JP2001069995A - Hcv polymerase suitable for crystal structural analysis and usage thereof - Google Patents

Abstract

PROBLEM TO BE SOLVED: To obtain the subject new enzyme derived from HCV polymerase N5B, having HCV polymerase activity, consisting of a polypeptide having a specific amino acid sequence, suitable for crystal structural analysis, and capable of e.g. designing HCV polymerase inhibitors. SOLUTION: This new enzyme is such as to be derived from HCV polymerase NS5B, have HCV polymerase activity, consisting of a new polypeptide having an amino acid sequence of the formula: X-Y [X is a consecutive amino acid sequence as a part of NS5B; the amino acid on the N-terminal of X is that at 1-position (Ser) on the NS5B, and the amino acid residue on the C-terminal of X is any amino acid residue at 531-position (Lys) to 570-position (Arg) on the NS5B; Y is carboxy group or another amino acid sequence not derived from the NS5B; one or more amino acid(s) in the amino acid sequence of X may be mutated or substituted with methionine or selenomethionine]. This new enzyme is useful for designing and/or identifying HCV polymerase inhibitors, developing HCV inhibitors, etc.

Description

DETAILED DESCRIPTION OF THE INVENTION

[0001]

The present invention relates to a polypeptide having HCV polymerase activity, suitable for crystal structure analysis, and effective for evaluating HCV polymerase activity. Furthermore,
It relates to the use of the polypeptide. More specifically, HC
The present invention relates to a polypeptide having V polymerase activity and capable of obtaining a crystal suitable for crystal structure analysis, a crystal thereof, and a DNA encoding the polypeptide. A method for determining the structural coordinates of a co-complex and a mutant of the polypeptide using the structural coordinates of the polypeptide (NS5B);
(B) from the suitability of the test compound for the active site and / or RNA binding cleft of the polypeptide,
The present invention relates to a method for identifying a CV polymerase inhibitor, and (c) an HCV polymerase inhibitor obtained by the method. In addition, some of the polypeptides contain native HC
The present invention also relates to a method for identifying an HCV polymerase inhibitor using the polypeptide, since the polymerase activity is higher than that of V-polymerase.

[0002]

2. Description of the Related Art Hepatitis C is a serious problem because it is infected by blood transfusion and the like, and more than half of infected persons become chronic and have a high probability of transition to cirrhosis or liver cancer. It is known that the cause of hepatitis C is hepatitis C virus (HCV), and its gene was cloned by immunoscreening in 1989 using chimpanzee plasma infected with human plasma as a sample (Scienc).
e, 244, 359-362 (1989)).

[0003] Hepatitis C virus is a plus-strand RNA virus having an envelope and has an RNA encoding a protein consisting of 3010 amino acids. Precursor proteins biosynthesized in the host based on this RNA are separated from structural proteins (core protein and two envelope proteins) that form virus particles by cellular signalase and a protease encoded by the RNA of the virus itself. Structural proteins (NS2, NS3, NS4A,
NS4B, NS5A, NS5B). N
S2 and NS3 retain protease activity and are essential enzymes for precursor protein processing.
Helicase 3 and the NS5B RNA-dependent RNA polymerase are thought to be essential for viral replication. Currently, interferon α is used as a therapeutic agent for HCV,
Although there is interferon β, there are many patients who do not respond to these interferons, and there are many patients who have low effects, and therapeutic agents with higher effects are required. New HC
The development of V-inhibitors is also underway, and research on inhibitors targeting HCV-specific proteins such as proteases, helicases, and RNA-dependent RNA polymerases has attracted attention.

[0004] Screening for viral growth inhibitors involves:
Generally, it is performed by measuring the growth inhibitory activity of the virus in vitro or in vivo. However, a technique for in vitro propagation of the HCV virus has not been established, and HCV is a virus that infects only human and chimpanzee cells.
It is difficult to directly screen for virus growth. Therefore, in the development of anti-HCV agents, HCV
It is of great significance to proceed with the development of inhibitors targeting specific encoding proteins required for the growth of E. coli, and there is a long-awaited need for an efficient assay method. On the other hand, in the development of enzyme activity inhibitors, attempts have been made to molecularly design inhibitors based on the three-dimensional structure of the enzyme in order to increase the screening efficiency. This is an attempt to design or identify a candidate compound by simulating a computer to evaluate the inhibitory activity of the candidate compound on the enzyme activity in consideration of the three-dimensional structure of various candidate compounds and the physical properties of the molecules. By combining the design and evaluation of an inhibitor using the three-dimensional structure of these enzymes with the evaluation of the enzyme activity of an actually synthesized compound, the inhibitor can be identified more efficiently.

[0005] In order to perform molecular design of an inhibitor using a computer, the three-dimensional structure of the enzyme must be clarified. The three-dimensional structure of the enzyme can be elucidated by performing X-ray analysis of the crystal. For example, HIV reverse transcriptase (Nature structure)
al biology, 2, 293-302 (199
5), Structure, 3, 365-379 (19)
95)), interleukin-1 beta converting enzyme (WO
95/35367), cytomegalovirus protease (WO97 / 42311), HCV helicase (W
O99 / 09148) and the like. Enzymes are high molecular weight compounds and their structures are complex. Therefore, in structural analysis using X-rays, it is necessary to first amplify the diffraction intensity obtained by X-ray irradiation by crystallizing the enzyme. Furthermore, unless the enzyme is crystallized stably and mass production is not possible, sufficient structural analysis cannot be performed. Advances in genetic recombination technology have made it possible to obtain large quantities of enzymes that are homogeneous and highly purifiable. However, it is difficult to make crystals suitable for X-ray analysis of enzymes, and complete structural analysis is often impossible even if crystallization can be achieved. For example, the crystal structure of poliovirus RNA-dependent RNA polymerase (Structure, 5, 1109-1122 (1
997)) is not complete and only a part of the structure has been analyzed. The reason may be that the partial structure in the crystallized enzyme is mobile, and the protein does not have a stable structure.

Under such technical background, recently, H
Information on the results of research on crystal structure analysis of CV polymerase has begun to be disclosed. Nature Struct
ural Biology, 6 (10), 937-43
(Oct. 1999), a three-dimensional structure of NS5B is analyzed by X-ray structural analysis using a hexahistidine tag added to the N-terminal of NS5B consisting of a 570 amino acid sequence. Also, Proc. Natl. Ac
ad. Sci. USA, 96 (23), 13034-3
9 (Nov. 1999) shows a sequence of 531 amino acids, and the three-dimensional structure of NS5B is similarly analyzed. However, these are all documents published after the priority date of the present application. In addition, HC described in the literature
There is no description that V-polymerase is more active than the natural type HCV polymerase, and there is no description that it is useful for actual enzyme activity evaluation, nor is there any description suggesting that. On the other hand, WO99 / 43792 discloses, as a novel HCV polymerase useful for enzyme activity evaluation, HC5 having a glutathione S-transferase tag sequence added to the N-terminal of NS5B consisting of a 570 amino acid sequence and a mutant thereof.
V polymerase has been published. However, the publication does not disclose that the polymerase is useful for X-ray structure analysis or is suitable for crystallization, and also describes a method for identifying an HCV polymerase inhibitor using a three-dimensional structure. There is no statement suggesting that. It has been suggested that the C-terminal structure of HCV polymerase may auto-inhibit RNA replication (Structure, 7 (11), 141).
7-26 (Nov. 1999)) In fact, it has been reported that those with the C-terminal deleted have high RNA-dependent RNA polymerase activity (Journal of Vir.).
ology, 73, 1649-54 (Feb. 199).
9)), (Journal of General V
irology, 81, 759-767 (200
0)). However, NS5B ₅₃₆ (full length NS5
NS5B consisting of 536 amino acids with the C-terminus of B truncated, and so on) and NS5B
₅₂₈ merely shows that the activity is slightly higher than NS5B ₅₇₀ (about 1.3 to 1.4 times). NS5B ₅₉₁ (full length NS5B) and NS5B
_Only activity comparison with B570. Although these documents show that truncated NS5B retains polymerase activity, it does not show how to take advantage of the high polymerase activity and more efficiently evaluate the inhibition of HCV polymerase activity. In addition, there is no suggestion about a method of combining the above-mentioned method for identifying an inhibitor based on the three-dimensional structure of HCV polymerase with a more efficient method for identifying a compound having an inhibitory activity on HCV polymerase inhibitory activity.

[0007]

SUMMARY OF THE INVENTION An object of the present invention is to provide an HC
An object of the present invention is to provide a polypeptide having V-polymerase activity and capable of obtaining a crystal suitable for crystal structure analysis, a crystal thereof, and a DNA encoding the polypeptide. Determining the structural coordinates of the polypeptide (NS5B);
(A) a method for determining the structural coordinates of the co-complex and variant of the polypeptide from the structural coordinates, (b) the active site and / or RNA binding cleft of the polypeptide (cref)
The present invention provides a method for identifying an HCV polymerase inhibitor from the suitability of a test compound for t), and (c) an HCV polymerase inhibitor obtained by the method. Still another object of the present invention is to provide a polypeptide having a higher polymerase activity as compared to a native HCV polymerase.
An object of the present invention is to provide a method for inhibiting CV polymerase and a method for identifying an HCV polymerase inhibitor using the method.

[0008]

Means for Solving the Problems The present inventors have conducted intensive studies to find a polypeptide having HCV polymerase activity and capable of obtaining a crystal suitable for crystal structure analysis. The present inventor has succeeded in elucidating the crystal structure, and has completed the present invention. More specifically, it is as described in (1) to (18).

(1) A polypeptide derived from HCV polymerase NS5B, which has an HCV polymerase activity and has an amino acid sequence consisting of XY. Here, X is a part of NS5B The N-terminal amino acid of X is the amino acid at position 1 (Ser) of NS5B, and the C-terminal amino acid residue of X is the amino acid residue at positions 531 (Lys) to 570 (Arg) of NS5B. Any amino acid residue. Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. ｝.

(2) The amino acid residue at the C-terminus of X is
The 536th (Leu) to 552th (Va) of the NS5B
The polypeptide according to (1), which is any amino acid residue of 1).

(3) The amino acid residue at the C-terminus of X is
The 536th position (Leu) to 544th position (Gl
The polypeptide according to (2), which is any amino acid residue of n).

(4) The amino acid residue at the C-terminus of X is
The NS5B 531 position (Lys) to 544 position (Gl
The polypeptide according to (2), which is any amino acid residue of n).

(5) The polypeptide according to (1) to (4), wherein methionine in the amino acid sequence of X is substituted by selenomethionine.

(6) The polypeptide according to (1) to (5), wherein said Y is another amino acid sequence not derived from said NS5B, and said other amino acid sequence is an amino acid sequence suitable for column purification.

(7) The polypeptide according to any one of (1) to (6), wherein the NS5B has an amino acid sequence shown in Sequence Listing 1.

(8) The polypeptide according to (1), wherein the polypeptide is specified by three-dimensional structural coordinates shown in Table 2 or 3.

(9) A crystal comprising a plurality of polypeptides according to any one of (1) to (8).

(10) A DNA encoding the polypeptide according to any one of (1) to (8).

(11) A method of determining the three-dimensional structural coordinates of a co-complex or a mutant of the NS5B by molecular replacement using the three-dimensional structural coordinates of the HCV polymerase NS5B.

(12) A method for designing or identifying an HCV polymerase inhibitor, comprising the steps of:
A polypeptide derived from V polymerase NS5B, which has an HCV polymerase activity and has an amino acid sequence consisting of XY.
S5B is a partial continuous amino acid sequence, the N-terminal amino acid of X is the amino acid at position 1 (Ser) of NS5B, and the C-terminal amino acid residue of X is 53 of NS5B.
Any amino acid residue from position 1 (Lys) to position 570 (Arg). Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. Determining the suitability of the test compound for the active site and / or RNA binding cleft of the polypeptide using the three-dimensional structure coordinates of｝ or a portion thereof and the three-dimensional structure coordinates of the test compound. The method characterized by the above.

(13) A method for designing or identifying an HCV polymerase inhibitor, comprising the following steps: (a) The following polypeptide: HCV polymerase NS5B
A polypeptide having HCV polymerase activity and having an amino acid sequence consisting of XY, wherein X is a partial continuous amino acid sequence of NS5B, The terminal amino acid is the NS5
The amino acid residue at position 1 (Ser) of B; the amino acid residue at the C-terminus of X is from position 531 (Lys) to 57 of NS5B;
Any amino acid residue at position 0 (Arg). Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine.三 three-dimensional structural coordinates or a part thereof,
Using the three-dimensional structural coordinates of the test compound to determine the suitability of the test compound for the active site of the polypeptide and / or RNA binding cleft; (b) determining the inhibitory activity of the test compound on the HCV polymerase activity And (c) using the compatibility data of the test compound determined in (a) above and the inhibitory activity data determined in (b) above to further design or identify an HCV polymerase inhibitor.

(14) The three-dimensional structural coordinates of the polypeptide are the three-dimensional structural coordinates shown in Table 2 or Table 3.
The method according to any one of 1) to (13).

(15) A method for identifying an HCV polymerase inhibitor, comprising the steps of: (a) the following polypeptide: HCV polymerase NS5B
A polypeptide having HCV polymerase activity and an amino acid sequence consisting of X′-Y, wherein X ′ is a part of the NS5B continuous amino acid sequence; The N-terminal amino acid of 'is the amino acid at position 1 (Ser) of NS5B,
The terminal amino acid residue is any amino acid residue at positions 531 (Lys) to 544 (Gln). Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X 'may be mutated, and methionine in the amino acid sequence of X' may be substituted with selenomethionine. (B) reacting the polypeptide obtained in (a) with a template RNA and a substrate in the presence of the test compound and measuring the HCV polymerase activity of the polypeptide; (c) Reacting the polypeptide obtained in (a) with a template RNA and a substrate in the absence thereof, and measuring the HCV polymerase activity of the polypeptide; and (d) the HCV polymerase activity of (b) and the (c) ) HCV polymerase activity.

(16) An HCV polymerase inhibitor identified by the method according to any one of (12) to (15).

(17) An HCV polymerase inhibitor having an activity of inhibiting the HCV polymerase activity of NS5B by acting on the boundary between the thumb site and palm site of HC5 polymerase NS5B.

(18) The inhibitor is represented by the following general formula [I] Z¹-Z²-Z³-Leu-Z⁴-Z⁵-Trp-Ph
e-Z⁶  With a polypeptide represented by or a pharmaceutically acceptable salt thereof
An HCV polymerase inhibitor according to (17). here
And Z¹And Z⁶Is a hydrophilic group and any amino acid residue
And Z²And Z³Is a single bond or any amino acid residue
Z represents a group⁴And Z⁵Indicates any amino acid residue
You.

The terms used in the present specification have the following meanings. "HCV" means Hepatiti
s C Virus, that is, hepatitis C virus. "HCV polymerase" refers to an RNA-dependent RNA polymerase encoded by hepatitis C virus RNA. It does not mean only a specific sequence, but may be any genotype or any mutation as long as it is a polypeptide derived from HCV polymerase NS5B and has polymerase activity on HCV RNA. . The HCV polymerase is a polypeptide derived from the HCV polymerase NS5B, which has a polymerase activity and has an amino acid sequence consisting of XY. Here, X is a part of the NS5B. A continuous amino acid sequence,
The terminal amino acid is the amino acid at position 1 (Ser) of the NS5B, and the C-terminal amino acid residue of X is 5% of the NS5B.
Any amino acid residue from position 31 (Lys) to position 570 (Arg). Y is a carboxyl group or the NS5B
Other amino acid sequences not derived from One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. ｝ Is included. In the present specification, unless otherwise specified, a specific amino acid position means a position in the amino acid sequence of NS5B. The amino acid sequence described in SEQ ID NO: 1 is an HCV polymerase of the HCV-BK strain belonging to the HCV1b type genotype, and is a more useful HCV polymerase in that it has a large genotype in the world, particularly in Japan.

The "HCV polymerase NS5B" and "N
S5B "means NS5B (nonstructural) of HCV.
ua5B) is a non-structural protein encoded by the region. Viral protein (protein reading frame; open
n reading frame)
A protein having RNA-dependent RNA polymerase activity. Both are used synonymously unless otherwise specified, but do not indicate only a specific natural NS5B.
NS5B is a C-terminal protein that is cleaved by the protease of HCV itself in the protein reading frame. For example, in the case of the HCV-BK strain, from the amino acid at position 2420 of the viral protein (protein reading frame) to the C-terminal amino acid Is a polypeptide consisting of 591 amino acids. In addition, a continuous amino acid sequence or amino acid residue from position 1 to position 531 of NS5B is also referred to as NS5B _531, and other continuous amino acids are similarly indicated.

"HCV polymerase activity" means the function of the above-mentioned "HCV polymerase" to amplify RNA. "Inhibition activity of HCV polymerase activity"
It means the function of inhibiting the above “HCV polymerase activity”. The term “HCV polymerase inhibitor” refers to the “HCV polymerase
A drug having an activity of inhibiting the activity of "V polymerase".

"Natural HCV polymerase" is a full-length RNA-dependent RNA polymerase encoded by naturally-occurring hepatitis C virus RNA. "Native HCV polymerase" means the "HCV polymerase" described above, wherein methionine is not replaced with selenomethionine. "Substrate" means adenine, guanine, cytosine, uridine and their ribonucleosides. A which is ribonucleoside triphosphate
TP, GTP, CTP, UTP are preferred.

"X is a partial continuous amino acid sequence of NS5B, the N-terminal amino acid of X is the amino acid at position 1 (Ser) of NS5B, and the C-terminal amino acid residue of X is It is any amino acid residue from position 531 (Lys) to position 570 (Arg) of NS5B. "
1st consecutive amino acid residue, 1st to 532th consecutive amino acid residue, 1st to 533th consecutive amino acid residue ... Represented by 1st to 570th consecutive amino acid residue All amino acid residues are indicated. In order to obtain a crystal suitable for crystal structure analysis, the C-terminal amino acid residue of X is preferably any amino acid residue at positions 531 to 570 of NS5B. Specific polypeptides include NS5B ₅₃₁ , NS5B ₅₃₆ , NS5B _5
44 or NS5B ₅₇₀ is preferred, more preferably
NS5B ₅₃₆ , NS5B ₅₄₄ or NS5B ₅₇₀ , particularly preferably NS5B ₅₄₄ , NS5B
₅₇₀ . NS5B ₅₄₄ is most preferred in that the resulting crystals are of good quality. Further, in order to obtain NS5B having a higher activity than that of a natural type HCV polymerase suitable for an enzyme assay, the amino acid residue at the C-terminal of X is any amino acid residue at positions 531 to 554 of NS5B. And specific polypeptides include NS5B ₅₃₁ , NS5B ₅₃₆ and NS5B ₅₃₆
5B ₅₄₄ is preferred, and more preferably NS5B
₅₄₄ . X 'means the same amino acid residue as X except that the C-terminal amino acid residue is any amino acid residue at positions 531 to 554 of NS5B.

"One or more amino acids in the amino acid sequence of X may be mutated" means "1 to 20 amino acids, preferably 1 to 10 amino acids in the amino acid sequence of X." More preferably, one to five amino acids are
It means that it may be mutated. The mutation includes a natural or artificial deletion, substitution, or addition, and the mutation includes a mutation at the N-terminal and / or C-terminal of the amino acid sequence.
"Selenomethionine" is an amino acid substitution product in which a selenium atom is substituted for a sulfur atom of methionine.

"Amino acid sequence suitable for column purification" refers to an amino acid sequence to which an amino acid sequence capable of specifically binding to a carrier used for an antibody to be adsorbed on the affinity column can be bound in the purification of the polypeptide by an affinity column. It is preferable to use a sequence that is easily cleaved after column purification and / or does not hinder crystallization of the polypeptide. For example, a histidine tag sequence and a glutathione S-transferase tag sequence are meant. The histidine tag requires four or more histidines.
ly-Ser-His-His-His-His-Hi
s-His, -Gly-Ser-His-His-As
p-His-His-His and the like.

In the general formula [I], Z²Preferred as
Is a single bond, Z¹, Z³, Z ⁴, Z⁵And Z⁶When
And preferably any amino acid residue. Z²,
Z³, Z⁴And Z⁵Any amino acid residue of the parent
Aqueous amino acid residues are preferred, and specifically, Gly, S
er, Thr, Cys, Tyr, Asn, Gln, Ly
s, His, Arg, Asp, and Glu are preferred. Z³
Is more preferably Asp, and Z⁴As better
Preferably Ser, Z⁵More preferably as Gl
y and Ser, and more preferably Gly. Z
¹Leu and hydrophilic amino acids
Acid residues (as defined above) are preferred, and L is more preferred.
eu and Lys, and more preferably Lys.
Z⁶As optional amino acids, Val and hydrophilic amino acids
No acid residues (as defined above) are preferred, more preferably
Val, Thr, Arg and Lys, more preferably
Is Lys. The hydrophilic group is specifically a hydroxyl group,
Carboxyl group, amino group, dimethylamino group, merka
Polypeptide represented by the general formula [I]
Carbohydrate contained in the phenylalanine residue at the C-terminal of tide
A xyl group, an amino acid contained in the N-terminal residue of the polypeptide;
A mino group is also meant. Z¹More preferred as a hydrophilic group of
Is an amino group, and Z⁶More preferred as a hydrophilic group of
Is a carboxyl group. Poly represented by the general formula [I]
As the peptide, specifically, Lys-Asp-Leu
-Ser-Gly-Trp-Phe-Lys, Lys-
Lys-Asp-Leu-Ser-Gly-Trp-P
he-Lys, Lys-Asp-Leu-Ser-Gl
y-Trp-Phe-Val, Leu-Asp-Leu
-Ser-Gly-Trp-Phe-Lys, Leu-
Asp-Leu-Ser-Gly-Trp-Phe-V
al, Asp-Leu-Ser-Gly-Trp-Ph
e-Val, Asp-Leu-Ser-Gly-Trp
-Phe, Leu-Ser-Gly-Trp-Phe-
Val, Leu-Ser-Gly-Trp-Phe, L
eu-Ser-Gly-Trp-Phe-Lys, Ly
s-Leu-Ser-Gly-Trp-Phe, Leu
-Gly-Gly-Trp-Phe, Leu-Ser-
Asp-Trp-Phe, Leu-Ser-Ser-T
rp-Phe and the like, preferably Lys-As
p-Leu-Ser-Gly-Trp-Phe-Lys
And Leu-Asp-Leu-Ser-Gly-Trp
-Phe-Val, more preferably Lys-A
sp-Leu-Ser-Gly-Trp-Phe-Ly
s.

The “three-dimensional structure coordinates” and “structure coordinates” of the HCV polymerase NS5B are used synonymously, and the structure coordinates include “substantially equivalent structure coordinates” to the NS5B “structure coordinates”. . “Structural coordinates” are mathematical coordinates derived by quantifying and analyzing the diffraction intensity of each diffraction point obtained by X-ray diffraction by electrons contained in the NS5B atoms in the crystal form. Means that the position of the NS5B atom is represented as three-dimensional coordinates. Specifically, for example, Table 2 of Example 2
And the structural coordinates shown in Table 3. The “substantially equivalent structural coordinates” means derivative structural coordinates created as a result of artificially processing the NS5B structural coordinates or a part thereof by a computer or the like. Preferably, Table 2
Alternatively, when the positions of the atoms of the structural coordinates shown in Table 3 and the positions of the corresponding atoms included in the derived structural coordinates are superimposed, the residual mean square error (Residu error) from the original atoms is obtained.
al mean square deviation)
It is varied within the range of ± 0.5 ° or less, more preferably ± 0.2 ° or less, and has a polymerase activity of N
S5B structural coordinates are preferred. Also, even if the numerical values of the coordinates representing the positions of the atoms are different, the two structural coordinates in which the positions of the corresponding atoms included in the structural coordinates can be superimposed represent the same three-dimensional structure. .

The term “identify” does not only mean a single decision but also includes selecting a smaller plurality from a plurality.

The “molecular replacement method” is a method for determining a phase angle crystal structure of a protein of unknown structure using a known protein structure having the same function as an initial model. Specific methods are as follows: Experimental Chemistry Course 10, Diffraction, Chemical Society of Japan, 26
0-263 (1992) or Methods i
n Enzymology, 115, 55-77 (19
85); G. FIG. Rossman.

The term "co-complex" refers to a complex formed by HCV polymerase and a compound having or a putative inhibitory activity on HCV polymerase. It also includes complexes formed by RNA strands, substrates, and metals essential for the expression of HCV polymerase activity, such as manganese and magnesium. Co-complexes are formed by co-crystals, and HCV polymerase crystals
Polymerase Inhibitory Activity Some are obtained by immersion in a solution containing a compound having or suspected of inhibiting polymerase activity.

The “active site” is a region of HCV polymerase in which (1) a template RNA is replicated,
Positions 220 and 318 of the amino acid sequence of V polymerase,
Asp at position 319, Lys at position 141, Ar at position 158
g and / or (2) a hydrophilic shallow cavity composed of Ser at position 282, Thr at position 287, and Asn at position 291.

The “RNA binding cleft” is a part of HCV polymerase that is different from the active site, and is an inner space composed of a finger part, a palm part, and a thumb part, which will be described later. It is a site that includes a space between template RNAs during RNA replication and can be a target for identification of HCV polymerase inhibitors. However, “RNA binding cleft” as used herein means a site different from the active site. "RN
Specific sites represented by the "A-binding cleft" include the "active site", the "space region inside the palm site", and the "site at the boundary between the thumb site and the palm site".

The “space part inside the palm part” is R
Although it is not a replication region of NA, it is a gap formed between HCV polymerase and template RNA when RNA is replicated using HCV RNA as a template.
This is a space composed of regions from the 310th position to the 325th position and the 348th position to the 366th position. These regions include those having about 1 to 20, preferably about 1 to 10, and more preferably about 1 to 5 amino acids.

"Part at the boundary between thumb part and palm part"
And is not a RNA replication region, a portion C-terminal to bind the _{NS5B 570,} a site that can be the target of identification of HCV polymerase inhibitor. This is a portion having a hydrophobic surface existing at the boundary between the thumb portion and the palm portion described later. Specifically, Ser at position 196 of the amino acid sequence of HCV polymerase, Pro at position 197,
13th place Ile, 414th place Met, 447th place Il
e, Tyr at position 448, Tyr at position 452, I at position 454
This is a site composed of le, Ile at position 462, and Leu at position 466, or a portion including a part thereof.

As the sites indicated by the “RNA binding cleft”, positions 90, 98, 106
Lys at position 172, Arg at position 168, and Arg at position 465 at the thumb site. Preferably, the site that can be a target for identification of the HCV polymerase inhibitor includes an “active site” and a “site at a boundary between a thumb site and a palm site”.

The "part of the structural coordinates" means the structural coordinates including all or any of the structures represented by the "active site" and the "RNA binding cleft" among the NS5B structural coordinates.

"The active site and / or R of the polypeptide
"Compatibility of the test compound with the NA-binding cleft" means that the state in which the test compound interacts sterically or physically with the active site and / or the RNA-binding cleft is calculated, and the site and the test compound are calculated. Is determined by numerically or visually modeling the binding stability of the protein. In particular, it is preferable to derive the conformity of the surface structure of the test compound to the surface structure of the polypeptide by calculating steric or electrostatic complementarity. Compatibility comparison can be performed between arbitrary compounds such as comparison between unknown compound A and unknown compound B, comparison between known compound A and unknown compound A whose enzyme inhibitory activity is known, and comparison between known compound A and known compound B. Can be done with

"Acting on the boundary between the thumb site and the palm site" means that HCV polymerase NS5B and HCV polymerase
It indicates that the polymerase inhibitor binds at the site, for example, physically, chemically, electrostatically, etc., but is not limited to these modes of action.

The features of the present invention will be briefly described below. i) HCV polymerase suitable for crystal structure analysis and its gene HCV polymerase suitable for crystal structure analysis of the present invention comprises:
It can be produced by a conventional method of gene recombination. For example, a polypeptide derived from HCV polymerase NS5B, which has HCV polymerase activity and has an amino acid sequence consisting of XY {where X
Is a partial continuous amino acid sequence of the NS5B;
The N-terminal amino acid of X is the amino acid at position 1 (Ser) of NS5B, and the C-terminal amino acid residue of X is NS5.
Any amino acid residue at positions 531 (Lys) to 570 (Arg) of B. Y is a carboxyl group or the N
Another amino acid sequence not derived from S5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. It can be obtained by incorporating DNA encoding ベ ク タ ー into a vector, transforming Escherichia coli with the vector, culturing the resulting transformant, and isolating the peptide.

The conditions for HCV polymerase “suitable for crystal structure analysis” include that the HCV polymerase is easily purified. One embodiment of the HCV polymerase has been substituted with an amino acid suitable for column purification. This sequence facilitates purification and is suitable for mass production. Here, it is preferable that the amino acid sequence of the HCV polymerase suitable for crystallization is a sequence that easily cleaves the amino acid after column purification and / or does not hinder the crystallization of the HCV polymerase. Purification without using a surfactant is very preferable in performing crystallization after purification. "Suitable for crystal structure analysis"
Other conditions for HCV polymerase include that crystals are easy to obtain, the quality of the obtained crystals is good, and the obtained crystals are not easily broken. Easier to obtain crystals means that the crystallization operation is easy, the crystallization conditions are simple, and slight differences in the crystallization conditions, such as temperature, solvent type, concentration, pH, etc. And the difference is small and crystals can be obtained. Good crystal quality means that large crystals are selected with few lattice defects. The fact that the obtained crystal is not easily broken means that the crystal is hardly dissolved due to a change in temperature, type of solvent, concentration, pH and the like. Another condition is that the fluctuation of the crystallized polymerase molecule or the partial structure in the molecule is small. HCV obtained
Polymerases can be used, for example, to grow crystals by vapor diffusion and analyze the crystal structure. Further, HCV polymerase inhibitory activity A co-crystal with a compound having an inhibitory activity of polymerase activity or a crystal obtained by immersing (soaking) the polymerase in the compound solution can be used for co-complex crystal analysis. .

In general, when the amino acid sequence of a protein having a certain physiological activity is slightly modified, for example, when one or more amino acids in the amino acid sequence are deleted or substituted, or when one or more amino acids are replaced with one or more amino acids. It is a well-known fact that the physiological activity of the protein may be maintained even when added. The same applies to mutations that occur spontaneously instead of artificial manipulation. Polypeptides modified by amino acid deletion, substitution or addition to an amino acid can be obtained, for example, by site-directed mutagenesis (for example, Nucl.
id Research, 10 (20), 6487-6
500 (1992)). For example, the D at the site where modification of the polypeptide is desired
This can be done using synthetic oligonucleotide primers that are complementary to NA. In addition to site-directed mutagenesis, a method of treating a gene with a mutagen or a method of cleaving a gene with a restriction enzyme to remove, add or replace a selected gene fragment, and then ligating the gene is also known. A variant may include conservatively substituted sequences, which means that a particular amino acid residue may be replaced by a residue having similar physicochemical characteristics. Non-limiting examples of conservative substitutions include Ile, Val,
Substitution between aliphatic chain-containing amino acid residues such as substitution between Leu or Ala, or substitution between the polar group of a basic amino acid having a polar group, Lys, and Arg is included.

The present invention also provides a DNA encoding HCV polymerase. HCV polymerase NS5
A polypeptide derived from B, having HCV polymerase activity and having an amino acid sequence consisting of XY. Wherein X is a continuous amino acid sequence of a part of the NS5B, The N-terminal amino acid is the NS
The amino acid at the C-terminal of X is the amino acid residue at position 1 (Ser) of 5B, and the amino acid residue at position 531 (Lys) to 5
Any amino acid residue at position 70 (Arg). Y is
It is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. DNA encoding｝. Since there are a plurality of codons encoding one amino acid, DNA having any nucleotide sequence may be used as long as a desired amino acid sequence can be obtained. Therefore, for example, not only one DNA encoding the amino acid sequence represented by SEQ ID NO: 1 but any combination of codons is included in the DNA of the present invention.

Ii) Crystal Structure Analysis of HCV Polymerase Since enzymes such as HCV polymerase have a complicated molecular structure, X-ray analysis of the crystal reveals the three-dimensional structure of the crystal and the three-dimensional structure of one molecule. Specified. For the crystal structure analysis, a molecular replacement method, a multi-wavelength anomalous dispersion method, a multiple heavy atom isomorphous replacement method, or the like can be used. When analyzing the crystal structure by the multiple heavy atom isomorphous replacement method. The multiple heavy atom isomorphous replacement method means that the diffraction intensity data of the protein crystal to which the heavy atom is added obtained by the X-ray diffraction intensity measurement and the heavy atom is not introduced. This method determines the phase angle of each diffraction point of a native protein crystal by comparing the diffraction intensity data of the protein (native protein) crystal and analyzes the three-dimensional structure of the protein (Experimental Chemistry Lecture 10, Diffraction , The Chemical Society of Japan, 253-2
60, (1992)). In order to analyze the crystal structure of HCV polymerase by the multiple heavy atom isomorphous replacement method, first, a desired HCV polymerase is produced and purified by the above-described method. In addition, by producing and purifying HCV polymerase by the above-described method in a medium supplemented with selenomethionine instead of Met, HCV polymerase in which the sulfur of Met is replaced by selenium (hereinafter, selenomethionine H) is used.
It may be CV polymerase or selenomethionine heavy atom substitute. ) Was isolated and purified. Here, in the present specification, the HCV polymerase obtained by the addition of Met is sometimes referred to as a native HCV polymerase to distinguish it from the selenomethionine HCV polymerase.

Each crystal is obtained by vapor-diffusing the native HCV polymerase and the selenomethionine HCV polymerase, respectively. Native H
Crystals of CV polymerase are immersed in platinum, uranium and osmium to obtain the respective heavy atom element substitution products. Next, the structural coordinates are obtained by calculating the diffraction intensity of the obtained heavy atom-substituted crystal and calculating the phase angle by the multiple heavy atom isomorphous substitution method. According to the definition of the multiple heavy atom isomorphous substitution method, the structure factor (FPH) from a crystal to which a heavy atom is added and the structure factor (FP) of native crystal data
And the contribution (FH) of the introduced heavy atom has a relationship of FPH = FP + FH for each reflection. | FPH | and | FP | are numerical values obtained from experiments. The position of heavy atoms is determined from these data, and the phase angle of each reflection can be determined by obtaining | FH |. The structure of the HCV polymerase can then be determined by determining the electron density. These calculations are performed by the program software DENZO, S
Helx, MLPHARE, SHARP, DM, O, etc. may be used. In general, it is known that even if the position of each atom in the structure coordinates is slightly changed on a computer, the structure does not significantly change and the activity of the protein is not inactivated. Accordingly, the structural coordinates substantially equivalent to the structural coordinates of the HCV polymerase of the present invention include derivative structural coordinates created by artificially processing using the HCV polymerase structural coordinates. Preferably, when the position of the atom is superimposed on the original structural coordinates, the residual mean square error is ± 0.5 ° or less, more preferably ± 0.2 °.
Includes those fluctuated in the following ranges.

Iii) Determination of the “active site” of HCV polymerase and the “RNA binding cleft at the spatial site inside the palm site” From the three-dimensional structure and the amino acid sequence obtained by analyzing the crystal structure of HCV polymerase, the active site of HCV polymerase was determined. It can be specified or estimated. For these identification and estimation, the amino acid sequence and three-dimensional structure of a polypeptide having a known similar function can be referred to. Further, from the obtained three-dimensional structure, it is possible to estimate a portion that can be a target for inhibiting the activity of HCV polymerase in addition to the active site. In this specification, this part is referred to as a space part inside the palm part. The structural coordinates of HCV polymerase obtained as a result of the structural analysis can be used, for example, as follows. (A) Analyze the crystal structure of the HCV polymerase mutant. (B) Analyze the crystal structure of the co-complex in which the HCV polymerase and the inhibitor are bound. (C) Evaluate the suitability of the test compound for the HCV polymerase active site and / or the space site inside the RNA binding cleft palm site.

Iv) Crystal structure analysis of HCV polymerase mutant or co-complex It is possible to determine the crystal structure of HCV polymerase mutant or co-complex based on the structural coordinates of HCV polymerase shown in Table 2 or Table 3. it can. The co-complex structural coordinates are
This can be important information in improving the quality of the design and evaluation of a compound having compatibility that fits into the active site of HCV polymerase and / or the space site inside the RNA-binding cleft palm site. In the molecular replacement method, the rotation function is calculated from the crystal diffraction intensity data of the HCV polymerase and the HCV polymerase mutant or co-complex to determine the orientation of the molecule, and the translation function (Acta Crystallog) is used.
r. , 23, 544 (1967)) to determine the position of the molecule. This method uses a program software CCP4 (Countil for thecentre).
ral Laboratory of the Res
Arc, CCP4 from erch Councils)
Can be calculated using Almn or the like.

