD |
V |
201 |
−7.820 |
−14.138 |
9.898 |
1.00 |
65.62 |
V |
ATOM |
6733 |
CD5 |
CBD |
V |
201 |
−6.689 |
−13.516 |
9.253 |
1.00 |
65.58 |
V |
ATOM |
6734 |
CD6 |
CBD |
V |
201 |
−6.009 |
−12.418 |
9.867 |
1.00 |
65.66 |
V |
ATOM |
6736 |
CA + 2 |
CA2 |
M |
902 |
10.668 |
−20.783 |
23.896 |
1.00 |
51.04 |
M |
ATOM |
6737 |
OH2 |
WAT |
S |
1 |
1.351 |
−21.691 |
3.667 |
1.00 |
7.98 |
S |
ATOM |
6739 |
OH2 |
WAT |
S |
3 |
−1.239 |
−27.422 |
7.740 |
1.00 |
3.33 |
S |
ATOM |
6740 |
OH2 |
WAT |
S |
4 |
8.134 |
−25.070 |
19.531 |
1.00 |
9.51 |
S |
ATOM |
6743 |
OH2 |
WAT |
S |
7 |
6.599 |
−20.828 |
11.162 |
1.00 |
4.11 |
S |
ATOM |
6747 |
OH2 |
WAT |
S |
11 |
5.286 |
−16.048 |
7.235 |
1.00 |
3.73 |
S |
ATOM |
6751 |
OH2 |
WAT |
S |
15 |
6.780 |
−21.479 |
14.227 |
1.00 |
6.02 |
S |
ATOM |
6758 |
OH2 |
WAT |
S |
22 |
0.702 |
−16.833 |
2.360 |
1.00 |
8.75 |
S |
ATOM |
6760 |
OH2 |
WAT |
S |
24 |
7.629 |
−15.477 |
2.582 |
1.00 |
9.74 |
S |
ATOM |
6761 |
OH2 |
WAT |
S |
25 |
−2.129 |
−33.873 |
12.001 |
1.00 |
6.94 |
S |
ATOM |
6772 |
OH2 |
WAT |
S |
36 |
0.027 |
−13.756 |
1.035 |
1.00 |
15.53 |
S |
ATOM |
6773 |
OH2 |
WAT |
S |
37 |
2.414 |
−15.170 |
10.370 |
1.00 |
10.38 |
S |
ATOM |
6777 |
OH2 |
WAT |
S |
42 |
9.861 |
−20.611 |
21.788 |
1.00 |
19.36 |
S |
ATOM |
6782 |
OH2 |
WAT |
S |
47 |
−0.738 |
−19.696 |
3.763 |
1.00 |
7.26 |
S |
ATOM |
6786 |
OH2 |
WAT |
S |
51 |
−8.079 |
−21.562 |
9.291 |
1.00 |
11.54 |
S |
ATOM |
6798 |
OH2 |
WAT |
S |
63 |
11.971 |
−27.063 |
20.805 |
1.00 |
13.89 |
S |
ATOM |
6799 |
OH2 |
WAT |
S |
64 |
−6.746 |
−29.289 |
4.136 |
1.00 |
17.17 |
S |
ATOM |
6806 |
OH2 |
WAT |
S |
71 |
2.082 |
−27.303 |
18.951 |
1.00 |
6.50 |
S |
ATOM |
6808 |
OH2 |
WAT |
S |
73 |
6.370 |
−34.029 |
20.049 |
1.00 |
7.66 |
S |
ATOM |
6833 |
OH2 |
WAT |
S |
98 |
−0.925 |
−29.526 |
21.487 |
1.00 |
8.88 |
S |
ATOM |
6873 |
OH2 |
WAT |
S |
138 |
12.612 |
−27.001 |
23.449 |
1.00 |
21.34 |
S |
ATOM |
6881 |
OH2 |
WAT |
S |
146 |
1.862 |
−24.047 |
27.300 |
1.00 |
13.69 |
S |
ATOM |
6900 |
OH2 |
WAT |
S |
165 |
8.353 |
−19.515 |
24.914 |
1.00 |
21.77 |
S |
ATOM |
6940 |
OH2 |
WAT |
S |
205 |
−5.859 |
−14.566 |
5.222 |
1.00 |
13.11 |
S |
ATOM |
6972 |
OH2 |
WAT |
S |
237 |
−2.575 |
−19.558 |
21.111 |
1.00 |
44.73 |
S |
ATOM |
6992 |
OH2 |
WAT |
S |
257 |
−8.895 |
−24.364 |
5.325 |
1.00 |
26.95 |
S |
ATOM |
6996 |
OH2 |
WAT |
S |
261 |
4.413 |
−17.589 |
25.511 |
1.00 |
30.40 |
S |
ATOM |
7000 |
OH2 |
WAT |
S |
265 |
−5.639 |
−28.605 |
26.537 |
1.00 |
35.00 |
S |
ATOM |
7015 |
OH2 |
WAT |
S |
280 |
−6.647 |
−16.720 |
1.613 |
1.00 |
29.73 |
S |
ATOM |
7031 |
OH2 |
WAT |
S |
296 |
13.593 |
−19.947 |
25.168 |
1.00 |
25.03 |
S |
ATOM |
7053 |
OH2 |
WAT |
S |
318 |
6.658 |
−19.330 |
21.220 |
1.00 |
29.42 |
S |
ATOM |
7057 |
OH2 |
WAT |
S |
322 |
7.702 |
−22.083 |
20.657 |
1.00 |
26.23 |
S |
ATOM |
7060 |
OH2 |
WAT |
S |
325 |
13.812 |
−24.922 |
22.589 |
1.00 |
25.62 |
S |
ATOM |
7066 |
OH2 |
WAT |
S |
331 |
−3.023 |
−35.741 |
20.966 |
1.00 |
51.90 |
S |
ATOM |
7071 |
OH2 |
WAT |
S |
336 |
8.646 |
−22.439 |
23.070 |
1.00 |
32.36 |
S |
ATOM |
7117 |
OH2 |
WAT |
S |
383 |
−7.864 |
−19.607 |
18.001 |
1.00 |
49.01 |
S |
ATOM |
7119 |
OH2 |
WAT |
S |
385 |
12.122 |
−19.312 |
22.304 |
1.00 |
36.04 |
S |
ATOM |
7149 |
OH2 |
WAT |
S |
415 |
4.500 |
−17.354 |
9.500 |
1.00 |
17.11 |
S |
ATOM |
7151 |
OH2 |
WAT |
S |
417 |
3.003 |
−10.979 |
2.789 |
1.00 |
8.57 |
S |
ATOM |
7161 |
OH2 |
WAT |
S |
427 |
1.666 |
−28.319 |
21.869 |
1.00 |
9.23 |
S |
ATOM |
7173 |
OH2 |
WAT |
S |
439 |
1.707 |
−26.590 |
23.994 |
1.00 |
20.49 |
S |
ATOM |
7175 |
OH2 |
WAT |
S |
441 |
−7.142 |
−12.553 |
6.181 |
1.00 |
27.77 |
S |
ATOM |
7217 |
OH2 |
WAT |
S |
483 |
−1.287 |
−25.245 |
26.731 |
1.00 |
38.16 |
S |
ATOM |
7239 |
OH2 |
WAT |
S |
505 |
8.962 |
−18.324 |
22.747 |
1.00 |
40.69 |
S |
ATOM |
7269 |
OH2 |
WAT |
S |
535 |
−8.231 |
−19.382 |
10.779 |
1.00 |
39.27 |
S |
ATOM |
7291 |
OH2 |
WAT |
S |
557 |
−7.790 |
−15.423 |
3.534 |
1.00 |
48.88 |
S |
ATOM |
7294 |
OH2 |
WAT |
S |
560 |
−6.131 |
−17.042 |
6.655 |
1.00 |
28.01 |
S |
ATOM |
7305 |
OH2 |
WAT |
S |
571 |
−5.344 |
−20.658 |
29.405 |
1.00 |
33.64 |
S |
ATOM |
7319 |
OH2 |
WAT |
S |
585 |
−8.529 |
−10.641 |
23.648 |
1.00 |
36.23 |
S |
ATOM |
7335 |
OH2 |
WAT |
S |
601 |
13.245 |
−24.342 |
20.045 |
1.00 |
20.43 |
S |
ATOM |
7341 |
OH2 |
WAT |
S |
607 |
15.091 |
−23.061 |
18.509 |
1.00 |
28.00 |
S |
ATOM |
7342 |
OH2 |
WAT |
S |
608 |
2.114 |
−23.889 |
24.521 |
1.00 |
24.13 |
S |
ATOM |
7354 |
OH2 |
WAT |
S |
620 |
−5.822 |
−33.782 |
12.796 |
1.00 |
39.40 |
S |
ATOM |
7412 |
OH2 |
WAT |
S |
679 |
−4.210 |
−15.053 |
7.903 |
1.00 |
7.85 |
S |
ATOM |
7416 |
OH2 |
WAT |
S |
683 |
−11.812 |
−20.860 |
17.588 |
1.00 |
35.78 |
S |
ATOM |
7418 |
OH2 |
WAT |
S |
685 |
−5.319 |
−36.445 |
17.400 |
1.00 |
36.65 |
S |
ATOM |
7432 |
OH2 |
WAT |
S |
701 |
0.414 |
−10.954 |
3.856 |
1.00 |
3.57 |
S |
ATOM |
7433 |
OH2 |
WAT |
S |
702 |
3.171 |
−13.470 |
2.015 |
1.00 |
31.21 |
S |
ATOM |
7518 |
OH2 |
WAT |
S |
792 |
−6.880 |
−19.345 |
1.064 |
1.00 |
28.83 |
S |
ATOM |
7544 |
OH2 |
WAT |
S |
818 |
−14.589 |
−21.459 |
10.093 |
1.00 |
28.52 |
S |
ATOM |
7546 |
OH2 |
WAT |
S |
820 |
−15.291 |
−27.899 |
16.026 |
1.00 |
38.45 |
S |
ATOM |
7576 |
OH2 |
WAT |
S |
850 |
4.135 |
−19.875 |
21.107 |
1.00 |
51.02 |
S |
ATOM |
7581 |
OH2 |
WAT |
S |
855 |
5.075 |
−11.173 |
29.078 |
1.00 |
44.63 |
S |
ATOM |
7582 |
OH2 |
WAT |
S |
856 |
−1.969 |
−27.093 |
28.386 |
1.00 |
36.21 |
S |
ATOM |
7590 |
OH2 |
WAT |
S |
864 |
1.742 |
−9.916 |
24.316 |
1.00 |
49.81 |
S |
ATOM |
7591 |
OH2 |
WAT |
S |
865 |
6.598 |
−16.698 |
4.969 |
1.00 |
27.41 |
S |
|
-
TABLE 8 |
|
Three-dimensional structural coordinate of the complex of |
human hematopoietic PGDS (SEQ ID NO: 1) with magnesium, |
glutathione and 4-benzhydryloxy-1-{3-(1H-tetrazol-5-yl)- |
propyl}piperidine |
(HQL-79) |
|
|
ATOM |
4966 |
N |
TYR |
A |
8 |
17.463 |
−2.741 |
10.967 |
1.00 |
2.30 |
A |
ATOM |
4967 |
CA |
TYR |
A |
8 |
16.069 |
−2.648 |
11.384 |
1.00 |
2.27 |
A |
ATOM |
4968 |
CB |
TYR |
A |
8 |
15.463 |
−1.311 |
10.947 |
1.00 |
1.93 |
A |
ATOM |
4969 |
CG |
TYR |
A |
8 |
14.123 |
−1.007 |
11.579 |
1.00 |
1.75 |
A |
ATOM |
4970 |
CD1 |
TYR |
A |
8 |
13.996 |
−0.888 |
12.962 |
1.00 |
1.76 |
A |
ATOM |
4971 |
CE1 |
TYR |
A |
8 |
12.771 |
−0.568 |
13.551 |
1.00 |
1.82 |
A |
ATOM |
4972 |
CD2 |
TYR |
A |
8 |
12.987 |
−0.803 |
10.792 |
1.00 |
1.81 |
A |
ATOM |
4973 |
CE2 |
TYR |
A |
8 |
11.762 |
−0.479 |
11.366 |
1.00 |
2.19 |
A |
ATOM |
4974 |
CZ |
TYR |
A |
8 |
11.658 |
−0.360 |
12.748 |
1.00 |
1.84 |
A |
ATOM |
4975 |
OH |
TYR |
A |
8 |
10.456 |
−0.003 |
13.318 |
1.00 |
2.39 |
A |
ATOM |
4976 |
C |
TYR |
A |
8 |
15.320 |
−3.786 |
10.709 |
1.00 |
2.74 |
A |
ATOM |
4977 |
O |
TYR |
A |
8 |
15.902 |
−4.543 |
9.939 |
1.00 |
2.59 |
A |
ATOM |
4978 |
N |
PHE |
A |
9 |
14.033 |
−3.916 |
11.011 |
1.00 |
3.54 |
A |
ATOM |
4979 |
CA |
PHE |
A |
9 |
13.216 |
−4.945 |
10.378 |
1.00 |
4.12 |
A |
ATOM |
4980 |
CB |
PHE |
A |
9 |
11.873 |
−5.079 |
11.102 |
1.00 |
4.53 |
A |
ATOM |
4981 |
CG |
PHE |
A |
9 |
11.981 |
−5.579 |
12.511 |
1.00 |
4.71 |
A |
ATOM |
4982 |
CD1 |
PHE |
A |
9 |
11.552 |
−4.791 |
13.577 |
1.00 |
5.32 |
A |
ATOM |
4983 |
CD2 |
PHE |
A |
9 |
12.499 |
−6.844 |
12.777 |
1.00 |
5.02 |
A |
ATOM |
4984 |
CE1 |
PHE |
A |
9 |
11.639 |
−5.256 |
14.889 |
1.00 |
5.60 |
A |
ATOM |
4985 |
CE2 |
PHE |
A |
9 |
12.589 |
−7.316 |
14.085 |
1.00 |
5.47 |
A |
ATOM |
4986 |
CZ |
PHE |
A |
9 |
12.158 |
−6.521 |
15.142 |
1.00 |
5.95 |
A |
ATOM |
4987 |
C |
PHE |
A |
9 |
12.946 |
−4.517 |
8.936 |
1.00 |
4.36 |
A |
ATOM |
4988 |
O |
PHE |
A |
9 |
13.277 |
−3.398 |
8.532 |
1.00 |
4.11 |
A |
ATOM |
4989 |
N |
ASN |
A |
10 |
12.354 |
−5.405 |
8.146 |
1.00 |
4.68 |
A |
ATOM |
4990 |
CA |
ASN |
A |
10 |
12.026 |
−5.046 |
6.778 |
1.00 |
5.42 |
A |
ATOM |
4991 |
CB |
ASN |
A |
10 |
11.933 |
−6.278 |
5.880 |
1.00 |
5.82 |
A |
ATOM |
4992 |
CG |
ASN |
A |
10 |
11.502 |
−5.933 |
4.465 |
1.00 |
6.24 |
A |
ATOM |
4993 |
OD1 |
ASN |
A |
10 |
11.787 |
−4.841 |
3.954 |
1.00 |
6.66 |
A |
ATOM |
4994 |
ND2 |
ASN |
A |
10 |
10.822 |
−6.869 |
3.814 |
1.00 |
7.65 |
A |
ATOM |
4995 |
C |
ASN |
A |
10 |
10.694 |
−4.319 |
6.813 |
1.00 |
5.70 |
A |
ATOM |
4996 |
O |
ASN |
A |
10 |
9.636 |
−4.892 |
6.537 |
1.00 |
5.50 |
A |
ATOM |
4997 |
N |
MET |
A |
11 |
10.763 |
−3.054 |
7.208 |
1.00 |
6.01 |
A |
ATOM |
4998 |
CA |
MET |
A |
11 |
9.597 |
−2.189 |
7.287 |
1.00 |
6.18 |
A |
ATOM |
4999 |
CB |
MET |
A |
11 |
8.725 |
−2.548 |
8.500 |
1.00 |
9.09 |
A |
ATOM |
5000 |
CG |
MET |
A |
11 |
9.416 |
−2.585 |
9.840 |
1.00 |
11.64 |
A |
ATOM |
5001 |
SD |
MET |
A |
11 |
8.242 |
−3.077 |
11.159 |
1.00 |
15.13 |
A |
ATOM |
5002 |
CE |
MET |
A |
11 |
8.390 |
−4.861 |
11.133 |
1.00 |
14.75 |
A |
ATOM |
5003 |
C |
MET |
A |
11 |
10.072 |
−0.749 |
7.378 |
1.00 |
5.10 |
A |
ATOM |
5004 |
O |
MET |
A |
11 |
11.250 |
−0.502 |
7.633 |
1.00 |
4.65 |
A |
ATOM |
5005 |
N |
ARG |
A |
12 |
9.168 |
0.193 |
7.132 |
1.00 |
4.17 |
A |
ATOM |
5006 |
CA |
ARG |
A |
12 |
9.518 |
1.607 |
7.220 |
1.00 |
3.48 |
A |
ATOM |
5007 |
CB |
ARG |
A |
12 |
8.395 |
2.484 |
6.640 |
1.00 |
3.58 |
A |
ATOM |
5008 |
CG |
ARG |
A |
12 |
8.129 |
2.254 |
5.147 |
1.00 |
4.20 |
A |
ATOM |
5009 |
CD |
ARG |
A |
12 |
7.130 |
3.273 |
4.574 |
1.00 |
4.87 |
A |
ATOM |
5010 |
NE |
ARG |
A |
12 |
5.888 |
3.302 |
5.344 |
1.00 |
5.23 |
A |
ATOM |
5011 |
CZ |
ARG |
A |
12 |
4.941 |
2.372 |
5.278 |
1.00 |
5.80 |
A |
ATOM |
5012 |
NH1 |
ARG |
A |
12 |
5.080 |
1.336 |
4.466 |
1.00 |
5.95 |
A |
ATOM |
5013 |
NH2 |
ARG |
A |
12 |
3.865 |
2.465 |
6.052 |
1.00 |
5.74 |
A |
ATOM |
5014 |
C |
ARG |
A |
12 |
9.725 |
1.891 |
8.704 |
1.00 |
2.96 |
A |
ATOM |
5015 |
O |
ARG |
A |
12 |
10.844 |
2.170 |
9.144 |
1.00 |
2.74 |
A |
ATOM |
5016 |
N |
GLY |
A |
13 |
8.639 |
1.808 |
9.466 |
1.00 |
2.56 |
A |
ATOM |
5017 |
CA |
GLY |
A |
13 |
8.697 |
2.009 |
10.904 |
1.00 |
2.19 |
A |
ATOM |
5018 |
C |
GLY |
A |
13 |
9.591 |
3.120 |
11.415 |
1.00 |
2.22 |
A |
ATOM |
5019 |
O |
GLY |
A |
13 |
9.625 |
4.212 |
10.850 |
1.00 |
2.01 |
A |
ATOM |
5020 |
N |
ARG |
A |
14 |
10.321 |
2.833 |
12.489 |
1.00 |
2.32 |
A |
ATOM |
5021 |
CA |
ARG |
A |
14 |
11.192 |
3.823 |
13.108 |
1.00 |
2.60 |
A |
ATOM |
5022 |
CB |
ARG |
A |
14 |
11.457 |
3.436 |
14.570 |
1.00 |
2.99 |
A |
ATOM |
5023 |
CG |
ARG |
A |
14 |
10.223 |
3.584 |
15.442 |
1.00 |
4.04 |
A |
ATOM |
5024 |
CD |
ARG |
A |
14 |
10.492 |
3.265 |
16.906 |
1.00 |
5.12 |
A |
ATOM |
5025 |
NE |
ARG |
A |
14 |
9.320 |
3.584 |
17.718 |
1.00 |
6.44 |
A |
ATOM |
5026 |
CZ |
ARG |
A |
14 |
8.960 |
4.815 |
18.073 |
1.00 |
7.09 |
A |
ATOM |
5027 |
NH1 |
ARG |
A |
14 |
9.688 |
5.867 |
17.709 |
1.00 |
7.50 |
A |
ATOM |
5028 |
NH2 |
ARG |
A |
14 |
7.841 |
4.998 |
18.765 |
1.00 |
7.96 |
A |
ATOM |
5029 |
C |
ARG |
A |
14 |
12.510 |
4.077 |
12.392 |
1.00 |
2.41 |
A |
ATOM |
5030 |
O |
ARG |
A |
14 |
13.238 |
4.997 |
12.750 |
1.00 |
2.83 |
A |
ATOM |
5031 |
N |
ALA |
A |
15 |
12.822 |
3.277 |
11.378 |
1.00 |
2.21 |
A |
ATOM |
5032 |
CA |
ALA |
A |
15 |
14.068 |
3.484 |
10.648 |
1.00 |
1.80 |
A |
ATOM |
5033 |
CB |
ALA |
A |
15 |
14.627 |
2.144 |
10.156 |
1.00 |
2.27 |
A |
ATOM |
5034 |
C |
ALA |
A |
15 |
13.858 |
4.405 |
9.458 |
1.00 |
1.82 |
A |
ATOM |
5035 |
O |
ALA |
A |
15 |
14.815 |
4.976 |
8.938 |
1.00 |
1.57 |
A |
ATOM |
5036 |
N |
GLU |
A |
16 |
12.610 |
4.575 |
9.033 |
1.00 |
1.93 |
A |
ATOM |
5037 |
CA |
GLU |
A |
16 |
12.359 |
5.372 |
7.840 |
1.00 |
1.94 |
A |
ATOM |
5038 |
CB |
GLU |
A |
16 |
10.870 |
5.346 |
7.482 |
1.00 |
2.14 |
A |
ATOM |
5039 |
CG |
GLU |
A |
16 |
10.579 |
5.687 |
6.016 |
1.00 |
2.49 |
A |
ATOM |
5040 |
CD |
GLU |
A |
16 |
11.126 |
4.665 |
5.011 |
1.00 |
3.04 |
A |
ATOM |
5041 |
OE1 |
GLU |
A |
16 |
11.667 |
3.615 |
5.422 |
1.00 |
3.42 |
A |
ATOM |
5042 |
OE2 |
GLU |
A |
16 |
11.008 |
4.916 |
3.793 |
1.00 |
3.55 |
A |
ATOM |
5043 |
C |
GLU |
A |
16 |
12.875 |
6.801 |
7.878 |
1.00 |
1.89 |
A |
ATOM |
5044 |
O |
GLU |
A |
16 |
13.356 |
7.302 |
6.866 |
1.00 |
1.73 |
A |
ATOM |
5045 |
N |
ILE |
A |
17 |
12.807 |
7.460 |
9.030 |
1.00 |
1.19 |
A |
ATOM |
5046 |
CA |
ILE |
A |
17 |
13.306 |
8.825 |
9.107 |
1.00 |
1.35 |
A |
ATOM |
5047 |
CB |
ILE |
A |
17 |
13.031 |
9.454 |
10.510 |
1.00 |
1.50 |
A |
ATOM |
5048 |
CG2 |
ILE |
A |
17 |
13.702 |
8.649 |
11.614 |
1.00 |
1.52 |
A |
ATOM |
5049 |
CG1 |
ILE |
A |
17 |
13.514 |
10.909 |
10.532 |
1.00 |
1.26 |
A |
ATOM |
5050 |
CD1 |
ILE |
A |
17 |
12.833 |
11.795 |
9.501 |
1.00 |
1.74 |
A |
ATOM |
5051 |
C |
ILE |
A |
17 |
14.807 |
8.856 |
8.760 |
1.00 |
1.44 |
A |
ATOM |
5052 |
O |
ILE |
A |
17 |
15.275 |
9.775 |
8.079 |
1.00 |
2.26 |
A |
ATOM |
5242 |
N |
TRP |
A |
39 |
16.279 |
−11.644 |
14.583 |
1.00 |
11.83 |
A |
ATOM |
5243 |
CA |
TRP |
A |
39 |
16.330 |
−10.580 |
15.586 |
1.00 |
11.41 |
A |
ATOM |
5244 |
CB |
TRP |
A |
39 |
14.938 |
−9.947 |
15.714 |
1.00 |
10.48 |
A |
ATOM |
5245 |
CG |
TRP |
A |
39 |
14.752 |
−8.981 |
16.856 |
1.00 |
9.62 |
A |
ATOM |
5246 |
CD2 |
TRP |
A |
39 |
15.630 |
−7.913 |
17.256 |
1.00 |
9.22 |
A |
ATOM |
5247 |
CE2 |
TRP |
A |
39 |
15.022 |
−7.269 |
18.356 |
1.00 |
9.06 |
A |
ATOM |
5248 |
CE3 |
TRP |
A |
39 |
16.865 |
−7.439 |
16.793 |
1.00 |
8.94 |
A |
ATOM |
5249 |
CD1 |
TRP |
A |
39 |
13.687 |
−8.935 |
17.705 |
1.00 |
9.52 |
A |
ATOM |
5250 |
NE1 |
TRP |
A |
39 |
13.842 |
−7.915 |
18.607 |
1.00 |
9.30 |
A |
ATOM |
5251 |
CZ2 |
TRP |
A |
39 |
15.608 |
−6.173 |
19.005 |
1.00 |
8.71 |
A |
ATOM |
5252 |
CZ3 |
TRP |
A |
39 |
17.450 |
−6.345 |
17.442 |
1.00 |
8.93 |
A |
ATOM |
5253 |
CH2 |
TRP |
A |
39 |
16.817 |
−5.729 |
18.536 |
1.00 |
8.40 |
A |
ATOM |
5254 |
C |
TRP |
A |
39 |
16.848 |
−11.032 |
16.960 |
1.00 |
11.66 |
A |
ATOM |
5255 |
O |
TRP |
A |
39 |
17.710 |
−10.382 |
17.547 |
1.00 |
11.72 |
A |
ATOM |
5256 |
N |
PRO |
A |
40 |
16.337 |
−12.156 |
17.487 |
1.00 |
12.01 |
A |
ATOM |
5257 |
CD |
PRO |
A |
40 |
15.261 |
−13.023 |
16.971 |
1.00 |
12.11 |
A |
ATOM |
5258 |
CA |
PRO |
A |
40 |
16.795 |
−12.629 |
18.799 |
1.00 |
12.31 |
A |
ATOM |
5259 |
CB |
PRO |
A |
40 |
16.171 |
−14.016 |
18.894 |
1.00 |
12.32 |
A |
ATOM |
5260 |
CG |
PRO |
A |
40 |
14.862 |
−13.816 |
18.203 |
1.00 |
12.38 |
A |
ATOM |
5261 |
C |
PRO |
A |
40 |
18.308 |
−12.656 |
19.023 |
1.00 |
12.59 |
A |
ATOM |
5262 |
O |
PRO |
A |
40 |
18.799 |
−12.163 |
20.042 |
1.00 |
12.72 |
A |
ATOM |
5263 |
N |
GLU |
A |
41 |
19.053 |
−13.223 |
18.081 |
1.00 |
12.84 |
A |
ATOM |
5264 |
CA |
GLU |
A |
41 |
20.500 |
−13.309 |
18.231 |
1.00 |
13.09 |
A |
ATOM |
5265 |
CB |
GLU |
A |
41 |
21.054 |
−14.364 |
17.270 |
1.00 |
14.07 |
A |
ATOM |
5266 |
CG |
GLU |
A |
41 |
20.459 |
−15.745 |
17.544 |
1.00 |
15.68 |
A |
ATOM |
5267 |
CD |
GLU |
A |
41 |
20.995 |