V) Design of a compound having inhibitory activity on HCV polymerase and evaluation of inhibition of inhibitory activity on HCV polymerase activity Since the active site of HCV polymerase is a region where RNA replication is performed, it is structurally regarded as an active site. It is presumed that compounds with compatible compatibility are more likely to inhibit HCV polymerase activity. H in addition to the active site
Moieties that can be targets of CV polymerase activity inhibition, such as compounds that are compatible with RNA binding clefts, are also presumed to indirectly inhibit polymerase activity. The spatial region inside the palm region is not a region involved in RNA replication, but it is considered to be a gap formed when RNA replication is performed, so it is structurally compatible with the spatial region inside the palm region. Are also presumed to indirectly inhibit polymerase activity. The three-dimensional structural information of such an active site and a space site inside the RNA-binding cleft palm site is expressed by HC
It is important in designing and identifying a V polymerase inhibitor using a computer or the like. That is, the active site of HCV polymerase inhibitor and / or
Alternatively, it becomes possible to compare the compatibility with the space site inside the RNA-binding cleft palm site, for example, the binding stability. In addition, it is possible to rationally design a lead compound having compatibility with a space site inside an active site and / or an RNA-binding cleft palm site and a peripheral compound derived therefrom. Furthermore, the possibility of performing useless synthesis in synthesis development is reduced, and actual enzyme evaluation can be performed efficiently. The suitability of the HCV polymerase for the active site and / or the space site inside the RNA-binding cleft palm site can be determined, for example, by using a computer and a virtual screening program such as DOCK4 (manufactured by UCSF) to construct the HCV polymerase structural coordinates and test compound. Enter the structural coordinates of
The state in which the active site of the polymerase and / or the RNA-binding cleft enters the spatial region inside the palm region can be determined as a numerical value or a visual model that is three-dimensionally and energetically stable. In addition, a part of the structural coordinates of HCV polymerase can be used to determine the suitability of a test compound in the same manner. As a virtual screening program, besides DOCK4, FLEXYDOK
(Manufactured by Tripos). The structure coordinates of the test compound may be obtained from a database in which the three-dimensional structure of the chemical substance is registered. Also,
Quanta (manufactured by MSI), Sybyl (Tripo
s) and Insight II (manufactured by MSI), and data obtained by calculating the three-dimensional structure with program software may be used. To evaluate the inhibitory activity of the HCV polymerase inhibitory activity by comparing the suitability of the test compound to the active site of the HCV polymerase thus obtained and / or the space site inside the RNA-binding cleft palm site. Can be. In addition, the inhibitor can be molecularly designed based on the structure of the test compound so as to have compatibility with the space site inside the active site of HCV polymerase and / or the RNA-binding cleft palm site. Such a molecular design is performed by using the above-mentioned program software “Quan”.
ta, Sybyl, Insight II, DOCK
4. It can be performed using FLEXY DOCK or the like.

Vi) Method of Evaluating Actual Inhibitory Activity of HCV Polymerase Activity H evaluated by the virtual screening described above
A compound having compatibility with the active site of CV polymerase and / or RNA binding cleft was obtained, and the obtained compound was converted into HCV in the presence of RNA as a template and ribonucleoside triphosphate (rNTP) as a substrate. It may be brought into contact with a polymerase, and the inhibitory activity against HCV polymerase may be measured.

Hereinafter, the present invention will be described in detail. (Example 1) Native HCV polymerase (NS5
The _B570 ) expressed / purified gene fragment was obtained from pDM22 inserted with HCV-BK type virus cDNA purchased from Osaka University
5BNde1FW (SEQ ID NO: 4) and 5B570H
Using RV (SEQ ID NO: 5), GSHHHHH
A histidine-tagged DNA fragment having the amino acid sequence of H (SEQ ID NO: 2) was obtained. The obtained fragment was inserted into a pCR2.1 vector (manufactured by INVITROGEN), and after confirming the gene sequence, a fragment of about 1.8 kDa was obtained by partial digestion with Nde1 and EcoR1. The obtained fragment was transformed into a vector having a T7 promoter.
Escherichia coli BL21 (DE3) (manufactured by NOVAGEN) was transformed by insertion into the Nde1 and EcoR1 sites of pET17b (manufactured by NOVAGEN). The transformant was cultured in 2xYT medium at 30 ° C, and when OD620 = 0.8-1.0, IPTG (manufactured by Nacalai) was added to a final concentration of 0.5 mM, and the production of the target protein was induced at 30 ° C for 3 hours. Was performed. The resulting culture was disrupted with a microfluidizer, and the soluble fraction was added to Ni-NTA agarose (QI
AGEN) column chromatography and Mono-S 5/5
Perform column chromatography (manufactured by PHARMACIA).
It was isolated and purified by gel filtration using ephacryl S-200 (manufactured by PHARMACIA). When the amino acid sequence of the obtained native HCV polymerase was examined, N-terminal Met was cleaved. The amino acid sequence of the resulting _{NS5B 570} shown in SEQ ID NO: 1. Corresponds to the amino acid sequence at positions 1 to 570 of the amino acid sequence shown in SEQ ID NO: 1 with a histidine tag added. Similarly, primer 5B55
2HRV (SEQ ID NO: 6) than _{NS5B 552,} primer 5B
_{NS5B 544} than 544HRV (SEQ ID NO: 7), primer
5B536HRV (SEQ ID NO: 8) than _{NS5B 536,} NS5B _{5 31} than primer 5B531HRV (SEQ ID NO: 9) to give the _{NS5B 591} from primer 5B591HRV (SEQ ID NO: 10). However, the amino acid sequence of the histidine tag of the resulting _{NS5B 544} was GSHHDHHH. In the purification of NS5B ₅₉₁ containing the natural full-length NS5B, a surfactant (CHAPS) and glycerol are added, and the column operation is performed in the following manner.
In addition to the above, poly (U) -Sepharose4B (PHARMACIA) column chromatography was used. Expression and purification of heavy-substituted selenomethionine substitution A 1.8 kDa fragment obtained from pDM22 was inserted into the Nde1 and EcoR1 sites of pET17b (manufactured by NOVAGEN) in the same manner as in the expression and purification of native HCV polymerase, and E. coli B834 (DE3 ) (NOV
(AGEN) was transformed. The obtained transformant was cultured at 30 ° C. using the selenomethionine replacement medium shown in Table 1 below, and when OD620 = 0.8-1.0, IPTG was added to a final concentration of 0.5 mM, and the mixture was added at 30 ° C. The production of the target protein was induced for 3 hours, and the soluble fraction was purified in the same manner as the native HCV polymerase.

Composition of Medium for Selenomethionine Replacement Amino acids (g / ml) Ala 1.50 Leu 0.70 Arg 1.75 Lys. HCl 1.26 Asp 1.20 Phe 0.40 Cys. HCl / H2O 0.10 Pro 0.30 Glu 2.00 Ser 6.25 Gln 1.00 Thr 0.70 Gly 1.63 Tyr 0.50 His 0.18 Val 0.70 Ile 0.70 Salts (g / ml) Adenosine 1.00 Na-Ac. 3H2O 1.50 Guanosine 1.33 Am-Cl 1.50 Thymine 0.33 NaOH 0.85 Uracil 1.00 K2HPO4 10.50 Succinic acid 3.00 3.00 Metal, selenomethionine, etc. (g / ml) MgSO4.7H20 0.25 glucose 20.00 FeSO4.7H20 0.0042 selenomethionine 0.75 4. Vitamins KAO and MICHAYLUK BASAL VITAMIN solution 10.00 ml / l The selenomethionine heavy atom substitute has the N-terminal Met cleaved like native HCV polymerase.
As a result of LC-MS, all 12 Mets were substituted with selenomethionine.

Example 2 Crystallization of HCV Polymerase Crystals of native HCV polymerase (NS5B ₅₇₀ ) obtained in Example 1 were obtained by a vapor diffusion method.
Specifically, a mixed solution prepared by mixing equal volumes of a protein solution and a precipitant solution, and a precipitant solution are placed in a closed container so that the solutions do not come into contact with each other, and allowed to stand at a constant temperature for 2 to 4 weeks. Obtained by equilibration. The crystallization conditions with good reproducibility are shown below. In order to increase the probability of solution crystal growth, n-Dodecyl-β-D-
A surfactant such as maltoside or n-Octanoylsucrose may be added. Crystallization conditions for NS5B ₅₇₀ Protein solution: A solution in which NS5B ₅₇₀ is dissolved in a 5 mM aqueous solution of DTT (dithiothreitol) to a concentration of 10 ± 5 mg / ml. Precipitant solution: 21-28% (w / v) polyethylene glycol 4
000, 0.2-0.35M ammonium acetate, 0.1M sodium acetate, 0.02M TES (N-tris (Hydroxymethyl) methyl-2-ami
noethanesulfonic acid, pH 6.0-7.5]. Crystallization temperature: 22 ± 2 ° C

Crystallization conditions for NS5B ₅₄₄ Protein solution: A solution in which NS5B ₅₄₄ is dissolved in a 5 mM aqueous solution of DTT (dithiothreitol) to a concentration of 10 ± 3 mg / ml. Precipitant solution: aqueous solution containing 2.0-5.0% (w / v) polyethylene glycol 8000, 5% (v / v) isopropanol, 0.1 M sodium citrate buffer (pH 5.5-6.5). Crystallization temperature: 4 ± 2 ° C. NS5B ₅₄₄ , NS5B
₅₃₆ and NS5B ₅₃₁ crystals were obtained. NS5B
Table 1 shows the crystallographic parameters of ₅₇₀ and NS5B _544.
Shown in ＠. The crystallographic parameters of NS5B ₅₃₆ and NS5B ₅₃₁ were similar to those of NS5B ₅₄₄ .

[0061]

[Table 1]

Example 3 Crystal Structure Analysis of HCV Polymerase Crystals of native HCV polymerase (NS5B ₅₇₀ ) were immersed in a precipitant solution containing the heavy atoms of platinum, uranium or osmium under the crystallization conditions of NS5B ₅₇₀ described above. Each heavy atom substitution product was obtained. Selenomethionine HCV polymerase was also crystallized by vapor diffusion. The resulting native HCV polymerase (NS
_5B570 ), a heavy metal substitution product of platinum, a heavy atom substitution product of uranium, a heavy atom substitution product of osmium, and a selenomethionine HCV polymerase. , SPrin
Diffraction intensity was measured using BL-8X45 of g-8 to determine diffraction intensity. The X-ray data of the platinum heavy atom substitution product, the uranium heavy atom substitution product and the osmium heavy atom substitution product were obtained by using the program software DENSO (HKL) and the program software CCP4 (Council for the C).
central Laboratory of the
Scala, F of Research Councils
HSCAL, treated with SCALEIT, by combining the scale against the native HCV polymerase _{(NS5B 570)} crystal diffraction intensity, was comparable diffraction intensity to each other. The first heavy atom positions are uranium heavy atom replacement, osmium heavy atom replacement, native HC
V-Polymer (NS5B ₅₇₀ ) crystal data from the program software Shelex (Professor Sh)
eldrick; Crystalgraphic
Computing 3, Claradon Pre
ss, Oxford 184-189 (1985))
Was determined. Then, the program software MLPHARE and SHARP (Laborator) in CCP4
Using y of Molecular Biology), the precise position of each heavy atom was determined and the initial phase angle was calculated. Next, the first phase improvement and the phase extension up to 2.5 ° were calculated using the program software DM in CCP4, and a Fourier map was created. Selenomethionine HCV polymerase (NS5B ₅₇₀ ) has 12 Me in the corresponding amino acid sequence shown in SEQ ID NO: 1.
t is replaced by selenomethionine. For this selenomethionine HCV polymerase, a difference free map was created using the phase determined above. X-ray wavelength λ where 11 peaks corresponding to selenium atoms were confirmed
= 1.0400 ° diffraction data and λ =
A difference Fourier map of the diffraction intensity data measured at 0.9797 ° was used as a guide for structure determination. Based on the obtained Fourier map, program software O (DatO
The structure of HCV polymerase was determined by no AB). Next, the refinement was performed using the program software X-PLOR9.
8 (MSI) torsion angle (torsion angle)
e) or maximum likelihood refinement (maximum like
Ellihood refinement). Program software PROCHECK (J. App
l.Cryst. 26, 283-290 (1993))
Ramachandran Plot by Ramachan
As a result, no amino acid residue having an unacceptable structure was found. Table 2 shows structural coordinates
Shown in The meaning of each symbol in the table will be described. (Atom type: In order from the left, the serial number of the atom included in the coordinates, the type of atom and its position in the amino acid, the type of amino acid containing the atom, the number: the residue number of the amino acid containing the atom, X, Y and Z: atomic coordinates, Occ: occupancy, B: temperature factor) Also, NS5B ₅₄₄ , N obtained by the molecular replacement method
Table 3 shows the structural coordinates of NS5B ₅₄₄ in S5B ₅₃₆ and NS5B ₅₃₁ . Note that NS5B ₅₃₆ and NS5B
The structural coordinates of 5B ₅₃₁ were similar to those shown in Table 3.

[0063]

[Table 2] Table 2 Atomic type No. X Y Z Occ B Atom 1 CB SER 1 24. 595 6. 355 -7. 700 1. 00 14. 36 atoms 2 OG SER 1 24. 403 6. 849 -6. 395 1. 00 33. 57 atoms 3 C SER 1 24. 205 3. 980 -7. 261 1. 00 18. 80 atoms 4 O SER 1 23. 777 3. 593 -6. 173 1. 00 22. 06 atom 5 N SER 1 22. 311 5. 540 -7. 354 1. 00 17. 96 atoms 6 CA SER 1 23. 641 5. 209 -7. 924 1. 00 16. 04 atom 7 N MET 2 25. 181 3. 368 -7. 917 1. 00 19. 98 atoms 8 CA MET 2 25. 812 2. 175 -7. 382 1. 00 17. 12 atoms 9 CB MET 2 26. 317 1. 276 -8. 522 1. 00 14. 48 atoms 10 CG MET 2 25. 215 0. 731 -9. 392 1. 00 12. 07 atom 11 SD MET 2 24. 201 -0. 549 -8. 622 1. 00 14. 36 atoms 12 CE MET 2 25. 522 -1. 728 -8. 316 1. 00 15. 13 atoms 13 C MET 2 26. 976 2. 612 -6. 501 1. 00 16. 76 atoms 14 O MET 2 27. 731 3. 510 -6. 858 1. 00 19. 33 atom 15 N SER 3 27. 092 1. 988 -5. 341 1. 00 16. 24 atoms 16 CA SER 3 28. 172 2. 277 -4. 411 1. 00 15. 30 atoms 17 CB SER 3 28. 103 1. 275 -3. 252 1. 00 10. 19 atoms 18 OG SER 3 28. 201 -0. 061 -3. 723 1. 00 12. 95 atoms 19 C SER 3 29. 522 2. 145 -5. 150 1. 00 14. 45 atoms 20 O SER 3 30. 470 2. 880 -4. 885 1. 00 13. 89 atoms 21 N TYR 4 29. 593 1. 196 -6. 075 1. 00 14. 55 atoms 22 CA TYR 4 30. 808 0. 968 -6. 849 1. 00 19. 90 atoms 23 CB TYR 4 31. 730 -0. 024 -6. 161 1. 00 23. 29 atoms 24 CG TYR 4 32. 040 0. 242 -4. 734 1. 00 25. 80 atoms 25 CD1 TYR 4 31. 257 -0. 317 -3. 714 1. 00 23. 72 atoms 26 CE1 TYR 4 31. 615 -0. 171 -2. 388 1. 00 23. 05 atom 27 CD2 TYR 4 33. 180 0. 958 -4. 387 1. 00 23. 13 atoms 28 CE2 TYR 4 33. 542 1. 108 -3. 067 1. 00 26. 87 atoms 29 CZ TYR 4 32. 760 0. 533 -2. 075 1. 00 23. 63 atoms 30 OH TYR 4 33. 171 0. 637 -0. 772 1. 00 29. 59 atoms 31 C TYR 4 30. 620 0. 399 -8. 248 1. 00 16. 78 atoms 32 O TYR 4 29. 610 -0. 230 -8. 578 1. 00 12. 24 atoms 33 N THR 5 31. 653 0. 599 -9. 048 1. 00 16. 02 atom 34 CA THR 5 31. 695 0. 049 -10. 381 1. 00 18. 47 atoms 35 CB THR 5 31. 527 1. 110 -11. 463 1. 00 18. 54 atoms 36 OG1 THR 5 30. 136 1. 399 -11. 615 1. 00 14. 33 atoms 37 CG2 THR 5 32. 067 0. 600 -12. 796 1. 00 21. 94 atoms 38 C THR 5 33. 076 -0. 534 -10. 449 1. 00 16. 89 atoms 39 O THR 5 34. 049 0. 146 -10. 159 1. 00 21. 07 atoms 40 N TRP 6 33. 168 -1. 803 -10. 811 1. 00 17. 19 atoms 41 CA TRP 6 34. 469 -2. 441 -10. 892 1. 00 15. 52 atoms 42 CB TRP 6 34. 434 -3. 740 -10. 096 1. 00 13. 26 atoms 43 CG TRP 6 33. 924 -3. 575 -8. 682 1. 00 14. 65 atoms 44 CD2 TRP 6 34. 619 -2. 966 -7. 586 1. 00 7. 71 atoms 45 CE2 TRP 6 33. 795 -3. 085 -6. 448 1. 00 13. 81 atoms 46 CE3 TRP 6 35. 860 -2. 328 -7. 459 1. 00 12. 05 atom 47 CD1 TRP 6 32. 734 -4. 026 -8. 178 1. 00 14. 49 atoms 48 NE1 TRP 6 32. 653 -3. 737 -6. 831 1. 00 18. 73 atoms 49 CZ2 TRP 6 34. 171 -2. 597 -5. 202 1. 00 14. 72 atoms 50 CZ3 TRP 6 36. 238 -1. 839 -6. 220 1. 00 13. 25 atoms 51 CH2 TRP 6 35. 392 -1. 976 -5. 105 1. 00 15. 70 atoms 52 C TRP 6 34. 900 -2. 736 -12. 330 1. 00 17. 14 atoms 53 O TRP 6 34. 073 -3. 074 -13. 171 1. 00 12. 10 atoms 54 N THR 7 36. 190 -2. 577 -12. 616 1. 00 19. 22 atoms 55 CA THR 7 36. 697 -2. 923 -13. 936 1. 00 19. 75 atoms 56 CB THR 7 38. 062 -2. 269 -14. 251 1. 00 18. 95 atoms 57 OG1 THR 7 39. 045 -2. 708 -13. 301 1. 00 11. 09 atom 58 CG2 THR 7 37. 945 -0. 729 -14. 230 1. 00 7. 76 atoms 59 C THR 7 36. 890 -4. 426 -13. 763 1. 00 27. 76 atoms 60 O THR 7 35. 956 -5. 142 -13. 383 1. 00 30. 65 atoms 61 N GLY 8 38. 092 -4. 919 -14. 005 1. 00 32. 30 atoms 62 CA GLY 8 38. 318 -6. 348 -13. 830 1. 00 30. 63 atoms 63 C GLY 8 39. 469 -6. 601 -12. 880 1. 00 25. 34 atoms 64 O GLY 8 39. 624 -7. 688 -12. 327 1. 00 26. 59 atoms 65 N ALA 9 40. 259 -5. 555 -12. 692 1. 00 18. 42 atoms 66 CA ALA 9 41. 429 -5. 567 -11. 852 1. 00 20. 57 atoms 67 CB ALA 9 41. 998 -4. 159 -11. 757 1. 00 21. 71 atoms 68 C ALA 9 41. 237 -6. 140 -10. 454 1. 00 25. 44 atoms 69 O ALA 9 40. 258 -5. 864 -9. 739 1. 00 28. 28 atoms 70 N LEU 10 42. 212 -6. 942 -10. 074 1. 00 23. 65 atoms 71 CA LEU 10 42. 230 -7. 567 -8. 784 1. 00 24. 29 atoms 72 CB LEU 10 43. 171 -8. 770 -8. 827 1. 00 23. 79 atoms 73 CG LEU 10 42. 615 -10. 071 -9. 422 1. 00 21. 37 atoms 74 CD1 LEU 10 42. 033 -10. 895 -8. 285 1. 00 22. 12 atoms 75 CD2 LEU 10 41. 549 -9. 790 -10. 488 1. 00 20. 05 atom 76 C LEU 10 42. 778 -6. 525 -7. 840 1. 00 26. 02 atom 77 O LEU 10 43. 620 -5. 716 -8. 243 1. 00 26. 63 atoms 78 N ILE 11 42. 290 -6. 503 -6. 601 1. 00 26. 01 atom 79 CA ILE 11 42. 839 -5. 557 -5. 647 1. 00 24. 74 atoms 80 CB ILE 11 41. 995 -5. 462 -4. 382 1. 00 25. 59 atoms 81 CG2 ILE 11 42. 515 -4. 345 -3. 515 1. 00 26. 49 atoms 82 CG1 ILE 11 40. 528 -5. 217 -4. 745 1. 00 30. 67 atoms 83 CD1 ILE 11 40. 185 -3. 786 -4. 986 1. 00 26. 57 atoms 84 C ILE 11 44. 172 -6. 226 -5. 341 1. 00 23. 05 atom 85 O ILE 11 44. 216 -7. 424 -5. 107 1. 00 21. 67 atoms 86 N THR 12 45. 262 -5. 475 -5. 368 1. 00 24. 58 atoms 87 CA THR 12 46. 565 -6. 085 -5. 145 1. 00 25. 76 atoms 88 CB THR 12 47. 490 -5. 739 -6. 291 1. 00 22. 73 atoms 89 OG1 THR 12 47. 462 -4. 324 -6. 502 1. 00 22. 66 atoms 90 CG2 THR 12 47. 039 -6. 450 -7. 548 1. 00 19. 62 atoms 91 C THR 12 47. 300 -5. 754 -3. 857 1. 00 26. 55 atoms 92 O THR 12 47. 194 -4. 652 -3. 335 1. 00 27. 29 atoms 93 N PRO 13 48. 059 -6. 726 -3. 330 1. 00 31. 02 atom 94 CD PRO 13 48. 217 -8. 089 -3. 879 1. 00 32. 32 atoms 95 CA PRO 13 48. 829 -6. 543 -2. 096 1. 00 30. 95 atoms 96 CB PRO 13 49. 042 -7. 965 -1. 601 1. 00 27. 26 atoms 97 CG PRO 13 49. 111 -8. 774 -2. 864 1. 00 31. 67 atoms 98 C PRO 13 50. 152 -5. 855 -2. 417 1. 00 34. 84 atoms 99 O PRO 13 50. 739 -6. 101 -3. 471 1. 00 29. 50 atoms 100 N CYS 14 50. 613 -4. 986 -1. 520 1. 00 39. 99 atoms 101 CA CYS 14 51. 891 -4. 302 -1. 727 1. 00 42. 73 atoms 102 CB CYS 14 51. 794 -2. 816 -1. 347 1. 00 44. 03 atom 103 SG CYS 14 50. 790 -2. 471 0. 117 1. 00 45. 82 atoms 104 C CYS 14 52. 956 -4. 973 -0. 868 1. 00 44. 38 atoms 105 O CYS 14 54. 141 -5. 004 -1. 220 1. 00 46. 34 atoms 106 N ALA 15 52. 518 -5. 514 0. 264 1. 00 45. 12 atoms 107 CA ALA 15 53. 422 -6. 178 1. 198 1. 00 44. 03 atom 108 CB ALA 15 53. 231 -5. 608 2. 608 1. 00 40. 66 atoms 109 C ALA 15 53. 183 -7. 677 1. 216 1. 00 42. 16 atoms 110 O ALA 15 52. 165 -8. 170 0. 713 1. 00 40. 93 atoms 111 N ALA 16 54. 144 -8. 410 1. 765 1. 00 36. 85 atoms 112 CA ALA 16 53. 971 -9. 837 1. 884 1. 00 32. 86 atoms 113 CB ALA 16 55. 234 -10. 469 2. 415 1. 00 26. 99 atoms 114 C ALA 16 52. 868 -9. 874 2. 934 1. 00 33. 29 atoms 115 O ALA 16 52. 869 -9. 064 3. 862 1. 00 37. 11 atoms 116 N GLU 17 51. 898 -10. 760 2. 785 1. 00 32. 39 atoms 117 CA GLU 17 50. 851 -10. 833 3. 789 1. 00 26. 32 atoms 118 CB GLU 17 49. 513 -10. 306 3. 265 1. 00 30. 86 atoms 119 CG GLU 17 49. 528 -9. 677 1. 895 1. 00 29. 77 atoms 120 CD GLU 17 48. 157 -9. 707 1. 254 1. 00 33. 50 atoms 121 OE1 GLU 17 47. 415 -8. 711 1. 424 1. 00 32. 53 atoms 122 OE2 GLU 17 47. 819 -10. 723 0. 595 1. 00 32. 84 atoms 123 C GLU 17 50. 679 -12. 255 4. 276 1. 00 24. 51 atoms 124 O GLU 17 50. 514 -13. 188 3. 485 1. 00 16. 59 atoms 125 N GLU 18 50. 739 -12. 385 5. 600 1. 00 26. 82 atoms 126 CA GLU 18 50. 604 -13. 643 6. 320 1. 00 27. 85 atoms 127 CB GLU 18 51. 444 -13. 571 7. 589 1. 00 34. 84 atoms 128 CG GLU 18 52. 921 -13. 830 7. 394 1. 00 42. 40 atoms 129 CD GLU 18 53. 516 -14. 582 8. 566 1. 00 45. 99 atoms 130 OE1 GLU 18 54. 476 -14. 061 9. 171 1. 00 45. 15 atoms 131 OE2 GLU 18 53. 013 -15. 692 8. 880 1. 00 44. 59 atoms 132 C GLU 18 49. 151 -13. 868 6. 708 1. 00 29. 21 atom 133 O GLU 18 48. 451 -12. 931 7. 085 1. 00 28. 56 atoms 134 N SER 19 48. 694 -15. 111 6. 668 1. 00 31. 66 atoms 135 CA SER 19 47. 304 -15. 374 7. 022 1. 00 33. 52 atoms 136 CB SER 19 46. 517 -15. 684 5. 751 1. 00 31. 74 atoms 137 OG SER 19 47. 196 -16. 652 4. 981 1. 00 28. 18 atoms 138 C SER 19 47. 120 -16. 510 8. 036 1. 00 36. 81 atoms 139 O SER 19 46. 005 -16. 787 8. 491 1. 00 37. 53 atoms 140 N LYS 20 48. 215 -17. 175 8. 379 1. 00 37. 96 atoms 141 CA LYS 20 48. 176 -18. 280 9. 330 1. 00 34. 72 atoms 142 CB LYS 20 48. 764 -19. 534 8. 677 1. 00 34. 98 atoms 143 CG LYS 20 47. 728 -20. 526 8. 181 1. 00 37. 63 atoms 144 CD LYS 20 48. 233 -21. 968 8. 303 1. 00 45. 68 atoms 145 CE LYS 20 49. 654 -22. 140 7. 741 1. 00 50. 03 atom 146 NZ LYS 20 49. 751 -23. 135 6. 616 1. 00 51. 95 atoms 147 C LYS 20 49. 004 -17. 877 10. 550 1. 00 34. 35 atoms 148 O LYS 20 50. 126 -17. 384 10. 398 1. 00 34. 45 atoms 149 N LEU 21 48. 463 -18. 070 11. 751 1. 00 33. 05 Atomic 150 CA LEU 21 49. 199 -17. 693 12. 962 1. 00 32. 36 atoms 151 CB LEU 21 48. 537 -18. 280 14. 226 1. 00 35. 12 atoms 152 CG LEU 21 49. 026 -17. 899 15. 644 1. 00 28. 57 atoms 153 CD1 LEU 21 50. 301 -17. 098 15. 601 1. 00 29. 37 atoms 154 CD2 LEU 21 47. 943 -17. 094 16. 349 1. 00 27. 17 atoms 155 C LEU 21 50. 638 -18. 181 12. 883 1. 00 29. 79 atoms 156 O LEU 21 50. 882 -19. 388 12. 784 1. 00 26. 13 atoms 157 N PRO 22 51. 600 -17. 237 12. 889 1. 00 30. 54 atoms 158 CD PRO 22 51. 282 -15. 800 12. 861 1. 00 31. 66 atoms 159 CA PRO 22 53. 052 -17. 454 12. 832 1. 00 32. 01 atom 160 CB PRO 22 53. 629 -16. 041 12. 738 1. 00 33. 70 atoms 161 CG PRO 22 52. 499 -15. 210 12. 205 1. 00 30. 75 atoms 162 C PRO 22 53. 593 -18. 209 14. 041 1. 00 35. 09 atom 163 O PRO 22 54. 678 -17. 897 14. 540 1. 00 39. 45 atoms 164 N ILE 23 52. 802 -19. 184 14. 496 1. 00 33. 92 atoms 165 CA ILE 23 53. 081 -20. 079 15. 616 1. 00 29. 63 atoms 166 CB ILE 23 52. 899 -21. 539 15. 135 1. 00 32. 30 atoms 167 CG2 ILE 23 54. 222 -22. 295 15. 156 1. 00 33. 90 atoms 168 CG1 ILE 23 51. 835 -22. 229 15. 979 1. 00 31. 35 atoms 169 CD1 ILE 23 51. 895 -23. 740 15. 884 1. 00 35. 04 atom 170 C ILE 23 54. 440 -19. 889 16. 298 1. 00 32. 72 atoms 171 O ILE 23 55. 500 -20. 012 15. 682 1. 00 29. 52 atoms 172 N ASN 24 54. 393 -19. 605 17. 595 1. 00 37. 99 atoms 173 CA ASN 24 55. 606 -19. 343 18. 359 1. 00 39. 02 atom 174 CB ASN 24 55. 800 -17. 845 18. 534 1. 00 37. 86 atoms 175 CG ASN 24 57. 203 -17. 430 18. 268 1. 00 41. 03 atom 176 OD1 ASN 24 58. 004 -18. 220 17. 745 1. 00 37. 66 atoms 177 ND2 ASN 24 57. 532 -16. 187 18. 620 1. 00 38. 75 atoms 178 C ASN 24 55. 628 -19. 937 19. 735 1. 00 39. 37 atoms 179 O ASN 24 54. 584 -20. 238 20. 304 1. 00 41. 52 atoms 180 N ALA 25 56. 838 -20. 069 20. 273 1. 00 39. 67 atoms 181 CA ALA 25 57. 032 -20. 577 21. 622 1. 00 37. 68 atoms 182 CB ALA 25 58. 497 -20. 452 22. 028 1. 00 42. 61 atoms 183 C ALA 25 56. 180 -19. 693 22. 506 1. 00 33. 96 atoms 184 O ALA 25 55. 320 -20. 172 23. 241 1. 00 35. 81 atoms 185 N LEU 26 56. 426 -18. 394 22. 410 1. 00 30. 24 atoms 186 CA LEU 26 55. 694 -17. 405 23. 185 1. 00 29. 54 atoms 187 CB LEU 26 56. 256 -16. 005 22. 926 1. 00 26. 07 atom 188 CG LEU 26 57. 616 -15. 608 23. 523 1. 00 25. 12 atoms 189 CD1 LEU 26 57. 466 -14. 286 24. 238 1. 00 26. 71 atoms 190 CD2 LEU 26 58. 140 -16. 676 24. 475 1. 00 25. 70 atoms 191 C LEU 26 54. 216 -17. 412 22. 854 1. 00 32. 07 atom 192 O LEU 26 53. 381 -17. 282 23. 747 1. 00 39. 46 atoms 193 N SER 27 53. 886 -17. 573 21. 576 1. 00 33. 97 atoms 194 CA SER 27 52. 490 -17. 565 21. 148 1. 00 34. 97 atoms 195 CB SER 27 52. 411 -17. 627 19. 619 1. 00 38. 54 atoms 196 OG SER 27 51. 508 -18. 642 19. 187 1. 00 42. 65 atoms 197 C SER 27 51. 726 -18. 735 21. 752 1. 00 36. 47 atoms 198 O SER 27 50. 501 -18. 707 21. 868 1. 00 34. 83 atoms 199 N ASN 28 52. 460 -19. 764 22. 150 1. 00 37. 51 atoms 200 CA ASN 28 51. 835 -20. 944 22. 713 1. 00 38. 99 atoms 201 CB ASN 28 52. 682 -22. 177 22. 421 1. 00 46. 35 atoms 202 CG ASN 28 51. 850 -23. 328 21. 928 1. 00 51. 03 atom 203 OD1 ASN 28 50. 703 -23. 134 21. 530 1. 00 53. 49 atoms 204 ND2 ASN 28 52. 409 -24. 535 21. 956 1. 00 55. 66 atoms 205 C ASN 28 51. 639 -20. 788 24. 201 1. 00 37. 33 atoms 206 O ASN 28 50. 889 -21. 533 24. 834 1. 00 31. 98 atoms 207 N SER 29 52. 333 -19. 818 24. 771 1. 00 37. 14 atoms 208 CA SER 29 52. 176 -19. 579 26. 188 1. 00 35. 88 atoms 209 CB SER 29 53. 123 -18. 461 26. 638 1. 00 33. 82 atoms 210 OG SER 29 52. 498 -17. 580 27. 564 1. 00 34. 09 atom 211 C SER 29 50. 712 -19. 158 26. 376 1. 00 33. 85 atoms 212 O SER 29 50. 021 -19. 629 27. 282 1. 00 36. 33 atoms 213 N LEU 30 50. 239 -18. 319 25. 460 1. 00 28. 11 atoms 214 CA LEU 30 48. 890 -17. 763 25. 505 1. 00 23. 92 atoms 215 CB LEU 30 48. 927 -16. 376 24. 859 1. 00 14. 38 atoms 216 CG LEU 30 47. 593 -15. 690 24. 700 1. 00 11. 04 atom 217 CD1 LEU 30 46. 961 -15. 499 26. 069 1. 00 12. 59 atoms 218 CD2 LEU 30 47. 795 -14. 352 23. 974 1. 00 13. 47 atoms 219 C LEU 30 47. 731 -18. 557 24. 900 1. 00 24. 67 atoms 220 O LEU 30 46. 758 -18. 876 25. 586 1. 00 20. 27 atoms 221 N LEU 31 47. 830 -18. 840 23. 604 1. 00 25. 98 atoms 222 CA LEU 31 46. 793 -19. 557 22. 864 1. 00 26. 72 atoms 223 CB LEU 31 46. 387 -18. 738 21. 643 1. 00 28. 09 atom 224 CG LEU 31 44. 953 -18. 895 21. 141 1. 00 31. 75 atoms 225 CD1 LEU 31 44. 349 -17. 513 20. 889 1. 00 31. 47 atoms 226 CD2 LEU 31 44. 944 -19. 712 19. 870 1. 00 30. 70 atoms 227 C LEU 31 47. 341 -20. 886 22. 406 1. 00 27. 45 atoms 228 O LEU 31 48. 538 -21. 007 22. 198 1. 00 37. 06 atom 229 N ARG 32 46. 485 -21. 880 22. 222 1. 00 27. 60 atoms 230 CA ARG 32 46. 963 -23. 188 21. 796 1. 00 31. 35 atoms 231 CB ARG 32 46. 750 -24. 208 22. 917 1. 00 33. 85 atoms 232 CG ARG 32 46. 668 -25. 659 22. 465 1. 00 44. 85 atoms 233 CD ARG 32 46. 596 -26. 609 23. 663 1. 00 51. 74 atoms 234 NE ARG 32 47. 614 -26. 290 24. 667 1. 00 56. 45 atoms 235 CZ ARG 32 48. 617 -27. 098 25. 014 1. 00 59. 99 atoms 236 NH1 ARG 32 48. 751 -28. 290 24. 443 1. 00 60. 21 atoms 237 NH2 ARG 32 49. 498 -26. 711 25. 932 1. 00 61. 46 atoms 238 C ARG 32 46. 330 -23. 700 20. 502 1. 00 33. 99 atoms 239 O ARG 32 46. 925 -24. 524 19. 809 1. 00 38. 04 atom 240 N HIS 33 45. 139 -23. 213 20. 173 1. 00 30. 07 atom 241 CA HIS 33 44. 442 -23. 641 18. 967 1. 00 29. 00 atom 242 CB HIS 33 42. 953 -23. 794 19. 268 1. 00 23. 73 atoms 243 CG HIS 33 42. 637 -24. 892 20. 233 1. 00 27. 12 atoms 244 CD2 HIS 33 43. 436 -25. 784 20. 868 1. 00 25. 66 atoms 245 ND1 HIS 33 41. 346 -25. 199 20. 613 1. 00 22. 82 atoms 246 CE1 HIS 33 41. 365 -26. 233 21. 434 1. 00 23. 60 atoms 247 NE2 HIS 33 42. 621 -26. 608 21. 604 1. 00 24. 43 atoms 248 C HIS 33 44. 637 -22. 637 17. 821 1. 00 34. 47 atoms 249 O HIS 33 43. 676 -22. 232 17. 172 1. 00 35. 26 atoms 250 N HIS 34 45. 886 -22. 255 17. 572 1. 00 37. 29 atoms 251 CA HIS 34 46. 250 -21. 284 16. 533 1. 00 40. 45 atoms 252 CB HIS 34 47. 761 -21. 260 16. 385 1. 00 43. 17 atoms 253 CG HIS 34 48. 333 -22. 600 16. 057 1. 00 48. 92 atoms 254 CD2 HIS 34 48. 895 -23. 078 14. 922 1. 00 49. 02 atom 255 ND1 HIS 34 48. 309 -23. 654 16. 945 1. 00 53. 07 atom 256 CE1 HIS 34 48. 830 -24. 724 16. 373 1. 00 50. 31 atom 257 NE2 HIS 34 49. 194 -24. 399 15. 145 1. 00 53. 13 atoms 258 C HIS 34 45. 649 -21. 494 15. 141 1. 00 40. 69 atoms 259 O HIS 34 45. 682 -20. 591 14. 310 1. 00 42. 64 atoms 260 N ASN 35 45. 130 -22. 681 14. 866 1. 00 40. 62 atoms 261 CA ASN 35 44. 558 -22. 921 13. 556 1. 00 41. 61 atoms 262 CB ASN 35 44. 420 -24. 420 13. 298 1. 00 39. 60 atoms 263 CG ASN 35 45. 736 -25. 055 12. 878 1. 00 42. 24 atoms 264 OD1 ASN 35 46. 077 -26. 152 13. 323 1. 00 45. 01 atom 265 ND2 ASN 35 46. 488 -24. 362 12. 024 1. 00 39. 61 atoms 266 C ASN 35 43. 217 -22. 224 13. 382 1. 00 41. 88 atoms 267 O ASN 35 42. 741 -22. 079 12. 261 1. 00 48. 58 atoms 268 N MET 36 42. 617 -21. 790 14. 487 1. 00 39. 02 Atom 269 CA MET 36 41. 331 -21. 085 14. 466 1. 00 34. 47 atoms 270 CB MET 36 40. 600 -21. 250 15. 789 1. 00 38. 00 atom 271 CG MET 36 40. 788 -22. 577 16. 439 1. 00 38. 32 atoms 272 SD MET 36 39. 272 -23. 491 16. 413 1. 00 43. 98 atoms 273 CE MET 36 38. 050 -22. 269 15. 969 1. 00 37. 20 atoms 274 C MET 36 41. 542 -19. 599 14. 266 1. 00 33. 18 atoms 275 O MET 36 40. 592 -18. 848 14. 059 1. 00 33. 83 atoms 276 N VAL 37 42. 795 -19. 180 14. 357 1. 00 28. 33 atoms 277 CA VAL 37 43. 134 -17. 785 14. 222 1. 00 30. 04 atom 278 CB VAL 37 44. 152 -17. 391 15. 307 1. 00 30. 45 atoms 279 CG1 VAL 37 44. 675 -15. 980 15. 061 1. 00 33. 10 atoms 280 CG2 VAL 37 43. 487 -17. 485 16. 676 1. 00 27. 52 atoms 281 C VAL 37 43. 686 -17. 529 12. 834 1. 00 32. 08 atom 282 O VAL 37 44. 552 -18. 254 12. 351 1. 00 34. 38 atoms 283 N TYR 38 43. 171 -16. 498 12. 182 1. 00 33. 37 atoms 284 CA TYR 38 43. 610 -16. 178 10. 831 1. 00 32. 41 atom 285 CB TYR 38 42. 694 -16. 839 9. 805 1. 00 31. 04 Atomic 286 CG TYR 38 41. 321 -16. 218 9. 757 1. 00 28. 60 atoms 287 CD1 TYR 38 41. 058 -15. 127 8. 934 1. 00 28. 40 atoms 288 CE1 TYR 38 39. 777 -14. 582 8. 838 1. 00 27. 52 atoms 289 CD2 TYR 38 40. 272 -16. 746 10. 498 1. 00 27. 69 atoms 290 CE2 TYR 38 38. 988 -16. 207 10. 408 1. 00 26. 54 atoms 291 CZ TYR 38 38. 753 -15. 129 9. 574 1. 00 28. 08 atom 292 OH TYR 38 37. 487 -14. 617 9. 456 1. 00 33. 47 atoms 293 C TYR 38 43. 611 -14. 691 10. 571 1. 00 30. 86 atoms 294 O TYR 38 43. 168 -13. 895 11. 404 1. 00 29. 91 atoms 295 N ALA 39 44. 085 -14. 331 9. 384 1. 00 26. 58 atoms 296 CA ALA 39 44. 150 -12. 939 8. 993 1. 00 26. 36 atoms 297 CB ALA 39 45. 583 -12. 441 9. 077 1. 00 21. 23 atoms 298 C ALA 39 43. 596 -12. 759 7. 582 1. 00 30. 17 atoms 299 O ALA 39 43. 787 -13. 615 6. 708 1. 00 29. 35 atoms 300 N THR 40 42. 886 -11. 651 7. 384 1. 00 30. 81 atoms 301 CA THR 40 42. 303 -11. 328 6. 101 1. 00 31. 04 atom 302 CB THR 40 41. 198 -10. 268 6. 229 1. 00 30. 42 atoms 303 OG1 THR 40 41. 743 -9. 070 6. 790 1. 00 29. 82 atoms 304 CG2 THR 40 40. 065 -10. 778 7. 099 1. 00 20. 31 atoms 305 C THR 40 43. 402 -10. 782 5. 201 1. 00 33. 39 atoms 306 O THR 40 44. 283 -10. 055 5. 659 1. 00 36. 59 atoms 307 N THR 41 43. 330 -11. 144 3. 923 1. 00 33. 19 atoms 308 CA THR 41 44. 296 -10. 735 2. 915 1. 00 31. 53 atoms 309 CB THR 41 45. 318 -11. 858 2. 642 1. 00 34. 00 atom 310 OG1 THR 41 44. 629 -13. 042 2. 214 1. 00 33. 52 atoms 311 CG2 THR 41 46. 105 -12. 178 3. 904 1. 00 37. 37 atoms 312 C THR 41 43. 586 -10. 420 1. 598 1. 00 32. 18 atoms 313 O THR 41 42. 345 -10. 474 1. 518 1. 00 28. 34 atoms 314 N SER 42 44. 395 -10. 097 0. 584 1. 00 30. 60 atoms 315 CA SER 42 43. 950 -9. 755 -0. 776 1. 00 28. 87 atoms 316 CB SER 42 45. 160 -9. 587 -1. 682 1. 00 30. 94 atoms 317 OG SER 42 45. 386 -8. 232 -1. 985 1. 00 41. 09 atom 318 C SER 42 43. 078 -10. 838 -1. 386 1. 00 25. 21 atoms 319 O SER 42 41. 975 -10. 598 -1. 859 1. 00 21. 53 atoms 320 N ARG 43 43. 598 -12. 049 -1. 366 1. 00 25. 12 atoms 321 CA ARG 43 42. 898 -13. 187 -1. 922 1. 00 24. 36 atoms 322 CB ARG 43 43. 474 -14. 464 -1. 307 1. 00 22. 07 atom 323 CG ARG 43 44. 756 -14. 920 -1. 980 1. 00 35. 37 atoms 324 CD ARG 43 45. 876 -15. 237 -0. 980 1. 00 43. 28 atoms 325 NE ARG 43 46. 643 -16. 436 -1. 347 1. 00 45. 15 atoms 326 CZ ARG 43 47. 970 -16. 484 -1. 484 1. 00 47. 79 atoms 327 NH1 ARG 43 48. 717 -15. 403 -1. 289 1. 00 48. 79 atoms 328 NH2 ARG 43 48. 557 -17. 623 -1. 826 1. 00 49. 62 atoms 329 C ARG 43 41. 372 -13. 147 -1. 756 1. 00 21. 27 atoms 330 O ARG 43 40. 642 -13. 709 -2. 575 1. 00 21. 29 atoms 331 N SER 44 40. 892 -12. 478 -0. 707 1. 00 21. 05 atom 332 CA SER 44 39. 455 -12. 409 -0. 431 1. 00 17. 85 atoms 333 CB SER 44 39. 181 -12. 682 1. 068 1. 00 18. 70 atoms 334 OG SER 44 39. 495 -11. 568 1. 885 1. 00 24. 38 atoms 335 C SER 44 38. 798 -11. 105 -0. 868 1. 00 9. 35 atoms 336 O SER 44 37. 582 -11. 024 -0. 926 1. 00 8. 69 atoms 337 N ALA 45 39. 612 -10. 101 -1. 170 1. 00 6. 77 atoms 338 CA ALA 45 39. 136 -8. 794 -1. 635 1. 00 12. 00 atom 339 CB ALA 45 40. 271 -8. 062 -2. 347 1. 00 10. 65 atoms 340 C ALA 45 37. 948 -8. 906 -2. 595 1. 00 16. 23 atoms 341 O ALA 45 37. 045 -8. 069 -2. 600 1. 00 24. 10 atoms 342 N GLY 46 37. 978 -9. 928 -3. 437 1. 00 19. 30 atoms 343 CA GLY 46 36. 913 -10. 115 -4. 391 1. 00 19. 54 atoms 344 C GLY 46 35. 587 -10. 419 -3. 738 1. 00 20. 90 atoms 345 O GLY 46 34. 567 -9. 860 -4. 135 1. 00 23. 71 atoms 346 N LEU 47 35. 592 -11. 319 -2. 755 1. 00 22. 91 atoms 347 CA LEU 47 34. 369 -11. 688 -2. 058 1. 00 19. 97 atoms 348 CB LEU 47 34. 678 -12. 655 -0. 931 1. 00 23. 98 atoms 349 CG LEU 47 34. 891 -14. 108 -1. 336 1. 00 27. 07 atom 350 CD1 LEU 47 36. 076 -14. 203 -2. 281 1. 00 26. 74 atoms 351 CD2 LEU 47 35. 114 -14. 946 -0. 092 1. 00 23. 16 atoms 352 C LEU 47 33. 739 -10. 428 -1. 484 1. 00 22. 24 atoms 353 O LEU 47 32. 527 -10. 206 -1. 604 1. 00 25. 16 atoms 354 N ARG 48 34. 577 -9. 589 -0. 888 1. 00 17. 98 atoms 355 CA ARG 48 34. 102 -8. 359 -0. 289 1. 00 19. 39 atoms 356 CB ARG 48 35. 257 -7. 600 0. 361 1. 00 22. 15 atoms 357 CG ARG 48 34. 848 -6. 275 0. 991 1. 00 25. 34 atoms 358 CD ARG 48 33. 665 -6. 451 1. 924 1. 00 31. 73 atoms 359 NE ARG 48 33. 968 -7. 332 3. 052 1. 00 41. 05 Atom 360 CZ ARG 48 33. 971 -6. 954 4. 332 1. 00 44. 95 atoms 361 NH1 ARG 48 33. 684 -5. 697 4. 672 1. 00 44. 28 atoms 362 NH2 ARG 48 34. 265 -7. 840 5. 279 1. 00 45. 69 atoms 363 C ARG 48 33. 426 -7. 448 -1. 280 1. 00 18. 00 atom 364 O ARG 48 32. 389 -6. 861 -0. 978 1. 00 13. 22 atoms 365 N GLN 49 34. 033 -7. 336 -2. 459 1. 00 19. 75 atoms 366 CA GLN 49 33. 551 -6. 474 -3. 531 1. 00 17. 34 atoms 367 CB GLN 49 34. 394 -6. 691 -4. 778 1. 00 23. 31 atom 368 CG GLN 49 35. 392 -5. 599 -5. 057 1. 00 25. 70 atoms 369 CD GLN 49 36. 457 -6. 046 -6. 035 1. 00 32. 79 atoms 370 OE1 GLN 49 36. 875 -5. 290 -6. 915 1. 00 32. 01 atom 371 NE2 GLN 49 36. 903 -7. 287 -5. 887 1. 00 35. 96 atoms 372 C GLN 49 32. 097 -6. 705 -3. 869 1. 00 20. 93 atoms 373 O GLN 49 31. 370 -5. 769 -4. 200 1. 00 25. 69 atoms 374 N LYS 50 31. 658 -7. 951 -3. 782 1. 00 20. 84 atoms 375 CA LYS 50 30. 276 -8. 271 -4. 084 1. 00 20. 89 atoms 376 CB LYS 50 30. 129 -9. 775 -4. 339 1. 00 22. 67 atoms 377 CG LYS 50 31. 351 -10. 432 -4. 957 1. 00 25. 57 atoms 378 CD LYS 50 31. 347 -10. 361 -6. 464 1. 00 28. 52 atoms 379 CE LYS 50 32. 689 -9. 833 -7. 005 1. 00 33. 85 atoms 380 NZ LYS 50 32. 553 -8. 461 -7. 590 1. 00 29. 19 atoms 381 C LYS 50 29. 288 -7. 848 -3. 008 1. 00 20. 77 atoms 382 O LYS 50 28. 196 -7. 349 -3. 304 1. 00 20. 61 atoms 383 N LYS 51 29. 667 -8. 052 -1. 753 1. 00 28. 30 atoms 384 CA LYS 51 28. 786 -7. 733 -0. 627 1. 00 27. 64 atoms 385 CB LYS 51 29. 338 -8. 347 0. 666 1. 00 28. 63 atoms 386 CG LYS 51 29. 772 -9. 809 0. 570 1. 00 34. 26 atoms 387 CD LYS 51 31. 099 -10. 036 1. 324 1. 00 39. 78 atoms 388 CE LYS 51 30. 917 -10. 860 2. 597 1. 00 41. 29 atoms 389 NZ LYS 51 29. 487 -11. 221 2. 851 1. 00 42. 28 atoms 390 C LYS 51 28. 637 -6. 239 -0. 440 1. 00 25. 06 Atomic 391 O LYS 51 27. 693 -5. 757 0. 189 1. 00 26. 11 atoms 392 N VAL 52 29. 574 -5. 505 -1. 014 1. 00 23. 63 atoms 393 CA VAL 52 29. 605 -4. 063 -0. 869 1. 00 22. 61 atoms 394 CB VAL 52 31. 070 -3. 649 -0. 616 1. 00 19. 17 atoms 395 CG1 VAL 52 31. 729 -3. 212 -1. 894 1. 00 17. 90 atoms 396 CG2 VAL 52 31. 131 -2. 603 0. 428 1. 00 24. 32 atoms 397 C VAL 52 29. 024 -3. 279 -2. 054 1. 00 19. 94 atoms 398 O VAL 52 28. 875 -2. 063 -1. 995 1. 00 19. 73 atoms 399 N THR 53 28. 671 -3. 996 -3. 111 1. 00 20. 39 atoms 400 CA THR 53 28. 170 -3. 397 -4. 339 1. 00 18. 89 atoms 401 CB THR 53 28. 843 -4. 061 -5. 557 1. 00 18. 51 atom 402 OG1 THR 53 30. 258 -3. 831 -5. 506 1. 00 23. 13 atoms 403 CG2 THR 53 28. 285 -3. 519 -6. 855 1. 00 15. 71 atoms 404 C THR 53 26. 672 -3. 478 -4. 536 1. 00 21. 86 atoms 405 O THR 53 26. 113 -4. 555 -4. 677 1. 00 22. 43 atoms 406 N PHE 54 26. 015 -2. 330 -4. 585 1. 00 22. 23 atoms 407 CA PHE 54 24. 577 -2. 329 -4. 806 1. 00 20. 95 atoms 408 CB PHE 54 23. 857 -2. 852 -3. 568 1. 00 17. 15 atoms 409 CG PHE 54 24. 485 -2. 432 -2. 299 1. 00 15. 48 atoms 410 CD1 PHE 54 24. 290 -1. 156 -1. 804 1. 00 21. 00 atom 411 CD2 PHE 54 25. 313 -3. 299 -1. 607 1. 00 28. 94 atoms 412 CE1 PHE 54 24. 914 -0. 738 -0. 628 1. 00 24. 14 atoms 413 CE2 PHE 54 25. 949 -2. 898 -0. 428 1. 00 30. 32 atoms 414 CZ PHE 54 25. 745 -1. 608 0. 059 1. 00 29. 70 atoms 415 C PHE 54 24. 134 -0. 911 -5. 120 1. 00 21. 37 atoms 416 O PHE 54 24. 959 0. 001 -5. 171 1. 00 21. 13 atoms 417 N ASP 55 22. 833 -0. 738 -5. 319 1. 00 20. 70 atoms 418 CA ASP 55 22. 251 0. 557 -5. 628 1. 00 20. 89 atoms 419 CB ASP 55 21. 155 0. 361 -6. 695 1. 00 19. 59 atoms 420 CG ASP 55 20. 435 1. 663 -7. 079 1. 00 20. 07 Atom 421 OD1 ASP 55 21. 080 2. 589 -7. 622 1. 00 14. 28 atoms 422 OD2 ASP 55 19. 206 1. 743 -6. 835 1. 00 24. 20 atoms 423 C ASP 55 21. 675 1. 253 -4. 372 1. 00 23. 84 atoms 424 O ASP 55 21. 070 0. 624 -3. 493 1. 00 26. 41 atoms 425 N ARG 56 21. 871 2. 558 -4. 289 1. 00 17. 80 atoms 426 CA ARG 56 21. 344 3. 297 -3. 177 1. 00 16. 51 atoms 427 CB ARG 56 22. 467 4. 039 -2. 436 1. 00 16. 87 atoms 428 CG ARG 56 23. 525 3. 130 -1. 871 1. 00 10. 07 atom 429 CD ARG 56 24. 710 3. 082 -2. 808 1. 00 15. 13 atoms 430 NE ARG 56 25. 652 4. 167 -2. 523 1. 00 17. 01 atom 431 CZ ARG 56 25. 953 5. 128 -3. 389 1. 00 28. 89 atoms 432 NH1 ARG 56 25. 388 5. 152 -4. 598 1. 00 27. 60 atoms 433 NH2 ARG 56 26. 838 6. 053 -3. 064 1. 00 31. 98 atoms 434 C ARG 56 20. 