−16.831 |
16.634 |
1.00 |
16.54 |
A |
ATOM |
5268 |
OE1 |
GLU |
A |
41 |
20.297 |
−17.854 |
16.473 |
1.00 |
17.39 |
A |
ATOM |
5269 |
OE2 |
GLU |
A |
41 |
22.109 |
−16.677 |
16.088 |
1.00 |
17.54 |
A |
ATOM |
5270 |
C |
GLU |
A |
41 |
21.229 |
−11.972 |
18.074 |
1.00 |
12.61 |
A |
ATOM |
5271 |
O |
GLU |
A |
41 |
22.373 |
−11.827 |
18.506 |
1.00 |
12.75 |
A |
ATOM |
5272 |
N |
ILE |
A |
42 |
20.566 |
−10.995 |
17.467 |
1.00 |
11.99 |
A |
ATOM |
5273 |
CA |
ILE |
A |
42 |
21.160 |
−9.673 |
17.307 |
1.00 |
11.37 |
A |
ATOM |
5274 |
CB |
ILE |
A |
42 |
20.596 |
−8.939 |
16.065 |
1.00 |
11.34 |
A |
ATOM |
5275 |
CG2 |
ILE |
A |
42 |
20.978 |
−7.464 |
16.105 |
1.00 |
11.36 |
A |
ATOM |
5276 |
CG1 |
ILE |
A |
42 |
21.128 |
−9.596 |
14.788 |
1.00 |
11.71 |
A |
ATOM |
5277 |
CD1 |
ILE |
A |
42 |
20.546 |
−9.013 |
13.510 |
1.00 |
11.80 |
A |
ATOM |
5278 |
C |
ILE |
A |
42 |
20.819 |
−8.870 |
18.561 |
1.00 |
11.10 |
A |
ATOM |
5279 |
O |
ILE |
A |
42 |
21.665 |
−8.178 |
19.123 |
1.00 |
10.73 |
A |
ATOM |
5280 |
N |
LYS |
A |
43 |
19.571 |
−8.996 |
19.000 |
1.00 |
10.69 |
A |
ATOM |
5281 |
CA |
LYS |
A |
43 |
19.075 |
−8.292 |
20.176 |
1.00 |
11.07 |
A |
ATOM |
5282 |
CB |
LYS |
A |
43 |
17.665 |
−8.788 |
20.506 |
1.00 |
10.56 |
A |
ATOM |
5283 |
CG |
LYS |
A |
43 |
17.027 |
−8.164 |
21.737 |
1.00 |
10.22 |
A |
ATOM |
5284 |
CD |
LYS |
A |
43 |
15.654 |
−8.770 |
21.969 |
1.00 |
10.10 |
A |
ATOM |
5285 |
CE |
LYS |
A |
43 |
14.982 |
−8.200 |
23.204 |
1.00 |
9.67 |
A |
ATOM |
5286 |
NZ |
LYS |
A |
43 |
14.601 |
−6.767 |
23.037 |
1.00 |
9.62 |
A |
ATOM |
5287 |
C |
LYS |
A |
43 |
19.986 |
−8.462 |
21.391 |
1.00 |
11.41 |
A |
ATOM |
5288 |
O |
LYS |
A |
43 |
20.292 |
−7.495 |
22.089 |
1.00 |
11.31 |
A |
ATOM |
5328 |
N |
GLY |
A |
49 |
18.949 |
−3.542 |
23.669 |
1.00 |
8.96 |
A |
ATOM |
5329 |
CA |
GLY |
A |
49 |
18.093 |
−4.495 |
22.982 |
1.00 |
8.21 |
A |
ATOM |
5330 |
C |
GLY |
A |
49 |
16.991 |
−3.983 |
22.078 |
1.00 |
7.54 |
A |
ATOM |
5331 |
O |
GLY |
A |
49 |
15.959 |
−4.642 |
21.937 |
1.00 |
7.64 |
A |
ATOM |
5332 |
N |
LYS |
A |
50 |
17.203 |
−2.832 |
21.444 |
1.00 |
6.95 |
A |
ATOM |
5333 |
CA |
LYS |
A |
50 |
16.197 |
−2.263 |
20.554 |
1.00 |
6.45 |
A |
ATOM |
5334 |
CB |
LYS |
A |
50 |
15.528 |
−1.042 |
21.199 |
1.00 |
7.37 |
A |
ATOM |
5335 |
CG |
LYS |
A |
50 |
14.831 |
−1.283 |
22.528 |
1.00 |
9.43 |
A |
ATOM |
5336 |
CD |
LYS |
A |
50 |
13.634 |
−2.197 |
22.385 |
1.00 |
10.69 |
A |
ATOM |
5337 |
CE |
LYS |
A |
50 |
12.660 |
−2.004 |
23.550 |
1.00 |
11.86 |
A |
ATOM |
5338 |
NZ |
LYS |
A |
50 |
13.354 |
−1.838 |
24.858 |
1.00 |
12.34 |
A |
ATOM |
5339 |
C |
LYS |
A |
50 |
16.803 |
−1.810 |
19.233 |
1.00 |
5.62 |
A |
ATOM |
5340 |
O |
LYS |
A |
50 |
17.999 |
−1.515 |
19.152 |
1.00 |
4.99 |
A |
ATOM |
5341 |
N |
ILE |
A |
51 |
15.968 |
−1.766 |
18.198 |
1.00 |
4.81 |
A |
ATOM |
5342 |
CA |
ILE |
A |
51 |
16.386 |
−1.277 |
16.892 |
1.00 |
4.23 |
A |
ATOM |
5343 |
CB |
ILE |
A |
51 |
16.427 |
−2.400 |
15.821 |
1.00 |
4.50 |
A |
ATOM |
5344 |
CG2 |
ILE |
A |
51 |
17.736 |
−3.173 |
15.951 |
1.00 |
4.04 |
A |
ATOM |
5345 |
CG1 |
ILE |
A |
51 |
15.214 |
−3.320 |
15.954 |
1.00 |
4.67 |
A |
ATOM |
5346 |
CD1 |
ILE |
A |
51 |
15.125 |
−4.353 |
14.851 |
1.00 |
5.01 |
A |
ATOM |
5347 |
C |
ILE |
A |
51 |
15.403 |
−0.173 |
16.503 |
1.00 |
3.91 |
A |
ATOM |
5348 |
O |
ILE |
A |
51 |
14.295 |
−0.096 |
17.037 |
1.00 |
3.85 |
A |
ATOM |
5349 |
N |
PRO |
A |
52 |
15.769 |
0.677 |
15.540 |
1.00 |
3.47 |
A |
ATOM |
5350 |
CD |
PRO |
A |
52 |
14.929 |
1.849 |
15.221 |
1.00 |
3.53 |
A |
ATOM |
5351 |
CA |
PRO |
A |
52 |
17.011 |
0.704 |
14.767 |
1.00 |
3.15 |
A |
ATOM |
5352 |
CB |
PRO |
A |
52 |
16.712 |
1.735 |
13.687 |
1.00 |
3.26 |
A |
ATOM |
5353 |
CG |
PRO |
A |
52 |
15.878 |
2.741 |
14.442 |
1.00 |
3.38 |
A |
ATOM |
5354 |
C |
PRO |
A |
52 |
18.294 |
1.063 |
15.490 |
1.00 |
3.11 |
A |
ATOM |
5355 |
O |
PRO |
A |
52 |
18.288 |
1.690 |
16.547 |
1.00 |
3.03 |
A |
ATOM |
5356 |
N |
ILE |
A |
53 |
19.394 |
0.632 |
14.887 |
1.00 |
3.27 |
A |
ATOM |
5357 |
CA |
ILE |
A |
53 |
20.723 |
0.974 |
15.351 |
1.00 |
3.18 |
A |
ATOM |
5358 |
CB |
ILE |
A |
53 |
21.495 |
−0.199 |
16.021 |
1.00 |
3.72 |
A |
ATOM |
5359 |
CG2 |
ILE |
A |
53 |
20.858 |
−0.553 |
17.356 |
1.00 |
4.09 |
A |
ATOM |
5360 |
CG1 |
ILE |
A |
53 |
21.596 |
−1.386 |
15.064 |
1.00 |
4.16 |
A |
ATOM |
5361 |
CD1 |
ILE |
A |
53 |
22.466 |
−2.510 |
15.594 |
1.00 |
5.20 |
A |
ATOM |
5362 |
C |
ILE |
A |
53 |
21.453 |
1.369 |
14.074 |
1.00 |
3.15 |
A |
ATOM |
5363 |
O |
ILE |
A |
53 |
21.090 |
0.928 |
12.978 |
1.00 |
2.64 |
A |
ATOM |
5423 |
N |
HIS |
A |
62 |
22.206 |
4.210 |
18.799 |
1.00 |
3.50 |
A |
ATOM |
5424 |
CA |
HIS |
A |
62 |
20.835 |
3.722 |
18.927 |
1.00 |
2.95 |
A |
ATOM |
5425 |
CB |
HIS |
A |
62 |
20.705 |
2.722 |
20.090 |
1.00 |
3.26 |
A |
ATOM |
5426 |
CG |
HIS |
A |
62 |
20.931 |
3.318 |
21.445 |
1.00 |
3.82 |
A |
ATOM |
5427 |
CD2 |
HIS |
A |
62 |
22.047 |
3.813 |
22.031 |
1.00 |
3.92 |
A |
ATOM |
5428 |
ND1 |
HIS |
A |
62 |
19.923 |
3.438 |
22.376 |
1.00 |
4.07 |
A |
ATOM |
5429 |
CE1 |
HIS |
A |
62 |
20.406 |
3.984 |
23.478 |
1.00 |
3.93 |
A |
ATOM |
5430 |
NE2 |
HIS |
A |
62 |
21.692 |
4.222 |
23.295 |
1.00 |
4.38 |
A |
ATOM |
5431 |
C |
HIS |
A |
62 |
19.890 |
4.910 |
19.100 |
1.00 |
2.81 |
A |
ATOM |
5432 |
O |
HIS |
A |
62 |
20.342 |
6.050 |
19.215 |
1.00 |
2.85 |
A |
ATOM |
5433 |
N |
GLN |
A |
63 |
18.586 |
4.624 |
19.094 |
1.00 |
2.56 |
A |
ATOM |
5434 |
CA |
GLN |
A |
63 |
17.501 |
5.612 |
19.201 |
1.00 |
2.38 |
A |
ATOM |
5435 |
CB |
GLN |
A |
63 |
17.730 |
6.586 |
20.366 |
1.00 |
2.32 |
A |
ATOM |
5436 |
CG |
GLN |
A |
63 |
17.350 |
6.000 |
21.730 |
1.00 |
2.96 |
A |
ATOM |
5437 |
CD |
GLN |
A |
63 |
15.851 |
5.823 |
21.898 |
1.00 |
3.14 |
A |
ATOM |
5438 |
OE1 |
GLN |
A |
63 |
15.063 |
6.295 |
21.081 |
1.00 |
3.72 |
A |
ATOM |
5439 |
NE2 |
GLN |
A |
63 |
15.449 |
5.151 |
22.971 |
1.00 |
3.70 |
A |
ATOM |
5440 |
C |
GLN |
A |
63 |
17.348 |
6.359 |
17.878 |
1.00 |
2.37 |
A |
ATOM |
5441 |
O |
GLN |
A |
63 |
18.164 |
7.212 |
17.516 |
1.00 |
2.00 |
A |
ATOM |
5442 |
N |
SER |
A |
64 |
16.279 |
6.028 |
17.160 |
1.00 |
2.43 |
A |
ATOM |
5443 |
CA |
SER |
A |
64 |
16.037 |
6.600 |
15.841 |
1.00 |
2.49 |
A |
ATOM |
5444 |
CB |
SER |
A |
64 |
14.678 |
6.132 |
15.296 |
1.00 |
2.81 |
A |
ATOM |
5445 |
OG |
SER |
A |
64 |
13.591 |
6.666 |
16.036 |
1.00 |
3.28 |
A |
ATOM |
5446 |
C |
SER |
A |
64 |
16.138 |
8.113 |
15.705 |
1.00 |
2.23 |
A |
ATOM |
5447 |
O |
SER |
A |
64 |
16.742 |
8.603 |
14.750 |
1.00 |
2.28 |
A |
ATOM |
5448 |
N |
LEU |
A |
65 |
15.553 |
8.854 |
16.639 |
1.00 |
2.47 |
A |
ATOM |
5449 |
CA |
LEU |
A |
65 |
15.581 |
10.307 |
16.548 |
1.00 |
2.69 |
A |
ATOM |
5450 |
CB |
LEU |
A |
65 |
14.465 |
10.899 |
17.409 |
1.00 |
3.06 |
A |
ATOM |
5451 |
CG |
LEU |
A |
65 |
13.100 |
10.321 |
17.010 |
1.00 |
3.16 |
A |
ATOM |
5452 |
CD1 |
LEU |
A |
65 |
11.993 |
10.980 |
17.835 |
1.00 |
4.12 |
A |
ATOM |
5453 |
CD2 |
LEU |
A |
65 |
12.854 |
10.538 |
15.522 |
1.00 |
3.74 |
A |
ATOM |
5454 |
C |
LEU |
A |
65 |
16.935 |
10.886 |
16.925 |
1.00 |
2.92 |
A |
ATOM |
5455 |
O |
LEU |
A |
65 |
17.330 |
11.935 |
16.411 |
1.00 |
3.32 |
A |
ATOM |
5662 |
N |
ASP |
A |
93 |
9.345 |
15.416 |
18.542 |
1.00 |
3.67 |
A |
ATOM |
5663 |
CA |
ASP |
A |
93 |
8.972 |
14.730 |
19.781 |
1.00 |
3.91 |
A |
ATOM |
5664 |
CB |
ASP |
A |
93 |