323 4. 297 -3. 659 1. 00 15. 89 atoms 435 O ARG 56 20. 638 5. 136 -4. 477 1. 00 18. 04 atom 436 N LEU 57 19. 095 4. 190 -3. 152 1. 00 21. 41 atoms 437 CA LEU 57 18. 010 5. 127 -3. 466 1. 00 19. 39 atoms 438 CB LEU 57 16. 760 4. 398 -3. 960 1. 00 21. 90 atoms 439 CG LEU 57 16. 814 3. 732 -5. 333 1. 00 30. 04 atom 440 CD1 LEU 57 15. 394 3. 306 -5. 717 1. 00 23. 84 atoms 441 CD2 LEU 57 17. 411 4. 701 -6. 382 1. 00 24. 33 atoms 442 C LEU 57 17. 697 5. 801 -2. 125 1. 00 22. 57 atoms 443 O LEU 57 17. 744 5. 154 -1. 063 1. 00 21. 40 atoms 444 N GLN 58 17. 360 7. 083 -2. 176 1. 00 20. 39 atoms 445 CA GLN 58 17. 082 7. 850 -0. 983 1. 00 17. 61 atoms 446 CB GLN 58 18. 271 8. 781 -0. 695 1. 00 19. 01 atom 447 CG GLN 58 19. 212 8. 352 0. 413 1. 00 18. 78 atoms 448 CD GLN 58 20. 304 9. 377 0. 649 1. 00 19. 26 atoms 449 OE1 GLN 58 20. 684 10. 114 -0. 265 1. 00 25. 14 atoms 450 NE2 GLN 58 20. 813 9. 436 1. 870 1. 00 7. 96 atoms 451 C GLN 58 15. 836 8. 717 -1. 136 1. 00 18. 94 atoms 452 O GLN 58 15. 714 9. 465 -2. 113 1. 00 18. 41 atoms 453 N VAL 59 14. 928 8. 631 -0. 164 1. 00 15. 86 atoms 454 CA VAL 59 13. 726 9. 464 -0. 143 1. 00 13. 64 atoms 455 CB VAL 59 12. 432 8. 635 -0. 050 1. 00 18. 32 atoms 456 CG1 VAL 59 11. 345 9. 308 -0. 842 1. 00 12. 43 atoms 457 CG2 VAL 59 12. 665 7. 228 -0. 560 1. 00 23. 22 atoms 458 C VAL 59 13. 872 10. 308 1. 120 1. 00 11. 72 atoms 459 O VAL 59 13. 692 9. 831 2. 226 1. 00 10. 53 atoms 460 N LEU 60 14. 231 11. 566 0. 947 1. 00 14. 06 Atomic 461 CA LEU 60 14. 457 12. 418 2. 090 1. 00 14. 87 atoms 462 CB LEU 60 15. 545 13. 433 1. 767 1. 00 12. 50 atoms 463 CG LEU 60 16. 894 12. 787 1. 394 1. 00 17. 55 atoms 464 CD1 LEU 60 17. 892 13. 910 1. 096 1. 00 11. 66 atoms 465 CD2 LEU 60 17. 414 11. 848 2. 527 1. 00 2. 00 atom 466 C LEU 60 13. 206 13. 103 2. 595 1. 00 18. 51 atoms 467 O LEU 60 12. 423 13. 669 1. 825 1. 00 16. 16 atoms 468 N ASP 61 13. 067 13. 057 3. 917 1. 00 18. 47 atoms 469 CA ASP 61 11. 933 13. 587 4. 656 1. 00 19. 17 atom 470 CB ASP 61 11. 621 12. 612 5. 784 1. 00 26. 43 atom 471 CG ASP 61 10. 307 11. 985 5. 617 1. 00 34. 40 atoms 472 OD1 ASP 61 9. 719 12. 202 4. 530 1. 00 35. 57 atoms 473 OD2 ASP 61 9. 871 11. 295 6. 560 1. 00 37. 74 atoms 474 C ASP 61 12. 000 14. 976 5. 287 1. 00 9. 45 atoms 475 O ASP 61 13. 036 15. 610 5. 330 1. 00 11. 81 atoms 476 N ASP 62 10. 856 15. 400 5. 808 1. 00 8. 67 atoms 477 CA ASP 62 10. 717 16. 659 6. 541 1. 00 13. 85 atoms 478 CB ASP 62 9. 235 16. 962 6. 773 1. 00 19. 68 atoms 479 CG ASP 62 8. 622 17. 785 5. 653 1. 00 24. 90 atoms 480 OD1 ASP 62 9. 193 18. 828 5. 278 1. 00 29. 35 atoms 481 OD2 ASP 62 7. 557 17. 388 5. 146 1. 00 36. 92 atoms 482 C ASP 62 11. 430 16. 417 7. 901 1. 00 11. 46 atoms 483 O ASP 62 12. 156 17. 265 8. 419 1. 00 14. 07 atom 484 N HIS 63 11. 220 15. 234 8. 459 1. 00 6. 43 atoms 485 CA HIS 63 11. 879 14. 842 9. 683 1. 00 7. 74 atoms 486 CB HIS 63 11. 485 13. 424 10. 038 1. 00 8. 47 atoms 487 CG HIS 63 10. 112 13. 317 10. 598 1. 00 8. 99 atoms 488 CD2 HIS 63 9. 179 12. 339 10. 498 1. 00 8. 53 atoms 489 ND1 HIS 63 9. 564 14. 297 11. 399 1. 00 11. 03 atom 490 CE1 HIS 63 8. 352 13. 925 11. 772 1. 00 10. 35 atoms 491 NE2 HIS 63 8. 095 12. 741 11. 237 1. 00 12. 66 atoms 492 C HIS 63 13. 383 14. 920 9. 472 1. 00 10. 38 atoms 493 O HIS 63 14. 125 15. 294 10. 370 1. 00 16. 98 atoms 494 N TYR 64 13. 830 14. 574 8. 269 1. 00 11. 90 atoms 495 CA TYR 64 15. 246 14. 633 7. 927 1. 00 7. 03 atom 496 CB TYR 64 15. 477 13. 834 6. 642 1. 00 9. 53 atoms 497 CG TYR 64 16. 891 13. 867 6. 083 1. 00 6. 78 atoms 498 CD1 TYR 64 17. 815 12. 885 6. 415 1. 00 5. 13 atoms 499 CE1 TYR 64 19. 105 12. 925 5. 916 1. 00 14. 54 atoms 500 CD2 TYR 64 17. 294 14. 884 5. 250 1. 00 2. 00 atom 501 CE2 TYR 64 18. 555 14. 937 4. 749 1. 00 2. 00 atom 502 CZ TYR 64 19. 475 13. 966 5. 077 1. 00 11. 69 atoms 503 OH TYR 64 20. 755 14. 046 4. 555 1. 00 11. 33 atoms 504 C TYR 64 15. 742 16. 086 7. 755 1. 00 9. 99 atoms 505 O TYR 64 16. 838 16. 414 8. 174 1. 00 10. 97 atoms 506 N ARG 65 14. 951 16. 958 7. 128 1. 00 12. 39 atoms 507 CA ARG 65 15. 390 18. 341 6. 923 1. 00 11. 20 atoms 508 CB ARG 65 14. 527 19. 033 5. 848 1. 00 12. 74 atoms 509 CG ARG 65 14. 980 18. 796 4. 390 1. 00 17. 83 atoms 510 CD ARG 65 13. 838 18. 997 3. 373 1. 00 11. 66 atoms 511 NE ARG 65 13. 515 17. 724 2. 745 1. 00 12. 38 atoms 512 CZ ARG 65 12. 293 17. 229 2. 669 1. 00 12. 36 atoms 513 NH1 ARG 65 11. 272 17. 904 3. 181 1. 00 21. 59 atoms 514 NH2 ARG 65 12. 090 16. 048 2. 107 1. 00 22. 71 atoms 515 C ARG 65 15. 327 19. 118 8. 230 1. 00 10. 20 atoms 516 O ARG 65 16. 164 19. 973 8. 494 1. 00 10. 28 atoms 517 N ASP 66 14. 315 18. 823 9. 040 1. 00 11. 92 atoms 518 CA ASP 66 14. 143 19. 463 10. 344 1. 00 10. 53 atoms 519 CB ASP 66 12. 920 18. 882 11. 050 1. 00 11. 57 atoms 520 CG ASP 66 11. 601 19. 280 10. 379 1. 00 13. 23 atoms 521 OD1 ASP 66 11. 562 20. 246 9. 586 1. 00 23. 22 atoms 522 OD2 ASP 66 10. 590 18. 617 10. 649 1. 00 18. 03 atom 523 C ASP 66 15. 375 19. 216 11. 196 1. 00 10. 59 atoms 524 O ASP 66 15. 927 20. 137 11. 785 1. 00 17. 43 atoms 525 N VAL 67 15. 805 17. 959 11. 254 1. 00 12. 05 atom 526 CA VAL 67 16. 975 17. 582 12. 024 1. 00 14. 16 atoms 527 CB VAL 67 17. 135 16. 050 12. 080 1. 00 14. 68 atoms 528 CG1 VAL 67 18. 492 15. 683 12. 680 1. 00 12. 91 atoms 529 CG2 VAL 67 16. 019 15. 452 12. 901 1. 00 15. 06 Atomic 530 C VAL 67 18. 231 18. 196 11. 439 1. 00 16. 75 atoms 531 O VAL 67 19. 103 18. 650 12. 168 1. 00 20. 85 atoms 532 N LEU 68 18. 331 18. 205 10. 117 1. 00 19. 38 atoms 533 CA LEU 68 19. 493 18. 788 9. 469 1. 00 17. 25 atoms 534 CB LEU 68 19. 348 18. 689 7. 962 1. 00 16. 80 atoms 535 CG LEU 68 20. 566 18. 561 7. 064 1. 00 13. 39 atoms 536 CD1 LEU 68 20. 257 19. 311 5. 814 1. 00 11. 90 atoms 537 CD2 LEU 68 21. 824 19. 079 7. 713 1. 00 12. 32 atoms 538 C LEU 68 19. 613 20. 246 9. 855 1. 00 18. 34 atoms 539 O LEU 68 20. 681 20. 691 10. 259 1. 00 18. 28 atoms 540 N LYS 69 18. 513 20. 991 9. 722 1. 00 18. 88 atoms 541 CA LYS 69 18. 519 22. 421 10. 050 1. 00 21. 95 atoms 542 CB LYS 69 17. 152 23. 064 9. 750 1. 00 19. 48 atoms 543 CG LYS 69 17. 056 24. 548 10. 085 1. 00 27. 21 atom 544 CD LYS 69 17. 951 25. 421 9. 167 1. 00 38. 86 atoms 545 CE LYS 69 18. 436 26. 718 9. 847 1. 00 41. 07 atom 546 NZ LYS 69 19. 792 26. 593 10. 505 1. 00 38. 52 atoms 547 C LYS 69 18. 909 22. 668 11. 512 1. 00 21. 81 atoms 548 O LYS 69 19. 668 23. 597 11. 806 1. 00 20. 33 atom 549 N GLU 70 18. 394 21. 852 12. 428 1. 00 19. 09 Atomic 550 CA GLU 70 18. 749 22. 029 13. 832 1. 00 15. 47 atoms 551 CB GLU 70 17. 995 21. 016 14. 715 1. 00 17. 65 atoms 552 CG GLU 70 16. 613 21. 489 15. 235 1. 00 10. 96 atoms 553 CD GLU 70 15. 720 20. 320 15. 683 1. 00 17. 00 atom 554 OE1 GLU 70 14. 488 20. 351 15. 464 1. 00 16. 61 atom 555 OE2 GLU 70 16. 254 19. 354 16. 259 1. 00 20. 20 atoms 556 C GLU 70 20. 275 21. 840 13. 950 1. 00 14. 28 atoms 557 O GLU 70 20. 964 22. 612 14. 629 1. 00 11. 43 atoms 558 N MET 71 20. 806 20. 842 13. 248 1. 00 11. 88 atoms 559 CA MET 71 22. 244 20. 563 13. 289 1. 00 14. 32 atoms 560 CB MET 71 22. 584 19. 235 12. 588 1. 00 14. 16 atoms 561 CG MET 71 22. 224 17. 968 13. 368 1. 00 9. 37 atoms 562 SD MET 71 22. 245 16. 550 12. 260 1. 00 15. 49 atoms 563 CE MET 71 23. 964 16. 104 12. 333 1. 00 8. 73 atoms 564 C MET 71 23. 075 21. 669 12. 657 1. 00 15. 37 atoms 565 O MET 71 24. 211 21. 893 13. 049 1. 00 21. 07 atom 566 N LYS 72 22. 530 22. 361 11. 669 1. 00 19. 18 atoms 567 CA LYS 72 23. 305 23. 431 11. 037 1. 00 22. 11 atom 568 CB LYS 72 22. 665 23. 842 9. 696 1. 00 17. 90 atoms 569 CG LYS 72 22. 668 22. 698 8. 663 1. 00 24. 56 atoms 570 CD LYS 72 22. 275 23. 141 7. 254 1. 00 20. 71 atoms 571 CE LYS 72 22. 862 22. 187 6. 219 1. 00 28. 30 atoms 572 NZ LYS 72 22. 248 22. 346 4. 857 1. 00 23. 88 atoms 573 C LYS 72 23. 380 24. 619 12. 001 1. 00 22. 65 atoms 574 O LYS 72 24. 397 25. 302 12. 108 1. 00 21. 19 atoms 575 N ALA 73 22. 302 24. 835 12. 739 1. 00 19. 95 atoms 576 CA ALA 73 22. 279 25. 940 13. 667 1. 00 22. 76 atoms 577 CB ALA 73 20. 881 26. 080 14. 257 1. 00 17. 61 atoms 578 C ALA 73 23. 327 25. 765 14. 770 1. 00 25. 80 atoms 579 O ALA 73 23. 894 26. 740 15. 250 1. 00 27. 15 atoms 580 N LYS 74 23. 584 24. 524 15. 174 1. 00 28. 16 atoms 581 CA LYS 74 24. 567 24. 286 16. 216 1. 00 25. 53 atoms 582 CB LYS 74 24. 415 22. 877 16. 808 1. 00 26. 08 atom 583 CG LYS 74 23. 611 22. 800 18. 116 1. 00 29. 43 atoms 584 CD LYS 74 24. 208 23. 672 19. 232 1. 00 31. 87 atoms 585 CE LYS 74 24. 525 22. 850 20. 490 1. 00 36. 37 atoms 586 NZ LYS 74 23. 999 23. 451 21. 763 1. 00 37. 56 atoms 587 C LYS 74 25. 948 24. 434 15. 599 1. 00 27. 65 atoms 588 O LYS 74 26. 835 25. 098 16. 164 1. 00 28. 65 atoms 589 N ALA 75 26. 127 23. 827 14. 428 1. 00 22. 91 atoms 590 CA ALA 75 27. 414 23. 873 13. 754 1. 00 20. 17 atoms 591 CB ALA 75 27. 379 23. 020 12. 538 1. 00 21. 44 atoms 592 C ALA 75 27. 834 25. 276 13. 371 1. 00 21. 91 atoms 593 O ALA 75 29. 024 25. 569 13. 279 1. 00 22. 39 atoms 594 N SER 76 26. 847 26. 133 13. 144 1. 00 24. 75 atoms 595 CA SER 76 27. 095 27. 505 12. 751 1. 00 26. 04 atom 596 CB SER 76 25. 829 28. 114 12. 164 1. 00 27. 50 atoms 597 OG SER 76 25. 166 28. 921 13. 119 1. 00 27. 03 atom 598 C SER 76 27. 534 28. 277 13. 975 1. 00 29. 40 atoms 599 O SER 76 27. 652 29. 502 13. 950 1. 00 30. 52 atoms 600 N THR 77 27. 796 27. 534 15. 041 1. 00 29. 85 atoms 601 CA THR 77 28. 225 28. 105 16. 304 1. 00 29. 93 atoms 602 CB THR 77 27. 400 27. 476 17. 436 1. 00 28. 64 atoms 603 OG1 THR 77 26. 580 28. 490 18. 021 1. 00 28. 24 atoms 604 CG2 THR 77 28. 276 26. 812 18. 471 1. 00 22. 34 atoms 605 C THR 77 29. 718 27. 836 16. 486 1. 00 29. 10 atoms 606 O THR 77 30. 334 28. 257 17. 462 1. 00 23. 31 atom 607 N VAL 78 30. 292 27. 159 15. 500 1. 00 28. 73 atoms 608 CA VAL 78 31. 698 26. 785 15. 522 1. 00 28. 31 atom 609 CB VAL 78 31. 869 25. 319 15. 059 1. 00 22. 98 atoms 610 CG1 VAL 78 33. 326 24. 954 14. 999 1. 00 24. 21 atom 611 CG2 VAL 78 31. 130 24. 389 16. 008 1. 00 27. 29 atoms 612 C VAL 78 32. 623 27. 664 14. 682 1. 00 30. 31 atom 613 O VAL 78 32. 320 28. 012 13. 547 1. 00 31. 32 atoms 614 N LYS 79 33. 742 28. 053 15. 276 1. 00 32. 75 atoms 615 CA LYS 79 34. 746 28. 820 14. 567 1. 00 34. 72 atoms 616 CB LYS 79 35. 109 30. 116 15. 296 1. 00 33. 13 atoms 617 CG LYS 79 36. 261 30. 890 14. 628 1. 00 35. 72 atoms 618 CD LYS 79 36. 018 32. 411 14. 590 1. 00 35. 69 atoms 619 CE LYS 79 37. 339 33. 186 14. 505 1. 00 33. 64 atoms 620 NZ LYS 79 37. 140 34. 666 14. 643 1. 00 29. 37 atoms 621 C LYS 79 35. 933 27. 862 14. 567 1. 00 34. 91 atoms 622 O LYS 79 36. 405 27. 444 15. 617 1. 00 39. 77 atoms 623 N ALA 80 36. 367 27. 466 13. 383 1. 00 32. 01 atom 624 CA ALA 80 37. 488 26. 564 13. 247 1. 00 31. 60 atoms 625 CB ALA 80 37. 036 25. 260 12. 609 1. 00 33. 03 atom 626 C ALA 80 38. 512 27. 270 12. 370 1. 00 31. 62 atoms 627 O ALA 80 38. 201 28. 228 11. 672 1. 00 30. 86 atoms 628 N LYS 81 39. 745 26. 810 12. 403 1. 00 32. 87 atoms 629 CA LYS 81 40. 744 27. 473 11. 605 1. 00 39. 04 atom 630 CB LYS 81 41. 551 28. 417 12. 508 1. 00 44. 98 atoms 631 CG LYS 81 40. 696 29. 521 13. 164 1. 00 48. 22 atoms 632 CD LYS 81 41. 090 30. 929 12. 696 1. 00 53. 93 atoms 633 CE LYS 81 39. 866 31. 788 12. 344 1. 00 60. 46 atoms 634 NZ LYS 81 40. 061 33. 259 12. 607 1. 00 55. 43 atoms 635 C LYS 81 41. 637 26. 476 10. 884 1. 00 36. 02 atom 636 O LYS 81 41. 836 25. 363 11. 348 1. 00 36. 54 atoms 637 N LEU 82 42. 157 26. 871 9. 732 1. 00 38. 69 atoms 638 CA LEU 82 43. 019 25. 977 8. 971 1. 00 41. 74 atoms 639 CB LEU 82 43. 277 26. 530 7. 571 1. 00 38. 50 atoms 640 CG LEU 82 43. 827 27. 943 7. 506 1. 00 42. 05 atom 641 CD1 LEU 82 45. 345 27. 892 7. 518 1. 00 43. 62 atoms 642 CD2 LEU 82 43. 318 28. 622 6. 236 1. 00 44. 00 atom 643 C LEU 82 44. 320 25. 815 9. 713 1. 00 40. 84 atoms 644 O LEU 82 44. 833 26. 772 10. 275 1. 00 45. 86 atoms 645 N LEU 83 44. 846 24. 600 9. 725 1. 00 42. 05 atom 646 CA LEU 83 46. 093 24. 318 10. 412 1. 00 42. 03 atom 647 CB LEU 83 46. 077 22. 891 10. 955 1. 00 45. 18 atoms 648 CG LEU 83 45. 682 22. 763 12. 428 1. 00 44. 22 atoms 649 CD1 LEU 83 44. 252 23. 218 12. 603 1. 00 40. 69 atom 650 CD2 LEU 83 45. 866 21. 324 12. 894 1. 00 48. 10 atoms 651 C LEU 83 47. 296 24. 492 9. 503 1. 00 42. 56 atoms 652 O LEU 83 47. 434 23. 788 8. 500 1. 00 45. 28 atoms 653 N SER 84 48. 173 25. 423 9. 862 1. 00 41. 78 atoms 654 CA SER 84 49. 377 25. 676 9. 076 1. 00 43. 36 atoms 655 CB SER 84 50. 366 26. 533 9. 858 1. 00 41. 89 atoms 656 OG SER 84 51. 163 25. 696 10. 675 1. 00 46. 93 atoms 657 C SER 84 50. 049 24. 355 8. 742 1. 00 43. 47 atoms 658 O SER 84 49. 926 23. 387 9. 487 1. 00 45. 37 atoms 659 N VAL 85 50. 757 24. 329 7. 615 1. 00 42. 65 atoms 660 CA VAL 85 51. 465 23. 139 7. 159 1. 00 40. 02 atom 661 CB VAL 85 52. 556 23. 492 6. 143 1. 00 40. 79 atoms 662 CG1 VAL 85 52. 603 22. 432 5. 039 1. 00 31. 56 atoms 663 CG2 VAL 85 52. 326 24. 898 5. 623 1. 00 37. 48 atoms 664 C VAL 85 52. 158 22. 399 8. 283 1. 00 38. 35 atoms 665 O VAL 85 51. 895 21. 223 8. 515 1. 00 35. 15 atoms 666 N GLU 86 53. 068 23. 105 8. 945 1. 00 41. 71 atoms 667 CA GLU 86 53. 849 22. 565 10. 053 1. 00 46. 68 atoms 668 CB GLU 86 54. 530 23. 718 10. 804 1. 00 49. 13 atoms 669 CG GLU 86 55. 543 23. 273 11. 850 1. 00 53. 84 atoms 670 CD GLU 86 56. 202 24. 449 12. 557 1. 00 57. 61 atoms 671 OE1 GLU 86 56. 415 25. 499 11. 906 1. 00 57. 48 atoms 672 OE2 GLU 86 56. 509 24. 322 13. 763 1. 00 55. 26 atoms 673 C GLU 86 53. 003 21. 730 11. 024 1. 00 45. 28 atoms 674 O GLU 86 53. 314 20. 558 11. 286 1. 00 45. 42 atoms 675 N GLU 87 51. 938 22. 336 11. 550 1. 00 41. 57 atoms 676 CA GLU 87 51. 050 21. 648 12. 480 1. 00 40. 92 atoms 677 CB GLU 87 49. 897 22. 558 12. 911 1. 00 43. 41 atoms 678 CG GLU 87 50. 218 24. 031 13. 033 1. 00 43. 17 atoms 679 CD GLU 87 49. 103 24. 781 13. 736 1. 00 48. 23 atoms 680 OE1 GLU 87 48. 904 24. 535 14. 947 1. 00 51. 88 atoms 681 OE2 GLU 87 48. 418 25. 605 13. 085 1. 00 45. 74 atoms 682 C GLU 87 50. 462 20. 413 11. 815 1. 00 40. 01 atom 683 O GLU 87 50. 352 19. 343 12. 424 1. 00 41. 18 atoms 684 N ALA 88 50. 069 20. 582 10. 557 1. 00 37. 93 atoms 685 CA ALA 88 49. 484 19. 509 9. 787 1. 00 32. 05 atom 686 CB ALA 88 49. 147 20. 011 8. 399 1. 00 38. 95 atoms 687 C ALA 88 50. 455 18. 345 9. 719 1. 00 30. 85 atoms 688 O ALA 88 50. 087 17. 202 10. 001 1. 00 30. 25 atoms 689 N CYS 89 51. 700 18. 637 9. 353 1. 00 33. 20 atoms 690 CA CYS 89 52. 734 17. 598 9. 253 1. 00 35. 92 atoms 691 CB CYS 89 54. 068 18. 195 8. 781 1. 00 37. 45 atoms 692 SG CYS 89 54. 037 19. 133 7. 232 1. 00 39. 47 atoms 693 C CYS 89 52. 935 16. 940 10. 618 1. 00 34. 78 atoms 694 O CYS 89 53. 176 15. 735 10. 710 1. 00 28. 20 atoms 695 N LYS 90 52. 832 17. 752 11. 670 1. 00 36. 61 atom 696 CA LYS 90 52. 989 17. 281 13. 042 1. 00 35. 73 atoms 697 CB LYS 90 52. 757 18. 446 14. 004 1. 00 40. 25 atoms 698 CG LYS 90 53. 894 19. 470 14. 056 1. 00 39. 78 atoms 699 CD LYS 90 53. 742 20. 377 15. 285 1. 00 40. 47 atoms 700 CE LYS 90 53. 888 21. 857 14. 931 1. 00 40. 65 atoms 701 NZ LYS 90 54. 520 22. 655 16. 026 1. 00 37. 75 atoms 702 C LYS 90 52. 009 16. 141 13. 349 1. 00 34. 09 atom 703 O LYS 90 52. 411 15. 076 13. 823 1. 00 33. 58 atoms 704 N LEU 91 50. 727 16. 361 13. 067 1. 00 30. 64 atoms 705 CA LEU 91 49. 706 15. 336 13. 317 1. 00 31. 32 atoms 706 CB LEU 91 48. 299 15. 909 13. 041 1. 00 29. 65 atoms 707 CG LEU 91 47. 937 17. 261 13. 661 1. 00 29. 77 atoms 708 CD1 LEU 91 46. 491 17. 609 13. 371 1. 00 27. 02 Atomic 709 CD2 LEU 91 48. 149 17. 208 15. 150 1. 00 28. 96 atoms 710 C LEU 91 49. 894 14. 045 12. 495 1. 00 29. 18 atoms 711 O LEU 91 49. 156 13. 060 12. 669 1. 00 24. 10 atoms 712 N THR 92 50. 889 14. 031 11. 616 1. 00 28. 58 atoms 713 CA THR 92 51. 079 12. 858 10. 777 1. 00 28. 44 atoms 714 CB THR 92 51. 677 13. 241 9. 420 1. 00 28. 48 atoms 715 OG1 THR 92 50. 954 14. 357 8. 884 1. 00 22. 03 atom 716 CG2 THR 92 51. 604 12. 057 8. 458 1. 00 18. 87 atoms 717 C THR 92 51. 904 11. 743 11. 397 1. 00 30. 83 atoms 718 O THR 92 53. 055 11. 937 11. 790 1. 00 27. 27 atoms 719 N PRO 93 51. 315 10. 541 11. 470 1. 00 30. 23 atoms 720 CD PRO 93 49. 962 10. 222 10. 983 1. 00 26. 81 atoms 721 CA PRO 93 51. 984 9. 382 12. 047 1. 00 31. 46 atoms 722 CB PRO 93 50. 877 8. 338 12. 157 1. 00 27. 95 atoms 723 CG PRO 93 49. 875 8. 737 11. 148 1. 00 27. 44 atoms 724 C PRO 93 53. 137 8. 920 11. 195 1. 00 38. 55 atoms 725 O PRO 93 53. 051 8. 926 9. 968 1. 00 42. 88 atoms 726 N PRO 94 54. 247 8. 526 11. 839 1. 00 44. 22 atoms 727 CD PRO 94 54. 416 8. 532 13. 302 1. 00 42. 29 atoms 728 CA PRO 94 55. 455 8. 046 11. 158 1. 00 45. 63 atoms 729 CB PRO 94 56. 553 8. 167 12. 220 1. 00 44. 07 Atomic 730 CG PRO 94 55. 882 8. 755 13. 454 1. 00 41. 67 atoms 731 C PRO 94 55. 256 6. 610 10. 710 1. 00 50. 09 atom 732 O PRO 94 56. 194 5. 814 10. 691 1. 00 54. 82 atoms 733 N HIS 95 54. 017 6. 286 10. 364 1. 00 53. 67 atoms 734 CA HIS 95 53. 654 4. 946 9. 913 1. 00 57. 80 atoms 735 CB HIS 95 52. 855 4. 220 11. 006 1. 00 63. 80 atoms 736 CG HIS 95 53. 629 3. 970 12. 260 1. 00 69. 07 atom 737 CD2 HIS 95 53. 856 4. 756 13. 340 1. 00 72. 38 atoms 738 ND1 HIS 95 54. 292 2. 785 12. 501 1. 00 71. 73 atoms 739 CE1 HIS 95 54. 895 2. 851 13. 675 1. 00 73. 76 atoms 740 NE2 HIS 95 54. 647 4. 036 14. 205 1. 00 75. 05 atom 741 C HIS 95 52. 799 5. 030 8. 645 1. 00 55. 40 atoms 742 O HIS 95 52. 527 4. 016 7. 999 1. 00 55. 81 atoms 743 N SER 96 52. 372 6. 244 8. 305 1. 00 53. 91 atoms 744 CA SER 96 51. 531 6. 472 7. 133 1. 00 52. 92 atoms 745 CB SER 96 51. 193 7. 963 7. 003 1. 00 50. 23 atoms 746 OG SER 96 49. 841 8. 210 7. 345 1. 00 52. 35 atoms 747 C SER 96 52. 163 5. 979 5. 835 1. 00 51. 06 Atomic 748 O SER 96 53. 388 5. 939 5. 698 1. 00 49. 44 atoms 749 N ALA 97 51. 307 5. 593 4. 890 1. 00 49. 46 atoms 750 CA ALA 97 51. 756 5. 121 3. 591 1. 00 45. 65 atoms 751 CB ALA 97 50. 561 4. 674 2. 764 1. 00 44. 44 atoms 752 C ALA 97 52. 468 6. 294 2. 925 1. 00 42. 76 atoms 753 O ALA 97 51. 954 7. 416 2. 924 1. 00 40. 92 atoms 754 N LYS 98 53. 649 6. 043 2. 370 1. 00 41. 52 atoms 755 CA LYS 98 54. 407 7. 113 1. 740 1. 00 42. 05 atom 756 CB LYS 98 55. 803 6. 637 1. 325 1. 00 45. 33 atom 757 CG LYS 98 55. 893 5. 176 0. 910 1. 00 52. 15 atoms 758 CD LYS 98 57. 225 4. 882 0. 200 1. 00 55. 56 atoms 759 CE LYS 98 57. 951 3. 666 0. 803 1. 00 60. 84 atoms 760 NZ LYS 98 59. 091 4. 017 1. 720 1. 00 57. 80 atoms 761 C LYS 98 53. 682 7. 669 0. 540 1. 00 40. 45 atoms 762 O LYS 98 52. 762 7. 048 0. 009 1. 00 38. 78 atoms 763 N SER 99 54. 094 8. 860 0. 131 1. 00 39. 53 atoms 764 CA SER 99 53. 502 9. 535 -1. 019 1. 00 38. 92 atoms 765 CB SER 99 53. 896 11. 017 -1. 007 1. 00 37. 52 atoms 766 OG SER 99 53. 532 11. 664 -2. 210 1. 00 39. 62 atoms 767 C SER 99 54. 015 8. 874 -2. 290 1. 00 38. 92 atoms 768 O SER 99 55. 129 8. 339 -2. 320 1. 00 37. 85 atoms 769 N LYS 100 53. 199 8. 895 -3. 335 1. 00 38. 61 atoms 770 CA LYS 100 53. 610 8. 314 -4. 603 1. 00 38. 93 atoms 771 CB LYS 100 52. 384 7. 997 -5. 472 1. 00 39. 20 atoms 772 CG LYS 100 51. 381 7. 066 -4. 797 1. 00 41. 56 atoms 773 CD LYS 100 50. 672 6. 138 -5. 782 1. 00 42. 55 atoms 774 CE LYS 100 49. 883 6. 929 -6. 824 1. 00 46. 92 atoms 775 NZ LYS 100 48. 395 6. 748 -6. 711 1. 00 45. 76 atoms 776 C LYS 100 54. 470 9. 372 -5. 272 1. 00 36. 95 atoms 777 O LYS 100 54. 808 9. 277 -6. 444 1. 00 41. 42 atoms 778 N PHE 101 54. 825 10. 388 -4. 503 1. 00 36. 94 atoms 779 CA PHE 101 55. 625 11. 482 -5. 018 1. 00 36. 82 atoms 780 CB PHE 101 54. 877 12. 805 -4. 833 1. 00 38. 05 atom 781 CG PHE 101 53. 559 12. 877 -5. 566 1. 00 41. 28 atoms 782 CD1 PHE 101 52. 392 12. 400 -4. 977 1. 00 43. 57 atoms 783 CD2 PHE 101 53. 480 13. 455 -6. 827 1. 00 44. 60 atoms 784 CE1 PHE 101 51. 164 12. 499 -5. 630 1. 00 41. 45 atoms 785 CE2 PHE 101 52. 254 13. 560 -7. 489 1. 00 46. 72 atoms 786 CZ PHE 101 51. 095 13. 079 -6. 883 1. 00 43. 73 atoms 787 C PHE 101 57. 015 11. 600 -4. 397 1. 00 35. 89 atoms 788 O PHE 101 57. 520 12. 708 -4. 234 1. 00 36. 78 atoms 789 N GLY 102 57. 625 10. 479 -4. 029 1. 00 32. 70 atoms 790 CA GLY 102 58. 973 10. 550 -3. 491 1. 00 37. 31 atoms 791 C GLY 102 59. 210 10. 698 -1. 998 1. 00 40. 11 atoms 792 O GLY 102 60. 090 10. 035 -1. 452 1. 00 43. 81 atoms 793 N TYR 103 58. 446 11. 559 -1. 334 1. 00 39. 26 atoms 794 CA TYR 103 58. 609 11. 784 0. 096 1. 00 35. 00 atom 795 CB TYR 103 58. 399 13. 270 0. 409 1. 00 38. 56 atoms 796 CG TYR 103 56. 984 13. 746 0. 170 1. 00 43. 82 atoms 797 CD1 TYR 103 56. 087 13. 896 1. 231 1. 00 44. 08 atom 798 CE1 TYR 103 54. 774 14. 281 1. 009 1. 00 39. 21 atom 799 CD2 TYR 103 56. 522 14. 003 -1. 123 1. 00 41. 55 atoms 800 CE2 TYR 103 55. 208 14. 389 -1. 350 1. 00 38. 72 atoms 801 CZ TYR 103 54. 343 14. 518 -0. 281 1. 00 39. 56 atoms 802 OH TYR 103 53. 031 14. 835 -0. 515 1. 00 37. 93 atoms 803 C TYR 103 57. 665 10. 942 0. 951 1. 00 32. 59 atoms 804 O TYR 103 56. 492 10. 797 0. 632 1. 00 29. 69 atoms 805 N GLY 104 58. 191 10. 408 2. 052 1. 00 32. 00 atom 806 CA GLY 104 57. 394 9. 589 2. 952 1. 00 25. 84 atoms 807 C GLY 104 56. 983 10. 318 4. 223 1. 00 25. 38 atoms 808 O GLY 104 57. 114 11. 548 4. 312 1. 00 24. 18 atoms 809 N ALA 105 56. 508 9. 550 5. 209 1. 00 24. 20 atoms 810 CA ALA 105 56. 037 10. 080 6. 494 1. 00 23. 76 atoms 811 CB ALA 105 55. 611 8. 922 7. 407 1. 00 26. 92 atoms 812 C ALA 105 57. 011 10. 984 7. 234 1. 00 24. 90 atoms 813 O ALA 105 56. 660 12. 095 7. 592 1. 00 25. 76 atoms 814 N LYS 106 58. 233 10. 516 7. 461 1. 00 30. 07 atom 815 CA LYS 106 59. 236 11. 306 8. 177 1. 00 33. 58 atoms 816 CB LYS 106 60. 552 10. 538 8. 272 1. 00 35. 25 atoms 817 CG LYS 106 60. 434 9. 081 8. 660 1. 00 37. 37 atoms 818 CD LYS 106 61. 755 8. 348 8. 415 1. 00 39. 21 atoms 819 CE LYS 106 62. 944 9. 043 9. 098 1. 00 42. 05 Atomic 820 NZ LYS 106 63. 712 9. 962 8. 187 1. 00 45. 24 atoms 821 C LYS 106 59. 510 12. 683 7. 554 1. 00 38. 58 atoms 822 O LYS 106 59. 422 13. 715 8. 236 1. 00 41. 15 atoms 823 N ASP 107 59. 853 12. 704 6. 268 1. 00 38. 63 atoms 824 CA ASP 107 60. 118 13. 969 5. 594 1. 00 38. 65 atoms 825 CB ASP 107 60. 298 13. 752 4. 096 1. 00 40. 04 Atom 826 CG ASP 107 61. 279 12. 671 3. 798 1. 00 40. 25 atoms 827 OD1 ASP 107 60. 843 11. 515 3. 609 1. 00 44. 96 atoms 828 OD2 ASP 107 62. 486 12. 982 3. 772 1. 00 40. 23 atoms 829 C ASP 107 58. 950 14. 903 5. 832 1. 00 38. 71 atom 830 O ASP 107 59. 133 16. 118 5. 913 1. 00 40. 03 atom 831 N VAL 108 57. 754 14. 323 5. 938 1. 00 38. 49 atoms 832 CA VAL 108 56. 544 15. 093 6. 190 1. 00 39. 25 atoms 833 CB VAL 108 55. 254 14. 240 6. 177 1. 00 38. 78 atoms 834 CG1 VAL 108 54. 088 15. 088 6. 680 1. 00 36. 21 atom 835 CG2 VAL 108 54. 968 13. 715 4. 776 1. 00 38. 69 atoms 836 C VAL 108 56. 639 15. 698 7. 570 1. 00 40. 88 atoms 837 O VAL 108 56. 140 16. 798 7. 798 1. 00 42. 42 atoms 838 N ARG 109 57. 259 14. 982 8. 501 1. 00 39. 54 atoms 839 CA ARG 109 57. 375 15. 533 9. 839 1. 00 44. 71 atoms 840 CB ARG 109 57. 485 14. 429 10. 897 1. 00 44. 04 atom 841 CG ARG 109 57. 175 14. 978 12. 297 1. 00 46. 40 atoms 842 CD ARG 109 57. 340 13. 959 13. 411 1. 00 46. 18 atoms 843 NE ARG 109 56. 074 13. 345 13. 797 1. 00 40. 34 atoms 844 CZ ARG 109 55. 647 12. 189 13. 307 1. 00 43. 34 atoms 845 NH1 ARG 109 56. 390 11. 536 12. 418 1. 00 44. 24 atoms 846 NH2 ARG 109 54. 488 11. 682 13. 701 1. 00 39. 95 atoms 847 C ARG 109 58. 557 16. 492 9. 979 1. 00 44. 27 atoms 848 O ARG 109 58. 488 17. 464 10. 733 1. 00 45. 55 atoms 849 N ASN 110 59. 628 16. 237 9. 235 1. 00 42. 68 atoms 850 CA ASN 110 60. 813 17. 080 9. 318 1. 00 41. 58 atoms 851 CB ASN 110 62. 028 16. 327 8. 776 1. 00 42. 25 atoms 852 CG ASN 110 62. 223 14. 976 9. 444 1. 00 43. 61 atom 853 OD1 ASN 110 61. 431 14. 562 10. 297 1. 00 43. 54 atoms 854 ND2 ASN 110 63. 282 14. 277 9. 055 1. 00 49. 56 atoms 855 C ASN 110 60. 675 18. 411 8. 594 1. 00 40. 58 atoms 856 O ASN 110 61. 528 19. 289 8. 737 1. 00 40. 24 atoms 857 N LEU 111 59. 600 18. 560 7. 828 1. 00 39. 98 atoms 858 CA LEU 111 59. 350 19. 787 7. 061 1. 00 40. 96 atoms 859 CB LEU 111 59. 470 21. 027 7. 981 1. 00 43. 73 atoms 860 CG LEU 111 58. 245 21. 493 8. 806 1. 00 44. 77 atoms 861 CD1 LEU 111 58. 270 23. 014 8. 942 1. 00 43. 32 atoms 862 CD2 LEU 111 56. 932 21. 055 8. 136 1. 00 43. 76 atoms 863 C LEU 111 60. 313 19. 903 5. 861 1. 00 36. 53 atoms 864 O LEU 111 60. 836 20. 974 5. 581 1. 00 33. 61 atom 865 N SER 112 60. 521 18. 784 5. 161 1. 00 37. 08 Atomic 866 CA SER 112 61. 408 18. 702 3. 993 1. 00 37. 95 atoms 867 CB SER 112 61. 636 17. 239 3. 620 1. 00 35. 33 atom 868 OG SER 112 61. 881 16. 443 4. 772 1. 00 40. 02 atom 869 C SER 112 60. 896 19. 451 2. 758 1. 00 42. 04 atom 870 O SER 112 59. 685 19. 503 2. 507 1. 00 43. 96 atoms 871 N SER 113 61. 