9.654 |
15.361 |
20.997 |
1.00 |
5.09 |
A |
ATOM |
5665 |
CG |
ASP |
A |
93 |
11.041 |
14.797 |
21.243 |
1.00 |
6.18 |
A |
ATOM |
5666 |
OD1 |
ASP |
A |
93 |
11.674 |
15.203 |
22.246 |
1.00 |
7.93 |
A |
ATOM |
5667 |
OD2 |
ASP |
A |
93 |
11.495 |
13.945 |
20.442 |
1.00 |
7.01 |
A |
ATOM |
5668 |
C |
ASP |
A |
93 |
7.462 |
14.714 |
19.985 |
1.00 |
3.61 |
A |
ATOM |
5669 |
O |
ASP |
A |
93 |
6.926 |
13.766 |
20.539 |
1.00 |
3.01 |
A |
ATOM |
5670 |
N |
THR |
A |
94 |
6.776 |
15.762 |
19.540 |
1.00 |
3.46 |
A |
ATOM |
5671 |
CA |
THR |
A |
94 |
5.325 |
15.808 |
19.676 |
1.00 |
3.57 |
A |
ATOM |
5672 |
CB |
THR |
A |
94 |
4.792 |
17.195 |
19.258 |
1.00 |
3.73 |
A |
ATOM |
5673 |
OG1 |
THR |
A |
94 |
5.167 |
18.152 |
20.257 |
1.00 |
4.06 |
A |
ATOM |
5674 |
CG2 |
THR |
A |
94 |
3.273 |
17.186 |
19.101 |
1.00 |
3.88 |
A |
ATOM |
5675 |
C |
THR |
A |
94 |
4.721 |
14.702 |
18.811 |
1.00 |
3.74 |
A |
ATOM |
5676 |
O |
THR |
A |
94 |
3.789 |
14.001 |
19.223 |
1.00 |
3.84 |
A |
ATOM |
5677 |
N |
LEU |
A |
95 |
5.268 |
14.520 |
17.618 |
1.00 |
3.30 |
A |
ATOM |
5678 |
CA |
LEU |
A |
95 |
4.766 |
13.475 |
16.740 |
1.00 |
3.42 |
A |
ATOM |
5679 |
CB |
LEU |
A |
95 |
5.377 |
13.609 |
15.346 |
1.00 |
3.94 |
A |
ATOM |
5680 |
CG |
LEU |
A |
95 |
4.919 |
14.812 |
14.518 |
1.00 |
4.38 |
A |
ATOM |
5681 |
CD1 |
LEU |
A |
95 |
5.763 |
14.924 |
13.245 |
1.00 |
4.83 |
A |
ATOM |
5682 |
CD2 |
LEU |
A |
95 |
3.444 |
14.650 |
14.184 |
1.00 |
5.05 |
A |
ATOM |
5683 |
C |
LEU |
A |
95 |
5.117 |
12.113 |
17.323 |
1.00 |
3.25 |
A |
ATOM |
5684 |
O |
LEU |
A |
95 |
4.275 |
11.217 |
17.397 |
1.00 |
3.09 |
A |
ATOM |
5685 |
N |
ASP |
A |
96 |
6.364 |
11.960 |
17.756 |
1.00 |
3.25 |
A |
ATOM |
5686 |
CA |
ASP |
A |
96 |
6.796 |
10.687 |
18.305 |
1.00 |
3.69 |
A |
ATOM |
5687 |
CB |
ASP |
A |
96 |
8.301 |
10.702 |
18.585 |
1.00 |
4.27 |
A |
ATOM |
5688 |
CG |
ASP |
A |
96 |
8.891 |
9.305 |
18.644 |
1.00 |
4.99 |
A |
ATOM |
5689 |
OD1 |
ASP |
A |
96 |
8.774 |
8.574 |
17.637 |
1.00 |
6.02 |
A |
ATOM |
5690 |
OD2 |
ASP |
A |
96 |
9.478 |
8.933 |
19.684 |
1.00 |
6.06 |
A |
ATOM |
5691 |
C |
ASP |
A |
96 |
6.038 |
10.316 |
19.573 |
1.00 |
3.81 |
A |
ATOM |
5692 |
O |
ASP |
A |
96 |
5.791 |
9.137 |
19.819 |
1.00 |
3.60 |
A |
ATOM |
5693 |
N |
ASP |
A |
97 |
5.677 |
11.315 |
20.377 |
1.00 |
3.85 |
A |
ATOM |
5694 |
CA |
ASP |
A |
97 |
4.924 |
11.062 |
21.608 |
1.00 |
4.32 |
A |
ATOM |
5695 |
CB |
ASP |
A |
97 |
4.600 |
12.377 |
22.332 |
1.00 |
5.15 |
A |
ATOM |
5696 |
CG |
ASP |
A |
97 |
5.754 |
12.898 |
23.172 |
1.00 |
5.96 |
A |
ATOM |
5697 |
OD1 |
ASP |
A |
97 |
5.657 |
14.053 |
23.647 |
1.00 |
6.78 |
A |
ATOM |
5698 |
OD2 |
ASP |
A |
97 |
6.748 |
12.163 |
23.377 |
1.00 |
6.61 |
A |
ATOM |
5699 |
C |
ASP |
A |
97 |
3.614 |
10.355 |
21.261 |
1.00 |
4.57 |
A |
ATOM |
5700 |
O |
ASP |
A |
97 |
3.214 |
9.403 |
21.931 |
1.00 |
4.45 |
A |
ATOM |
5701 |
N |
PHE |
A |
98 |
2.947 |
10.823 |
20.210 |
1.00 |
4.32 |
A |
ATOM |
5702 |
CA |
PHE |
A |
98 |
1.680 |
10.219 |
19.809 |
1.00 |
4.70 |
A |
ATOM |
5703 |
CB |
PHE |
A |
98 |
0.956 |
11.086 |
18.778 |
1.00 |
5.18 |
A |
ATOM |
5704 |
CG |
PHE |
A |
98 |
−0.415 |
10.574 |
18.423 |
1.00 |
5.70 |
A |
ATOM |
5705 |
CD1 |
PHE |
A |
98 |
−1.420 |
10.518 |
19.385 |
1.00 |
6.58 |
A |
ATOM |
5706 |
CD2 |
PHE |
A |
98 |
−0.690 |
10.107 |
17.144 |
1.00 |
6.14 |
A |
ATOM |
5707 |
CE1 |
PHE |
A |
98 |
−2.681 |
10.001 |
19.077 |
1.00 |
6.93 |
A |
ATOM |
5708 |
CE2 |
PHE |
A |
98 |
−1.950 |
9.587 |
16.825 |
1.00 |
6.50 |
A |
ATOM |
5709 |
CZ |
PHE |
A |
98 |
−2.945 |
9.534 |
17.798 |
1.00 |
6.64 |
A |
ATOM |
5710 |
C |
PHE |
A |
98 |
1.876 |
8.825 |
19.232 |
1.00 |
4.66 |
A |
ATOM |
5711 |
O |
PHE |
A |
98 |
1.147 |
7.896 |
19.574 |
1.00 |
4.59 |
A |
ATOM |
5712 |
N |
MET |
A |
99 |
2.857 |
8.678 |
18.352 |
1.00 |
4.84 |
A |
ATOM |
5713 |
CA |
MET |
A |
99 |
3.117 |
7.377 |
17.749 |
1.00 |
5.40 |
A |
ATOM |
5714 |
CB |
MET |
A |
99 |
4.299 |
7.464 |
16.777 |
1.00 |
5.46 |
A |
ATOM |
5715 |
CG |
MET |
A |
99 |
4.123 |
8.469 |
15.638 |
1.00 |
5.83 |
A |
ATOM |
5716 |
SD |
MET |
A |
99 |
2.682 |
8.141 |
14.594 |
1.00 |
6.06 |
A |
ATOM |
5717 |
CE |
MET |
A |
99 |
3.312 |
6.790 |
13.572 |
1.00 |
6.22 |
A |
ATOM |
5718 |
C |
MET |
A |
99 |
3.420 |
6.339 |
18.832 |
1.00 |
6.00 |
A |
ATOM |
5719 |
O |
MET |
A |
99 |
2.994 |
5.188 |
18.739 |
1.00 |
6.05 |
A |
ATOM |
5720 |
N |
SER |
A |
100 |
4.143 |
6.759 |
19.866 |
1.00 |
6.83 |
A |
ATOM |
5721 |
CA |
SER |
A |
100 |
4.523 |
5.860 |
20.951 |
1.00 |
8.20 |
A |
ATOM |
5722 |
CB |
SER |
A |
100 |
5.628 |
6.516 |
21.790 |
1.00 |
7.84 |
A |
ATOM |
5723 |
OG |
SER |
A |
100 |
6.767 |
6.802 |
20.987 |
1.00 |
8.21 |
A |
ATOM |
5724 |
C |
SER |
A |
100 |
3.367 |
5.412 |
21.854 |
1.00 |
9.33 |
A |
ATOM |
5725 |
O |
SER |
A |
100 |
3.524 |
4.476 |
22.646 |
1.00 |
9.63 |
A |
ATOM |
5726 |
N |
CYS |
A |
101 |
2.211 |
6.062 |
21.721 |
1.00 |
10.45 |
A |
ATOM |
5727 |
CA |
CYS |
A |
101 |
1.029 |
5.738 |
22.528 |
1.00 |
12.16 |
A |
ATOM |
5728 |
CB |
CYS |
A |
101 |
−0.005 |
6.870 |
22.455 |
1.00 |
12.99 |
A |
ATOM |
5729 |
SG |
CYS |
A |
101 |
0.391 |
8.383 |
23.352 |
1.00 |
16.33 |
A |
ATOM |
5730 |
C |
CYS |
A |
101 |
0.334 |
4.450 |
22.106 |
1.00 |
12.31 |
A |
ATOM |
5731 |
O |
CYS |
A |
101 |
−0.382 |
3.836 |
22.900 |
1.00 |
12.62 |
A |
ATOM |
5732 |
N |
PHE |
A |
102 |
0.526 |
4.044 |
20.857 |
1.00 |
12.65 |
A |
ATOM |
5733 |
CA |
PHE |
A |
102 |
−0.137 |
2.843 |
20.368 |
1.00 |
13.00 |
A |
ATOM |
5734 |
CB |
PHE |
A |
102 |
−0.054 |
2.787 |
18.844 |
1.00 |
12.20 |
A |
ATOM |
5735 |
CG |
PHE |
A |
102 |
−0.888 |
3.838 |
18.165 |
1.00 |
11.64 |
A |
ATOM |
5736 |
CD1 |
PHE |
A |
102 |
−0.514 |
5.179 |
18.211 |
1.00 |
11.24 |
A |
ATOM |
5737 |
CD2 |
PHE |
A |
102 |
−2.065 |
3.493 |
17.507 |
1.00 |
11.38 |
A |
ATOM |
5738 |
CE1 |
PHE |
A |
102 |
−1.297 |
6.164 |
17.610 |
1.00 |
11.11 |
A |
ATOM |
5739 |
CE2 |
PHE |
A |
102 |
−2.858 |
4.468 |
16.902 |
1.00 |
11.06 |
A |
ATOM |
5740 |
CZ |
PHE |
A |
102 |
−2.474 |
5.809 |
16.953 |
1.00 |
10.93 |
A |
ATOM |
5741 |
C |
PHE |
A |
102 |
0.382 |
1.557 |
20.998 |
1.00 |
13.83 |
A |
ATOM |
5742 |
O |
PHE |
A |
102 |
1.580 |
1.275 |
20.975 |
1.00 |
13.59 |
A |
ATOM |
5743 |
N |
PRO |
A |
103 |
−0.537 |
0.762 |
21.579 |
1.00 |
14.74 |
A |
ATOM |
5744 |
CD |
PRO |
A |
103 |
−1.976 |
1.093 |
21.609 |
1.00 |
14.92 |
A |
ATOM |
5745 |
CA |
PRO |
A |
103 |
−0.297 |
−0.516 |
22.259 |
1.00 |
15.72 |
A |
ATOM |
5746 |
CB |
PRO |
A |
103 |
−1.578 |
−0.707 |
23.061 |
1.00 |
15.57 |
A |
ATOM |
5747 |
CG |
PRO |
A |
103 |
−2.608 |
−0.199 |
22.114 |
1.00 |
15.22 |
A |
ATOM |
5748 |
C |
PRO |
A |
103 |
−0.008 |
−1.711 |
21.354 |
1.00 |
16.75 |
A |
ATOM |
5749 |
O |
PRO |
A |
103 |
−0.814 |
−2.639 |
21.265 |
1.00 |
16.71 |
A |
ATOM |
5750 |
N |
TRP |
A |
104 |
1.146 |
−1.693 |
20.697 |
1.00 |
17.88 |
A |
ATOM |
5751 |
CA |
TRP |
A |
104 |
1.527 |
−2.786 |
19.812 |
1.00 |
19.32 |
A |
ATOM |
5752 |
CB |
TRP |
A |
104 |
2.792 |
−2.423 |
19.032 |
1.00 |
18.89 |
A |
ATOM |
5753 |
CG |
TRP |
A |
104 |
2.548 |
−1.458 |
17.925 |
1.00 |
18.58 |
A |
ATOM |
5754 |
CD2 |
TRP |
A |
104 |
2.010 |
−1.762 |
16.635 |
1.00 |
18.48 |
A |
ATOM |
5755 |
CE2 |
TRP |
A |
104 |
1.931 |
−0.548 |
15.918 |
1.00 |
18.52 |
A |
ATOM |
5756 |
CE3 |
TRP |
A |
104 |
1.584 |
−2.944 |
16.015 |
1.00 |
18.55 |
A |
ATOM |
5757 |
CD1 |
TRP |
A |
104 |
2.767 |
−0.110 |