821 20. 017 1. 979 1. 00 42. 58 atoms 872 CA SER 113 61. 442 20. 762 0. 777 1. 00 42. 22 atoms 873 CB SER 113 62. 692 21. 302 0. 038 1. 00 39. 75 atoms 874 OG SER 113 63. 534 20. 272 -0. 463 1. 00 37. 28 atoms 875 C SER 113 60. 580 19. 920 -0. 174 1. 00 41. 06 atom 876 O SER 113 59. 622 20. 429 -0. 761 1. 00 36. 23 atoms 877 N LYS 114 60. 899 18. 636 -0. 320 1. 00 37. 37 atoms 878 CA LYS 114 60. 102 17. 811 -1. 219 1. 00 37. 95 atoms 879 CB LYS 114 60. 759 16. 434 -1. 449 1. 00 39. 06 Atom 880 CG LYS 114 61. 015 15. 611 -0. 194 1. 00 43. 80 atoms 881 CD LYS 114 62. 256 14. 721 -0. 361 1. 00 44. 68 atoms 882 CE LYS 114 61. 916 13. 233 -0. 326 1. 00 45. 40 atoms 883 NZ LYS 114 61. 253 12. 772 -1. 592 1. 00 45. 38 atoms 884 C LYS 114 58. 708 17. 650 -0. 630 1. 00 33. 14 atoms 885 O LYS 114 57. 705 17. 668 -1. 348 1. 00 29. 12 atoms 886 N ALA 115 58. 645 17. 515 0. 688 1. 00 30. 70 atoms 887 CA ALA 115 57. 363 17. 346 1. 351 1. 00 27. 33 atoms 888 CB ALA 115 57. 576 16. 838 2. 757 1. 00 29. 72 atoms 889 C ALA 115 56. 540 18. 623 1. 370 1. 00 25. 15 atoms 890 O ALA 115 55. 506 18. 710 0. 720 1. 00 25. 23 atoms 891 N VAL 116 56. 997 19. 633 2. 091 1. 00 25. 45 atoms 892 CA VAL 116 56. 208 20. 850 2. 160 1. 00 29. 58 atoms 893 CB VAL 116 56. 807 21. 875 3. 170 1. 00 31. 94 atoms 894 CG1 VAL 116 57. 757 21. 178 4. 135 1. 00 30. 62 atoms 895 CG2 VAL 116 57. 486 23. 011 2. 432 1. 00 32. 05 atom 896 C VAL 116 55. 982 21. 526 0. 814 1. 00 30. 56 atoms 897 O VAL 116 55. 136 22. 424 0. 691 1. 00 31. 18 atoms 898 N ASN 117 56. 741 21. 107 -0. 197 1. 00 34. 10 atoms 899 CA ASN 117 56. 585 21. 673 -1. 534 1. 00 28. 81 atoms 900 CB ASN 117 57. 845 21. 486 -2. 352 1. 00 30. 56 atoms 901 CG ASN 117 58. 738 22. 691 -2. 281 1. 00 34. 70 atoms 902 OD1 ASN 117 58. 260 23. 812 -2. 089 1. 00 33. 31 atom 903 ND2 ASN 117 60. 044 22. 477 -2. 421 1. 00 34. 40 atoms 904 C ASN 117 55. 416 20. 997 -2. 214 1. 00 30. 73 atoms 905 O ASN 117 54. 545 21. 674 -2. 774 1. 00 32. 39 atoms 906 N HIS 118 55. 383 19. 665 -2. 168 1. 00 28. 42 atoms 907 CA HIS 118 54. 260 18. 959 -2. 757 1. 00 29. 70 atoms 908 CB HIS 118 54. 415 17. 447 -2. 645 1. 00 30. 32 atoms 909 CG HIS 118 53. 374 16. 692 -3. 412 1. 00 33. 54 atoms 910 CD2 HIS 118 53. 242 16. 450 -4. 740 1. 00 35. 37 Atomic 911 ND1 HIS 118 52. 283 16. 106 -2. 809 1. 00 36. 29 atoms 912 CE1 HIS 118 51. 524 15. 536 -3. 729 1. 00 34. 25 atoms 913 NE2 HIS 118 52. 083 15. 732 -4. 910 1. 00 34. 76 atoms 914 C HIS 118 52. 985 19. 387 -2. 032 1. 00 29. 99 atoms 915 O HIS 118 51. 999 19. 755 -2. 677 1. 00 29. 65 atoms 916 N ILE 119 53. 007 19. 358 -0. 696 1. 00 27. 46 atoms 917 CA ILE 119 51. 830 19. 758 0. 078 1. 00 24. 42 atoms 918 CB ILE 119 52. 118 19. 945 1. 620 1. 00 24. 65 atoms 919 CG2 ILE 119 50. 793 20. 085 2. 361 1. 00 20. 54 atoms 920 CG1 ILE 119 52. 950 18. 796 2. 211 1. 00 17. 58 atoms 921 CD1 ILE 119 52. 759 17. 472 1. 551 1. 00 15. 70 atoms 922 C ILE 119 51. 294 21. 100 -0. 437 1. 00 25. 51 atoms 923 O ILE 119 50. 091 21. 243 -0. 673 1. 00 29. 09 atom 924 N HIS 120 52. 178 22. 079 -0. 617 1. 00 23. 27 atom 925 CA HIS 120 51. 754 23. 406 -1. 080 1. 00 28. 30 atoms 926 CB HIS 120 52. 927 24. 401 -1. 069 1. 00 30. 07 Atom 927 CG HIS 120 53. 039 25. 200 0. 197 1. 00 33. 49 atoms 928 CD2 HIS 120 52. 237 26. 162 0. 719 1. 00 35. 05 atom 929 ND1 HIS 120 54. 108 25. 086 1. 063 1. 00 30. 46 atoms 930 CE1 HIS 120 53. 961 25. 944 2. 057 1. 00 34. 16 atoms 931 NE2 HIS 120 52. 834 26. 610 1. 872 1. 00 30. 63 atoms 932 C HIS 120 51. 190 23. 321 -2. 483 1. 00 27. 89 atoms 933 O HIS 120 50. 467 24. 209 -2. 934 1. 00 28. 53 atoms 934 N SER 121 51. 524 22. 236 -3. 163 1. 00 27. 55 atoms 935 CA SER 121 51. 071 22. 030 -4. 517 1. 00 28. 43 atoms 936 CB SER 121 52. 001 21. 055 -5. 219 1. 00 29. 05 atom 937 OG SER 121 51. 649 19. 736 -4. 876 1. 00 39. 03 atom 938 C SER 121 49. 642 21. 512 -4. 531 1. 00 29. 23 atoms 939 O SER 121 48. 781 22. 064 -5. 234 1. 00 27. 16 atoms 940 N VAL 122 49. 397 20. 448 -3. 765 1. 00 24. 86 atoms 941 CA VAL 122 48. 061 19. 871 -3. 671 1. 00 19. 27 atoms 942 CB VAL 122 47. 981 18. 827 -2. 557 1. 00 18. 10 atoms 943 CG1 VAL 122 46. 710 18. 056 -2. 670 1. 00 19. 73 atoms 944 CG2 VAL 122 49. 175 17. 901 -2. 612 1. 00 14. 09 atom 945 C VAL 122 47. 122 21. 014 -3. 306 1. 00 24. 73 atoms 946 O VAL 122 46. 080 21. 214 -3. 937 1. 00 29. 01 atom 947 N TRP 123 47. 518 21. 778 -2. 294 1. 00 24. 11 atom 948 CA TRP 123 46. 736 22. 905 -1. 817 1. 00 23. 68 atoms 949 CB TRP 123 47. 474 23. 584 -0. 658 1. 00 21. 51 atom 950 CG TRP 123 46. 631 24. 562 0. 083 1. 00 24. 63 atoms 951 CD2 TRP 123 45. 661 24. 270 1. 100 1. 00 24. 83 atoms 952 CE2 TRP 123 45. 100 25. 507 1. 512 1. 00 26. 60 atoms 953 CE3 TRP 123 45. 205 23. 086 1. 703 1. 00 21. 62 atoms 954 CD1 TRP 123 46. 620 25. 922 -0. 076 1. 00 25. 58 atoms 955 NE1 TRP 123 45. 705 26. 497 0. 779 1. 00 26. 32 atoms 956 CZ2 TRP 123 44. 103 25. 589 2. 505 1. 00 23. 81 atoms 957 CZ3 TRP 123 44. 208 23. 173 2. 697 1. 00 17. 40 atoms 958 CH2 TRP 123 43. 674 24. 411 3. 080 1. 00 19. 50 atoms 959 C TRP 123 46. 437 23. 932 -2. 908 1. 00 27. 15 atoms 960 O TRP 123 45. 278 24. 340 -3. 116 1. 00 26. 13 atoms 961 N LYS 124 47. 489 24. 368 -3. 592 1. 00 27. 03 atom 962 CA LYS 124 47. 331 25. 343 -4. 652 1. 00 27. 60 atoms 963 CB LYS 124 48. 684 25. 610 -5. 310 1. 00 33. 72 atoms 964 CG LYS 124 49. 053 27. 077 -5. 428 1. 00 40. 99 atoms 965 CD LYS 124 49. 540 27. 423 -6. 833 1. 00 41. 84 atoms 966 CE LYS 124 48. 672 28. 500 -7. 485 1. 00 47. 34 atoms 967 NZ LYS 124 47. 546 28. 970 -6. 607 1. 00 50. 55 atoms 968 C LYS 124 46. 347 24. 749 -5. 669 1. 00 30. 14 atoms 969 O LYS 124 45. 470 25. 442 -6. 194 1. 00 32. 78 atom 970 N ASP 125 46. 490 23. 454 -5. 928 1. 00 24. 17 atoms 971 CA ASP 125 45. 624 22. 772 -6. 865 1. 00 26. 07 atom 972 CB ASP 125 46. 210 21. 410 -7. 197 1. 00 28. 24 atoms 973 CG ASP 125 45. 393 20. 679 -8. 211 1. 00 30. 03 atom 974 OD1 ASP 125 44. 765 19. 662 -7. 849 1. 00 31. 48 atoms 975 OD2 ASP 125 45. 375 21. 131 -9. 373 1. 00 34. 25 atoms 976 C ASP 125 44. 198 22. 602 -6. 332 1. 00 27. 25 atoms 977 O ASP 125 43. 231 22. 810 -7. 057 1. 00 23. 54 atoms 978 N LEU 126 44. 078 22. 214 -5. 061 1. 00 29. 03 atom 979 CA LEU 126 42. 777 22. 032 -4. 417 1. 00 26. 92 atoms 980 CB LEU 126 42. 953 21. 695 -2. 932 1. 00 31. 95 atoms 981 CG LEU 126 42. 677 20. 298 -2. 347 1. 00 31. 46 atoms 982 CD1 LEU 126 42. 691 19. 259 -3. 428 1. 00 31. 01 atom 983 CD2 LEU 126 43. 732 19. 964 -1. 291 1. 00 27. 21 atoms 984 C LEU 126 42. 000 23. 325 -4. 544 1. 00 28. 21 atoms 985 O LEU 126 40. 787 23. 314 -4. 721 1. 00 31. 19 atoms 986 N LEU 127 42. 695 24. 453 -4. 450 1. 00 32. 51 atoms 987 CA LEU 127 42. 021 25. 749 -4. 582 1. 00 33. 82 atoms 988 CB LEU 127 42. 862 26. 874 -3. 959 1. 00 33. 73 atoms 989 CG LEU 127 42. 570 27. 333 -2. 520 1. 00 32. 63 atoms 990 CD1 LEU 127 43. 875 27. 614 -1. 812 1. 00 32. 67 atoms 991 CD2 LEU 127 41. 709 28. 582 -2. 521 1. 00 32. 52 atoms 992 C LEU 127 41. 747 26. 071 -6. 051 1. 00 34. 67 atoms 993 O LEU 127 40. 684 26. 581 -6. 389 1. 00 35. 01 atom 994 N GLU 128 42. 697 25. 750 -6. 925 1. 00 37. 52 atoms 995 CA GLU 128 42. 554 26. 037 -8. 357 1. 00 42. 22 atoms 996 CB GLU 128 43. 903 25. 864 -9. 064 1. 00 44. 81 atoms 997 CG GLU 128 44. 962 26. 886 -8. 659 1. 00 48. 63 atoms 998 CD GLU 128 46. 323 26. 622 -9. 300 1. 00 49. 49 atoms 999 OE1 GLU 128 46. 840 25. 485 -9. 203 1. 00 41. 93 atoms 1000 OE2 GLU 128 46. 878 27. 566 -9. 904 1. 00 55. 45 atoms 1001 C GLU 128 41. 507 25. 192 -9. 090 1. 00 43. 41 atoms 1002 O GLU 128 40. 710 25. 717 -9. 882 1. 00 43. 52 atoms 1003 N ASP 129 41. 517 23. 886 -8. 829 1. 00 41. 66 atoms 1004 CA ASP 129 40. 594 22. 958 -9. 477 1. 00 40. 83 atoms 1005 CB ASP 129 41. 415 21. 847 -10. 155 1. 00 36. 59 atoms 1006 CG ASP 129 40. 556 20. 706 -10. 689 1. 00 37. 69 atoms 1007 OD1 ASP 129 41. 134 19. 702 -11. 161 1. 00 33. 70 atoms 1008 OD2 ASP 129 39. 315 20. 808 -10. 635 1. 00 33. 52 atoms 1009 C ASP 129 39. 590 22. 371 -8. 475 1. 00 42. 15 atoms 1010 O ASP 129 39. 976 21. 865 -7. 417 1. 00 46. 87 atoms 1011 N THR 130 38. 304 22. 433 -8. 811 1. 00 37. 86 atoms 1012 CA THR 130 37. 261 21. 914 -7. 930 1. 00 34. 06 Atomic 1013 CB THR 130 36. 360 23. 037 -7. 449 1. 00 33. 25 atoms 1014 OG1 THR 130 37. 053 24. 282 -7. 581 1. 00 40. 23 atoms 1015 CG2 THR 130 35. 996 22. 816 -5. 998 1. 00 40. 96 atoms 1016 C THR 130 36. 367 20. 840 -8. 543 1. 00 28. 72 atoms 1017 O THR 130 35. 238 20. 625 -8. 092 1. 00 26. 45 atoms 1018 N VAL 131 36. 869 20. 158 -9. 560 1. 00 24. 00 atom 1019 CA VAL 131 36. 084 19. 127 -10. 212 1. 00 22. 33 atoms 1020 CB VAL 131 35. 417 19. 654 -11. 529 1. 00 22. 42 atoms 1021 CG1 VAL 131 34. 437 20. 761 -11. 221 1. 00 16. 48 atoms 1022 CG2 VAL 131 36. 482 20. 152 -12. 502 1. 00 20. 73 atoms 1023 C VAL 131 36. 869 17. 876 -10. 575 1. 00 23. 48 atoms 1024 O VAL 131 36. 292 16. 799 -10. 689 1. 00 29. 07 atom 1025 N THR 132 38. 174 17. 981 -10. 748 1. 00 21. 43 atoms 1026 CA THR 132 38. 876 16. 783 -11. 167 1. 00 26. 51 atoms 1027 CB THR 132 40. 326 17. 069 -11. 656 1. 00 28. 03 atom 1028 OG1 THR 132 40. 295 18. 039 -12. 706 1. 00 29. 16 atoms 1029 CG2 THR 132 40. 979 15. 776 -12. 191 1. 00 20. 81 atoms 1030 C THR 132 38. 944 15. 695 -10. 121 1. 00 25. 49 atoms 1031 O THR 132 39. 544 15. 864 -9. 075 1. 00 21. 33 atoms 1032 N PRO 133 38. 324 14. 547 -10. 401 1. 00 24. 92 atoms 1033 CD PRO 133 37. 538 14. 190 -11. 591 1. 00 24. 51 atoms 1034 CA PRO 133 38. 373 13. 459 -9. 424 1. 00 24. 23 atoms 1035 CB PRO 133 37. 913 12. 255 -10. 222 1. 00 20. 97 atoms 1036 CG PRO 133 36. 987 12. 831 -11. 232 1. 00 23. 00 atom 1037 C PRO 133 39. 803 13. 290 -8. 921 1. 00 23. 05 atom 1038 O PRO 133 40. 754 13. 507 -9. 666 1. 00 18. 59 atoms 1039 N ILE 134 39. 971 12. 950 -7. 647 1. 00 21. 63 atoms 1040 CA ILE 134 41. 324 12. 746 -7. 172 1. 00 18. 39 atoms 1041 CB ILE 134 41. 639 13. 507 -5. 916 1. 00 16. 31 atoms 1042 CG2 ILE 134 43. 124 13. 434 -5. 668 1. 00 19. 82 atoms 1043 CG1 ILE 134 41. 243 14. 972 -6. 097 1. 00 19. 78 atoms 1044 CD1 ILE 134 41. 493 15. 852 -4. 891 1. 00 25. 49 atoms 1045 C ILE 134 41. 535 11. 287 -6. 945 1. 00 18. 04 atom 1046 O ILE 134 40. 664 10. 588 -6. 434 1. 00 20. 16 atoms 1047 N ASP 135 42. 700 10. 814 -7. 361 1. 00 20. 29 atoms 1048 CA ASP 135 43. 002 9. 406 -7. 226 1. 00 18. 18 atoms 1049 CB ASP 135 44. 367 9. 106 -7. 848 1. 00 14. 84 atoms 1050 CG ASP 135 44. 607 7. 619 -8. 020 1. 00 20. 47 atoms 1051 OD1 ASP 135 45. 680 7. 130 -7. 608 1. 00 22. 89 atoms 1052 OD2 ASP 135 43. 718 6. 931 -8. 567 1. 00 22. 60 atoms 1053 C ASP 135 42. 981 8. 934 -5. 768 1. 00 19. 45 atoms 1054 O ASP 135 43. 234 9. 704 -4. 825 1. 00 12. 97 atoms 1055 N THR 136 42. 650 7. 663 -5. 604 1. 00 17. 34 atoms 1056 CA THR 136 42. 660 7. 030 -4. 304 1. 00 18. 09 atom 1057 CB THR 136 41. 245 6. 860 -3. 722 1. 00 15. 30 atoms 1058 OG1 THR 136 40. 495 5. 971 -4. 551 1. 00 8. 12 atoms 1059 CG2 THR 136 40. 532 8. 200 -3. 614 1. 00 14. 26 atoms 1060 C THR 136 43. 253 5. 644 -4. 580 1. 00 23. 39 atoms 1061 O THR 136 43. 281 5. 183 -5. 731 1. 00 21. 41 atoms 1062 N THR 137 43. 752 4. 995 -3. 533 1. 00 21. 68 atoms 1063 CA THR 137 44. 305 3. 665 -3. 669 1. 00 21. 26 atoms 1064 CB THR 137 45. 685 3. 564 -3. 016 1. 00 26. 31 atom 1065 OG1 THR 137 46. 610 4. 402 -3. 726 1. 00 28. 90 atoms 1066 CG2 THR 137 46. 163 2. 103 -3. 014 1. 00 16. 36 atoms 1067 C THR 137 43. 340 2. 775 -2. 922 1. 00 24. 37 atoms 1068 O THR 137 42. 654 3. 238 -2. 014 1. 00 28. 21 atoms 1069 N ILE 138 43. 268 1. 507 -3. 289 1. 00 24. 64 atoms 1070 CA ILE 138 42. 360 0. 601 -2. 603 1. 00 25. 62 atoms 1071 CB ILE 138 41. 184 0. 248 -3. 527 1. 00 25. 74 atoms 1072 CG2 ILE 138 41. 709 -0. 457 -4. 785 1. 00 30. 99 atoms 1073 CG1 ILE 138 40. 196 -0. 663 -2. 806 1. 00 24. 67 atoms 1074 CD1 ILE 138 39. 051 -1. 123 -3. 679 1. 00 17. 63 atoms 1075 C ILE 138 43. 112 -0. 675 -2. 211 1. 00 28. 00 atom 1076 O ILE 138 43. 899 -1. 196 -2. 997 1. 00 28. 97 atoms 1077 N MET 139 42. 881 -1. 174 -0. 998 1. 00 30. 48 atoms 1078 CA MET 139 43. 550 -2. 398 -0. 537 1. 00 26. 65 atoms 1079 CB MET 139 44. 801 -2. 089 0. 293 1. 00 27. 97 atoms 1080 CG MET 139 45. 626 -0. 917 -0. 152 1. 00 29. 19 atoms 1081 SD MET 139 47. 011 -1. 427 -1. 169 1. 00 34. 62 atoms 1082 CE MET 139 47. 603 -2. 919 -0. 310 1. 00 32. 02 atom 1083 C MET 139 42. 668 -3. 273 0. 328 1. 00 26. 27 atoms 1084 O MET 139 41. 647 -2. 834 0. 852 1. 00 26. 36 atoms 1085 N ALA 140 43. 094 -4. 520 0. 480 1. 00 26. 30 atoms 1086 CA ALA 140 42. 408 -5. 484 1. 319 1. 00 29. 53 atoms 1087 CB ALA 140 42. 590 -6. 870 0. 763 1. 00 34. 69 atoms 1088 C ALA 140 43. 087 -5. 374 2. 677 1. 00 33. 12 atoms 1089 O ALA 140 44. 294 -5. 593 2. 779 1. 00 34. 39 atoms 1090 N LYS 141 42. 331 -5. 018 3. 716 1. 00 35. 05 atom 1091 CA LYS 141 42. 923 -4. 883 5. 045 1. 00 32. 82 atoms 1092 CB LYS 141 41. 940 -4. 202 6. 011 1. 00 34. 61 atoms 1093 CG LYS 141 42. 343 -2. 775 6. 410 1. 00 36. 26 atoms 1094 CD LYS 141 41. 601 -2. 310 7. 678 1. 00 46. 84 atoms 1095 CE LYS 141 41. 236 -0. 805 7. 655 1. 00 47. 24 atoms 1096 NZ LYS 141 42. 184 0. 072 8. 439 1. 00 40. 93 atoms 1097 C LYS 141 43. 345 -6. 242 5. 589 1. 00 29. 67 atoms 1098 O LYS 141 42. 719 -7. 260 5. 303 1. 00 29. 80 atoms 1099 N ASN 142 44. 425 -6. 256 6. 360 1. 00 31. 23 atoms 1100 CA ASN 142 44. 923 -7. 496 6. 949 1. 00 30. 24 atoms 1101 CB ASN 142 46. 396 -7. 706 6. 591 1. 00 33. 52 atoms 1102 CG ASN 142 46. 609 -8. 065 5. 126 1. 00 34. 71 atoms 1103 OD1 ASN 142 47. 347 -8. 991 4. 817 1. 00 38. 81 atoms 1104 ND2 ASN 142 45. 977 -7. 330 4. 225 1. 00 37. 08 atom 1105 C ASN 142 44. 796 -7. 412 8. 470 1. 00 29. 20 atoms 1106 O ASN 142 45. 648 -6. 803 9. 126 1. 00 29. 53 atoms 1107 N GLU 143 43. 734 -7. 990 9. 031 1. 00 23. 30 atoms 1108 CA GLU 143 43. 556 -7. 979 10. 483 1. 00 21. 14 atoms 1109 CB GLU 143 42. 520 -6. 945 10. 924 1. 00 17. 55 atoms 1110 CG GLU 143 41. 199 -7. 006 10. 249 1. 00 17. 18 atoms 1111 CD GLU 143 40. 522 -5. 652 10. 216 1. 00 23. 57 atoms 1112 OE1 GLU 143 41. 225 -4. 620 10. 318 1. 00 27. 69 atoms 1113 OE2 GLU 143 39. 284 -5. 607 10. 087 1. 00 30. 88 atoms 1114 C GLU 143 43. 142 -9. 368 10. 890 1. 00 17. 20 atoms 1115 O GLU 143 42. 574 -10. 093 10. 097 1. 00 18. 93 atoms 1116 N VAL 144 43. 418 -9. 760 12. 121 1. 00 17. 94 atoms 1117 CA VAL 144 43. 092 -11. 126 12. 486 1. 00 20. 65 atoms 1118 CB VAL 144 44. 297 -11. 807 13. 201 1. 00 20. 49 atoms 1119 CG1 VAL 144 45. 518 -10. 910 13. 115 1. 00 16. 50 atoms 1120 CG2 VAL 144 43. 962 -12. 141 14. 635 1. 00 18. 24 atoms 1121 C VAL 144 41. 812 -11. 342 13. 263 1. 00 20. 00 atom 1122 O VAL 144 41. 355 -10. 476 13. 985 1. 00 24. 75 atoms 1123 N PHE 145 41. 250 -12. 528 13. 078 1. 00 19. 07 atom 1124 CA PHE 145 40. 002 -12. 946 13. 694 1. 00 16. 80 atoms 1125 CB PHE 145 38. 850 -12. 777 12. 687 1. 00 12. 26 atoms 1126 CG PHE 145 38. 573 -11. 358 12. 318 1. 00 15. 43 atoms 1127 CD1 PHE 145 38. 838 -10. 891 11. 022 1. 00 16. 74 atoms 1128 CD2 PHE 145 38. 076 -10. 470 13. 261 1. 00 12. 81 atoms 1129 CE1 PHE 145 38. 614 -9. 551 10. 673 1. 00 10. 56 atoms 1130 CE2 PHE 145 37. 848 -9. 117 12. 924 1. 00 14. 36 atoms 1131 CZ PHE 145 38. 120 -8. 662 11. 624 1. 00 12. 18 atoms 1132 C PHE 145 40. 091 -14. 421 14. 082 1. 00 16. 98 atoms 1133 O PHE 145 41. 146 -15. 058 13. 975 1. 00 19. 51 atoms 1134 N CYS 146 38. 960 -14. 959 14. 513 1. 00 15. 55 atoms 1135 CA CYS 146 38. 861 -16. 353 14. 886 1. 00 19. 61 atoms 1136 CB CYS 146 38. 352 -16. 479 16. 325 1. 00 20. 46 atoms 1137 SG CYS 146 38. 349 -18. 152 16. 978 1. 00 29. 33 atoms 1138 C CYS 146 37. 826 -16. 887 13. 918 1. 00 22. 54 atoms 1139 O CYS 146 36. 852 -16. 197 13. 631 1. 00 24. 05 atom 1140 N VAL 147 38. 025 -18. 096 13. 408 1. 00 27. 04 atom 1141 CA VAL 147 37. 070 -18. 648 12. 462 1. 00 38. 78 atoms 1142 CB VAL 147 37. 428 -20. 088 12. 078 1. 00 40. 45 atoms 1143 CG1 VAL 147 38. 929 -20. 190 11. 844 1. 00 37. 73 atoms 1144 CG2 VAL 147 36. 962 -21. 050 13. 167 1. 00 40. 03 atom 1145 C VAL 147 35. 668 -18. 609 13. 046 1. 00 42. 25 atoms 1146 O VAL 147 35. 485 -18. 844 14. 239 1. 00 43. 36 atoms 1147 N GLN 148 34. 695 -18. 293 12. 192 1. 00 52. 45 atoms 1148 CA GLN 148 33. 294 -18. 181 12. 585 1. 00 58. 94 atoms 1149 CB GLN 148 32. 375 -18. 223 11. 360 1. 00 62. 76 atoms 1150 CG GLN 148 31. 141 -17. 310 11. 473 1. 00 69. 47 atoms 1151 CD GLN 148 30. 518 -16. 967 10. 120 1. 00 72. 76 atoms 1152 OE1 GLN 148 30. 620 -15. 834 9. 644 1. 00 72. 30 atoms 1153 NE2 GLN 148 29. 866 -17. 949 9. 499 1. 00 73. 42 atoms 1154 C GLN 148 32. 922 -19. 294 13. 537 1. 00 61. 80 atoms 1155 O GLN 148 33. 311 -20. 447 13. 338 1. 00 61. 76 atoms 1156 N PRO 149 32. 157 -18. 956 14. 591 1. 00 63. 58 atoms 1157 CD PRO 149 31. 641 -17. 602 14. 865 1. 00 63. 75 atoms 1158 CA PRO 149 31. 717 -19. 920 15. 606 1. 00 64. 07 atom 1159 CB PRO 149 30. 373 -19. 359 16. 072 1. 00 64. 66 atoms 1160 CG PRO 149 30. 410 -17. 863 15. 711 1. 00 65. 09 atom 1161 C PRO 149 31. 577 -21. 294 14. 983 1. 00 64. 02 atom 1162 O PRO 149 32. 248 -22. 251 15. 381 1. 00 60. 51 atoms 1163 N GLU 150 30. 702 -21. 356 13. 983 1. 00 64. 24 atoms 1164 CA GLU 150 30. 440 -22. 576 13. 243 1. 00 65. 65 atoms 1165 CB GLU 150 29. 245 -22. 375 12. 308 1. 00 64. 12 atoms 1166 CG GLU 150 28. 904 -20. 909 12. 036 1. 00 65. 02 atom 1167 CD GLU 150 27. 507 -20. 534 12. 510 1. 00 65. 10 atoms 1168 OE1 GLU 150 26. 913 -21. 330 13. 273 1. 00 61. 66 atoms 1169 OE2 GLU 150 27. 007 -19. 449 12. 123 1. 00 62. 67 atoms 1170 C GLU 150 31. 688 -22. 911 12. 430 1. 00 67. 55 atoms 1171 O GLU 150 32. 228 -22. 046 11. 726 1. 00 68. 49 atoms 1172 N LYS 151 32. 146 -24. 159 12. 543 1. 00 66. 38 atoms 1173 CA LYS 151 33. 328 -24. 620 11. 818 1. 00 63. 34 atoms 1174 CB LYS 151 33. 522 -26. 135 12. 006 1. 00 62. 68 atoms 1175 CG LYS 151 34. 936 -26. 532 12. 446 1. 00 61. 87 atoms 1176 CD LYS 151 35. 330 -27. 903 11. 918 1. 00 62. 09 atom 1177 CE LYS 151 36. 406 -27. 813 10. 847 1. 00 59. 59 atoms 1178 NZ LYS 151 36. 715 -29. 162 10. 279 1. 00 57. 99 atoms 1179 C LYS 151 33. 213 -24. 282 10. 330 1. 00 60. 40 atoms 1180 O LYS 151 32. 533 -24. 966 9. 559 1. 00 59. 04 atom 1181 N GLY 152 33. 889 -23. 208 9. 943 1. 00 57. 56 atoms 1182 CA GLY 152 33. 862 -22. 772 8. 565 1. 00 51. 32 atoms 1183 C GLY 152 33. 977 -21. 269 8. 492 1. 00 45. 79 atoms 1184 O GLY 152 35. 070 -20. 725 8. 638 1. 00 45. 11 atoms 1185 N GLY 153 32. 841 -20. 611 8. 280 1. 00 42. 64 atoms 1186 CA GLY 153 32. 798 -19. 163 8. 173 1. 00 40. 81 atoms 1187 C GLY 153 34. 094 -18. 404 8. 402 1. 00 38. 58 atoms 1188 O GLY 153 34. 712 -18. 507 9. 461 1. 00 38. 72 atoms 1189 N ARG 154 34. 499 -17. 632 7. 399 1. 00 35. 69 atoms 1190 CA ARG 154 35. 709 -16. 820 7. 472 1. 00 33. 89 atoms 1191 CB ARG 154 36. 839 -17. 486 6. 677 1. 00 37. 54 atoms 1192 CG ARG 154 38. 090 -17. 857 7. 489 1. 00 34. 13 atoms 1193 CD ARG 154 39. 211 -18. 305 6. 554 1. 00 32. 60 atoms 1194 NE ARG 154 40. 342 -18. 930 7. 236 1. 00 28. 80 atoms 1195 CZ ARG 154 40. 262 -20. 030 7. 974 1. 00 28. 75 atoms 1196 NH1 ARG 154 39. 091 -20. 644 8. 138 1. 00 25. 45 atoms 1197 NH2 ARG 154 41. 365 -20. 523 8. 532 1. 00 22. 79 atoms 1198 C ARG 154 35. 349 -15. 472 6. 853 1. 00 32. 85 atoms 1199 O ARG 154 34. 777 -15. 417 5. 765 1. 00 36. 37 atoms 1200 N LYS 155 35. 666 -14. 386 7. 539 1. 00 27. 50 atoms 1201 CA LYS 155 35. 334 -13. 073 7. 026 1. 00 28. 54 atoms 1202 CB LYS 155 35. 253 -12. 071 8. 178 1. 00 31. 26 atoms 1203 CG LYS 155 33. 956 -12. 101 8. 960 1. 00 40. 17 atoms 1204 CD LYS 155 34. 057 -12. 968 10. 230 1. 00 43. 63 atoms 1205 CE LYS 155 33. 901 -12. 123 11. 498 1. 00 43. 66 atoms 1206 NZ LYS 155 34. 164 -10. 671 11. 242 1. 00 44. 91 atoms 1207 C LYS 155 36. 328 -12. 560 5. 984 1. 00 32. 85 atoms 1208 O LYS 155 37. 554 -12. 615 6. 177 1. 00 33. 24 atoms 1209 N PRO 156 35. 816 -12. 093 4. 839 1. 00 29. 41 atom 1210 CD PRO 156 34. 400 -12. 109 4. 434 1. 00 31. 41 atoms 1211 CA PRO 156 36. 694 -11. 569 3. 794 1. 00 26. 76 atoms 1212 CB PRO 156 35. 775 -11. 421 2. 582 1. 00 32. 64 atoms 1213 CG PRO 156 34. 395 -11. 332 3. 151 1. 00 33. 94 atoms 1214 C PRO 156 37. 264 -10. 228 4. 222 1. 00 21. 47 atoms 1215 O PRO 156 36. 611 -9. 493 4. 941 1. 00 15. 73 atoms 1216 N ALA 157 38. 465 -9. 908 3. 752 1. 00 19. 11 atoms 1217 CA ALA 157 39. 114 -8. 658 4. 095 1. 00 23. 05 atom 1218 CB ALA 157 40. 338 -8. 452 3. 232 1. 00 20. 61 atoms 1219 C ALA 157 38. 213 -7. 442 3. 988 1. 00 27. 93 atoms 1220 O ALA 157 37. 155 -7. 481 3. 380 1. 00 31. 73 atoms 1221 N ARG 158 38. 661 -6. 359 4. 608 1. 00 31. 17 atoms 1222 CA ARG 158 37. 966 -5. 090 4. 596 1. 00 30. 61 atoms 1223 CB ARG 158 38. 108 -4. 402 5. 953 1. 00 39. 25 atoms 1224 CG ARG 158 36. 921 -4. 522 6. 895 1. 00 46. 67 atoms 1225 CD ARG 158 36. 243 -3. 165 7. 074 1. 00 56. 19 atoms 1226 NE ARG 158 36. 734 -2. 328 8. 184 1. 00 62. 33 atoms 1227 CZ ARG 158 37. 968 -2. 314 8. 699 1. 00 65. 03 atom 1228 NH1 ARG 158 38. 921 -3. 111 8. 238 1. 00 62. 19 atoms 1229 NH2 ARG 158 38. 252 -1. 462 9. 683 1. 00 66. 14 atoms 1230 C ARG 158 38. 729 -4. 291 3. 555 1. 00 30. 37 atoms 1231 O ARG 158 39. 953 -4. 405 3. 468 1. 00 30. 08 atom 1232 N LEU 159 38. 033 -3. 478 2. 771 1. 00 28. 48 atoms 1233 CA LEU 159 38. 720 -2. 704 1. 758 1. 00 26. 77 atoms 1234 CB LEU 159 37. 950 -2. 748 0. 440 1. 00 25. 42 atoms 1235 CG LEU 159 37. 459 -4. 091 -0. 085 1. 00 28. 81 atoms 1236 CD1 LEU 159 37. 558 -4. 057 -1. 589 1. 00 26. 63 atoms 1237 CD2 LEU 159 38. 260 -5. 249 0. 496 1. 00 25. 80 atoms 1238 C LEU 159 38. 895 -1. 259 2. 160 1. 00 25. 74 atoms 1239 O LEU 159 37. 904 -0. 526 2. 245 1. 00 28. 64 atoms 1240 N ILE 160 40. 132 -0. 839 2. 419 1. 00 22. 24 atoms 1241 CA ILE 160 40. 351 0. 559 2. 759 1. 00 19. 95 atoms 1242 CB ILE 160 41. 538 0. 755 3. 759 1. 00 24. 51 atoms 1243 CG2 ILE 160 42. 848 0. 394 3. 120 1. 00 24. 22 atoms 1244 CG1 ILE 160 41. 594 2. 222 4. 228 1. 00 33. 48 atoms 1245 CD1 ILE 160 41. 084 2. 491 5. 672 1. 00 30. 14 atoms 1246 C ILE 160 40. 566 1. 354 1. 465 1. 00 20. 39 atoms 1247 O ILE 160 40. 938 0. 813 0. 417 1. 00 23. 89 atoms 1248 N VAL 161 40. 270 2. 640 1. 530 1. 00 20. 34 atoms 1249 CA VAL 161 40. 392 3. 513 0. 384 1. 00 13. 51 atoms 1250 CB VAL 161 39. 002 3. 776 -0. 226 1. 00 17. 37 atoms 1251 CG1 VAL 161 39. 122 4. 782 -1. 383 1. 00 15. 61 atoms 1252 CG2 VAL 161 38. 377 2. 453 -0. 686 1. 00 11. 77 atoms 1253 C VAL 161 40. 958 4. 821 0. 903 1. 00 16. 32 atoms 1254 O VAL 161 40. 330 5. 469 1. 725 1. 00 13. 98 atoms 1255 N PHE 162 42. 135 5. 215 0. 432 1. 00 18. 09 atom 1256 CA PHE 162 42. 738 6. 456 0. 913 1. 00 19. 73 atoms 1257 CB PHE 162 43. 746 6. 135 2. 000 1. 00 19. 06 Atomic 1258 CG PHE 162 44. 793 5. 155 1. 569 1. 00 23. 11 atoms 1259 CD1 PHE 162 46. 062 5. 595 1. 188 1. 00 24. 58 atoms 1260 CD2 PHE 162 44. 524 3. 792 1. 557 1. 00 19. 16 atoms 1261 CE1 PHE 162 47. 036 4. 691 0. 813 1. 00 19. 74 atoms 1262 CE2 PHE 162 45. 498 2. 878 1. 182 1. 00 18. 01 atom 1263 CZ PHE 162 46. 759 3. 330 0. 810 1. 00 18. 62 atoms 1264 C PHE 162 43. 450 7. 247 -0. 177 1. 00 18. 75 atoms 1265 O PHE 162 44. 021 6. 665 -1. 092 1. 00 13. 27 atoms 1266 N PRO 163 43. 438 8. 591 -0. 072 1. 00 19. 79 atoms 1267 CD PRO 163 42. 825 9. 385 1. 011 1. 00 20. 08 atom 1268 CA PRO 163 44. 099 9. 451 -1. 062 1. 00 18. 01 atom 1269 CB PRO 163 43. 549 10. 845 -0. 754 1. 00 14. 92 atoms 1270 CG PRO 163 43. 317 10. 820 0. 718 1. 00 13. 92 atoms 1271 C PRO 163 45. 617 9. 368 -0. 851 1. 00 22. 20 atoms 1272 O PRO 163 46. 119 8. 424 -0. 228 1. 00 24. 81 atoms 1273 N ASP 164 46. 344 10. 352 -1. 364 1. 00 22. 65 atoms 1274 CA ASP 164 47. 798 10. 363 -1. 231 1. 00 22. 44 atoms 1275 CB ASP 164 48. 437 10. 919 -2. 528 1. 00 21. 02 atom 1276 CG ASP 164 49. 979 10. 885 -2. 515 1. 00 25. 45 atoms 1277 OD1 ASP 164 50. 596 11. 960 -2. 340 1. 00 26. 87 atoms 1278 OD2 ASP 164 50. 578 9. 796 -2. 698 1. 00 23. 16 atoms 1279 C ASP 164 48. 189 11. 214 -0. 020 1. 00 21. 82 atoms 1280 O ASP 164 47. 461 12. 134 0. 369 1. 00 11. 22 atoms 1281 N LEU 165 49. 339 10. 878 0. 561 1. 00 23. 17 atoms 1282 CA LEU 165 49. 901 11. 567 1. 714 1. 00 24. 29 atoms 1283 CB LEU 165 51. 404 11. 245 1. 797 1. 00 27. 89 atoms 1284 CG LEU 165 52. 245 11. 796 2. 960 1. 00 27. 55 atoms 1285 CD1 LEU 165 51. 470 11. 627 4. 263 1. 00 29. 58 atoms 1286 CD2 LEU 165 53. 579 11. 080 3. 035 1. 00 23. 53 atoms 1287 C LEU 165 49. 700 13. 085 1. 641 1. 00 27. 92 atoms 1288 O LEU 165 49. 280 13. 739 2. 618 1. 00 26. 93 atoms 1289 N GLY 166 50. 015 13. 650 0. 484 1. 00 25. 18 atoms 1290 CA GLY 166 49. 863 15. 083 0. 324 1. 00 24. 97 atoms 1291 C GLY 166 48. 428 15. 546 0. 471 1. 00 22. 31 atoms 1292 O GLY 166 48. 161 16. 659 0. 938 1. 00 23. 62 atoms 1293 N VAL 167 47. 