17.942 |
1.00 |
18.43 |
A |
ATOM |
5758 |
NE1 |
TRP |
A |
104 |
2.400 |
0.444 |
16.739 |
1.00 |
18.43 |
A |
ATOM |
5759 |
CZ2 |
TRP |
A |
104 |
1.443 |
−0.481 |
14.610 |
1.00 |
18.51 |
A |
ATOM |
5760 |
CZ3 |
TRP |
A |
104 |
1.099 |
−2.877 |
14.712 |
1.00 |
18.61 |
A |
ATOM |
5761 |
CH2 |
TRP |
A |
104 |
1.033 |
−1.651 |
14.026 |
1.00 |
18.57 |
A |
ATOM |
5762 |
C |
TRP |
A |
104 |
1.756 |
−4.094 |
20.562 |
1.00 |
20.48 |
A |
ATOM |
5763 |
O |
TRP |
A |
104 |
1.734 |
−5.170 |
19.964 |
1.00 |
20.69 |
A |
ATOM |
5764 |
N |
ALA |
A |
105 |
1.965 |
−4.000 |
21.870 |
1.00 |
21.92 |
A |
ATOM |
5765 |
CA |
ALA |
A |
105 |
2.214 |
−5.182 |
22.688 |
1.00 |
23.42 |
A |
ATOM |
5766 |
CB |
ALA |
A |
105 |
3.036 |
−4.796 |
23.914 |
1.00 |
23.28 |
A |
ATOM |
5767 |
C |
ALA |
A |
105 |
0.943 |
−5.910 |
23.120 |
1.00 |
24.45 |
A |
ATOM |
5768 |
O |
ALA |
A |
105 |
1.013 |
−6.976 |
23.732 |
1.00 |
24.65 |
A |
ATOM |
5769 |
N |
GLU |
A |
106 |
−0.217 |
−5.342 |
22.802 |
1.00 |
25.65 |
A |
ATOM |
5770 |
CA |
GLU |
A |
106 |
−1.485 |
−5.962 |
23.174 |
1.00 |
26.85 |
A |
ATOM |
5771 |
CB |
GLU |
A |
106 |
−2.660 |
−5.132 |
22.655 |
1.00 |
27.04 |
A |
ATOM |
5772 |
CG |
GLU |
A |
106 |
−4.013 |
−5.813 |
22.819 |
1.00 |
27.53 |
A |
ATOM |
5773 |
CD |
GLU |
A |
106 |
−4.291 |
−6.224 |
24.252 |
1.00 |
27.76 |
A |
ATOM |
5774 |
OE1 |
GLU |
A |
106 |
−4.226 |
−5.354 |
25.146 |
1.00 |
27.91 |
A |
ATOM |
5775 |
OE2 |
GLU |
A |
106 |
−4.580 |
−7.417 |
24.484 |
1.00 |
28.01 |
A |
ATOM |
5776 |
C |
GLU |
A |
106 |
−1.599 |
−7.391 |
22.649 |
1.00 |
27.52 |
A |
ATOM |
5777 |
O |
GLU |
A |
106 |
−1.223 |
−7.680 |
21.512 |
1.00 |
27.83 |
A |
ATOM |
5778 |
N |
LYS |
A |
107 |
−2.130 |
−8.275 |
23.487 |
1.00 |
28.30 |
A |
ATOM |
5779 |
CA |
LYS |
A |
107 |
−2.300 |
−9.682 |
23.139 |
1.00 |
28.87 |
A |
ATOM |
5780 |
CB |
LYS |
A |
107 |
−2.444 |
−10.514 |
24.414 |
1.00 |
29.16 |
A |
ATOM |
5781 |
CG |
LYS |
A |
107 |
−1.271 |
−10.395 |
25.373 |
1.00 |
29.57 |
A |
ATOM |
5782 |
CD |
LYS |
A |
107 |
0.009 |
−10.925 |
24.750 |
1.00 |
29.90 |
A |
ATOM |
5783 |
CE |
LYS |
A |
107 |
1.156 |
−10.889 |
25.748 |
1.00 |
30.13 |
A |
ATOM |
5784 |
NZ |
LYS |
A |
107 |
0.857 |
−11.708 |
26.956 |
1.00 |
30.43 |
A |
ATOM |
5785 |
C |
LYS |
A |
107 |
−3.509 |
−9.927 |
22.241 |
1.00 |
29.12 |
A |
ATOM |
5786 |
O |
LYS |
A |
107 |
−3.376 |
−10.446 |
21.132 |
1.00 |
29.28 |
A |
ATOM |
5787 |
N |
LYS |
A |
108 |
−4.689 |
−9.560 |
22.729 |
1.00 |
29.38 |
A |
ATOM |
5788 |
CA |
LYS |
A |
108 |
−5.921 |
−9.745 |
21.972 |
1.00 |
29.63 |
A |
ATOM |
5789 |
CB |
LYS |
A |
108 |
−7.134 |
−9.496 |
22.872 |
1.00 |
30.00 |
A |
ATOM |
5790 |
CG |
LYS |
A |
108 |
−7.169 |
−10.367 |
24.123 |
1.00 |
30.56 |
A |
ATOM |
5791 |
CD |
LYS |
A |
108 |
−8.456 |
−10.178 |
24.922 |
1.00 |
30.98 |
A |
ATOM |
5792 |
CE |
LYS |
A |
108 |
−9.673 |
−10.768 |
24.211 |
1.00 |
31.33 |
A |
ATOM |
5793 |
NZ |
LYS |
A |
108 |
−9.995 |
−10.085 |
22.924 |
1.00 |
31.67 |
A |
ATOM |
5794 |
C |
LYS |
A |
108 |
−5.969 |
−8.806 |
20.773 |
1.00 |
29.56 |
A |
ATOM |
5795 |
O |
LYS |
A |
108 |
−6.053 |
−7.588 |
20.929 |
1.00 |
29.53 |
A |
ATOM |
5796 |
N |
GLN |
A |
109 |
−5.912 |
−9.380 |
19.575 |
1.00 |
29.46 |
A |
ATOM |
5797 |
CA |
GLN |
A |
109 |
−5.950 |
−8.594 |
18.348 |
1.00 |
29.31 |
A |
ATOM |
5798 |
CB |
GLN |
A |
109 |
−5.908 |
−9.519 |
17.130 |
1.00 |
29.60 |
A |
ATOM |
5799 |
CG |
GLN |
A |
109 |
−5.886 |
−8.795 |
15.788 |
1.00 |
30.07 |
A |
ATOM |
5800 |
CD |
GLN |
A |
109 |
−4.671 |
−7.898 |
15.624 |
1.00 |
30.20 |
A |
ATOM |
5801 |
OE1 |
GLN |
A |
109 |
−3.531 |
−8.347 |
15.745 |
1.00 |
30.51 |
A |
ATOM |
5802 |
NE2 |
GLN |
A |
109 |
−4.911 |
−6.623 |
15.341 |
1.00 |
30.44 |
A |
ATOM |
5803 |
C |
GLN |
A |
109 |
−7.213 |
−7.740 |
18.306 |
1.00 |
29.07 |
A |
ATOM |
5804 |
O |
GLN |
A |
109 |
−7.197 |
−6.614 |
17.808 |
1.00 |
29.12 |
A |
ATOM |
5805 |
N |
ASP |
A |
110 |
−8.304 |
−8.281 |
18.838 |
1.00 |
28.67 |
A |
ATOM |
5806 |
CA |
ASP |
A |
110 |
−9.582 |
−7.576 |
18.871 |
1.00 |
28.20 |
A |
ATOM |
5807 |
CB |
ASP |
A |
110 |
−10.662 |
−8.464 |
19.494 |
1.00 |
28.84 |
A |
ATOM |
5808 |
CG |
ASP |
A |
110 |
−10.698 |
−9.855 |
18.892 |
1.00 |
29.35 |
A |
ATOM |
5809 |
OD1 |
ASP |
A |
110 |
−11.510 |
−10.681 |
19.362 |
1.00 |
29.82 |
A |
ATOM |
5810 |
OD2 |
ASP |
A |
110 |
−9.918 |
−10.126 |
17.954 |
1.00 |
29.79 |
A |
ATOM |
5811 |
C |
ASP |
A |
110 |
−9.450 |
−6.303 |
19.700 |
1.00 |
27.49 |
A |
ATOM |
5812 |
O |
ASP |
A |
110 |
−9.794 |
−5.210 |
19.248 |
1.00 |
27.41 |
A |
ATOM |
5813 |
N |
VAL |
A |
111 |
−8.952 |
−6.466 |
20.921 |
1.00 |
26.54 |
A |
ATOM |
5814 |
CA |
VAL |
A |
111 |
−8.765 |
−5.352 |
21.844 |
1.00 |
25.62 |
A |
ATOM |
5815 |
CB |
VAL |
A |
111 |
−8.261 |
−5.852 |
23.214 |
1.00 |
25.70 |
A |
ATOM |
5816 |
CG1 |
VAL |
A |
111 |
−8.118 |
−4.687 |
24.176 |
1.00 |
25.75 |
A |
ATOM |
5817 |
CG2 |
VAL |
A |
111 |
−9.220 |
−6.892 |
23.769 |
1.00 |
25.72 |
A |
ATOM |
5818 |
C |
VAL |
A |
111 |
−7.751 |
−4.361 |
21.288 |
1.00 |
24.87 |
A |
ATOM |
5819 |
O |
VAL |
A |
111 |
−7.890 |
−3.150 |
21.457 |
1.00 |
24.76 |
A |
ATOM |
5820 |
N |
LYS |
A |
112 |
−6.733 |
−4.893 |
20.623 |
1.00 |
23.93 |
A |
ATOM |
5821 |
CA |
LYS |
A |
112 |
−5.679 |
−4.082 |
20.034 |
1.00 |
22.97 |
A |
ATOM |
5822 |
CB |
LYS |
A |
112 |
−4.645 |
−4.995 |
19.376 |
1.00 |
23.32 |
A |
ATOM |
5823 |
CG |
LYS |
A |
112 |
−3.397 |
−4.302 |
18.873 |
1.00 |
23.86 |
A |
ATOM |
5824 |
CD |
LYS |
A |
112 |
−2.432 |
−5.333 |
18.305 |
1.00 |
24.32 |
A |
ATOM |
5825 |
CE |
LYS |
A |
112 |
−1.157 |
−4.697 |
17.788 |
1.00 |
24.73 |
A |
ATOM |
5826 |
NZ |
LYS |
A |
112 |
−0.215 |
−5.733 |
17.271 |
1.00 |
25.05 |
A |
ATOM |
5827 |
C |
LYS |
A |
112 |
−6.259 |
−3.114 |
19.007 |
1.00 |
22.11 |
A |
ATOM |
5828 |
O |
LYS |
A |
112 |
−5.962 |
−1.920 |
19.031 |
1.00 |
21.79 |
A |
ATOM |
5829 |
N |
GLU |
A |
113 |
−7.092 |
−3.636 |
18.111 |
1.00 |
21.14 |
A |
ATOM |
5830 |
CA |
GLU |
A |
113 |
−7.715 |
−2.815 |
17.079 |
1.00 |
20.14 |
A |
ATOM |
5831 |
CB |
GLU |
A |
113 |
−8.529 |
−3.690 |
16.119 |
1.00 |
20.72 |
A |
ATOM |
5832 |
CG |
GLU |
A |
113 |
−7.713 |
−4.763 |
15.412 |
1.00 |
21.85 |
A |
ATOM |
5833 |
CD |
GLU |
A |
113 |
−8.491 |
−5.456 |
14.303 |
1.00 |
22.40 |
A |
ATOM |
5834 |
OE1 |
GLU |
A |
113 |
−7.956 |
−6.422 |
13.717 |
1.00 |
22.88 |
A |
ATOM |
5835 |
OE2 |
GLU |
A |
113 |
−9.632 |
−5.032 |
14.010 |
1.00 |
23.04 |
A |
ATOM |
5836 |
C |
GLU |
A |
113 |
−8.623 |
−1.766 |
17.712 |
1.00 |
19.20 |
A |
ATOM |
5837 |
O |
GLU |
A |
113 |
−8.699 |
−0.632 |
17.240 |
1.00 |
18.59 |
A |
ATOM |
5838 |
N |
GLN |
A |
114 |
−9.313 |
−2.157 |
18.780 |
1.00 |
18.24 |
A |
ATOM |
5839 |
CA |
GLN |
A |
114 |
−10.211 |
−1.252 |
19.492 |
1.00 |
17.58 |
A |
ATOM |
5840 |
CB |
GLN |
A |
114 |
−10.867 |
−1.989 |
20.665 |
1.00 |
18.40 |
A |
ATOM |
5841 |
CG |
GLN |
A |
114 |
−11.701 |
−1.110 |
21.590 |
1.00 |
19.72 |
A |
ATOM |
5842 |
CD |
GLN |
A |
114 |
−12.983 |
−0.617 |
20.951 |
1.00 |
20.35 |
A |
ATOM |
5843 |
OE1 |
GLN |
A |
114 |
−13.741 |
−0.141 |
21.560 |
1.00 |
21.36 |
A |
ATOM |
5844 |
NE2 |
GLN |
A |
114 |
−13.238 |
−1.045 |
19.721 |
1.00 |
21.11 |
A |
ATOM |
5845 |
C |
GLN |
A |
114 |
−9.433 |
−0.044 |
20.011 |
1.00 |
16.47 |
A |
ATOM |
5846 |
O |
GLN |
A |
114 |
−9.841 |
1.101 |
19.822 |
1.00 |
15.90 |
A |
ATOM |
5847 |
N |
MET |
A |
115 |
−8.306 |
−0.308 |
20.664 |
1.00 |
15.39 |
A |
ATOM |
5848 |
CA |
MET |
A |
115 |
−7.469 |
0.754 |
21.215 |
1.00 |
14.42 |
A |
ATOM |
5849 |
CB |
MET |
A |
115 |
−6.325 |
0.146 |
22.022 |
1.00 |
15.54 |
A |
ATOM |
5850 |
CG |
MET |
A |
115 |
−6.800 |
−0.675 |
23.205 |
1.00 |
16.96 |
A |
ATOM |
5851 |
SD |
MET |
A |
115 |
−5.448 |
−1.470 |
24.079 |
1.00 |
18.84 |
A |
ATOM |
5852 |
CE |
MET |
A |
115 |
−5.262 |
−2.923 |
23.139 |
1.00 |
18.77 |
A |
ATOM |
5853 |
C |
MET |
A |
115 |
−6.912 |
1.655 |
20.117 |
1.00 |
13.19 |
A |
ATOM |
5854 |
O |
MET |
A |
115 |
−6.872 |
2.877 |
20.267 |
1.00 |
12.74 |
A |
ATOM |
5855 |
N |
PHE |
A |
116 |
−6.476 |
1.050 |
19.017 |
1.00 |
11.78 |
A |
ATOM |
5856 |
CA |
PHE |
A |
116 |
−5.947 |
1.813 |
17.890 |
1.00 |
10.59 |
A |
ATOM |
5857 |
CB |
PHE |
A |
116 |
−5.490 |
0.870 |
16.773 |
1.00 |
10.36 |
A |
ATOM |
5858 |
CG |
PHE |
A |
116 |
−4.061 |
0.413 |
16.901 |
1.00 |
10.46 |
A |
ATOM |
5859 |
CD1 |
PHE |
A |
116 |
−3.595 |
−0.162 |
18.081 |
1.00 |
10.57 |
A |
ATOM |
5860 |
CD2 |
PHE |
A |
116 |
−3.180 |
0.559 |
15.836 |
1.00 |
10.60 |
A |
ATOM |
5861 |
CE1 |
PHE |
A |
116 |
−2.264 |
−0.584 |
18.196 |
1.00 |
10.91 |
A |
ATOM |
5862 |
CE2 |
PHE |
A |
116 |
−1.850 |
0.140 |
15.940 |
1.00 |
10.80 |
A |
ATOM |
5863 |
CZ |
PHE |
A |
116 |
−1.395 |
−0.431 |
17.123 |
1.00 |
10.66 |
A |
ATOM |
5864 |
C |
PHE |
A |
116 |
−7.028 |
2.746 |
17.352 |
1.00 |
9.91 |
A |
ATOM |
5865 |
O |
PHE |
A |
116 |
−6.784 |
3.926 |
17.107 |
1.00 |
9.44 |
A |
ATOM |
6152 |
N |
TYR |
A |
152 |
9.540 |
13.762 |
9.073 |
1.00 |
2.77 |
A |
ATOM |
6153 |
CA |
TYR |
A |
152 |
8.881 |
12.942 |
10.085 |
1.00 |
2.75 |
A |
ATOM |
6154 |
CB |
TYR |
A |
152 |
9.375 |
13.285 |
11.493 |
1.00 |
2.46 |
A |
ATOM |
6155 |
CG |
TYR |
A |
152 |
9.275 |
12.107 |
12.439 |
1.00 |
2.52 |
A |
ATOM |
6156 |
CD1 |
TYR |
A |
152 |
9.745 |
10.850 |
12.057 |
1.00 |
2.65 |
A |
ATOM |
6157 |
CE1 |
TYR |
A |
152 |
9.704 |
9.767 |
12.931 |
1.00 |
2.76 |
A |
ATOM |
6158 |
CD2 |
TYR |
A |
152 |
8.749 |
12.251 |
13.727 |
1.00 |
2.68 |
A |
ATOM |
6159 |
CE2 |
TYR |
A |
152 |
8.700 |
11.166 |
14.614 |
1.00 |
2.62 |
A |
ATOM |
6160 |
CZ |
TYR |
A |
152 |
9.187 |
9.928 |
14.206 |
1.00 |
2.82 |
A |
ATOM |
6161 |
OH |
TYR |
A |
152 |
9.200 |
8.848 |
15.069 |
1.00 |
3.50 |
A |
ATOM |
6162 |
C |
TYR |
A |
152 |
7.367 |
13.051 |
10.016 |
1.00 |
2.91 |
A |
ATOM |
6163 |
O |
TYR |
A |
152 |
6.660 |
12.070 |
10.255 |
1.00 |
2.96 |
A |
ATOM |
6164 |
N |
TRP |
A |
153 |
6.863 |
14.237 |
9.696 |
1.00 |
3.18 |
A |
ATOM |
6165 |
CA |
TRP |
A |
153 |
5.424 |
14.392 |
9.562 |
1.00 |
3.43 |
A |
ATOM |
6166 |
CB |
TRP |
A |
153 |
5.044 |
15.839 |
9.240 |
1.00 |
3.92 |
A |
ATOM |
6167 |
CG |
TRP |
A |
153 |
3.631 |
15.957 |
8.702 |
1.00 |
4.79 |
A |
ATOM |
6168 |
CD2 |
TRP |
A |
153 |
2.425 |
15.511 |
9.340 |
1.00 |
5.21 |
A |
ATOM |
6169 |
CE2 |
TRP |
A |
153 |
1.359 |
15.767 |
8.446 |
1.00 |
5.55 |
A |
ATOM |
6170 |
CE3 |
TRP |
A |
153 |
2.141 |
14.917 |
10.578 |
1.00 |
5.42 |
A |
ATOM |
6171 |
CD1 |
TRP |
A |
153 |
3.256 |
16.454 |
7.485 |
1.00 |
5.26 |
A |
ATOM |
6172 |
NE1 |
TRP |
A |
153 |
1.894 |
16.341 |
7.324 |
1.00 |
5.61 |
A |
ATOM |
6173 |
CZ2 |
TRP |
A |
153 |
0.029 |
15.449 |
8.749 |
1.00 |
5.49 |
A |
ATOM |
6174 |
CZ3 |
TRP |
A |
153 |
0.812 |
14.599 |
10.880 |
1.00 |
5.68 |
A |
ATOM |
6175 |
CH2 |
TRP |
A |
153 |
−0.223 |
14.868 |
9.967 |
1.00 |
5.61 |
A |
ATOM |
6176 |
C |
TRP |
A |
153 |
4.929 |
13.497 |
8.428 |
1.00 |
3.45 |
A |
ATOM |
6177 |
O |
TRP |
A |
153 |
3.935 |
12.797 |
8.576 |
1.00 |
3.37 |
A |
ATOM |
6178 |
N |
GLU |
A |
154 |
5.618 |
13.518 |
7.291 |
1.00 |
3.56 |
A |
ATOM |
6179 |
CA |
GLU |
A |
154 |
5.176 |
12.711 |
6.162 |
1.00 |
3.71 |
A |
ATOM |
6180 |
CB |
GLU |
A |
154 |
5.999 |
13.035 |
4.908 |
1.00 |
4.32 |
A |
ATOM |
6181 |
CG |
GLU |
A |
154 |
5.412 |
12.438 |
3.622 |
1.00 |
5.29 |
A |
ATOM |
6182 |
CD |
GLU |
A |
154 |
5.831 |
11.001 |
3.395 |
1.00 |
6.03 |
A |
ATOM |
6183 |
OE1 |
GLU |
A |
154 |
5.164 |
10.291 |
2.610 |
1.00 |
7.04 |
A |
ATOM |
6184 |
OE2 |
GLU |
A |
154 |
6.840 |
10.587 |
3.991 |
1.00 |
6.58 |
A |
ATOM |
6185 |
C |
GLU |
A |
154 |
5.242 |
11.218 |
6.467 |
1.00 |
3.29 |
A |
ATOM |
6186 |
O |
GLU |
A |
154 |
4.349 |
10.463 |
6.092 |
1.00 |
3.50 |
A |
ATOM |
6187 |
N |
ILE |
A |
155 |
6.290 |
10.801 |
7.166 |
1.00 |
3.02 |
A |
ATOM |
6188 |
CA |
ILE |
A |
155 |
6.466 |
9.397 |
7.520 |
1.00 |
3.13 |
A |
ATOM |
6189 |
CB |
ILE |
A |
155 |
7.888 |
9.182 |
8.105 |
1.00 |
2.70 |
A |
ATOM |
6190 |
CG2 |
ILE |
A |
155 |
7.991 |
7.836 |
8.827 |
1.00 |
2.70 |
A |
ATOM |
6191 |
CG1 |
ILE |
A |
155 |
8.912 |
9.275 |
6.974 |
1.00 |
2.60 |
A |
ATOM |
6192 |
CD1 |
ILE |
A |
155 |
10.341 |
9.455 |
7.455 |
1.00 |
2.55 |
A |
ATOM |
6193 |
C |
ILE |
A |
155 |
5.393 |
8.931 |
8.509 |
1.00 |
3.34 |
A |
ATOM |
6194 |
O |
ILE |
A |
155 |
4.757 |
7.888 |
8.304 |
1.00 |
3.01 |
A |
ATOM |
6195 |
N |
CYS |
A |
156 |
5.178 |
9.708 |
9.570 |
1.00 |
3.50 |
A |
ATOM |
6196 |
CA |
CYS |
A |
156 |
4.176 |
9.345 |
10.570 |
1.00 |
4.03 |
A |
ATOM |
6197 |
CB |
CYS |
A |
156 |
4.227 |
10.298 |
11.771 |
1.00 |
4.29 |
A |
ATOM |
6198 |
SG |
CYS |
A |
156 |
5.678 |
10.099 |
12.840 |
1.00 |
5.23 |
A |
ATOM |
6199 |
C |
CYS |
A |
156 |
2.767 |
9.339 |
9.989 |
1.00 |
4.27 |
A |
ATOM |
6200 |
O |
CYS |
A |
156 |
2.009 |
8.390 |
10.199 |
1.00 |
4.23 |
A |
ATOM |
6201 |
N |
SER |
A |
157 |
2.419 |
10.391 |
9.254 |
1.00 |
4.32 |
A |
ATOM |
6202 |
CA |
SER |
A |
157 |
1.085 |
10.469 |
8.668 |
1.00 |
4.75 |
A |
ATOM |
6203 |
CB |
SER |
A |
157 |
0.838 |
11.865 |
8.072 |
1.00 |
5.10 |
A |
ATOM |
6204 |
OG |
SER |
A |
157 |
1.761 |
12.194 |
7.047 |
1.00 |
5.43 |
A |
ATOM |
6205 |
C |
SER |
A |
157 |
0.852 |
9.369 |
7.631 |
1.00 |
4.95 |
A |
ATOM |
6206 |
O |
SER |
A |
157 |
−0.264 |
8.874 |
7.487 |
1.00 |
4.57 |
A |
ATOM |
6207 |
N |
THR |
A |
158 |
1.898 |
8.963 |
6.920 |
1.00 |
5.02 |
A |
ATOM |
6208 |
CA |
THR |
A |
158 |
1.731 |
7.901 |
5.937 |
1.00 |
5.46 |
A |
ATOM |
6209 |
CB |
THR |
A |
158 |
3.044 |
7.623 |
5.168 |
1.00 |
5.08 |
A |
ATOM |
6210 |
OG1 |
THR |
A |
158 |
3.223 |
8.638 |
4.175 |
1.00 |
6.03 |
A |
ATOM |
6211 |
CG2 |
THR |
A |
158 |
3.002 |
6.255 |
4.484 |
1.00 |
5.35 |
A |
ATOM |
6212 |
C |
THR |
A |
158 |
1.257 |
6.624 |
6.623 |
1.00 |
5.78 |
A |
ATOM |
6213 |
O |
THR |
A |
158 |
0.330 |
5.963 |
6.153 |
1.00 |
6.22 |
A |
ATOM |
6214 |
N |
THR |
A |
159 |
1.868 |
6.273 |
7.749 |
1.00 |
6.08 |
A |
ATOM |
6215 |
CA |
THR |
A |
159 |
1.439 |
5.056 |
8.416 |
1.00 |
6.86 |
A |
ATOM |
6216 |
CB |
THR |
A |
159 |
2.511 |
4.534 |
9.380 |
1.00 |
7.60 |
A |
ATOM |
6217 |
OG1 |
THR |
A |
159 |
3.698 |
4.230 |
8.633 |
1.00 |
8.88 |
A |
ATOM |
6218 |
CG2 |
THR |
A |
159 |
2.029 |
3.261 |
10.065 |
1.00 |
8.45 |
A |
ATOM |
6219 |
C |
THR |
A |
159 |
0.102 |
5.219 |
9.141 |
1.00 |
6.36 |
A |
ATOM |
6220 |
O |
THR |
A |
159 |
−0.716 |
4.304 |
9.136 |
1.00 |
6.28 |
A |
ATOM |
6221 |
N |
LEU |
A |
160 |
−0.139 |
6.378 |
9.749 |
1.00 |
6.36 |
A |
ATOM |
6222 |
CA |
LEU |
A |
160 |
−1.416 |
6.583 |
10.433 |
1.00 |
6.28 |
A |
ATOM |
6223 |
CB |
LEU |
A |
160 |
−1.442 |
7.938 |
11.145 |
1.00 |
6.43 |
A |
ATOM |
6224 |
CG |
LEU |
A |
160 |
−0.494 |
8.064 |
12.344 |
1.00 |
6.55 |
A |
ATOM |
6225 |
CD1 |
LEU |
A |
160 |
−0.635 |
9.446 |
12.969 |
1.00 |
6.99 |
A |
ATOM |
6226 |
CD2 |
LEU |
A |
160 |
−0.815 |
6.977 |
13.369 |
1.00 |
6.80 |
A |
ATOM |
6227 |
C |
LEU |
A |