495 14. 710 0. 043 1. 00 18. 72 atoms 1294 CA VAL 167 46. 099 15. 076 0. 183 1. 00 22. 92 atoms 1295 CB VAL 167 45. 155 14. 096 -0. 579 1. 00 23. 81 atoms 1296 CG1 VAL 167 43. 712 14. 344 -0. 172 1. 00 17. 63 atoms 1297 CG2 VAL 167 45. 303 14. 306 -2. 082 1. 00 17. 07 atom 1298 C VAL 167 45. 834 15. 030 1. 679 1. 00 20. 19 atoms 1299 O VAL 167 45. 316 15. 988 2. 251 1. 00 25. 41 atoms 1300 N ARG 168 46. 226 13. 926 2. 306 1. 00 17. 47 atoms 1301 CA ARG 168 46. 071 13. 747 3. 748 1. 00 20. 66 atoms 1302 CB ARG 168 46. 768 12. 442 4. 184 1. 00 12. 74 atoms 1303 CG ARG 168 45. 786 11. 303 4. 520 1. 00 14. 91 atoms 1304 CD ARG 168 46. 288 9. 924 4. 153 1. 00 5. 34 atoms 1305 NE ARG 168 47. 737 9. 836 4. 279 1. 00 20. 08 atom 1306 CZ ARG 168 48. 510 8. 981 3. 616 1. 00 19. 67 atoms 1307 NH1 ARG 168 49. 826 8. 993 3. 812 1. 00 21. 17 atoms 1308 NH2 ARG 168 47. 974 8. 112 2. 771 1. 00 12. 86 atoms 1309 C ARG 168 46. 599 14. 957 4. 564 1. 00 21. 32 atoms 1310 O ARG 168 45. 901 15. 482 5. 429 1. 00 25. 92 atoms 1311 N VAL 169 47. 814 15. 417 4. 297 1. 00 20. 48 atoms 1312 CA VAL 169 48. 307 16. 562 5. 048 1. 00 20. 77 atoms 1313 CB VAL 169 49. 737 17. 006 4. 587 1. 00 17. 98 atoms 1314 CG1 VAL 169 50. 085 18. 381 5. 158 1. 00 16. 60 atoms 1315 CG2 VAL 169 50. 753 15. 998 5. 043 1. 00 18. 11 atoms 1316 C VAL 169 47. 335 17. 708 4. 813 1. 00 21. 18 atoms 1317 O VAL 169 47. 006 18. 459 5. 732 1. 00 24. 32 atoms 1318 N CYS 170 46. 865 17. 843 3. 578 1. 00 25. 10 atoms 1319 CA CYS 170 45. 930 18. 919 3. 249 1. 00 24. 67 atoms 1320 CB CYS 170 45. 744 19. 002 1. 730 1. 00 27. 71 atoms 1321 SG CYS 170 47. 076 19. 909 0. 869 1. 00 27. 54 atoms 1322 C CYS 170 44. 584 18. 731 3. 955 1. 00 22. 25 atoms 1323 O CYS 170 43. 966 19. 705 4. 416 1. 00 21. 66 atoms 1324 N GLU 171 44. 137 17. 481 4. 057 1. 00 18. 43 atoms 1325 CA GLU 171 42. 875 17. 216 4. 736 1. 00 18. 04 atom 1326 CB GLU 171 42. 587 15. 699 4. 835 1. 00 8. 34 atoms 1327 CG GLU 171 42. 052 15. 108 3. 509 1. 00 2. 27 atoms 1328 CD GLU 171 41. 409 13. 717 3. 626 1. 00 8. 05 atom 1329 OE1 GLU 171 42. 129 12. 702 3. 652 1. 00 5. 15 atoms 1330 OE2 GLU 171 40. 166 13. 633 3. 672 1. 00 9. 40 atoms 1331 C GLU 171 43. 049 17. 836 6. 106 1. 00 19. 14 atoms 1332 O GLU 171 42. 212 18. 637 6. 532 1. 00 14. 20 atoms 1333 N LYS 172 44. 170 17. 514 6. 764 1. 00 18. 46 atoms 1334 CA LYS 172 44. 446 18. 034 8. 107 1. 00 16. 81 atoms 1335 CB LYS 172 45. 820 17. 586 8. 604 1. 00 18. 96 atoms 1336 CG LYS 172 45. 843 16. 234 9. 300 1. 00 17. 24 atoms 1337 CD LYS 172 46. 653 15. 237 8. 517 1. 00 17. 70 atoms 1338 CE LYS 172 47. 112 14. 111 9. 391 1. 00 20. 07 atom 1339 NZ LYS 172 46. 802 12. 772 8. 798 1. 00 21. 38 atoms 1340 C LYS 172 44. 391 19. 550 8. 146 1. 00 17. 84 atoms 1341 O LYS 172 43. 719 20. 131 8. 989 1. 00 19. 49 atoms 1342 N MET 173 45. 094 20. 200 7. 236 1. 00 18. 73 atoms 1343 CA MET 173 45. 092 21. 649 7. 252 1. 00 25. 13 atoms 1344 CB MET 173 45. 825 22. 200 6. 025 1. 00 24. 15 atoms 1345 CG MET 173 47. 353 22. 055 6. 141 1. 00 32. 87 atoms 1346 SD MET 173 48. 276 22. 321 4. 610 1. 00 32. 61 atoms 1347 CE MET 173 48. 568 24. 104 4. 677 1. 00 29. 59 atoms 1348 C MET 173 43. 682 22. 218 7. 330 1. 00 26. 29 atoms 1349 O MET 173 43. 358 22. 984 8. 239 1. 00 25. 83 atoms 1350 N ALA 174 42. 826 21. 814 6. 404 1. 00 25. 93 atoms 1351 CA ALA 174 41. 475 22. 348 6. 378 1. 00 22. 87 atoms 1352 CB ALA 174 41. 007 22. 419 4. 946 1. 00 28. 71 atoms 1353 C ALA 174 40. 400 21. 648 7. 208 1. 00 23. 81 atoms 1354 O ALA 174 39. 341 22. 212 7. 426 1. 00 28. 91 atoms 1355 N LEU 175 40. 637 20. 447 7. 699 1. 00 20. 65 atoms 1356 CA LEU 175 39. 548 19. 799 8. 398 1. 00 20. 65 atoms 1357 CB LEU 175 39. 014 18. 672 7. 509 1. 00 16. 61 atom 1358 CG LEU 175 38. 022 19. 194 6. 474 1. 00 18. 52 atoms 1359 CD1 LEU 175 37. 617 18. 080 5. 514 1. 00 25. 09 atom 1360 CD2 LEU 175 36. 826 19. 748 7. 185 1. 00 12. 35 atoms 1361 C LEU 175 39. 764 19. 279 9. 809 1. 00 21. 36 atoms 1362 O LEU 175 38. 785 19. 044 10. 536 1. 00 21. 56 atoms 1363 N TYR 176 41. 024 19. 106 10. 199 1. 00 21. 79 atoms 1364 CA TYR 176 41. 330 18. 590 11. 521 1. 00 24. 37 atoms 1365 CB TYR 176 42. 823 18. 702 11. 801 1. 00 27. 38 atoms 1366 CG TYR 176 43. 200 18. 138 13. 149 1. 00 26. 58 atoms 1367 CD1 TYR 176 43. 467 16. 780 13. 304 1. 00 18. 36 atoms 1368 CE1 TYR 176 43. 778 16. 245 14. 541 1. 00 15. 60 atoms 1369 CD2 TYR 176 43. 255 18. 959 14. 276 1. 00 22. 63 atoms 1370 CE2 TYR 176 43. 563 18. 438 15. 520 1. 00 22. 17 atoms 1371 CZ TYR 176 43. 825 17. 081 15. 652 1. 00 21. 81 atoms 1372 OH TYR 176 44. 135 16. 572 16. 897 1. 00 24. 09 atom 1373 C TYR 176 40. 544 19. 281 12. 639 1. 00 23. 42 atoms 1374 O TYR 176 39. 834 18. 617 13. 401 1. 00 24. 86 atoms 1375 N ASP 177 40. 667 20. 602 12. 725 1. 00 19. 86 atoms 1376 CA ASP 177 39. 973 21. 381 13. 751 1. 00 24. 18 atoms 1377 CB ASP 177 40. 235 22. 895 13. 584 1. 00 24. 04 atom 1378 CG ASP 177 39. 836 23. 720 14. 830 1. 00 28. 43 atoms 1379 OD1 ASP 177 39. 646 24. 954 14. 698 1. 00 25. 72 atoms 1380 OD2 ASP 177 39. 723 23. 142 15. 940 1. 00 30. 12 atoms 1381 C ASP 177 38. 480 21. 121 13. 689 1. 00 23. 39 atoms 1382 O ASP 177 37. 858 20. 791 14. 701 1. 00 18. 65 atoms 1383 N VAL 178 37. 925 21. 278 12. 490 1. 00 26. 00 atom 1384 CA VAL 178 36. 503 21. 068 12. 241 1. 00 22. 90 atoms 1385 CB VAL 178 36. 187 21. 206 10. 734 1. 00 24. 09 atom 1386 CG1 VAL 178 34. 742 20. 761 10. 447 1. 00 21. 97 atoms 1387 CG2 VAL 178 36. 420 22. 642 10. 287 1. 00 18. 09 atom 1388 C VAL 178 36. 090 19. 673 12. 666 1. 00 22. 07 atom 1389 O VAL 178 35. 087 19. 485 13. 325 1. 00 22. 18 atoms 1390 N VAL 179 36. 896 18. 699 12. 278 1. 00 21. 01 atom 1391 CA VAL 179 36. 624 17. 296 12. 538 1. 00 19. 30 atoms 1392 CB VAL 179 37. 459 16. 452 11. 506 1. 00 17. 27 atoms 1393 CG1 VAL 179 37. 942 15. 161 12. 075 1. 00 15. 59 atom 1394 CG2 VAL 179 36. 626 16. 198 10. 280 1. 00 5. 32 atoms 1395 C VAL 179 36. 830 16. 836 13. 993 1. 00 23. 09 atom 1396 O VAL 179 36. 416 15. 729 14. 372 1. 00 24. 82 atoms 1397 N SER 180 37. 438 17. 676 14. 821 1. 00 20. 55 atoms 1398 CA SER 180 37. 638 17. 306 16. 217 1. 00 19. 50 atoms 1399 CB SER 180 39. 123 17. 268 16. 562 1. 00 17. 45 atoms 1400 OG SER 180 39. 768 18. 460 16. 176 1. 00 18. 00 atom 1401 C SER 180 36. 939 18. 278 17. 147 1. 00 22. 13 atoms 1402 O SER 180 37. 040 18. 166 18. 366 1. 00 23. 67 atoms 1403 N THR 181 36. 211 19. 225 16. 570 1. 00 22. 08 atom 1404 CA THR 181 35. 522 20. 224 17. 361 1. 00 24. 72 atoms 1405 CB THR 181 36. 063 21. 648 17. 058 1. 00 29. 04 atom 1406 OG1 THR 181 37. 417 21. 764 17. 521 1. 00 31. 21 atom 1407 CG2 THR 181 35. 222 22. 697 17. 754 1. 00 34. 02 atom 1408 C THR 181 34. 024 20. 230 17. 141 1. 00 23. 96 atoms 1409 O THR 181 33. 257 20. 222 18. 101 1. 00 25. 10 atoms 1410 N LEU 182 33. 614 20. 211 15. 878 1. 00 22. 24 atoms 1411 CA LEU 182 32. 194 20. 278 15. 517 1. 00 20. 03 atom 1412 CB LEU 182 32. 080 20. 533 14. 006 1. 00 16. 49 atoms 1413 CG LEU 182 30. 764 20. 247 13. 288 1. 00 13. 61 atoms 1414 CD1 LEU 182 30. 473 21. 285 12. 231 1. 00 10. 62 atoms 1415 CD2 LEU 182 30. 871 18. 883 12. 672 1. 00 18. 21 atoms 1416 C LEU 182 31. 239 19. 156 15. 932 1. 00 18. 70 atoms 1417 O LEU 182 30. 076 19. 411 16. 246 1. 00 17. 38 atoms 1418 N PRO 183 31. 705 17. 902 15. 949 1. 00 24. 20 atoms 1419 CD PRO 183 33. 041 17. 389 15. 603 1. 00 21. 52 atoms 1420 CA PRO 183 30. 778 16. 824 16. 345 1. 00 25. 01 atom 1421 CB PRO 183 31. 625 15. 555 16. 259 1. 00 24. 26 atoms 1422 CG PRO 183 32. 766 15. 923 15. 337 1. 00 27. 42 atoms 1423 C PRO 183 30. 150 16. 988 17. 727 1. 00 27. 49 atoms 1424 O PRO 183 28. 938 16. 860 17. 890 1. 00 25. 95 atoms 1425 N GLN 184 30. 975 17. 274 18. 722 1. 00 28. 58 atoms 1426 CA GLN 184 30. 464 17. 428 20. 075 1. 00 29. 48 atoms 1427 CB GLN 184 31. 605 17. 736 21. 046 1. 00 32. 11 atoms 1428 CG GLN 184 31. 533 16. 935 22. 326 1. 00 43. 59 atoms 1429 CD GLN 184 32. 132 17. 669 23. 513 1. 00 52. 97 atoms 1430 OE1 GLN 184 33. 004 17. 143 24. 207 1. 00 54. 15 atoms 1431 NE2 GLN 184 31. 668 18. 893 23. 750 1. 00 56. 44 atoms 1432 C GLN 184 29. 413 18. 517 20. 162 1. 00 26. 07 atom 1433 O GLN 184 28. 370 18. 341 20. 794 1. 00 26. 07 atom 1434 N VAL 185 29. 682 19. 643 19. 517 1. 00 22. 55 atoms 1435 CA VAL 185 28. 755 20. 756 19. 561 1. 00 17. 75 atoms 1436 CB VAL 185 29. 354 22. 045 18. 958 1. 00 14. 40 atoms 1437 CG1 VAL 185 28. 388 23. 213 19. 202 1. 00 9. 26 atoms 1438 CG2 VAL 185 30. 709 22. 336 19. 568 1. 00 2. 00 atom 1439 C VAL 185 27. 466 20. 447 18. 828 1. 00 19. 34 atoms 1440 O VAL 185 26. 400 20. 866 19. 260 1. 00 25. 62 atoms 1441 N VAL 186 27. 548 19. 715 17. 730 1. 00 15. 24 atoms 1442 CA VAL 186 26. 333 19. 398 16. 993 1. 00 14. 51 atoms 1443 CB VAL 186 26. 635 18. 907 15. 525 1. 00 16. 42 atoms 1444 CG1 VAL 186 25. 339 18. 383 14. 877 1. 00 4. 47 atoms 1445 CG2 VAL 186 27. 261 20. 044 14. 680 1. 00 8. 35 atoms 1446 C VAL 186 25. 513 18. 309 17. 680 1. 00 15. 94 atoms 1447 O VAL 186 24. 304 18. 431 17. 851 1. 00 17. 63 atoms 1448 N MET 187 26. 176 17. 238 18. 087 1. 00 18. 70 atoms 1449 CA MET 187 25. 467 16. 117 18. 674 1. 00 17. 25 atoms 1450 CB MET 187 26. 079 14. 814 18. 119 1. 00 18. 33 atom 1451 CG MET 187 25. 890 14. 700 16. 581 1. 00 13. 46 atoms 1452 SD MET 187 26. 973 13. 526 15. 676 1. 00 20. 52 atoms 1453 CE MET 187 26. 373 12. 004 16. 291 1. 00 20. 96 atoms 1454 C MET 187 25. 333 16. 074 20. 191 1. 00 17. 46 atoms 1455 O MET 187 24. 592 15. 251 20. 718 1. 00 20. 33 atoms 1456 N GLY 188 26. 029 16. 956 20. 895 1. 00 17. 70 atoms 1457 CA GLY 188 25. 928 16. 966 22. 347 1. 00 18. 64 atoms 1458 C GLY 188 26. 339 15. 677 23. 049 1. 00 19. 86 atoms 1459 O GLY 188 27. 277 14. 994 22. 613 1. 00 18. 30 atoms 1460 N SER 189 25. 624 15. 327 24. 118 1. 00 13. 87 atoms 1461 CA SER 189 25. 952 14. 128 24. 893 1. 00 17. 42 atoms 1462 CB SER 189 25. 061 13. 992 26. 145 1. 00 12. 03 atom 1463 OG SER 189 23. 696 14. 207 25. 843 1. 00 18. 25 atoms 1464 C SER 189 25. 862 12. 863 24. 089 1. 00 16. 25 atoms 1465 O SER 189 26. 330 11. 825 24. 524 1. 00 15. 99 atoms 1466 N SER 190 25. 252 12. 957 22. 911 1. 00 17. 69 atoms 1467 CA SER 190 25. 117 11. 812 22. 026 1. 00 13. 15 atoms 1468 CB SER 190 24. 036 12. 104 20. 984 1. 00 14. 83 atoms 1469 OG SER 190 22. 736 11. 995 21. 536 1. 00 17. 43 atoms 1470 C SER 190 26. 445 11. 462 21. 310 1. 00 15. 44 atoms 1471 O SER 190 26. 555 10. 387 20. 703 1. 00 19. 87 atoms 1472 N TYR 191 27. 441 12. 349 21. 365 1. 00 7. 89 atoms 1473 CA TYR 191 28. 720 12. 080 20. 699 1. 00 11. 45 atoms 1474 CB TYR 191 29. 500 13. 371 20. 479 1. 00 4. 60 atoms 1475 CG TYR 191 30. 682 13. 211 19. 570 1. 00 8. 04 atom 1476 CD1 TYR 191 30. 591 12. 470 18. 392 1. 00 17. 37 atoms 1477 CE1 TYR 191 31. 698 12. 339 17. 525 1. 00 15. 08 Atomic 1478 CD2 TYR 191 31. 905 13. 815 19. 868 1. 00 11. 56 atoms 1479 CE2 TYR 191 33. 006 13. 693 19. 016 1. 00 10. 55 atoms 1480 CZ TYR 191 32. 899 12. 960 17. 846 1. 00 17. 72 atoms 1481 OH TYR 191 33. 980 12. 878 16. 993 1. 00 17. 02 atom 1482 C TYR 191 29. 614 11. 086 21. 438 1. 00 13. 99 atoms 1483 O TYR 191 30. 417 11. 468 22. 281 1. 00 15. 45 atoms 1484 N GLY 192 29. 486 9. 810 21. 091 1. 00 16. 18 atoms 1485 CA GLY 192 30. 271 8. 772 21. 728 1. 00 11. 25 atoms 1486 C GLY 192 31. 754 9. 007 21. 985 1. 00 16. 97 atoms 1487 O GLY 192 32. 189 8. 813 23. 105 1. 00 18. 14 atoms 1488 N PHE 193 32. 538 9. 431 20. 990 1. 00 17. 05 atom 1489 CA PHE 193 33. 985 9. 596 21. 202 1. 00 15. 36 atoms 1490 CB PHE 193 34. 702 9. 845 19. 863 1. 00 9. 63 atoms 1491 CG PHE 193 34. 471 8. 749 18. 841 1. 00 12. 30 atoms 1492 CD1 PHE 193 33. 799 9. 024 17. 636 1. 00 9. 68 atoms 1493 CD2 PHE 193 34. 826 7. 423 19. 129 1. 00 6. 80 atoms 1494 CE1 PHE 193 33. 472 7. 995 16. 736 1. 00 6. 25 atoms 1495 CE2 PHE 193 34. 510 6. 377 18. 248 1. 00 12. 36 atoms 1496 CZ PHE 193 33. 827 6. 655 17. 045 1. 00 6. 66 atoms 1497 C PHE 193 34. 438 10. 622 22. 245 1. 00 16. 34 atoms 1498 O PHE 193 35. 632 10. 764 22. 508 1. 00 17. 70 atoms 1499 N GLN 194 33. 505 11. 338 22. 844 1. 00 13. 56 atoms 1500 CA GLN 194 33. 881 12. 299 23. 871 1. 00 15. 20 atoms 1501 CB GLN 194 32. 825 13. 400 23. 988 1. 00 12. 23 atoms 1502 CG GLN 194 31. 573 12. 947 24. 708 1. 00 6. 84 atoms 1503 CD GLN 194 30. 473 13. 965 24. 645 1. 00 8. 12 atoms 1504 OE1 GLN 194 30. 645 15. 117 25. 055 1. 00 15. 59 atoms 1505 NE2 GLN 194 29. 331 13. 555 24. 129 1. 00 8. 58 atoms 1506 C GLN 194 33. 973 11. 547 25. 209 1. 00 18. 89 atoms 1507 O GLN 194 34. 481 12. 086 26. 203 1. 00 15. 22 atoms 1508 N TYR 195 33. 492 10. 298 25. 210 1. 00 14. 89 atoms 1509 CA TYR 195 33. 467 9. 479 26. 407 1. 00 11. 78 atoms 1510 CB TYR 195 32. 137 8. 731 26. 484 1. 00 10. 12 atoms 1511 CG TYR 195 30. 923 9. 639 26. 603 1. 00 7. 64 atoms 1512 CD1 TYR 195 29. 791 9. 409 25. 835 1. 00 6. 64 atoms 1513 CE1 TYR 195 28. 684 10. 240 25. 913 1. 00 9. 04 atom 1514 CD2 TYR 195 30. 914 10. 744 27. 475 1. 00 10. 79 atoms 1515 CE2 TYR 195 29. 802 11. 587 27. 562 1. 00 3. 29 atoms 1516 CZ TYR 195 28. 691 11. 324 26. 774 1. 00 8. 40 atoms 1517 OH TYR 195 27. 584 12. 144 26. 797 1. 00 10. 79 atoms 1518 C TYR 195 34. 603 8. 494 26. 562 1. 00 15. 50 atoms 1519 O TYR 195 35. 006 7. 854 25. 600 1. 00 17. 27 atoms 1520 N SER 196 35. 139 8. 395 27. 778 1. 00 17. 84 atoms 1521 CA SER 196 36. 213 7. 441 28. 071 1. 00 17. 44 atoms 1522 CB SER 196 36. 937 7. 792 29. 383 1. 00 22. 27 atoms 1523 OG SER 196 36. 088 7. 619 30. 511 1. 00 24. 61 atoms 1524 C SER 196 35. 376 6. 196 28. 266 1. 00 17. 04 atom 1525 O SER 196 34. 159 6. 304 28. 424 1. 00 19. 71 atoms 1526 N PRO 197 35. 980 5. 003 28. 222 1. 00 15. 92 atoms 1527 CD PRO 197 37. 379 4. 613 27. 980 1. 00 13. 27 atoms 1528 CA PRO 197 35. 072 3. 861 28. 422 1. 00 18. 00 atom 1529 CB PRO 197 35. 987 2. 627 28. 421 1. 00 14. 58 atoms 1530 CG PRO 197 37. 391 3. 129 28. 250 1. 00 12. 92 atoms 1531 C PRO 197 34. 245 3. 988 29. 707 1. 00 21. 73 atoms 1532 O PRO 197 33. 088 3. 557 29. 760 1. 00 24. 27 atoms 1533 N GLY 198 34. 829 4. 609 30. 732 1. 00 25. 79 atoms 1534 CA GLY 198 34. 119 4. 779 31. 995 1. 00 21. 47 atoms 1535 C GLY 198 32. 938 5. 731 31. 928 1. 00 18. 39 atoms 1536 O GLY 198 31. 867 5. 480 32. 503 1. 00 15. 12 atoms 1537 N GLN 199 33. 123 6. 842 31. 235 1. 00 17. 90 atoms 1538 CA GLN 199 32. 033 7. 798 31. 104 1. 00 23. 69 atoms 1539 CB GLN 199 32. 587 9. 130 30. 616 1. 00 26. 63 atoms 1540 CG GLN 199 33. 592 9. 732 31. 595 1. 00 24. 77 atoms 1541 CD GLN 199 34. 400 10. 856 30. 977 1. 00 29. 54 atoms 1542 OE1 GLN 199 34. 958 10. 715 29. 889 1. 00 23. 75 atoms 1543 NE2 GLN 199 34. 470 11. 982 31. 675 1. 00 29. 26 atoms 1544 C GLN 199 30. 928 7. 279 30. 172 1. 00 24. 56 atoms 1545 O GLN 199 29. 765 7. 678 30. 288 1. 00 28. 87 atoms 1546 N ARG 200 31. 287 6. 373 29. 264 1. 00 21. 97 atoms 1547 CA ARG 200 30. 306 5. 803 28. 351 1. 00 21. 41 atoms 1548 CB ARG 200 30. 965 4. 906 27. 307 1. 00 22. 44 atoms 1549 CG ARG 200 30. 330 5. 021 25. 941 1. 00 24. 72 atoms 1550 CD ARG 200 30. 120 3. 666 25. 239 1. 00 29. 31 atom 1551 NE ARG 200 29. 402 3. 853 23. 975 1. 00 27. 95 atoms 1552 CZ ARG 200 28. 971 2. 872 23. 202 1. 00 28. 38 atoms 1553 NH1 ARG 200 29. 177 1. 603 23. 542 1. 00 39. 86 atoms 1554 NH2 ARG 200 28. 298 3. 161 22. 107 1. 00 33. 61 atom 1555 C ARG 200 29. 326 4. 976 29. 138 1. 00 20. 61 atoms 1556 O ARG 200 28. 120 4. 974 28. 858 1. 00 18. 42 atoms 1557 N VAL 201 29. 845 4. 258 30. 130 1. 00 20. 11 atoms 1558 CA VAL 201 28. 981 3. 426 30. 951 1. 00 16. 47 atoms 1559 CB VAL 201 29. 818 2. 407 31. 768 1. 00 23. 27 atoms 1560 CG1 VAL 201 30. 856 3. 125 32. 639 1. 00 23. 85 atoms 1561 CG2 VAL 201 28. 891 1. 532 32. 598 1. 00 26. 32 atoms 1562 C VAL 201 28. 118 4. 307 31. 850 1. 00 13. 87 atoms 1563 O VAL 201 26. 908 4. 103 31. 975 1. 00 8. 32 atoms 1564 N GLU 202 28. 735 5. 321 32. 441 1. 00 17. 54 atoms 1565 CA GLU 202 28. 018 6. 232 33. 326 1. 00 16. 90 atoms 1566 CB GLU 202 28. 951 7. 378 33. 752 1. 00 19. 88 atoms 1567 CG GLU 202 28. 444 8. 294 34. 881 1. 00 22. 45 atoms 1568 CD GLU 202 29. 154 9. 672 34. 925 1. 00 27. 15 atoms 1569 OE1 GLU 202 30. 263 9. 831 34. 348 1. 00 26. 78 atoms 1570 OE2 GLU 202 28. 598 10. 606 35. 548 1. 00 29. 71 atoms 1571 C GLU 202 26. 794 6. 785 32. 592 1. 00 22. 44 atoms 1572 O GLU 202 25. 698 6. 861 33. 162 1. 00 22. 88 atoms 1573 N PHE 203 26. 979 7. 124 31. 314 1. 00 19. 14 atoms 1574 CA PHE 203 25. 915 7. 693 30. 506 1. 00 15. 22 atoms 1575 CB PHE 203 26. 542 8. 408 29. 300 1. 00 17. 64 atoms 1576 CG PHE 203 25. 544 9. 051 28. 376 1. 00 21. 29 atoms 1577 CD1 PHE 203 25. 510 8. 705 27. 024 1. 00 18. 86 atoms 1578 CD2 PHE 203 24. 622 9. 989 28. 857 1. 00 19. 90 atoms 1579 CE1 PHE 203 24. 562 9. 279 26. 150 1. 00 19. 52 atoms 1580 CE2 PHE 203 23. 671 10. 576 28. 002 1. 00 19. 32 atoms 1581 CZ PHE 203 23. 639 10. 218 26. 643 1. 00 21. 32 atoms 1582 C PHE 203 24. 847 6. 677 30. 071 1. 00 18. 08 atom 1583 O PHE 203 23. 674 7. 017 29. 943 1. 00 21. 36 atoms 1584 N LEU 204 25. 222 5. 429 29. 843 1. 00 15. 58 atoms 1585 CA LEU 204 24. 208 4. 460 29. 435 1. 00 16. 10 atoms 1586 CB LEU 204 24. 862 3. 191 28. 864 1. 00 12. 24 atoms 1587 CG LEU 204 25. 732 3. 460 27. 630 1. 00 20. 18 atom 1588 CD1 LEU 204 26. 698 2. 271 27. 360 1. 00 11. 68 atoms 1589 CD2 LEU 204 24. 794 3. 757 26. 412 1. 00 15. 33 atoms 1590 C LEU 204 23. 333 4. 116 30. 641 1. 00 17. 00 atom 1591 O LEU 204 22. 107 4. 178 30. 561 1. 00 14. 29 atoms 1592 N VAL 205 23. 976 3. 754 31. 754 1. 00 18. 18 atoms 1593 CA VAL 205 23. 277 3. 406 32. 989 1. 00 17. 32 atoms 1594 CB VAL 205 24. 299 3. 141 34. 149 1. 00 21. 22 atoms 1595 CG1 VAL 205 23. 589 2. 601 35. 354 1. 00 21. 39 atoms 1596 CG2 VAL 205 25. 374 2. 141 33. 718 1. 00 13. 01 atom 1597 C VAL 205 22. 343 4. 572 33. 378 1. 00 20. 78 atoms 1598 O VAL 205 21. 143 4. 385 33. 624 1. 00 20. 38 atoms 1599 N ASN 206 22. 890 5. 780 33. 408 1. 00 22. 91 atoms 1600 CA ASN 206 22. 107 6. 966 33. 763 1. 00 25. 38 atoms 1601 CB ASN 206 22. 974 8. 216 33. 745 1. 00 26. 40 atoms 1602 CG ASN 206 23. 744 8. 389 35. 005 1. 00 19. 55 atoms 1603 OD1 ASN 206 24. 444 9. 382 35. 184 1. 00 21. 80 atoms 1604 ND2 ASN 206 23. 630 7. 416 35. 898 1. 00 23. 29 atoms 1605 C ASN 206 20. 961 7. 192 32. 815 1. 00 26. 44 atoms 1606 O ASN 206 19. 839 7. 462 33. 242 1. 00 28. 16 atoms 1607 N THR 207 21. 256 7. 127 31. 523 1. 00 24. 98 atoms 1608 CA THR 207 20. 219 7. 313 30. 530 1. 00 21. 70 atoms 1609 CB THR 207 20. 753 7. 043 29. 129 1. 00 17. 74 atoms 1610 OG1 THR 207 21. 645 8. 099 28. 752 1. 00 16. 88 atoms 1611 CG2 THR 207 19. 609 6. 968 28. 142 1. 00 22. 24 atoms 1612 C THR 207 19. 108 6. 326 30. 861 1. 00 21. 12 atoms 1613 O THR 207 17. 939 6. 694 30. 952 1. 00 20. 10 atoms 1614 N TRP 208 19. 505 5. 073 31. 052 1. 00 23. 41 atoms 1615 CA TRP 208 18. 605 3. 973 31. 400 1. 00 28. 02 atom 1616 CB TRP 208 19. 424 2. 689 31. 533 1. 00 27. 05 atom 1617 CG TRP 208 18. 613 1. 453 31. 511 1. 00 31. 65 atoms 1618 CD2 TRP 208 18. 175 0. 738 30. 352 1. 00 33. 96 atoms 1619 CE2 TRP 208 17. 439 -0. 377 30. 803 1. 00 34. 68 atoms 1620 CE3 TRP 208 18. 324 0. 937 28. 975 1. 00 33. 40 atoms 1621 CD1 TRP 208 18. 146 0. 763 32. 586 1. 00 31. 92 atoms 1622 NE1 TRP 208 17. 440 -0. 339 32. 171 1. 00 35. 78 atoms 1623 CZ2 TRP 208 16. 863 -1. 299 29. 929 1. 00 36. 13 atoms 1624 CZ3 TRP 208 17. 749 0. 019 28. 103 1. 00 31. 62 atoms 1625 CH2 TRP 208 17. 024 -1. 082 28. 586 1. 00 32. 37 atoms 1626 C TRP 208 17. 836 4. 214 32. 711 1. 00 32. 31 atoms 1627 O TRP 208 16. 647 3. 906 32. 821 1. 00 34. 09 atom 1628 N LYS 209 18. 520 4. 751 33. 716 1. 00 33. 04 atom 1629 CA LYS 209 17. 884 5. 016 35. 001 1. 00 33. 68 atoms 1630 CB LYS 209 18. 943 5. 467 36. 027 1. 00 35. 81 atoms 1631 CG LYS 209 19. 240 4. 451 37. 153 1. 00 34. 82 atoms 1632 CD LYS 209 19. 556 3. 046 36. 626 1. 00 30. 83 atoms 1633 CE LYS 209 20. 925 2. 582 37. 117 1. 00 33. 81 atoms 1634 NZ LYS 209 20. 971 1. 146 37. 574 1. 00 30. 23 atoms 1635 C LYS 209 16. 785 6. 077 34. 881 1. 00 33. 73 atoms 1636 O LYS 209 15. 681 5. 911 35. 407 1. 00 35. 70 atoms 1637 N SER 210 17. 102 7. 163 34. 185 1. 00 34. 05 atom 1638 CA SER 210 16. 188 8. 279 33. 979 1. 00 33. 11 atoms 1639 CB SER 210 16. 905 9. 384 33. 211 1. 00 31. 63 atoms 1640 OG SER 210 17. 028 9. 031 31. 838 1. 00 26. 49 atoms 1641 C SER 210 14. 932 7. 896 33. 208 1. 00 36. 12 atoms 1642 O SER 210 14. 069 8. 733 32. 955 1. 00 38. 49 atoms 1643 N LYS 211 14. 836 6. 638 32. 812 1. 00 37. 66 atoms 1644 CA LYS 211 13. 683 6. 188 32. 062 1. 00 38. 76 atoms 1645 CB LYS 211 14. 154 5. 357 30. 865 1. 00 39. 23 atoms 1646 CG LYS 211 14. 039 6. 076 29. 532 1. 00 43. 26 atoms 1647 CD LYS 211 14. 542 7. 523 29. 589 1. 00 36. 45 atoms 1648 CE LYS 211 15. 434 7. 817 28. 384 1. 00 35. 75 atoms 1649 NZ LYS 211 15. 475 9. 271 28. 025 1. 00 36. 57 atoms 1650 C LYS 211 12. 756 5. 360 32. 953 1. 00 41. 48 atoms 1651 O LYS 211 13. 161 4. 326 33. 493 1. 00 40. 77 atoms 1652 N LYS 212 11. 514 5. 815 33. 108 1. 00 41. 02 atom 1653 CA LYS 212 10. 539 5. 100 33. 922 1. 00 39. 98 atoms 1654 CB LYS 212 9. 167 5. 736 33. 779 1. 00 38. 68 atoms 1655 CG LYS 212 8. 418 5. 845 35. 095 1. 00 38. 52 atoms 1656 CD LYS 212 7. 007 6. 349 34. 886 1. 00 40. 92 atoms 1657 CE LYS 212 6. 969 7. 864 34. 750 1. 00 39. 61 atoms 1658 NZ LYS 212 8. 305 8. 448 34. 458 1. 00 39. 84 atoms 1659 C LYS 212 10. 472 3. 650 33. 477 1. 00 42. 66 atoms 1660 O LYS 212 10. 675 2. 720 34. 272 1. 00 43. 97 atoms 1661 N ASN 213 10. 176 3. 460 32. 198 1. 00 43. 21 atom 1662 CA ASN 213 10. 111 2. 123 31. 632 1. 00 44. 99 atoms 1663 CB ASN 213 8. 687 1. 812 31. 218 1. 00 44. 32 atoms 1664 CG ASN 213 7. 848 1. 389 32. 394 1. 00 47. 00 atom 1665 OD1 ASN 213 7. 978 0. 264 32. 885 1. 00 47. 23 atoms 1666 ND2 ASN 213 6. 994 2. 291 32. 871 1. 00 44. 11 atoms 1667 C ASN 213 11. 077 2. 061 30. 457 1. 00 45. 25 atoms 1668 O ASN 213 10. 706 2. 296 29. 302 1. 00 48. 85 atoms 1669 N PRO 214 12. 347 1. 740 30. 754 1. 00 42. 66 atoms 1670 CD PRO 214 12. 779 1. 421 32. 126 1. 00 41. 11 atoms 1671 CA PRO 214 13. 465 1. 629 29. 815 1. 00 38. 85 atoms 1672 CB PRO 214 14. 679 1. 443 30. 730 1. 00 39. 58 atoms 1673 CG PRO 214 14. 122 0. 774 31. 913 1. 00 40. 23 atoms 1674 C PRO 214 13. 414 0. 552 28. 745 1. 00 33. 30 atoms 1675 O PRO 214 13. 110 -0. 612 29. 022 1. 00 29. 69 atoms 1676 N MET 215 13. 727 0. 972 27. 520 1. 00 29. 02 atom 1677 CA MET 215 13. 797 0. 076 26. 372 1. 00 28. 18 atoms 1678 CB MET 215 12. 484 0. 020 25. 590 1. 00 31. 27 atoms 1679 CG MET 215 12. 454 -1. 102 24. 548 1. 00 32. 65 atoms 1680 SD MET 215 13. 237 -0. 662 22. 962 1. 00 44. 77 atoms 1681 CE MET 215 12. 148 0. 671 22. 382 1. 00 31. 33 atoms 1682 C MET 215 14. 869 0. 639 25. 481 1. 00 25. 30 atoms 1683 O MET 215 14. 883 1. 830 25. 208 1. 00 23. 84 atoms 1684 N GLY 216 15. 772 -0. 224 25. 045 1. 00 22. 88 atoms 1685 CA GLY 216 16. 840 0. 215 24. 184 1. 00 26. 69 atoms 1686 C GLY 216 17. 160 -0. 813 23. 126 1. 00 28. 78 atoms 1687 O GLY 216 16. 853 -1. 996 23. 283 1. 00 24. 75 atoms 1688 N PHE 217 17. 778 -0. 344 22. 046 1. 00 27. 24 atoms 1689 CA PHE 217 18. 162 -1. 197 20. 938 1. 00 22. 26 atoms 1690 CB PHE 217 17. 000 -1. 345 19. 931 1. 00 21. 51 atoms 1691 CG PHE 217 16. 623 -0. 057 19. 212 1. 00 24. 23 atoms 1692 CD1 PHE 217 15. 596 0. 761 19. 701 1. 00 18. 03 atom 1693 CD2 PHE 217 17. 322 0. 359 18. 066 1. 00 24. 84 atoms 1694 CE1 PHE 217 15. 277 1. 974 19. 070 1. 00 14. 77 atoms 1695 CE2 PHE 217 17. 007 1. 582 17. 426 1. 00 17. 90 atoms 1696 CZ PHE 217 15. 986 2. 384 17. 933 1. 00 18. 19 atoms 1697 C PHE 217 19. 380 -0. 619 20. 230 1. 00 23. 61 atoms 1698 O PHE 217 19. 649 0. 595 20. 273 1. 00 18. 23 atoms 1699 N SER 218 20. 130 -1. 504 19. 588 1. 00 21. 59 atoms 1700 CA SER 218 21. 273 -1. 075 18. 837 1. 00 20. 66 atoms 1701 CB SER 218 22. 447 -2. 013 19. 053 1. 00 18. 24 atoms 1702 OG SER 218 22. 156 -3. 312 18. 588 1. 00 31. 33 atoms 1703 C SER 218 20. 752 -1. 166 17. 425 1. 00 18. 59 atoms 1704 O SER 218 19. 708 -1. 733 17. 192 1. 00 22. 08 atom 1705 N TYR 219 21. 453 -0. 570 16. 487 1. 00 20. 71 atoms 1706 CA TYR 219 21. 031 -0. 629 15. 115 1. 00 24. 24 atoms 1707 CB TYR 219 20. 477 0. 718 14. 653 1. 00 25. 03 atom 1708 CG TYR 219 19. 842 0. 621 13. 290 1. 00 30. 08 atom 1709 CD1 TYR 219 18. 504 0. 242 13. 155 1. 00 28. 21 atoms 1710 CE1 TYR 219 17. 921 0. 080 11. 902 1. 00 28. 31 atoms 1711 CD2 TYR 219 20. 582 0. 849 12. 132 1. 00 23. 75 atoms 1712 CE2 TYR 219 20. 003 0. 688 10. 871 1. 00 26. 41 atoms 1713 CZ TYR 219 18. 677 0. 298 10. 765 1. 00 25. 69 atoms 1714 OH TYR 219 18. 123 0. 059 9. 531 1. 00 24. 99 atoms 1715 C TYR 219 22. 281 -0. 961 14. 343 1. 00 25. 43 atoms 1716 O TYR 219 23. 206 -0. 153 14. 