160 |
−2.567 |
6.505 |
9.428 |
1.00 |
6.52 |
A |
ATOM |
6228 |
O |
LEU |
A |
160 |
−3.635 |
5.979 |
9.744 |
1.00 |
6.37 |
A |
ATOM |
6229 |
N |
LEU |
A |
161 |
−2.344 |
7.026 |
8.224 |
1.00 |
6.39 |
A |
ATOM |
6230 |
CA |
LEU |
A |
161 |
−3.369 |
7.006 |
7.178 |
1.00 |
6.80 |
A |
ATOM |
6231 |
CB |
LEU |
A |
161 |
−2.881 |
7.764 |
5.941 |
1.00 |
6.77 |
A |
ATOM |
6232 |
CG |
LEU |
A |
161 |
−2.994 |
9.287 |
6.026 |
1.00 |
6.85 |
A |
ATOM |
6233 |
CD1 |
LEU |
A |
161 |
−2.211 |
9.934 |
4.893 |
1.00 |
6.96 |
A |
ATOM |
6234 |
CD2 |
LEU |
A |
161 |
−4.468 |
9.686 |
5.967 |
1.00 |
6.94 |
A |
ATOM |
6235 |
C |
LEU |
A |
161 |
−3.770 |
5.589 |
6.785 |
1.00 |
6.97 |
A |
ATOM |
6236 |
O |
LEU |
A |
161 |
−4.869 |
5.370 |
6.272 |
1.00 |
7.11 |
A |
ATOM |
6237 |
N |
VAL |
A |
162 |
−2.884 |
4.627 |
7.015 |
1.00 |
7.20 |
A |
ATOM |
6238 |
CA |
VAL |
A |
162 |
−3.199 |
3.240 |
6.692 |
1.00 |
7.82 |
A |
ATOM |
6239 |
CB |
VAL |
A |
162 |
−1.963 |
2.317 |
6.867 |
1.00 |
7.65 |
A |
ATOM |
6240 |
CG1 |
VAL |
A |
162 |
−2.372 |
0.853 |
6.720 |
1.00 |
8.05 |
A |
ATOM |
6241 |
CG2 |
VAL |
A |
162 |
−0.905 |
2.673 |
5.830 |
1.00 |
7.94 |
A |
ATOM |
6242 |
C |
VAL |
A |
162 |
−4.308 |
2.760 |
7.620 |
1.00 |
8.18 |
A |
ATOM |
6243 |
O |
VAL |
A |
162 |
−5.197 |
2.014 |
7.205 |
1.00 |
8.53 |
A |
ATOM |
6244 |
N |
PHE |
A |
163 |
−4.257 |
3.204 |
8.875 |
1.00 |
8.35 |
A |
ATOM |
6245 |
CA |
PHE |
A |
163 |
−5.251 |
2.813 |
9.871 |
1.00 |
8.79 |
A |
ATOM |
6246 |
CB |
PHE |
A |
163 |
−4.612 |
2.753 |
11.263 |
1.00 |
9.22 |
A |
ATOM |
6247 |
CG |
PHE |
A |
163 |
−3.511 |
1.746 |
11.376 |
1.00 |
10.12 |
A |
ATOM |
6248 |
CD1 |
PHE |
A |
163 |
−2.201 |
2.083 |
11.058 |
1.00 |
10.55 |
A |
ATOM |
6249 |
CD2 |
PHE |
A |
163 |
−3.792 |
0.440 |
11.773 |
1.00 |
10.59 |
A |
ATOM |
6250 |
CE1 |
PHE |
A |
163 |
−1.186 |
1.129 |
11.135 |
1.00 |
10.94 |
A |
ATOM |
6251 |
CE2 |
PHE |
A |
163 |
−2.787 |
−0.515 |
11.850 |
1.00 |
11.22 |
A |
ATOM |
6252 |
CZ |
PHE |
A |
163 |
−1.481 |
−0.169 |
11.530 |
1.00 |
11.03 |
A |
ATOM |
6253 |
C |
PHE |
A |
163 |
−6.454 |
3.745 |
9.920 |
1.00 |
8.73 |
A |
ATOM |
6254 |
O |
PHE |
A |
163 |
−7.541 |
3.341 |
10.333 |
1.00 |
9.27 |
A |
ATOM |
6528 |
N |
THR |
A |
197 |
6.261 |
−2.354 |
2.065 |
1.00 |
5.54 |
A |
ATOM |
6529 |
CA |
THR |
A |
197 |
5.873 |
−3.026 |
3.294 |
1.00 |
6.03 |
A |
ATOM |
6530 |
CB |
THR |
A |
197 |
7.027 |
−2.988 |
4.330 |
1.00 |
6.06 |
A |
ATOM |
6531 |
OG1 |
THR |
A |
197 |
7.395 |
−1.626 |
4.585 |
1.00 |
6.14 |
A |
ATOM |
6532 |
CG2 |
THR |
A |
197 |
8.251 |
−3.733 |
3.796 |
1.00 |
6.10 |
A |
ATOM |
6533 |
C |
THR |
A |
197 |
4.634 |
−2.343 |
3.865 |
1.00 |
6.45 |
A |
ATOM |
6534 |
O |
THR |
A |
197 |
4.355 |
−1.181 |
3.559 |
1.00 |
6.41 |
A |
ATOM |
6535 |
N |
LYS |
A |
198 |
3.889 |
−3.065 |
4.691 |
1.00 |
7.24 |
A |
ATOM |
6536 |
CA |
LYS |
A |
198 |
2.679 |
−2.512 |
5.272 |
1.00 |
7.84 |
A |
ATOM |
6537 |
CB |
LYS |
A |
198 |
1.929 |
−3.596 |
6.046 |
1.00 |
8.50 |
A |
ATOM |
6538 |
CG |
LYS |
A |
198 |
0.529 |
−3.190 |
6.464 |
1.00 |
9.42 |
A |
ATOM |
6539 |
CD |
LYS |
A |
198 |
−0.346 |
−3.015 |
5.237 |
1.00 |
10.37 |
A |
ATOM |
6540 |
CE |
LYS |
A |
198 |
−1.794 |
−2.809 |
5.616 |
1.00 |
10.74 |
A |
ATOM |
6541 |
NZ |
LYS |
A |
198 |
−2.644 |
−2.633 |
4.407 |
1.00 |
11.54 |
A |
ATOM |
6542 |
C |
LYS |
A |
198 |
2.996 |
−1.350 |
6.203 |
1.00 |
7.94 |
A |
ATOM |
6543 |
O |
LYS |
A |
198 |
2.420 |
−0.263 |
6.082 |
1.00 |
8.01 |
A |
ATOM |
6544 |
N |
LEU |
A |
199 |
3.929 |
−1.589 |
7.119 |
1.00 |
8.20 |
A |
ATOM |
6545 |
CA |
LEU |
A |
199 |
4.335 |
−0.592 |
8.101 |
1.00 |
8.16 |
A |
ATOM |
6546 |
CB |
LEU |
A |
199 |
4.199 |
−1.180 |
9.510 |
1.00 |
8.84 |
A |
ATOM |
6547 |
CG |
LEU |
A |
199 |
2.859 |
−1.852 |
9.827 |
1.00 |
9.23 |
A |
ATOM |
6548 |
CD1 |
LEU |
A |
199 |
2.923 |
−2.499 |
11.203 |
1.00 |
9.71 |
A |
ATOM |
6549 |
CD2 |
LEU |
A |
199 |
1.739 |
−0.827 |
9.745 |
1.00 |
9.80 |
A |
ATOM |
6550 |
C |
LEU |
A |
199 |
5.775 |
−0.130 |
7.882 |
1.00 |
8.13 |
A |
ATOM |
6551 |
OT1 |
LEU |
A |
199 |
6.440 |
−0.652 |
6.959 |
1.00 |
7.55 |
A |
ATOM |
6552 |
OT2 |
LEU |
A |
199 |
6.216 |
0.753 |
8.649 |
1.00 |
8.21 |
A |
ATOM |
6613 |
N1 |
GSH |
H |
4 |
12.088 |
5.233 |
20.820 |
1.00 |
7.13 |
H |
ATOM |
6614 |
CA1 |
GSH |
H |
4 |
12.962 |
4.197 |
20.254 |
1.00 |
7.03 |
H |
ATOM |
6615 |
C1 |
GSH |
H |
4 |
13.457 |
4.588 |
18.834 |
1.00 |
6.55 |
H |
ATOM |
6616 |
O11 |
GSH |
H |
4 |
12.879 |
5.504 |
18.242 |
1.00 |
6.42 |
H |
ATOM |
6617 |
O12 |
GSH |
H |
4 |
14.524 |
3.959 |
18.368 |
1.00 |
5.57 |
H |
ATOM |
6618 |
CB1 |
GSH |
H |
4 |
12.145 |
2.885 |
20.215 |
1.00 |
7.92 |
H |
ATOM |
6619 |
CG1 |
GSH |
H |
4 |
13.006 |
1.603 |
20.044 |
1.00 |
8.47 |
H |
ATOM |
6620 |
CD1 |
GSH |
H |
4 |
12.022 |
0.396 |
19.925 |
1.00 |
9.25 |
H |
ATOM |
6621 |
OE1 |
GSH |
H |
4 |
11.170 |
0.182 |
20.803 |
1.00 |
9.64 |
H |
ATOM |
6622 |
N2 |
GSH |
H |
4 |
12.250 |
−0.419 |
18.881 |
1.00 |
9.52 |
H |
ATOM |
6623 |
CA2 |
GSH |
H |
4 |
11.428 |
−1.623 |
18.662 |
1.00 |
10.30 |
H |
ATOM |
6624 |
C2 |
GSH |
H |
4 |
12.205 |
−2.870 |
19.063 |
1.00 |
10.93 |
H |
ATOM |
6625 |
O2 |
GSH |
H |
4 |
13.436 |
−2.897 |
19.121 |
1.00 |
9.41 |
H |
ATOM |
6626 |
CB2 |
GSH |
H |
4 |
11.161 |
−1.836 |
17.165 |
1.00 |
10.45 |
H |
ATOM |
6627 |
SG2 |
GSH |
H |
4 |
10.101 |
−0.583 |
16.421 |
1.00 |
11.44 |
H |
ATOM |
6628 |
N3 |
GSH |
H |
4 |
11.453 |
−3.878 |
19.521 |
1.00 |
12.52 |
H |
ATOM |
6629 |
CA3 |
GSH |
H |
4 |
11.906 |
−5.282 |
19.488 |
1.00 |
13.88 |
H |
ATOM |
6630 |
C3 |
GSH |
H |
4 |
12.200 |
−5.722 |
20.899 |
1.00 |
14.49 |
H |
ATOM |
6631 |
O31 |
GSH |
H |
4 |
12.672 |
−6.865 |
21.036 |
1.00 |
15.15 |
H |
ATOM |
6632 |
O32 |
GSH |
H |
4 |
12.014 |
−4.897 |
21.826 |
1.00 |
15.40 |
H |
ATOM |
6675 |
MG + 2 |
MG2 |
M |
901 |
10.564 |
10.708 |
23.002 |
1.00 |
6.47 |
M |
ATOM |
6761 |
C1 |
HQL |
X |
201 |
0.783 |
3.731 |
14.700 |
1.00 |
14.62 |
X |
ATOM |
6762 |
C2 |
HQL |
X |
201 |
1.692 |
4.118 |
15.845 |
1.00 |
14.59 |
X |
ATOM |
6763 |
C3 |
HQL |
X |
201 |
3.106 |
3.797 |
15.836 |
1.00 |
14.55 |
X |
ATOM |
6764 |
C4 |
HQL |
X |
201 |
3.711 |
3.097 |
14.685 |
1.00 |
14.90 |
X |
ATOM |
6765 |
C5 |
HQL |
X |
201 |
5.187 |
2.827 |
14.734 |
1.00 |
15.13 |
X |
ATOM |
6766 |
O1 |
HQL |
X |
201 |
5.430 |
1.582 |
13.989 |
1.00 |
16.49 |
X |
ATOM |
6767 |
C6 |
HQL |
X |
201 |
6.385 |
0.713 |
14.568 |
1.00 |
18.14 |
X |
ATOM |
6768 |
C7 |
HQL |
X |
201 |
5.869 |
0.071 |
16.022 |
1.00 |
18.91 |
X |
ATOM |
6769 |
C8 |
HQL |
X |
201 |
5.795 |
−1.443 |
16.083 |
1.00 |
19.93 |
X |
ATOM |
6770 |
N1 |
HQL |
X |
201 |
5.334 |
−2.091 |
14.799 |
1.00 |
20.61 |
X |
ATOM |
6771 |
C9 |
HQL |
X |
201 |
5.405 |
−3.554 |
15.187 |
1.00 |
21.81 |
X |
ATOM |
6772 |
C10 |
HQL |
X |
201 |
5.034 |
−4.554 |
14.080 |
1.00 |
23.26 |
X |
ATOM |
6773 |
C11 |
HQL |
X |
201 |
5.181 |
−5.967 |
14.572 |
1.00 |
24.56 |
X |
ATOM |
6774 |
C12 |
HQL |
X |
201 |
4.877 |
−6.836 |
13.391 |
1.00 |
25.39 |
X |
ATOM |
6775 |
N2 |
HQL |
X |
201 |
3.772 |
−6.819 |
12.624 |
1.00 |
25.84 |
X |
ATOM |
6776 |
N3 |
HQL |
X |
201 |
3.922 |
−7.729 |
11.695 |
1.00 |
26.13 |
X |
ATOM |
6777 |
N4 |
HQL |
X |
201 |
5.093 |
−8.318 |
11.859 |
1.00 |
26.09 |
X |
ATOM |
6778 |
N5 |
HQL |
X |
201 |
5.695 |
−7.787 |
12.893 |
1.00 |
25.73 |
X |
ATOM |
6779 |
C13 |
HQL |
X |
201 |
6.228 |
−1.740 |
13.566 |
1.00 |
19.90 |
X |
ATOM |
6780 |
C14 |
HQL |
X |
201 |
6.591 |
−0.245 |
13.299 |
1.00 |
18.75 |
X |
ATOM |
6781 |
C15 |
HQL |
X |
201 |
5.994 |
4.025 |
14.243 |
1.00 |
14.57 |
X |
ATOM |
6782 |
C16 |
HQL |
X |
201 |
6.642 |
4.886 |
15.312 |
1.00 |
14.43 |
X |
ATOM |
6783 |
C17 |
HQL |
X |
201 |
7.411 |
6.102 |
14.925 |
1.00 |
14.09 |
X |
ATOM |
6784 |
C18 |
HQL |
X |
201 |
7.560 |
6.480 |
13.475 |
1.00 |
14.22 |
X |
ATOM |
6785 |
C19 |
HQL |
X |
201 |
6.931 |
5.623 |
12.396 |
1.00 |
14.18 |
X |
ATOM |
6786 |
C20 |
HQL |
X |
201 |
6.151 |
4.410 |
12.778 |
1.00 |
14.33 |
X |
ATOM |
6787 |
C21 |
HQL |
X |
201 |
2.813 |
2.674 |
13.498 |
1.00 |
14.91 |
X |
ATOM |
6788 |
C22 |
HQL |
X |
201 |
1.353 |
2.988 |
13.530 |
1.00 |
14.88 |
X |
ATOM |
6790 |
OH2 |
WAT |
S |
2 |
14.771 |
8.489 |
19.484 |
1.00 |
5.47 |
S |
ATOM |
6791 |
OH2 |
WAT |
S |
3 |
11.680 |
1.507 |
3.580 |
1.00 |
5.07 |
S |
ATOM |
6794 |
OH2 |
WAT |
S |
6 |
16.764 |
2.346 |
18.953 |
1.00 |
6.31 |
S |
ATOM |
6797 |
OH2 |
WAT |
S |
9 |
10.902 |
6.761 |
11.193 |
1.00 |
3.72 |
S |
ATOM |
6802 |
OH2 |
WAT |
S |
14 |
17.269 |
−1.249 |
7.632 |
1.00 |
5.08 |
S |
ATOM |
6804 |
OH2 |
WAT |
S |
16 |
19.130 |
−0.458 |
21.382 |
1.00 |
6.03 |
S |
ATOM |
6807 |
OH2 |
WAT |
S |
19 |
9.886 |
−0.690 |
3.622 |
1.00 |
4.46 |
S |
ATOM |
6809 |
OH2 |
WAT |
S |
21 |
11.248 |
7.004 |
14.090 |
1.00 |
4.99 |
S |
ATOM |
6814 |
OH2 |
WAT |
S |
26 |
23.738 |
−1.909 |
12.157 |
1.00 |
5.26 |
S |
ATOM |
6818 |
OH2 |
WAT |
S |
30 |
17.625 |
1.909 |
21.799 |
1.00 |
6.78 |
S |
ATOM |
6824 |
OH2 |
WAT |
S |
36 |
16.161 |
2.164 |
24.178 |
1.00 |
8.59 |
S |
ATOM |
6825 |
OH2 |
WAT |
S |
37 |
6.016 |
5.686 |
6.917 |
1.00 |
8.02 |
S |
ATOM |
6834 |
OH2 |
WAT |
S |
46 |
6.979 |
0.708 |
2.055 |
1.00 |
6.31 |
S |
ATOM |
6838 |
OH2 |
WAT |
S |
50 |
12.098 |
8.108 |
20.192 |
1.00 |
7.43 |
S |
ATOM |
6851 |
OH2 |
WAT |
S |
63 |
5.327 |
2.748 |
9.978 |
1.00 |
10.75 |
S |
ATOM |
6862 |
OH2 |
WAT |
S |
74 |
7.157 |
4.594 |
9.351 |
1.00 |
8.69 |
S |
ATOM |
6875 |
OH2 |
WAT |
S |
87 |
13.436 |
2.712 |
24.346 |
1.00 |
11.43 |
S |
ATOM |
6881 |
OH2 |
WAT |
S |
93 |
13.465 |
2.511 |
27.281 |
1.00 |
8.49 |
S |
ATOM |
6917 |
OH2 |
WAT |
S |
129 |
4.790 |
−5.831 |
4.947 |
1.00 |
16.22 |
S |
ATOM |
6923 |
OH2 |
WAT |
S |
135 |
11.522 |
−7.922 |
8.942 |
1.00 |
14.58 |
S |
ATOM |
6927 |
OH2 |
WAT |
S |
139 |
7.332 |
5.571 |
25.452 |
1.00 |
13.15 |
S |
ATOM |
6931 |
OH2 |
WAT |
S |
144 |
4.347 |
8.725 |
24.399 |
1.00 |
18.59 |
S |
ATOM |
6936 |
OH2 |
WAT |
S |
149 |
21.684 |
−0.730 |
22.365 |
1.00 |
19.24 |
S |
ATOM |
6940 |
OH2 |
WAT |
S |
153 |
6.829 |
6.961 |
4.592 |
1.00 |
11.46 |
S |
ATOM |
6994 |
OH2 |
WAT |
S |
207 |
9.472 |
5.801 |
21.506 |
1.00 |
15.51 |
S |
ATOM |
6997 |
OH2 |
WAT |
S |
210 |
5.042 |
−4.149 |
7.833 |
1.00 |
13.78 |
S |
ATOM |
7091 |
OH2 |
WAT |
S |
304 |
3.700 |
2.599 |
19.458 |
1.00 |
18.38 |
S |
ATOM |
7143 |
OH2 |
WAT |
S |
356 |
4.462 |
6.079 |
25.441 |
1.00 |
21.81 |
S |
ATOM |
7153 |
OH2 |
WAT |
S |
366 |
14.674 |
−8.789 |
5.088 |
1.00 |
25.86 |
S |
ATOM |
7162 |
OH2 |
WAT |
S |
375 |
14.316 |
13.133 |
20.343 |
1.00 |
19.71 |
S |
ATOM |
7174 |
OH2 |
WAT |
S |
387 |
8.250 |
1.189 |
18.665 |
1.00 |
24.62 |
S |
ATOM |
7183 |
OH2 |
WAT |
S |
396 |
20.328 |
−6.928 |
24.875 |
1.00 |
32.42 |
S |
ATOM |
7223 |
OH2 |
WAT |
S |
436 |
22.932 |
−6.039 |
12.661 |
1.00 |
30.30 |
S |
ATOM |
7226 |
OH2 |
WAT |
S |
439 |
10.226 |
−11.668 |
9.025 |
1.00 |
26.07 |
S |
ATOM |
7227 |
OH2 |
WAT |
S |
440 |
10.828 |
1.782 |
27.468 |
1.00 |
17.99 |
S |
ATOM |
7231 |
OH2 |
WAT |
S |
444 |
11.916 |
−14.217 |
16.326 |
1.00 |
26.35 |
S |
ATOM |
7244 |
OH2 |
WAT |
S |
457 |
16.265 |
−1.371 |
28.167 |
1.00 |
34.60 |
S |
ATOM |
7281 |
OH2 |
WAT |
S |
494 |
7.021 |
−5.903 |
6.732 |
1.00 |
25.70 |
S |
ATOM |
7290 |
OH2 |
WAT |
S |
503 |
11.401 |
0.940 |
23.577 |
1.00 |
22.25 |
S |
ATOM |
7313 |
OH2 |
WAT |
S |
526 |
15.359 |
0.458 |
26.169 |
1.00 |
23.29 |
S |
ATOM |
7325 |
OH2 |
WAT |
S |
538 |
11.588 |
−8.884 |
22.349 |
1.00 |
25.83 |
S |
ATOM |
7341 |
OH2 |
WAT |
S |
554 |
10.740 |
−8.906 |
19.123 |
1.00 |
36.43 |
S |
ATOM |
7365 |
OH2 |
WAT |
S |
578 |
9.748 |
−2.511 |
21.886 |
1.00 |
32.74 |
S |
ATOM |
7428 |
OH2 |
WAT |
S |
641 |
9.454 |
12.503 |
23.240 |
1.00 |
7.54 |
S |
ATOM |
7429 |
OH2 |
WAT |
S |
642 |
9.887 |
9.966 |
24.786 |
1.00 |
10.81 |
S |
ATOM |
7430 |
OH2 |
WAT |
S |
643 |
12.091 |
11.779 |
23.976 |
1.00 |
13.97 |
S |
ATOM |
7431 |
OH2 |
WAT |
S |
644 |
11.037 |
11.297 |
21.097 |
1.00 |
12.32 |
S |
ATOM |
7432 |
OH2 |
WAT |
S |
645 |
8.928 |
9.669 |
22.178 |
1.00 |
9.54 |
S |
ATOM |
7433 |
OH2 |
WAT |
S |
646 |
11.790 |
9.079 |
22.827 |
1.00 |
8.22 |
S |
ATOM |
7445 |
OH2 |
WAT |
S |
658 |
8.377 |
3.747 |
23.391 |
1.00 |
28.44 |
S |
ATOM |
7448 |
OH2 |
WAT |
S |
661 |
10.331 |
−0.751 |
28.752 |
1.00 |
36.87 |
S |
ATOM |
7449 |
OH2 |
WAT |
S |
662 |
11.270 |
−5.110 |
29.771 |
1.00 |
27.40 |
S |
ATOM |
7473 |
OH2 |
WAT |
S |
686 |
6.297 |
−7.443 |
3.798 |
1.00 |
34.15 |
S |
ATOM |
7482 |
OH2 |
WAT |
S |
695 |
2.766 |
−7.409 |
6.323 |
1.00 |
31.70 |
S |
ATOM |
7483 |
OH2 |
WAT |
S |
696 |
3.236 |
−5.622 |
9.446 |
1.00 |
30.92 |
S |
ATOM |
7490 |
OH2 |
WAT |
S |
703 |
7.547 |
8.295 |
24.274 |
1.00 |
13.98 |
S |
ATOM |
7498 |
OH2 |
WAT |
S |
711 |
23.720 |
0.535 |
21.093 |
1.00 |
33.19 |
S |
ATOM |
7518 |
OH2 |
WAT |
S |
731 |
11.607 |
−11.967 |
17.559 |
1.00 |
29.38 |
S |
ATOM |
7606 |
OH2 |
WAT |
S |
819 |
13.230 |
−5.747 |
25.483 |
1.00 |
31.58 |
S |
ATOM |
7607 |
OH2 |
WAT |
S |
820 |
15.415 |
−8.549 |
26.956 |
1.00 |
34.91 |
S |
ATOM |
7646 |
OH2 |
WAT |
S |
859 |
19.195 |
−6.110 |
26.916 |
1.00 |
43.51 |
S |
ATOM |
7663 |
OH2 |
WAT |
S |
876 |
9.450 |
−8.128 |
10.745 |
1.00 |
28.17 |
S |
ATOM |
7664 |
OH2 |
WAT |
S |
877 |
6.964 |
−8.045 |
9.036 |
1.00 |
32.76 |
S |
ATOM |
7677 |
OH2 |
WAT |
S |
890 |
−4.103 |
−2.947 |
14.907 |
1.00 |
31.94 |
S |
ATOM |
7685 |
OH2 |
WAT |
S |
898 |
0.382 |
−6.331 |
13.311 |
1.00 |
40.22 |
S |
ATOM |
7703 |
OH2 |
WAT |
S |
916 |
12.503 |
−10.886 |
20.792 |
1.00 |
32.79 |
S |
ATOM |
7726 |
OH2 |
WAT |
S |
939 |
9.361 |
1.904 |
25.025 |
1.00 |
24.74 |
S |
ATOM |
7733 |
OH2 |
WAT |
S |
946 |
6.220 |
10.170 |
25.032 |
1.00 |
33.80 |
S |
ATOM |
7801 |
OH2 |
WAT |
S |
1014 |
9.686 |
−9.232 |
5.261 |
1.00 |
31.69 |
S |
ATOM |
7802 |
OH2 |
WAT |
S |
1015 |
3.009 |
−1.511 |
23.142 |
1.00 |
36.99 |
S |
ATOM |
7825 |
OH2 |
WAT |
S |
1038 |
12.443 |
−8.837 |
27.155 |
1.00 |
37.43 |
S |
ATOM |
7836 |
OH2 |
WAT |
S |
1049 |
2.595 |
0.473 |
29.257 |
1.00 |
34.46 |
S |
ATOM |
7879 |
OH2 |
WAT |
S |
1092 |
8.471 |
−3.139 |
15.245 |
1.00 |
24.42 |
S |
ATOM |
7889 |
OH2 |
WAT |
S |
1102 |
8.537 |
−5.669 |
15.531 |
1.00 |
33.36 |
S |
ATOM |
7890 |
OH2 |
WAT |
S |
1103 |
9.120 |
−7.616 |
16.968 |
1.00 |
37.15 |
S |
ATOM |
7932 |
OH2 |
WAT |
S |
1147 |
2.722 |
0.246 |
25.232 |
1.00 |
38.87 |
S |
ATOM |
7933 |
OH2 |
WAT |
S |
1148 |
1.715 |
2.322 |
24.218 |
1.00 |
34.69 |
S |
ATOM |
7946 |
OH2 |
WAT |
S |
1161 |
12.929 |
−1.852 |
29.410 |
1.00 |
40.70 |
S |
ATOM |
8049 |
OH2 |
WAT |
S |
1264 |
5.506 |
−4.229 |
21.028 |
1.00 |
36.38 |
S |
ATOM |
8050 |
OH2 |
WAT |
S |
1265 |
7.355 |
−0.482 |
24.373 |
1.00 |
39.74 |
S |
ATOM |
8051 |
OH2 |
WAT |
S |
1266 |
5.564 |
−1.958 |
27.066 |
1.00 |
38.45 |
S |
ATOM |
8054 |
OH2 |
WAT |
S |
1269 |
1.047 |
−2.647 |
28.146 |
1.00 |
39.12 |
S |
|