297 1. 00 26. 39 atoms 1717 N ASP 220 22. 329 -2. 156 13. 769 1. 00 28. 31 atom 1718 CA ASP 220 23. 496 -2. 558 12. 996 1. 00 31. 56 atoms 1719 CB ASP 220 23. 830 -4. 030 13. 226 1. 00 33. 93 atoms 1720 CG ASP 220 25. 261 -4. 361 12. 827 1. 00 42. 92 atoms 1721 OD1 ASP 220 26. 170 -3. 557 13. 165 1. 00 40. 05 Atomic 1722 OD2 ASP 220 25. 476 -5. 410 12. 170 1. 00 44. 65 atoms 1723 C ASP 220 23. 227 -2. 320 11. 520 1. 00 33. 04 atom 1724 O ASP 220 22. 497 -3. 073 10. 877 1. 00 31. 00 atom 1725 N THR 221 23. 808 -1. 263 10. 980 1. 00 32. 02 atom 1726 CA THR 221 23. 591 -0. 958 9. 581 1. 00 38. 44 atoms 1727 CB THR 221 23. 564 0. 584 9. 406 1. 00 41. 81 atoms 1728 OG1 THR 221 24. 010 0. 941 8. 092 1. 00 50. 19 atoms 1729 CG2 THR 221 24. 430 1. 251 10. 476 1. 00 41. 82 atoms 1730 C THR 221 24. 656 -1. 663 8. 704 1. 00 38. 27 atoms 1731 O THR 221 25. 861 -1. 558 8. 961 1. 00 37. 56 atoms 1732 N ARG 222 24. 204 -2. 402 7. 689 1. 00 36. 38 atoms 1733 CA ARG 222 25. 105 -3. 153 6. 805 1. 00 38. 82 atoms 1734 CB ARG 222 24. 277 -4. 055 5. 887 1. 00 44. 88 atoms 1735 CG ARG 222 24. 392 -5. 532 6. 237 1. 00 55. 39 atoms 1736 CD ARG 222 24. 585 -6. 394 5. 000 1. 00 60. 84 atoms 1737 NE ARG 222 25. 888 -6. 166 4. 375 1. 00 65. 59 atoms 1738 CZ ARG 222 26. 415 -6. 937 3. 424 1. 00 66. 51 atom 1739 NH1 ARG 222 25. 751 -7. 997 2. 976 1. 00 65. 57 atoms 1740 NH2 ARG 222 27. 611 -6. 649 2. 921 1. 00 67. 20 atoms 1741 C ARG 222 26. 087 -2. 312 5. 964 1. 00 35. 30 atoms 1742 O ARG 222 25. 664 -1. 489 5. 144 1. 00 34. 68 atoms 1743 N CYS 223 27. 391 -2. 552 6. 140 1. 00 28. 37 atoms 1744 CA CYS 223 28. 425 -1. 786 5. 431 1. 00 25. 64 atoms 1745 CB CYS 223 28. 693 -2. 330 4. 026 1. 00 28. 82 atoms 1746 SG CYS 223 27. 878 -3. 882 3. 597 1. 00 38. 53 atoms 1747 C CYS 223 27. 953 -0. 345 5. 334 1. 00 24. 16 atoms 1748 O CYS 223 27. 476 0. 127 4. 296 1. 00 26. 66 atoms 1749 N PHE 224 28. 069 0. 355 6. 445 1. 00 19. 76 atoms 1750 CA PHE 224 27. 617 1. 720 6. 495 1. 00 17. 21 atom 1751 CB PHE 224 27. 856 2. 311 7. 877 1. 00 11. 71 atoms 1752 CG PHE 224 27. 251 3. 641 8. 038 1. 00 6. 54 atoms 1753 CD1 PHE 224 28. 009 4. 766 7. 904 1. 00 3. 35 atoms 1754 CD2 PHE 224 25. 892 3. 765 8. 248 1. 00 12. 53 atoms 1755 CE1 PHE 224 27. 436 6. 004 7. 966 1. 00 12. 14 atoms 1756 CE2 PHE 224 25. 299 5. 013 8. 317 1. 00 17. 37 atoms 1757 CZ PHE 224 26. 080 6. 136 8. 172 1. 00 12. 23 atoms 1758 C PHE 224 28. 303 2. 578 5. 449 1. 00 20. 24 atoms 1759 O PHE 224 27. 700 3. 501 4. 899 1. 00 18. 35 atoms 1760 N ASP 225 29. 573 2. 269 5. 197 1. 00 19. 31 atom 1761 CA ASP 225 30. 362 3. 005 4. 227 1. 00 16. 43 atoms 1762 CB ASP 225 31. 798 2. 482 4. 217 1. 00 18. 29 atoms 1763 CG ASP 225 32. 601 2. 966 5. 417 1. 00 19. 09 atom 1764 OD1 ASP 225 31. 977 3. 479 6. 366 1. 00 17. 99 atoms 1765 OD2 ASP 225 33. 845 2. 837 5. 415 1. 00 17. 38 atoms 1766 C ASP 225 29. 760 2. 899 2. 842 1. 00 17. 37 atoms 1767 O ASP 225 29. 723 3. 883 2. 110 1. 00 20. 94 atoms 1768 N SER 226 29. 261 1. 717 2. 492 1. 00 15. 11 atoms 1769 CA SER 226 28. 673 1. 514 1. 176 1. 00 14. 56 atoms 1770 CB SER 226 28. 655 0. 021 0. 851 1. 00 17. 21 atom 1771 OG SER 226 29. 953 -0. 366 0. 410 1. 00 21. 67 atoms 1772 C SER 226 27. 276 2. 113 0. 982 1. 00 14. 33 atom 1773 O SER 226 26. 799 2. 244 -0. 147 1. 00 10. 11 atoms 1774 N THR 227 26. 623 2. 490 2. 073 1. 00 9. 91 atoms 1775 CA THR 227 25. 294 3. 071 1. 971 1. 00 8. 56 atoms 1776 CB THR 227 24. 369 2. 649 3. 150 1. 00 10. 08 atom 1777 OG1 THR 227 24. 792 3. 302 4. 359 1. 00 12. 01 atom 1778 CG2 THR 227 24. 418 1. 143 3. 355 1. 00 10. 18 atoms 1779 C THR 227 25. 350 4. 574 1. 969 1. 00 6. 14 atoms 1780 O THR 227 24. 344 5. 214 1. 758 1. 00 11. 13 atoms 1781 N VAL 228 26. 513 5. 153 2. 230 1. 00 5. 87 atoms 1782 CA VAL 228 26. 582 6. 601 2. 228 1. 00 9. 08 atom 1783 CB VAL 228 27. 858 7. 094 2. 921 1. 00 7. 34 atoms 1784 CG1 VAL 228 27. 948 8. 626 2. 854 1. 00 6. 44 atoms 1785 CG2 VAL 228 27. 844 6. 631 4. 371 1. 00 9. 87 atoms 1786 C VAL 228 26. 515 7. 106 0. 781 1. 00 12. 58 atoms 1787 O VAL 228 27. 266 6. 663 -0. 092 1. 00 14. 27 atoms 1788 N THR 229 25. 599 8. 031 0. 532 1. 00 10. 63 atoms 1789 CA THR 229 25. 429 8. 566 -0. 799 1. 00 8. 72 atoms 1790 CB THR 229 23. 944 8. 879 -1. 091 1. 00 7. 09 atom 1791 OG1 THR 229 23. 484 9. 923 -0. 228 1. 00 5. 58 atoms 1792 CG2 THR 229 23. 100 7. 649 -0. 881 1. 00 5. 09 atom 1793 C THR 229 26. 245 9. 821 -1. 001 1. 00 15. 73 atoms 1794 O THR 229 26. 903 10. 327 -0. 070 1. 00 17. 77 atoms 1795 N GLU 230 26. 209 10. 321 -2. 229 1. 00 15. 28 atoms 1796 CA GLU 230 26. 933 11. 522 -2. 568 1. 00 16. 64 atoms 1797 CB GLU 230 26. 949 11. 705 -4. 082 1. 00 26. 00 atom 1798 CG GLU 230 27. 757 10. 621 -4. 804 1. 00 34. 06 Atomic 1799 CD GLU 230 28. 196 11. 032 -6. 212 1. 00 38. 31 atom 1800 OE1 GLU 230 27. 683 12. 059 -6. 730 1. 00 37. 25 atoms 1801 OE2 GLU 230 29. 042 10. 315 -6. 799 1. 00 39. 10 atoms 1802 C GLU 230 26. 170 12. 632 -1. 885 1. 00 17. 08 atom 1803 O GLU 230 26. 756 13. 625 -1. 413 1. 00 16. 22 atoms 1804 N ASN 231 24. 853 12. 447 -1. 827 1. 00 11. 51 atom 1805 CA ASN 231 23. 985 13. 406 -1. 165 1. 00 13. 50 atoms 1806 CB ASN 231 22. 547 12. 925 -1. 153 1. 00 19. 01 atom 1807 CG ASN 231 21. 666 13. 780 -0. 266 1. 00 22. 76 atoms 1808 OD1 ASN 231 21. 399 13. 441 0. 909 1. 00 20. 68 atoms 1809 ND2 ASN 231 21. 202 14. 897 -0. 820 1. 00 17. 27 atoms 1810 C ASN 231 24. 424 13. 570 0. 285 1. 00 14. 00 atom 1811 O ASN 231 24. 589 14. 691 0. 765 1. 00 13. 52 atoms 1812 N ASP 232 24. 593 12. 437 0. 974 1. 00 8. 91 atoms 1813 CA ASP 232 25. 013 12. 407 2. 372 1. 00 2. 20 atoms 1814 CB ASP 232 25. 279 10. 970 2. 794 1. 00 2. 00 atom 1815 CG ASP 232 24. 033 10. 129 2. 822 1. 00 3. 69 atom 1816 OD1 ASP 232 24. 182 8. 903 2. 689 1. 00 10. 01 atom 1817 OD2 ASP 232 22. 918 10. 669 2. 991 1. 00 2. 00 atom 1818 C ASP 232 26. 290 13. 211 2. 589 1. 00 7. 59 atom 1819 O ASP 232 26. 374 14. 055 3. 490 1. 00 6. 64 atoms 1820 N ILE 233 27. 295 12. 907 1. 765 1. 00 8. 41 atoms 1821 CA ILE 233 28. 588 13. 565 1. 820 1. 00 11. 32 atoms 1822 CB ILE 233 29. 612 12. 848 0. 900 1. 00 15. 31 atom 1823 CG2 ILE 233 30. 929 13. 593 0. 898 1. 00 9. 82 atoms 1824 CG1 ILE 233 29. 813 11. 416 1. 384 1. 00 14. 26 atoms 1825 CD1 ILE 233 29. 979 10. 419 0. 281 1. 00 19. 91 atoms 1826 C ILE 233 28. 481 15. 035 1. 420 1. 00 13. 30 atoms 1827 O ILE 233 29. 285 15. 857 1. 880 1. 00 10. 15 atoms 1828 N ARG 234 27. 498 15. 368 0. 574 1. 00 7. 69 atoms 1829 CA ARG 234 27. 331 16. 768 0. 184 1. 00 10. 10 atoms 1830 CB ARG 234 26. 530 16. 900 -1. 103 1. 00 6. 01 atom 1831 CG ARG 234 27. 417 17. 138 -2. 298 1. 00 17. 01 atom 1832 CD ARG 234 26. 619 17. 293 -3. 600 1. 00 21. 96 atoms 1833 NE ARG 234 27. 082 16. 371 -4. 630 1. 00 24. 65 atoms 1834 CZ ARG 234 26. 349 15. 365 -5. 111 1. 00 34. 89 atoms 1835 NH1 ARG 234 25. 113 15. 153 -4. 656 1. 00 34. 61 atom 1836 NH2 ARG 234 26. 851 14. 553 -6. 037 1. 00 31. 42 atoms 1837 C ARG 234 26. 625 17. 475 1. 322 1. 00 8. 60 atoms 1838 O ARG 234 26. 956 18. 600 1. 665 1. 00 14. 56 atoms 1839 N VAL 235 25. 656 16. 787 1. 905 1. 00 9. 72 atoms 1840 CA VAL 235 24. 902 17. 288 3. 039 1. 00 13. 66 atoms 1841 CB VAL 235 23. 873 16. 229 3. 508 1. 00 19. 56 atoms 1842 CG1 VAL 235 23. 341 16. 596 4. 897 1. 00 20. 84 atoms 1843 CG2 VAL 235 22. 725 16. 119 2. 487 1. 00 8. 84 atoms 1844 C VAL 235 25. 946 17. 544 4. 137 1. 00 18. 09 atom 1845 O VAL 235 25. 908 18. 550 4. 853 1. 00 15. 25 atoms 1846 N GLU 236 26. 893 16. 622 4. 250 1. 00 16. 55 atoms 1847 CA GLU 236 27. 974 16. 776 5. 209 1. 00 21. 32 atoms 1848 CB GLU 236 29. 018 15. 693 4. 987 1. 00 25. 28 atoms 1849 CG GLU 236 29. 445 14. 939 6. 205 1. 00 26. 53 atoms 1850 CD GLU 236 30. 090 13. 622 5. 831 1. 00 30. 94 atoms 1851 OE1 GLU 236 29. 355 12. 613 5. 779 1. 00 30. 71 atoms 1852 OE2 GLU 236 31. 321 13. 604 5. 585 1. 00 29. 82 atoms 1853 C GLU 236 28. 647 18. 136 5. 009 1. 00 23. 02 atom 1854 O GLU 236 28. 558 19. 013 5. 854 1. 00 27. 89 atoms 1855 N GLU 237 29. 329 18. 303 3. 882 1. 00 25. 21 atoms 1856 CA GLU 237 30. 035 19. 547 3. 581 1. 00 25. 51 atoms 1857 CB GLU 237 30. 327 19. 612 2. 087 1. 00 28. 35 atoms 1858 CG GLU 237 31. 306 20. 686 1. 692 1. 00 28. 67 atoms 1859 CD GLU 237 30. 690 21. 709 0. 744 1. 00 30. 11 atoms 1860 OE1 GLU 237 29. 455 21. 703 0. 543 1. 00 32. 75 atoms 1861 OE2 GLU 237 31. 443 22. 529 0. 196 1. 00 28. 55 atoms 1862 C GLU 237 29. 312 20. 829 4. 021 1. 00 27. 38 atoms 1863 O GLU 237 29. 936 21. 737 4. 603 1. 00 25. 26 atoms 1864 N SER 238 28. 004 20. 900 3. 758 1. 00 25. 92 atoms 1865 CA SER 238 27. 221 22. 089 4. 113 1. 00 22. 66 atoms 1866 CB SER 238 25. 820 22. 024 3. 481 1. 00 16. 27 atoms 1867 OG SER 238 24. 918 21. 202 4. 201 1. 00 20. 41 atoms 1868 C SER 238 27. 130 22. 344 5. 619 1. 00 22. 53 atoms 1869 O SER 238 26. 926 23. 481 6. 055 1. 00 23. 80 atoms 1870 N ILE 239 27. 278 21. 286 6. 408 1. 00 19. 38 atoms 1871 CA ILE 239 27. 271 21. 416 7. 863 1. 00 18. 62 atoms 1872 CB ILE 239 27. 138 20. 044 8. 548 1. 00 12. 66 atoms 1873 CG2 ILE 239 27. 433 20. 172 10. 031 1. 00 13. 29 atoms 1874 CG1 ILE 239 25. 719 19. 513 8. 320 1. 00 9. 59 atoms 1875 CD1 ILE 239 25. 482 18. 160 8. 914 1. 00 8. 77 atoms 1876 C ILE 239 28. 620 22. 050 8. 240 1. 00 19. 33 atom 1877 O ILE 239 28. 675 23. 007 9. 002 1. 00 22. 17 atoms 1878 N TYR 240 29. 706 21. 512 7. 692 1. 00 18. 63 atoms 1879 CA TYR 240 31. 033 22. 060 7. 937 1. 00 15. 25 atoms 1880 CB TYR 240 32. 101 21. 358 7. 099 1. 00 12. 94 atoms 1881 CG TYR 240 32. 232 19. 879 7. 303 1. 00 15. 61 atom 1882 CD1 TYR 240 31. 810 19. 268 8. 494 1. 00 7. 96 atoms 1883 CE1 TYR 240 31. 900 17. 894 8. 658 1. 00 14. 82 atoms 1884 CD2 TYR 240 32. 751 19. 070 6. 279 1. 00 12. 69 atoms 1885 CE2 TYR 240 32. 845 17. 684 6. 428 1. 00 13. 70 atoms 1886 CZ TYR 240 32. 412 17. 100 7. 622 1. 00 19. 88 atoms 1887 OH TYR 240 32. 459 15. 729 7. 766 1. 00 22. 17 atoms 1888 C TYR 240 31. 060 23. 524 7. 527 1. 00 17. 48 atoms 1889 O TYR 240 31. 664 24. 344 8. 210 1. 00 18. 27 atoms 1890 N GLN 241 30. 417 23. 846 6. 401 1. 00 16. 83 atoms 1891 CA GLN 241 30. 428 25. 219 5. 900 1. 00 16. 08 atom 1892 CB GLN 241 29. 932 25. 296 4. 439 1. 00 16. 21 atom 1893 CG GLN 241 30. 778 24. 585 3. 374 1. 00 9. 37 atoms 1894 CD GLN 241 32. 164 25. 184 3. 171 1. 00 17. 64 atoms 1895 OE1 GLN 241 32. 458 26. 302 3. 620 1. 00 14. 54 atoms 1896 NE2 GLN 241 33. 032 24. 432 2. 484 1. 00 16. 20 atoms 1897 C GLN 241 29. 578 26. 137 6. 768 1. 00 18. 69 atoms 1898 O GLN 241 29. 616 27. 355 6. 628 1. 00 18. 09 atom 1899 N CYS 242 28. 786 25. 560 7. 655 1. 00 19. 26 atoms 1900 CA CYS 242 27. 983 26. 385 8. 519 1. 00 17. 13 atoms 1901 CB CYS 242 26. 889 25. 548 9. 145 1. 00 16. 03 atom 1902 SG CYS 242 25. 549 25. 325 7. 971 1. 00 24. 62 atoms 1903 C CYS 242 28. 922 26. 979 9. 568 1. 00 21. 09 atom 1904 O CYS 242 28. 552 27. 911 10. 295 1. 00 19. 82 atoms 1905 N CYS 243 30. 141 26. 436 9. 617 1. 00 21. 37 atoms 1906 CA CYS 243 31. 188 26. 907 10. 534 1. 00 24. 50 atoms 1907 CB CYS 243 32. 382 25. 951 10. 579 1. 00 15. 34 atoms 1908 SG CYS 243 32. 092 24. 409 11. 389 1. 00 29. 68 atoms 1909 C CYS 243 31. 730 28. 235 10. 034 1. 00 26. 31 atoms 1910 O CYS 243 31. 511 28. 621 8. 883 1. 00 21. 13 atoms 1911 N ASP 244 32. 445 28. 920 10. 919 1. 00 28. 04 atom 1912 CA ASP 244 33. 085 30. 174 10. 580 1. 00 27. 16 atoms 1913 CB ASP 244 33. 130 31. 100 11. 784 1. 00 29. 16 atoms 1914 CG ASP 244 33. 905 32. 357 11. 514 1. 00 31. 43 atoms 1915 OD1 ASP 244 35. 117 32. 266 11. 220 1. 00 37. 16 atoms 1916 OD2 ASP 244 33. 294 33. 441 11. 590 1. 00 36. 68 atoms 1917 C ASP 244 34. 487 29. 727 10. 237 1. 00 25. 91 atoms 1918 O ASP 244 35. 279 29. 447 11. 129 1. 00 26. 07 atom 1919 N LEU 245 34. 776 29. 634 8. 944 1. 00 26. 85 atoms 1920 CA LEU 245 36. 088 29. 191 8. 467 1. 00 25. 33 atoms 1921 CB LEU 245 35. 944 27. 889 7. 661 1. 00 23. 00 atom 1922 CG LEU 245 35. 291 26. 675 8. 334 1. 00 23. 70 atoms 1923 CD1 LEU 245 34. 274 26. 094 7. 391 1. 00 24. 92 atoms 1924 CD2 LEU 245 36. 349 25. 633 8. 710 1. 00 23. 20 atoms 1925 C LEU 245 36. 846 30. 213 7. 609 1. 00 25. 10 atoms 1926 O LEU 245 36. 262 31. 073 6. 931 1. 00 19. 47 atoms 1927 N ALA 246 38. 165 30. 127 7. 661 1. 00 22. 80 atoms 1928 CA ALA 246 38. 968 31. 003 6. 841 1. 00 24. 53 atoms 1929 CB ALA 246 40. 432 30. 626 6. 981 1. 00 18. 27 atoms 1930 C ALA 246 38. 488 30. 761 5. 391 1. 00 25. 10 atoms 1931 O ALA 246 38. 089 29. 647 5. 030 1. 00 21. 52 atoms 1932 N PRO 247 38. 515 31. 802 4. 549 1. 00 25. 86 atoms 1933 CD PRO 247 38. 964 33. 168 4. 880 1. 00 26. 97 atoms 1934 CA PRO 247 38. 086 31. 683 3. 146 1. 00 24. 74 atoms 1935 CB PRO 247 38. 381 33. 070 2. 561 1. 00 24. 27 atoms 1936 CG PRO 247 38. 414 33. 994 3. 744 1. 00 23. 86 atoms 1937 C PRO 247 38. 806 30. 564 2. 363 1. 00 25. 32 atoms 1938 O PRO 247 38. 227 29. 934 1. 483 1. 00 27. 92 atoms 1939 N GLU 248 40. 070 30. 335 2. 693 1. 00 26. 43 atoms 1940 CA GLU 248 40. 895 29. 310 2. 064 1. 00 29. 15 atoms 1941 CB GLU 248 42. 361 29. 577 2. 371 1. 00 35. 18 atoms 1942 CG GLU 248 42. 988 30. 634 1. 512 1. 00 40. 16 atoms 1943 CD GLU 248 44. 358 30. 220 1. 075 1. 00 42. 56 atoms 1944 OE1 GLU 248 44. 555 29. 000 0. 850 1. 00 42. 61 atom 1945 OE2 GLU 248 45. 232 31. 109 0. 966 1. 00 46. 82 atoms 1946 C GLU 248 40. 565 27. 908 2. 561 1. 00 32. 21 atoms 1947 O GLU 248 40. 986 26. 914 1. 967 1. 00 35. 04 atom 1948 N ALA 249 39. 866 27. 829 3. 684 1. 00 26. 94 atoms 1949 CA ALA 249 39. 477 26. 542 4. 232 1. 00 27. 37 atoms 1950 CB ALA 249 39. 255 26. 651 5. 769 1. 00 26. 86 atoms 1951 C ALA 249 38. 178 26. 153 3. 524 1. 00 24. 28 atoms 1952 O ALA 249 37. 995 25. 002 3. 128 1. 00 21. 70 atoms 1953 N ARG 250 37. 293 27. 136 3. 362 1. 00 20. 43 atoms 1954 CA ARG 250 36. 021 26. 932 2. 700 1. 00 23. 31 atoms 1955 CB ARG 250 35. 296 28. 256 2. 585 1. 00 23. 72 atoms 1956 CG ARG 250 34. 488 28. 629 3. 788 1. 00 28. 13 atoms 1957 CD ARG 250 33. 625 29. 837 3. 472 1. 00 24. 38 atoms 1958 NE ARG 250 33. 181 30. 546 4. 674 1. 00 31. 26 atoms 1959 CZ ARG 250 32. 473 30. 001 5. 659 1. 00 28. 67 atoms 1960 NH1 ARG 250 32. 115 28. 727 5. 600 1. 00 28. 56 atoms 1961 NH2 ARG 250 32. 115 30. 736 6. 702 1. 00 34. 72 atoms 1962 C ARG 250 36. 224 26. 353 1. 308 1. 00 23. 99 atoms 1963 O ARG 250 35. 535 25. 426 0. 898 1. 00 24. 35 atoms 1964 N GLN 251 37. 178 26. 914 0. 580 1. 00 29. 27 atoms 1965 CA GLN 251 37. 475 26. 468 -0. 779 1. 00 34. 81 atoms 1966 CB GLN 251 38. 363 27. 506 -1. 477 1. 00 36. 88 atoms 1967 CG GLN 251 38. 883 27. 078 -2. 832 1. 00 42. 09 atom 1968 CD GLN 251 37. 819 27. 097 -3. 916 1. 00 45. 34 atoms 1969 OE1 GLN 251 36. 724 27. 641 -3. 742 1. 00 43. 73 atoms 1970 NE2 GLN 251 38. 142 26. 494 -5. 052 1. 00 49. 17 atoms 1971 C GLN 251 38. 169 25. 103 -0. 749 1. 00 33. 48 atoms 1972 O GLN 251 38. 177 24. 362 -1. 738 1. 00 34. 28 atoms 1973 N ALA 252 38. 743 24. 782 0. 404 1. 00 31. 45 atoms 1974 CA ALA 252 39. 446 23. 519 0. 609 1. 00 26. 65 atoms 1975 CB ALA 252 40. 392 23. 635 1. 821 1. 00 26. 35 atoms 1976 C ALA 252 38. 437 22. 422 0. 856 1. 00 23. 26 atoms 1977 O ALA 252 38. 566 21. 308 0. 353 1. 00 26. 20 atoms 1978 N ILE 253 37. 426 22. 762 1. 636 1. 00 20. 70 atoms 1979 CA ILE 253 36. 392 21. 826 1. 998 1. 00 25. 42 atoms 1980 CB ILE 253 35. 603 22. 364 3. 221 1. 00 26. 48 atoms 1981 CG2 ILE 253 34. 194 21. 777 3. 258 1. 00 25. 77 atoms 1982 CG1 ILE 253 36. 364 22. 012 4. 501 1. 00 23. 51 atom 1983 CD1 ILE 253 36. 576 23. 185 5. 419 1. 00 19. 45 atoms 1984 C ILE 253 35. 452 21. 548 0. 829 1. 00 28. 11 atoms 1985 O ILE 253 34. 935 20. 433 0. 690 1. 00 28. 35 atoms 1986 N LYS 254 35. 221 22. 555 -0. 010 1. 00 27. 94 atoms 1987 CA LYS 254 34. 344 22. 362 -1. 164 1. 00 27. 29 atoms 1988 CB LYS 254 34. 041 23. 692 -1. 859 1. 00 31. 22 atoms 1989 CG LYS 254 32. 903 23. 619 -2. 849 1. 00 32. 19 atoms 1990 CD LYS 254 33. 313 24. 099 -4. 223 1. 00 36. 74 atoms 1991 CE LYS 254 32. 348 25. 160 -4. 726 1. 00 41. 08 atom 1992 NZ LYS 254 31. 308 24. 585 -5. 610 1. 00 43. 09 atom 1993 C LYS 254 35. 079 21. 448 -2. 117 1. 00 26. 57 atoms 1994 O LYS 254 34. 535 20. 441 -2. 600 1. 00 26. 31 atom 1995 N SER 255 36. 338 21. 794 -2. 353 1. 00 23. 15 atoms 1996 CA SER 255 37. 185 21. 018 -3. 236 1. 00 25. 37 atoms 1997 CB SER 255 38. 569 21. 643 -3. 327 1. 00 22. 33 atom 1998 OG SER 255 39. 368 20. 833 -4. 169 1. 00 32. 54 atoms 1999 C SER 255 37. 334 19. 539 -2. 858 1. 00 24. 84 atoms 2000 O SER 255 37. 027 18. 666 -3. 672 1. 00 27. 25 atoms 2001 N LEU 256 37. 802 19. 243 -1. 645 1. 00 17. 04 Atomic 2002 CA LEU 256 37. 973 17. 840 -1. 269 1. 00 15. 83 atoms 2003 CB LEU 256 38. 584 17. 739 0. 127 1. 00 18. 84 atoms 2004 CG LEU 256 40. 082 18. 046 0. 258 1. 00 16. 70 atoms 2005 CD1 LEU 256 40. 300 18. 977 1. 445 1. 00 16. 41 atom 2006 CD2 LEU 256 40. 855 16. 770 0. 457 1. 00 10. 37 atoms 2007 C LEU 256 36. 635 17. 090 -1. 328 1. 00 13. 95 atoms 2008 O LEU 256 36. 570 15. 906 -1. 656 1. 00 14. 47 atoms 2009 N THR 257 35. 552 17. 788 -1. 023 1. 00 12. 60 atoms 2010 CA THR 257 34. 250 17. 151 -1. 069 1. 00 11. 14 atoms 2011 CB THR 257 33. 190 18. 104 -0. 623 1. 00 8. 15 atom 2012 OG1 THR 257 33. 436 18. 441 0. 737 1. 00 16. 01 Atom 2013 CG2 THR 257 31. 814 17. 490 -0. 794 1. 00 2. 00 atom 2014 C THR 257 33. 892 16. 639 -2. 466 1. 00 12. 38 atom 2015 O THR 257 33. 528 15. 480 -2. 603 1. 00 13. 28 atoms 2016 N GLU 258 33. 992 17. 501 -3. 488 1. 00 15. 08 Atomic 2017 CA GLU 258 33. 660 17. 129 -4. 881 1. 00 16. 55 atoms 2018 CB GLU 258 33. 467 18. 368 -5. 777 1. 00 18. 49 atoms 2019 CG GLU 258 32. 347 19. 334 -5. 396 1. 00 12. 86 atoms 2020 CD GLU 258 30. 980 18. 902 -5. 897 1. 00 19. 96 atoms 2021 OE1 GLU 258 29. 970 19. 540 -5. 533 1. 00 28. 35 atoms 2022 OE2 GLU 258 30. 892 17. 926 -6. 658 1. 00 18. 70 atoms 2023 C GLU 258 34. 733 16. 270 -5. 535 1. 00 16. 06 atom 2024 O GLU 258 34. 445 15. 518 -6. 463 1. 00 24. 28 atoms 2025 N ARG 259 35. 961 16. 355 -5. 044 1. 00 13. 40 atoms 2026 CA ARG 259 37. 055 15. 608 -5. 652 1. 00 15. 24 atoms 2027 CB ARG 259 38. 331 16. 434 -5. 616 1. 00 15. 45 atoms 2028 CG ARG 259 38. 341 17. 685 -6. 499 1. 00 18. 00 atom 2029 CD ARG 259 39. 610 17. 646 -7. 330 1. 00 14. 70 atoms 2030 NE ARG 259 40. 440 18. 823 -7. 238 1. 00 19. 54 atoms 2031 CZ ARG 259 41. 722 18. 841 -7. 588 1. 00 23. 21 atom 2032 NH1 ARG 259 42. 296 17. 739 -8. 052 1. 00 18. 68 atoms 2033 NH2 ARG 259 42. 424 19. 965 -7. 500 1. 00 26. 81 atoms 2034 C ARG 259 37. 375 14. 253 -5. 062 1. 00 15. 76 atoms 2035 O ARG 259 37. 733 13. 317 -5. 774 1. 00 16. 41 atoms 2036 N LEU 260 37. 279 14. 148 -3. 749 1. 00 18. 48 atoms 2037 CA LEU 260 37. 620 12. 905 -3. 104 1. 00 14. 79 atoms 2038 CB LEU 260 38. 926 13. 123 -2. 358 1. 00 14. 19 atoms 2039 CG LEU 260 39. 383 12. 280 -1. 181 1. 00 13. 57 atoms 2040 CD1 LEU 260 40. 401 11. 272 -1. 632 1. 00 9. 18 atoms 2041 CD2 LEU 260 39. 978 13. 222 -0. 155 1. 00 10. 22 atoms 2042 C LEU 260 36. 532 12. 315 -2. 210 1. 00 13. 96 atoms 2043 O LEU 260 36. 221 11. 140 -2. 337 1. 00 9. 01 atom 2044 N TYR 261 35. 933 13. 120 -1. 340 1. 00 12. 89 atoms 2045 CA TYR 261 34. 901 12. 597 -0. 436 1. 00 15. 89 atoms 2046 CB TYR 261 34. 425 13. 698 0. 526 1. 00 13. 43 atoms 2047 CG TYR 261 35. 528 14. 180 1. 445 1. 00 11. 40 atoms 2048 CD1 TYR 261 36. 600 13. 367 1. 761 1. 00 7. 86 atoms 2049 CE1 TYR 261 37. 627 13. 832 2. 555 1. 00 13. 56 atoms 2050 CD2 TYR 261 35. 517 15. 467 1. 947 1. 00 13. 43 atoms 2051 CE2 TYR 261 36. 531 15. 934 2. 727 1. 00 13. 28 atoms 2052 CZ TYR 261 37. 583 15. 121 3. 032 1. 00 14. 20 atoms 2053 OH TYR 261 38. 567 15. 619 3. 845 1. 00 18. 77 atoms 2054 C TYR 261 33. 702 11. 987 -1. 139 1. 00 14. 37 atoms 2055 O TYR 261 33. 258 10. 903 -0. 791 1. 00 13. 68 atoms 2056 N ILE 262 33. 189 12. 698 -2. 134 1. 00 17. 32 atoms 2057 CA ILE 262 32. 035 12. 262 -2. 906 1. 00 18. 38 atoms 2058 CB ILE 262 31. 620 13. 392 -3. 850 1. 00 24. 13 atoms 2059 CG2 ILE 262 31. 733 12. 967 -5. 299 1. 00 23. 73 atoms 2060 CG1 ILE 262 30. 228 13. 869 -3. 464 1. 00 24. 22 atoms 2061 CD1 ILE 262 30. 270 15. 040 -2. 530 1. 00 22. 83 atoms 2062 C ILE 262 32. 279 10. 981 -3. 698 1. 00 17. 72 atoms 2063 O ILE 262 31. 361 10. 208 -3. 945 1. 00 23. 83 atoms 2064 N GLY 263 33. 522 10. 750 -4. 089 1. 00 14. 02 atom 2065 CA GLY 263 33. 822 9. 567 -4. 860 1. 00 13. 07 atom 2066 C GLY 263 35. 048 9. 801 -5. 722 1. 00 15. 51 atoms 2067 O GLY 263 35. 675 10. 874 -5. 649 1. 00 12. 52 atoms 2068 N GLY 264 35. 380 8. 808 -6. 548 1. 00 11. 84 atoms 2069 CA GLY 264 36. 543 8. 912 -7. 408 1. 00 10. 59 atoms 2070 C GLY 264 37. 030 7. 554 -7. 880 1. 00 15. 77 atoms 2071 O GLY 264 36. 468 6. 526 -7. 501 1. 00 18. 26 atoms 2072 N PRO 265 38. 062 7. 522 -8. 739 1. 00 16. 69 atoms 2073 CD PRO 265 38. 743 8. 716 -9. 275 1. 00 21. 57 atoms 2074 CA PRO 265 38. 642 6. 295 -9. 283 1. 00 15. 40 atoms 2075 CB PRO 265 39. 563 6. 796 -10. 403 1. 00 15. 76 atoms 2076 CG PRO 265 39. 950 8. 134 -10. 015 1. 00 15. 43 atoms 2077 C PRO 265 39. 414 5. 482 -8. 253 1. 00 15. 52 atoms 2078 O PRO 265 40. 034 6. 044 -7. 363 1. 00 11. 46 atoms 2079 N LEU 266 39. 404 4. 161 -8. 425 1. 00 19. 24 atoms 2080 CA LEU 266 40. 088 3. 242 -7. 522 1. 00 19. 03 atom 2081 CB LEU 266 39. 097 2. 180 -7. 029 1. 00 19. 47 atoms 2082 CG LEU 266 37. 951 2. 784 -6. 208 1. 00 23. 78 atoms 2083 CD1 LEU 266 36. 662 2. 020 -6. 470 1. 00 16. 22 atoms 2084 CD2 LEU 266 38. 329 2. 771 -4. 716 1. 00 22. 20 atoms 2085 C LEU 266 41. 324 2. 555 -8. 118 1. 00 18. 52 atoms 2086 O LEU 266 41. 220 1. 656 -8. 939 1. 00 11. 92 atoms 2087 N THR 267 42. 502 2. 964 -7. 662 1. 00 23. 15 atoms 2088 CA THR 267 43. 746 2. 385 -8. 146 1. 00 26. 03 atom 2089 CB THR 267 44. 731 3. 515 -8. 442 1. 00 26. 23 atoms 2090 OG1 THR 267 44. 023 4. 584 -9. 085 1. 00 22. 47 atoms 2091 CG2 THR 267 45. 871 3. 025 -9. 330 1. 00 22. 46 atoms 2092 C THR 267 44. 341 1. 402 -7. 111 1. 00 28. 57 atoms 2093 O THR 267 44. 317 1. 685 -5. 907 1. 00 34. 94 atoms 2094 N ASN 268 44. 854 0. 257 -7. 574 1. 00 24. 49 atoms 2095 CA ASN 268 45. 447 -0. 741 -6. 682 1. 00 25. 47 atoms 2096 CB ASN 268 45. 309 -2. 144 -7. 298 1. 00 26. 74 atoms 2097 CG ASN 268 46. 118 -2. 317 -8. 567 1. 00 26. 59 atoms 2098 OD1 ASN 268 47. 108 -1. 631 -8. 789 1. 00 31. 14 atoms 2099 ND2 ASN 268 45. 697 -3. 244 -9. 403 1. 00 23. 96 atoms 2100 C ASN 268 46. 916 -0. 448 -6. 321 1. 00 24. 45 atoms 2101 O ASN 268 47. 415 0. 641 -6. 576 1. 00 25. 01 atom 2102 N SER 269 47. 609 -1. 402 -5. 709 1. 00 25. 69 atoms 2103 CA SER 269 49. 019 -1. 182 -5. 344 1. 00 26. 70 atoms 2104 CB SER 269 49. 531 -2. 304 -4. 423 1. 00 23. 84 atoms 2105 OG SER 269 49. 137 -3. 591 -4. 876 1. 00 24. 85 atoms 2106 C SER 269 49. 941 -1. 080 -6. 570 1. 00 27. 41 atoms 2107 O SER 269 50. 966 -0. 383 -6. 544 1. 00 24. 61 atoms 2108 N LYS 270 49. 560 -1. 759 -7. 646 1. 00 27. 65 atoms 2109 CA LYS 270 50. 350 -1. 756 -8. 877 1. 00 34. 24 atoms 2110 CB LYS 270 50. 439 -3. 172 -9. 427 1. 00 38. 14 atoms 2111 CG LYS 270 49. 904 -4. 202 -8. 453 1. 00 41. 52 atoms 2112 CD LYS 270 50. 995 -5. 139 -7. 996 1. 00 39. 96 atoms 2113 CE LYS 270 50. 755 -6. 511 -8. 584 1. 00 41. 32 atoms 2114 NZ LYS 270 49. 453 -6. 575 -9. 308 1. 00 43. 81 atoms 2115 C LYS 270 49. 826 -0. 827 -9. 965 1. 00 32. 73 atoms 2116 O LYS 270 49. 728 -1. 225 -11. 122 1. 00 32. 11 atoms 2117 N GLY 271 49. 483 0. 400 -9. 569 1. 00 32. 07 atom 2118 CA GLY 271 48. 991 1. 414 -10. 486 1. 00 27. 34 atoms 2119 C GLY 271 47. 811 1. 148 -11. 414 1. 00 26. 74 atoms 2120 O GLY 271 47. 401 2. 070 -12. 131 1. 00 29. 62 atoms 2121 N GLN 272 47. 266 -0. 065 -11. 434 1. 00 16. 78 atoms 2122 CA GLN 272 46. 130 -0. 367 -12. 298 1. 00 22. 50 atoms 2123 CB GLN 272 46. 006 -1. 879 -12. 461 1. 00 25. 20 atoms 2124 CG GLN 272 45. 118 -2. 350 -13. 607 1. 00 28. 05 atom 2125 CD GLN 272 45. 018 -3. 871 -13. 633 1. 00 32. 35 atoms 2126 OE1 GLN 272 44. 301 -4. 474 -14. 450 1. 00 33. 79 atoms 2127 NE2 GLN 272 45. 741 -4. 500 -12. 724 1. 00 31. 21 atoms 2128 C GLN 272 44. 817 0. 220 -11. 742 1. 00 27. 23 atoms 2129 O GLN 272 44. 737 0. 578 -10. 560 1. 00 29. 76 atoms 2130 N ASN 273 43. 786 0. 316 -12. 586 1. 00 26. 20 atoms 2131 CA ASN 273 42. 499 0. 884 -12. 162 1. 00 23. 35 atoms 2132 CB ASN 273 42. 012 1. 888 -13. 211 1. 00 30. 32 atoms 2133 CG ASN 273 40. 898 2. 782 -12. 692 1. 00 38. 52 atoms 2134 OD1 ASN 273 39. 724 2. 603 -13. 043 1. 00 38. 61 atoms 2135 ND2 ASN 273 41. 258 3. 748 -11. 842 1. 00 35. 47 atoms 2136 C ASN 273 41. 450 -0. 196 -11. 913 1. 00 23. 09 atom 2137 O ASN 273 41. 161 -1. 012 -12. 788 1. 00 25. 78 atoms 2138 N CYS 274 40. 859 -0. 186 -10. 724 1. 00 23. 19 atoms 2139 CA CYS 274 39. 897 -1. 224 -10. 330 1. 00 25. 74 atoms 2140 CB CYS 274 40. 167 -1. 645 -8. 878 1. 00 24. 20 atoms 2141 SG CYS 274 41. 736 -2. 465 -8. 623 1. 00 32. 90 atoms 2142 C CYS 274 38. 408 -0. 941 -10. 453 1. 00 26. 08 atom 2143 O CYS 274 37. 586 -1. 876 -10. 466 1. 00 28. 31 atoms 2144 N GLY 275 38. 050 0. 335 -10. 517 1. 00 23. 19 atoms 2145 CA GLY 275 36. 646 0. 672 -10. 599 1. 00 16. 16 atoms 2146 C GLY 275 36. 427 2. 072 -10. 091 1. 00 17. 69 atoms 2147 O GLY 275 37. 376 2. 835 -9. 931 1. 00 19. 74 atoms 2148 N TYR 276 35. 173 2. 416 -9. 835 1. 00 19. 21 atoms 2149 CA TYR 276 34. 836 3. 739 -9. 355 1. 00 16. 79 atoms 2150 CB TYR 276 34. 070 4. 493 -10. 431 1. 00 17. 22 atoms 2151 CG TYR 276 34. 243 5. 978 -10. 351 1. 00 19. 00 atom 2152 CD1 TYR 276 35. 434 6. 571 -10. 743 1. 00 22. 14 atoms 2153 CE1 TYR 276 35. 615 7. 941 -10. 648 1. 00 19. 36 atoms 2154 CD2 TYR 276 33. 226 6. 798 -9. 852 1. 00 14. 77 atoms 2155 CE2 TYR 276 33. 397 8. 170 -9. 754 1. 00 10. 07 atom 2156 CZ TYR 276 34. 597 8. 732 -10. 155 1. 00 16. 49 atoms 2157 OH TYR 276 34. 787 10. 097 -10. 115 1. 00 22. 80 atoms 2158 C TYR 276 34. 011 3. 693 -8. 076 1. 00 22. 07 atom 2159 O TYR 276 33. 140 2. 816 -7. 904 1. 00 16. 49 atoms 2160 N ARG 277 34. 286 4. 661 -7. 193 1. 00 22. 20 atoms 2161 CA ARG 277 33. 605 4. 779 -5. 896 1. 00 19. 05 atom 2162 CB ARG 277 34. 646 4. 965 -4. 796 1. 00 16. 38 atoms 2163 CG ARG 277 34. 065 5. 125 -3. 422 1. 00 13. 13 atoms 2164 CD ARG 277 35. 184 5. 349 -2. 433 1. 00 12. 73 atoms 2165 NE ARG 277 35. 316 6. 761 -2. 171 1. 00 10. 46 atoms 2166 CZ ARG 277 36. 252 7. 522 -2. 699 1. 00 13. 10 atoms 2167 NH1 ARG 277 37. 155 6. 999 -3. 524 1. 00 19. 62 atoms 2168 NH2 ARG 277 36. 262 8. 811 -2. 428 1. 00 11. 60 atoms 2169 C ARG 277 32. 587 5. 927 -5. 812 1. 00 16. 53 atoms 2170 O ARG 277 32. 871 7. 046 -6. 231 1. 00 13. 19 atoms 2171 N ARG 278 31. 412 5. 643 -5. 259 1. 00 11. 39 atoms 2172 CA ARG 278 30. 382 6. 666 -5. 109 1. 00 17. 01 atom 2173 CB ARG 278 29. 261 6. 436 -6. 126 1. 00 15. 88 atoms 2174 CG ARG 278 29. 617 6. 850 -7. 545 1. 00 25. 88 atoms 2175 CD ARG 278 28. 637 6. 259 -8. 557 1. 00 31. 56 atoms 2176 NE ARG 278 28. 891 6. 737 -9. 914 1. 00 38. 90 atoms 2177 CZ ARG 278 29. 297 5. 959 -10. 918 1. 00 46. 20 atoms 2178 NH1 ARG 278 29. 498 4. 657 -10. 721 1. 00 40. 83 atoms 2179 NH2 ARG 278 29. 501 6. 485 -12. 124 1. 00 44. 92 atoms 2180 C ARG 278 29. 802 6. 709 -3. 678 1. 00 18. 33 atoms 2181 O ARG 278 28. 791 7. 363 -3. 413 1. 00 14. 86 atoms 2182 N CYS 279 30. 443 5. 988 -2. 763 1. 00 18. 74 atoms 2183 CA CYS 279 30. 013 5. 951 -1. 372 1. 00 20. 34 atoms 2184 CB CYS 279 29. 734 4. 521 -0. 910 1. 00 13. 54 atoms 2185 SG CYS 279 31. 032 3. 386 -1. 400 1. 00 11. 81 atoms 2186 C CYS 279 31. 158 6. 530 -0. 580 1. 00 19. 14 atoms 2187 O CYS 279 31. 995 7. 229 -1. 131 1. 00 18. 85 atoms 2188 N ARG 280 31. 204 6. 230 0. 708 1. 00 20. 55 atoms 2189 CA ARG 280 32. 266 6. 765 1. 551 1. 00 19. 72 atoms 2190 CB ARG 280 31. 760 6. 890 2. 994 1. 00 17. 16 atoms 2191 CG ARG 280 32. 765 6. 504 4. 033 1. 00 18. 71 atoms 2192 CD ARG 280 32. 721 7. 441 5. 217 1. 00 21. 86 atoms 2193 NE ARG 280 32. 610 8. 844 4. 846 1. 00 12. 51 atoms 2194 CZ ARG 280 31. 542 9. 602 5. 089 1. 00 16. 04 atom 2195 NH1 ARG 280 30. 483 9. 096 5. 697 1. 00 10. 02 atom 2196 NH2 ARG 280 31. 543 10. 884 4. 738 1. 00 16. 85 atoms 2197 C ARG 280 33. 534 5. 924 1. 507 1. 00 17. 65 atoms 2198 O ARG 280 33. 477 4. 698 1. 508 1. 00 16. 85 atoms 2199 N ALA 281 34. 673 6. 602 1. 461 1. 00 19. 88 atoms 2200 CA ALA 281 35. 978 5. 943 1. 465 1. 00 20. 82 atoms 2201 CB ALA 281 37. 025 6. 809 0. 748 1. 00 17. 70 atoms 2202 C ALA 281 36. 359 5. 788 2. 933 1. 00 20. 37 atoms 2203 O ALA 281 36. 121 6. 686 3. 730 1. 00 17. 90 atoms 2204 N SER 282 36. 964 4. 658 3. 275 1. 00 23. 63 atoms 2205 CA SER 282 37. 369 4. 377 4. 643 1. 00 24. 68 atoms 2206 CB SER 282 37. 569 2. 883 4. 808 1. 00 28. 10 atoms 2207 OG SER 282 38. 795 2. 513 4. 200 1. 00 34. 10 atoms 2208 C SER 282 38. 640 5. 071 5. 121 1. 00 22. 98 atoms 2209 O SER 282 38. 854 5. 217 6. 322 1. 00 24. 18 atoms 2210 N GLY 283 39. 491 5. 492 4. 200 1. 00 22. 59 atoms 2211 CA GLY 283 40. 740 6. 108 4. 625 1. 00 15. 51 atoms 2212 C GLY 283 40. 877 7. 601 4. 545 1. 00 14. 39 atoms 2213 O GLY 283 41. 999 8. 113 4. 428 1. 00 19. 94 atoms 2214 N VAL 284 39. 763 8. 316 4. 625 1. 00 12. 87 atoms 2215 CA VAL 284 39. 817 9. 774 4. 547 1. 00 16. 46 atoms 2216 CB VAL 284 38. 707 10. 334 3. 625 1. 00 18. 23 atoms 2217 CG1 VAL 284 39. 306 10. 638 2. 256 1. 00 15. 09 atom 2218 CG2 VAL 284 37. 548 9. 344 3. 526 1. 00 15. 13 atoms 2219 C VAL 284 39. 698 10. 370 5. 935 1. 00 16. 16 atoms 2220 O VAL 284 39. 365 9. 654 6. 873 1. 00 21. 25 atoms 2221 N LEU 285 39. 976 11. 662 6. 085 1. 00 14. 54 atoms 2222 CA LEU 285 39. 925 12. 283 7. 419 1. 00 18. 17 atoms 2223 CB LEU 285 40. 591 13. 671 7. 397 1. 00 11. 77 atoms 2224 CG LEU 285 40. 737 14. 212 8. 834 1. 00 14. 87 atoms 2225 CD1 LEU 285 41. 712 13. 349 9. 575 1. 00 11. 35 atoms 2226 CD2 LEU 285 41. 217 15. 638 8. 873 1. 00 11. 98 atoms 2227 C LEU 285 38. 514 12. 438 8. 003 1. 00 18. 78 atoms 2228 O LEU 285 38. 289 12. 278 9. 209 1. 00 19. 14 atoms 2229 N THR 286 37. 579 12. 769 7. 122 1. 00 16. 92 atoms 2230 CA THR 286 36. 196 13. 021 7. 463 1. 00 8. 41 atoms 2231 CB THR 286 35. 523 13. 887 6. 360 1. 00 11. 85 atoms 2232 OG1 THR 286 35. 864 13. 329 5. 089 1. 00 11. 25 atoms 2233 CG2 THR 286 35. 980 15. 366 6. 408 1. 00 3. 47 atoms 2234 C THR 286 35. 373 11. 752 7. 600 1. 00 8. 58 atoms 2235 O THR 286 34. 179 11. 830 7. 885 1. 00 6. 30 atoms 2236 N THR 287 35. 974 10. 578 7. 437 1. 00 9. 98 atoms 2237 CA THR 287 35. 132 9. 384 7. 502 1. 00 14. 51 atoms 2238 CB THR 287 35. 869 8. 126 6. 964 1. 00 11. 97 atoms 2239 OG1 THR 287 35. 300 6. 948 7. 537 1. 00 16. 98 atoms 2240 CG2 THR 287 37. 317 8. 174 7. 251 1. 00 16. 02 atom 2241 C THR 287 34. 472 9. 109 8. 858 1. 00 14. 94 atoms 2242 O THR 287 33. 288 8. 733 8. 922 1. 00 17. 04 atom 2243 N SER 288 35. 214 9. 323 9. 937 1. 00 15. 88 atoms 2244 CA SER 288 34. 672 9. 123 11. 291 1. 00 15. 93 atoms 2245 CB SER 288 35. 797 9. 242 12. 319 1. 00 14. 91 atoms 2246 OG SER 288 35. 262 9. 346 13. 595 1. 00 17. 41 atoms 2247 C SER 288 33. 593 10. 172 11. 602 1. 00 13. 04 atom 2248 O SER 288 32. 439 9. 844 11. 871 1. 00 12. 73 atoms 2249 N CYS 289 33. 983 11. 438 11. 559 1. 00 7. 29 atoms 2250 CA CYS 289 33. 046 12. 511 11. 836 1. 00 10. 66 atoms 2251 CB CYS 289 33. 793 13. 851 11. 834 1. 00 5. 96 atoms 2252 SG CYS 289 32. 783 15. 279 11. 493 1. 00 22. 59 atoms 2253 C CYS 289 31. 863 12. 527 10. 846 1. 00 12. 55 atoms 2254 O CYS 289 30. 734 12. 875 11. 212 1. 00 14. 62 atoms 2255 N GLY 290 32. 127 12. 168 9. 591 1. 00 14. 52 atoms 2256 CA GLY 290 31. 074 12. 120 8. 590 1. 00 9. 51 atoms 2257 C GLY 290 30. 057 11. 040 8. 936 1. 00 14. 36 atoms 2258 O GLY 290 28. 852 11. 313 9. 001 1. 00 13. 85 atoms 2259 N ASN 291 30. 524 9. 813 9. 168 1. 00 10. 21 atom 2260 CA ASN 291 29. 611 8. 721 9. 508 1. 00 13. 14 atoms 2261 CB ASN 291 30. 372 7. 399 9. 663 1. 00 12. 39 atoms 2262 CG ASN 291 30. 742 6. 787 8. 343 1. 00 16. 70 atoms 2263 OD1 ASN 291 30. 444 7. 334 7. 291 1. 00 19. 76 atoms 2264 ND2 ASN 291 31. 398 5. 645 8. 388 1. 00 14. 60 atoms 2265 C ASN 291 28. 840 9. 007 10. 803 1. 00 13. 64 atoms 2266 O ASN 291 27. 672 8. 669 10. 912 1. 00 16. 48 atoms 2267 N THR 292 29. 498 9. 615 11. 787 1. 00 13. 64 atoms 2268 CA THR 292 28. 829 9. 926 13. 033 1. 00 11. 88 atoms 2269 CB THR 292 29. 814 10. 420 14. 092 1. 00 11. 39 atoms 2270 OG1 THR 292 30. 878 9. 460 14. 247 1. 00 9. 50 atoms 2271 CG2 THR 292 29. 099 10. 572 15. 406 1. 00 2. 48 atoms 2272 C THR 292 27. 731 10. 956 12. 834 1. 00 12. 72 atoms 2273 O THR 292 26. 619 10. 785 13. 354 1. 00 9. 10 atoms 2274 N LEU 293 28. 030 11. 997 12. 060 1. 00 7. 16 atoms 2275 CA LEU 293 27. 045 13. 036 11. 767 1. 00 10. 97 atoms 2276 CB LEU 293 27. 704 14. 195 11. 018 1. 00 8. 15 atoms 2277 CG LEU 293 28. 403 15. 187 11. 956 1. 00 18. 61 atoms 2278 CD1 LEU 293 29. 564 15. 857 11. 252 1. 00 14. 67 atoms 2279 CD2 LEU 293 27. 400 16. 228 12. 448 1. 00 18. 24 atoms 2280 C LEU 293 25. 879 12. 498 10. 927 1. 00 11. 98 atoms 2281 O LEU 293 24. 693 12. 837 11. 143 1. 00 10. 31 atoms 2282 N THR 294 26. 218 11. 644 9. 973 1. 00 9. 34 atoms 2283 CA THR 294 25. 218 11. 088 9. 078 1. 00 13. 14 atoms 2284 CB THR 294 25. 932 10. 501 7. 830 1. 00 17. 76 atoms 2285 OG1 THR 294 26. 584 11. 576 7. 136 1. 00 9. 54 atoms 2286 CG2 THR 294 24. 952 9. 770 6. 888 1. 00 13. 10 atoms 2287 C THR 294 24. 325 10. 051 9. 775 1. 00 13. 78 atoms 2288 O THR 294 23. 103 10. 068 9. 612 1. 00 12. 50 atoms 2289 N CYS 295 24. 927 9. 183 10. 586 1. 00 12. 96 atoms 2290 CA CYS 295 24. 158 8. 164 11. 297 1. 00 15. 53 atoms 2291 CB CYS 295 25. 083 7. 216 12. 054 1. 00 14. 80 atoms 2292 SG CYS 295 24. 228 5. 909 12. 939 1. 00 21. 83 atoms 2293 C CYS 295 23. 237 8. 852 12. 279 1. 00 15. 64 atoms 2294 O CYS 295 22. 123 8. 424 12. 506 1. 00 19. 96 atoms 2295 N TYR 296 23. 714 9. 945 12. 846 1. 00 16. 53 atoms 2296 CA TYR 296 22. 944 10. 688 13. 808 1. 00 13. 09 atom 2297 CB TYR 296 23. 831 11. 751 14. 460 1. 00 19. 53 atoms 2298 CG TYR 296 23. 101 12. 750 15. 335 1. 00 23. 83 atoms 2299 CD1 TYR 296 22. 977 12. 549 16. 705 1. 00 20. 52 atoms 2300 CE1 TYR 296 22. 251 13. 432 17. 495 1. 00 23. 16 atoms 2301 CD2 TYR 296 22. 485 13. 865 14. 774 1. 00 22. 40 atoms 2302 CE2 TYR 296 21. 763 14. 742 15. 543 1. 00 25. 16 atoms 2303 CZ TYR 296 21. 639 14. 525 16. 901 1. 00 26. 73 atoms 2304 OH TYR 296 20. 878 15. 398 17. 644 1. 00 29. 21 atoms 2305 C TYR 296 21. 727 11. 326 13. 175 1. 00 13. 13 atoms 2306 O TYR 296 20. 627 11. 241 13. 705 1. 00 19. 26 atoms 2307 N LEU 297 21. 930 11. 965 12. 037 1. 00 15. 33 atoms 2308 CA LEU 297 20. 861 12. 651 11. 329 1. 00 8. 06 atom 2309 CB LEU 297 21. 478 13. 414 10. 167 1. 00 4. 00 atom 2310 CG LEU 297 20. 657 13. 832 8. 973 1. 00 5. 36 atoms 2311 CD1 LEU 297 19. 567 14. 751 9. 449 1. 00 2. 30 atoms 2312 CD2 LEU 297 21. 600 14. 508 7. 935 1. 00 2. 00 atom 2313 C LEU 297 19. 795 11. 679 10. 854 1. 00 10. 56 atoms 2314 O LEU 297 18. 602 11. 927 10. 989 1. 00 8. 08 atom 2315 N LYS 298 20. 224 10. 554 10. 306 1. 00 9. 28 atoms 2316 CA LYS 298 19. 259 9. 584 9. 843 1. 00 14. 54 atoms 2317 CB LYS 298 19. 959 8. 524 8. 975 1. 00 14. 39 atoms 2318 CG LYS 298 20. 284 9. 041 7. 564 1. 00 14. 80 atoms 2319 CD LYS 298 21. 047 8. 018 6. 741 1. 00 9. 15 atoms 2320 CE LYS 298 21. 993 8. 691 5. 772 1. 00 6. 39 atoms 2321 NZ LYS 298 22. 398 7. 721 4. 710 1. 00 12. 57 atoms 2322 C LYS 298 18. 526 8. 926 11. 022 1. 00 17. 93 atoms 2323 O LYS 298 17. 302 8. 706 10. 976 1. 00 14. 55 atoms 2324 N ALA 299 19. 275 8. 622 12. 081 1. 00 13. 25 atoms 2325 CA ALA 299 18. 682 7. 971 13. 224 1. 00 15. 80 atoms 2326 CB ALA 299 19. 760 7. 440 14. 140 1. 00 11. 84 atoms 2327 C ALA 299 17. 746 8. 923 13. 968 1. 00 18. 33 atoms 2328 O ALA 299 16. 701 8. 507 14. 476 1. 00 17. 79 atoms 2329 N SER 300 18. 098 10. 203 14. 005 1. 00 18. 37 atoms 2330 CA SER 300 17. 250 11. 173 14. 693 1. 00 19. 72 atoms 2331 CB SER 300 17. 917 12. 537 14. 736 1. 00 15. 36 atoms 2332 OG SER 300 18. 855 12. 587 15. 777 1. 00 20. 47 atoms 2333 C SER 300 15. 917 11. 296 13. 973 1. 00 17. 03 atom 2334 O SER 300 14. 853 11. 152 14. 579 1. 00 15. 98 atoms 2335 N ALA 301 15. 997 11. 565 12. 673 1. 00 16. 11 atoms 2336 CA ALA 301 14. 818 11. 703 11. 831 1. 00 12. 11 atoms 2337 CB ALA 301 15. 234 12. 062 10. 399 1. 00 14. 67 atoms 2338 C ALA 301 14. 048 10. 394 11. 859 1. 00 5. 18 atoms 2339 O ALA 301 12. 829 10. 375 11. 892 1. 00 7. 90 atoms 2340 N ALA 302 14. 762 9. 285 11. 869 1. 00 8. 95 atoms 2341 CA ALA 302 14. 083 7. 997 11. 923 1. 00 10. 58 atoms 2342 CB ALA 302 15. 068 6. 887 11. 656 1. 00 2. 00 atom 2343 C ALA 302 13. 351 7. 764 13. 276 1. 00 14. 11 atoms 2344 O ALA 302 12. 315 7. 102 13. 310 1. 00 9. 62 atoms 2345 N CYS 303 13. 885 8. 308 14. 373 1. 00 18. 06 atom 2346 CA CYS 303 13. 263 8. 163 15. 705 1. 00 23. 37 atoms 2347 CB CYS 303 14. 190 8. 725 16. 803 1. 00 21. 74 atoms 2348 SG CYS 303 15. 531 7. 631 17. 351 1. 00 27. 25 atoms 2349 C CYS 303 11. 917 8. 925 15. 742 1. 00 26. 18 atoms 2350 O CYS 303 10. 903 8. 446 16. 285 1. 00 23. 74 atoms 2351 N ARG 304 11. 929 10. 122 15. 161 1. 00 22. 67 atoms 2352 CA ARG 304 10. 747 10. 940 15. 097 1. 00 22. 19 atoms 2353 CB ARG 304 11. 099 12. 306 14. 503 1. 00 25. 32 atoms 2354 CG ARG 304 12. 197 13. 063 15. 254 1. 00 16. 91 atoms 2355 CD ARG 304 12. 192 14. 548 14. 889 1. 00 15. 19 atoms 2356 NE ARG 304 13. 299 15. 295 15. 499 1. 00 19. 62 atoms 2357 CZ ARG 304 13. 467 16. 616 15. 392 1. 00 22. 51 atoms 2358 NH1 ARG 304 12. 595 17. 339 14. 690 1. 00 23. 10 atoms 2359 NH2 ARG 304 14. 483 17. 228 16. 012 1. 00 11. 90 atoms 2360 C ARG 304 9. 677 10. 226 14. 256 1. 00 26. 83 atoms 2361 O ARG 304 8. 476 10. 394 14. 489 1. 00 25. 97 atoms 2362 N ALA 305 10. 106 9. 419 13. 290 1. 00 30. 84 atoms 2363 CA ALA 305 9. 158 8. 683 12. 449 1. 00 34. 55 atoms 2364 CB ALA 305 9. 898 7. 809 11. 444 1. 00 35. 65 atoms 2365 C ALA 305 8. 225 7. 821 13. 299 1. 00 37. 13 atoms 2366 O ALA 305 7. 190 7. 358 12. 815 1. 00 37. 73 atoms 2367 N ALA 306 8. 592 7. 610 14. 562 1. 00 38. 22 atoms 2368 CA ALA 306 7. 762 6. 824 15. 474 1. 00 36. 67 atoms 2369 CB ALA 306 8. 310 5. 422 15. 583 1. 00 35. 11 atoms 2370 C ALA 306 7. 692 7. 468 16. 860 1. 00 38. 80 atoms 2371 O ALA 306 6. 844 8. 320 17. 132 1. 00 38. 28 atoms 2372 N LYS 307 8. 608 7. 040 17. 720 1. 00 41. 45 atoms 2373 CA LYS 307 8. 740 7. 491 19. 096 1. 00 42. 81 atoms 2374 CB LYS 307 10. 214 7. 458 19. 503 1. 00 40. 40 atoms 2375 CG LYS 307 10. 729 6. 087 19. 916 1. 00 37. 86 atoms 2376 CD LYS 307 10. 575 5. 048 18. 831 1. 00 37. 54 atoms 2377 CE LYS 307 11. 918 4. 432 18. 481 1. 00 37. 85 atoms 2378 NZ LYS 307 12. 924 5. 507 18. 258 1. 00 35. 80 atoms 2379 C LYS 307 8. 167 8. 865 19. 449 1. 00 49. 60 atoms 2380 O LYS 307 8. 788 9. 907 19. 188 1. 00 46. 97 atoms 2381 N LEU 308 6. 982 8. 842 20. 066 1. 00 51. 53 atoms 2382 CA LEU 308 6. 279 10. 039 20. 524 1. 00 51. 53 atoms 2383 CB LEU 308 4. 758 9. 842 20. 389 1. 00 52. 02 atom 2384 CG LEU 308 4. 157 8. 437 20. 605 1. 00 51. 76 atoms 2385 CD1 LEU 308 3. 708 8. 288 22. 068 1. 00 47. 91 atoms 2386 CD2 LEU 308 2. 983 8. 206 19. 643 1. 00 43. 18 atoms 2387 C LEU 308 6. 663 10. 183 21. 998 1. 00 54. 77 atoms 2388 O LEU 308 5. 997 10. 874 22. 786 1. 00 57. 44 atoms 2389 N GLN 309 7. 766 9. 517 22. 338 1. 00 56. 72 atoms 2390 CA GLN 309 8. 312 9. 459 23. 693 1. 00 53. 19 atoms 2391 CB GLN 309 8. 499 8. 002 24. 077 1. 00 52. 08 atom 2392 CG GLN 309 9. 172 7. 229 22. 970 1. 00 47. 86 atoms 2393 CD GLN 309 8. 527 5. 897 22. 742 1. 00 48. 89 atoms 2394 OE1 GLN 309 8. 830 5. 208 21. 775 1. 00 51. 59 atoms 2395 NE2 GLN 309 7. 627 5. 513 23. 642 1. 00 55. 53 atoms 2396 C GLN 309 9. 645 10. 190 23. 888 1. 00 52. 39 atoms 2397 O GLN 309 9. 840 11. 303 23. 383 1. 00 53. 77 atoms 2398 N ASP 310 10. 573 9. 545 24. 599 1. 00 46. 73 atoms 2399 CA ASP 310 11. 850 10. 182 24. 914 1. 00 46. 17 atoms 2400 CB ASP 310 11. 877 10. 525 26. 404 1. 00 50. 62 atoms 2401 CG ASP 310 10. 471 10. 620 27. 000 1. 00 54. 61 atoms 2402 OD1 ASP 310 9. 975 9. 590 27. 507 1. 00 57. 26 atoms 2403 OD2 ASP 310 9. 857 11. 716 26. 954 1. 00 52. 46 atoms 2404 C ASP 310 13. 081 9. 382 24. 538 1. 00 43. 56 atoms 2405 O ASP 310 13. 580 8. 537 25. 297 1. 00 34. 86 atoms 2406 N CYS 311 13. 571 9. 683 23. 342 1. 00 41. 82 atoms 2407 CA CYS 311 14. 726 9. 016 22. 783 1. 00 36. 02 atom 2408 CB CYS 311 14. 703 9. 126 21. 269 1. 00 35. 10 atoms 2409 SG CYS 311 13. 643 7. 931 20. 531 1. 00 41. 50 atoms 2410 C CYS 311 16. 001 9. 612 23. 292 1. 00 32. 40 atoms 2411 O CYS 311 16. 050 10. 780 23. 655 1. 00 32. 96 atoms 2412 N THR 312 17. 032 8. 783 23. 335 1. 00 29. 68 atoms 2413 CA THR 312 18. 348 9. 221 23. 757 1. 00 24. 81 atoms 2414 CB THR 312 18. 551 9. 120 25. 297 1. 00 23. 09 atom 2415 OG1 THR 312 17. 974 10. 268 25. 917 1. 00 20. 96 atoms 2416 CG2 THR 312 20. 039 9. 103 25. 647 1. 00 7. 30 atoms 2417 C THR 312 19. 286 8. 291 23. 048 1. 00 19. 93 atoms 2418 O THR 312 19. 215 7. 071 23. 208 1. 00 21. 00 atom 2419 N MET 313 20. 146 8. 863 22. 225 1. 00 21. 26 atoms 2420 CA MET 313 21. 087 8. 039 21. 502 1. 00 19. 10 atoms 2421 CB MET 313 20. 845 8. 108 20. 003 1. 00 27. 05 atom 2422 CG MET 313 20. 425 9. 437 19. 460 1. 00 32. 49 atoms 2423 SD MET 313 19. 755 9. 147 17. 816 1. 00 41. 09 atom 2424 CE MET 313 18. 946 7. 570 18. 055 1. 00 41. 67 atoms 2425 C MET 313 22. 522 8. 371 21. 775 1. 00 15. 03 atom 2426 O MET 313 22. 862 9. 456 22. 237 1. 00 9. 15 atoms 2427 N LEU 314 23. 360 7. 394 21. 477 1. 00 14. 59 atoms 2428 CA LEU 314 24. 786 7. 512 21. 649 1. 00 13. 18 atoms 2429 CB LEU 314 25. 237 6. 561 22. 753 1. 00 16. 64 atoms 2430 CG LEU 314 26. 661 6. 691 23. 270 1. 00 12. 33 atoms 2431 CD1 LEU 314 26. 848 8. 047 23. 960 1. 00 17. 77 atoms 2432 CD2 LEU 314 26. 894 5. 591 24. 223 1. 00 12. 90 atoms 2433 C LEU 314 25. 239 7. 028 20. 299 1. 00 14. 13 atoms 2434 O LEU 314 24. 850 5. 949 19. 880 1. 00 14. 97 atoms 2435 N VAL 315 26. 035 7. 834 19. 611 1. 00 14. 46 atoms 2436 CA VAL 315 26. 490 7. 507 18. 260 1. 00 8. 47 atoms 2437 CB VAL 315 25. 917 8. 539 17. 235 1. 00 9. 94 atoms 2438 CG1 VAL 315 26. 126 8. 042 15. 792 1. 00 6. 93 atoms 2439 CG2 VAL 315 24. 448 8. 787 17. 529 1. 00 7. 37 atoms 2440 C VAL 315 28. 000 7. 504 18. 113 1. 00 8. 16 atoms 2441 O VAL 315 28. 666 8. 471 18. 449 1. 00 11. 71 atoms 2442 N ASN 316 28. 534 6. 416 17. 597 1. 00 13. 18 atoms 2443 CA ASN 316 29. 976 6. 296 17. 363 1. 00 16. 47 atoms 2444 CB ASN 316 30. 589 5. 250 18. 304 1. 00 20. 03 atom 2445 CG ASN 316 30. 712 5. 740 19. 732 1. 00 18. 37 atoms 2446 OD1 ASN 316 31. 819 5. 855 20. 260 1. 00 24. 84 atoms 2447 ND2 ASN 316 29. 581 6. 024 20. 364 1. 00 11. 13 atoms 2448 C ASN 316 30. 130 5. 846 15. 898 1. 00 15. 78 atoms 2449 O ASN 316 30. 014 4. 652 15. 596 1. 00 12. 76 atoms 2450 N GLY 317 30. 383 6. 805 15. 002 1. 00 15. 43 atoms 2451 CA GLY 317 30. 492 6. 486 13. 587 1. 00 16. 69 atoms 2452 C GLY 317 29. 186 5. 824 13. 155 1. 00 19. 29 atoms 2453 O GLY 317 28. 119 6. 441 13. 232 1. 00 13. 28 atoms 2454 N ASP 318 29. 262 4. 558 12. 736 1. 00 20. 60 atoms 2455 CA ASP 318 28. 080 3. 798 12. 313 1. 00 22. 17 atoms 2456 CB ASP 318 28. 486 2. 767 11. 281 1. 00 23. 30 atoms 2457 CG ASP 318 29. 724 2. 027 11. 684 1. 00 25. 41 atom 2458 OD1 ASP 318 30. 744 2. 692 11. 980 1. 00 27. 38 atoms 2459 OD2 ASP 318 29. 676 0. 788 11. 710 1. 00 25. 90 atoms 2460 C ASP 318 27. 403 3. 067 13. 479 1. 00 24. 22 atoms 2461 O ASP 318 26. 245 2. 626 13. 380 1. 00 20. 11 atoms 2462 N ASP 319 28. 135 2. 899 14. 574 1. 00 25. 94 atoms 2463 CA ASP 319 27. 559 2. 217 15. 730 1. 00 26. 01 atom 2464 CB ASP 319 28. 654 1. 768 16. 680 1. 00 26. 27 atoms 2465 CG ASP 319 28. 826 0. 275 16. 677 1. 00 29. 65 atoms 2466 OD1 ASP 319 29. 973 -0. 184 16. 521 1. 00 35. 30 atoms 2467 OD2 ASP 319 27. 813 -0. 439 16. 828 1. 00 30. 47 atoms 2468 C ASP 319 26. 552 3. 110 16. 452 1. 00 20. 07 atom 2469 O ASP 319 26. 826 4. 269 16. 766 1. 00 15. 33 atoms 2470 N LEU 320 25. 376 2. 567 16. 697 1. 00 16. 66 atoms 2471 CA LEU 320 24. 341 3. 341 17. 350 1. 00 17. 93 atoms 2472 CB LEU 320 23. 428 3. 994 16. 294 1. 00 14. 80 atoms 2473 CG LEU 320 22. 126 4. 657 16. 786 1. 00 12. 07 atom 2474 CD1 LEU 320 22. 214 6. 175 16. 732 1. 00 12. 14 atoms 2475 CD2 LEU 320 20. 993 4. 180 15. 980 1. 00 14. 40 atoms 2476 C LEU 320 23. 484 2. 538 18. 314 1. 00 18. 43 atoms 2477 O LEU 320 23. 097 1. 410 18. 042 1. 00 23. 21 atoms 2478 N VAL 321 23. 211 3. 135 19. 460 1. 00 18. 50 atoms 2479 CA VAL 321 22. 327 2. 539 20. 441 1. 00 21. 88 atoms 2480 CB VAL 321 23. 097 1. 966 21. 662 1. 00 20. 42 atoms 2481 CG1 VAL 321 24. 196 2. 895 22. 062 1. 00 17. 51 atom 2482 CG2 VAL 321 22. 136 1. 735 22. 817 1. 00 22. 27 atoms 2483 C VAL 321 21. 413 3. 683 20. 878 1. 00 20. 73 atoms 2484 O VAL 321 21. 826 4. 844 20. 897 1. 00 21. 92 atoms 2485 N VAL 322 20. 162 3. 371 21. 181 1. 00 22. 82 atoms 2486 CA VAL 322 19. 230 4. 400 21. 623 1. 00 20. 84 atoms 2487 CB VAL 322 18. 343 4. 957 20. 448 1. 00 18. 24 atoms 2488 CG1 VAL 322 18. 628 4. 215 19. 149 1. 00 22. 10 atoms 2489 CG2 VAL 322 16. 880 4. 885 20. 810 1. 00 6. 40 atoms 2490 C VAL 322 18. 353 3. 819 22. 714 1. 00 23. 90 atoms 2491 O VAL 322 17. 873 2. 685 22. 608 1. 00 22. 28 atoms 2492 N ILE 323 18. 176 4. 585 23. 786 1. 00 24. 77 atoms 2493 CA ILE 323 17. 349 4. 134 24. 893 1. 00 25. 24 atoms 2494 CB ILE 323 18. 158 4. 137 26. 190 1. 00 22. 50 atoms 2495 CG2 ILE 323 17. 259 3. 829 27. 384 1. 00 23. 14 atoms 2496 CG1 ILE 323 19. 261 3. 095 26. 066 1. 00 16. 23 atoms 2497 CD1 ILE 323 20. 397 3. 297 27. 008 1. 00 15. 90 atoms 2498 C ILE 323 16. 131 5. 042 24. 994 1. 00 25. 29 atoms 2499 O ILE 323 16. 254 6. 266 25. 033 1. 00 25. 71 atoms 2500 N CYS 324 14. 955 4. 434 25. 021 1. 00 23. 65 atoms 2501 CA CYS 324 13. 719 5. 201 25. 074 1. 00 28. 54 atoms 2502 CB CYS 324 13. 120 5. 298 23. 668 1. 00 22. 91 atoms 2503 SG CYS 324 12. 651 3. 689 23. 036 1. 00 24. 99 atoms 2504 C CYS 324 12. 698 4. 560 26. 004 1. 00 32. 49 atoms 2505 O CYS 324 12. 954 3. 502 26. 611 1. 00 36. 12 atoms 2506 N GLU 325 11. 541 5. 212 26. 117 1. 00 34. 49 atoms 2507 CA GLU 325 10. 454 4. 697 26. 942 1. 00 34. 97 atoms 2508 CB GLU 325 9. 367 5. 759 27. 101 1. 00 33. 51 atoms 2509 CG GLU 325 9. 577 6. 705 28. 273 1. 00 39. 83 atoms 2510 CD GLU 325 10. 005 6. 005 29. 565 1. 00 40. 86 atoms 2511 OE1 GLU 325 9. 637 4. 828 29. 786 1. 00 41. 53 atoms 2512 OE2 GLU 325 10. 716 6. 644 30. 367 1. 00 41. 72 atoms 2513 C GLU 325 9. 863 3. 470 26. 243 1. 00 33. 00 atom 2514 O GLU 325 10. 045 3. 291 25. 038 1. 00 33. 16 atoms 2515 N SER 326 9. 177 2. 608 26. 981 1. 00 29. 74 atoms 2516 CA SER 326 8. 566 1. 462 26. 332 1. 00 27. 88 atoms 2517 CB SER 326 8. 895 0. 154 27. 045 1. 00 29. 60 atoms 2518 OG SER 326 8. 592 -0. 968 26. 221 1. 00 27. 55 atoms 2519 C SER 326 7. 082 1. 687 26. 359 1. 00 29. 75 atoms 2520 O SER 326 6. 580 2. 500 27. 130 1. 00 26. 24 atoms 2521 N ALA 327 6. 382 0. 983 25. 483 1. 00 33. 65 atoms 2522 CA ALA 327 4. 937 1. 093 25. 404 1. 00 32. 64 atoms 2523 CB ALA 327 4. 533 1. 949 24. 224 1. 00 35. 74 atoms 2524 C ALA 327 4. 455 -0. 314 25. 212 1. 00 35. 26 atoms 2525 O ALA 327 3. 405 -0. 541 24. 613 1. 00 36. 42 atoms 2526 N GLY 328 5. 250 -1. 259 25. 715 1. 00 35. 74 atoms 2527 CA GLY 328 4. 906 -2. 658 25. 604 1. 00 35. 12 atoms 2528 C GLY 328 5. 739 -3. 370 24. 563 1. 00 37. 03 atom 2529 O GLY 328 6. 267 -2. 751 23. 648 1. 00 39. 73 atoms 2530 N THR 329 5. 828 -4. 686 24. 705 1. 00 35. 68 atoms 2531 CA THR 329 6. 592 -5. 553 23. 816 1. 00 35. 67 atoms 2532 CB THR 329 6. 517 -6. 994 24. 334 1. 00 31. 01 atom 2533 OG1 THR 329 6. 992 -7. 020 25. 679 1. 00 30. 45 atoms 2534 CG2 THR 329 7. 348 -7. 935 23. 486 1. 00 35. 07 atom 2535 C THR 329 6. 188 -5. 555 22. 338 1. 00 41. 30 atoms 2536 O THR 329 6. 985 -5. 217 21. 459 1. 00 42. 33 atoms 2537 N GLN 330 4. 954 -5. 964 22. 068 1. 00 45. 00 atom 2538 CA GLN 330 4. 464 -6. 047 20. 705 1. 00 45. 98 atoms 2539 CB GLN 330 3. 072 -6. 675 20. 703 1. 00 50. 57 atoms 2540 CG GLN 330 2. 859 -7. 708 19. 613 1. 00 53. 88 atoms 2541 CD GLN 330 1. 764 -8. 697 19. 954 1. 00 55. 97 atoms 2542 OE1 GLN 330 2. 015 -9. 713 20. 598 1. 00 58. 15 atoms 2543 NE2 GLN 330 0. 541 -8. 404 19. 524 1. 00 58. 64 atoms 2544 C GLN 330 4. 417 -4. 690 20. 017 1. 00 46. 57 atoms 2545 O GLN 330 4. 625 -4. 588 18. 809 1. 00 45. 26 atoms 2546 N GLU 331 4. 138 -3. 648 20. 785 1. 00 42. 44 atoms 2547 CA GLU 331 4. 054 -2. 318 20. 216 1. 00 42. 19 atoms 2548 CB GLU 331 3. 307 -1. 414 21. 193 1. 00 45. 19 atoms 2549 CG GLU 331 2. 738 -2. 173 22. 420 1. 00 53. 99 atoms 2550 CD GLU 331 1. 499 -3. 035 22. 106 1. 00 61. 39 atoms 2551 OE1 GLU 331 1. 620 -4. 022 21. 340 1. 00 62. 11 atom 2552 OE2 GLU 331 0. 401 -2. 733 22. 631 1. 00 60. 82 atoms 2553 C GLU 331 5. 468 -1. 807 19. 926 1. 00 42. 42 atoms 2554 O GLU 331 5. 746 -1. 304 18. 838 1. 00 41. 63 atoms 2555 N ASP 332 6. 361 -1. 970 20. 899 1. 00 40. 40 atoms 2556 CA ASP 332 7. 759 -1. 554 20. 779 1. 00 39. 72 atoms 2557 CB ASP 332 8. 522 -1. 903 22. 066 1. 00 43. 46 atoms 2558 CG ASP 332 8. 576 -0. 750 23. 070 1. 00 44. 40 atoms 2559 OD1 ASP 332 9. 624 -0. 613 23. 737 1. 00 50. 21 atoms 2560 OD2 ASP 332 7. 587 0. 005 23. 214 1. 00 42. 70 atoms 2561 C ASP 332 8. 455 -2. 238 19. 587 1. 00 38. 03 atom 2562 O ASP 332 9. 360 -1. 669 18. 973 1. 00 35. 13 atoms 2563 N ALA 333 8. 036 -3. 463 19. 274 1. 00 35. 59 atoms 2564 CA ALA 333 8. 606 -4. 223 18. 157 1. 00 34. 66 atoms 2565 CB ALA 333 8. 080 -5. 660 18. 188 1. 00 28. 59 atoms 2566 C ALA 333 8. 250 -3. 559 16. 818 1. 00 35. 39 atoms 2567 O ALA 333 9. 096 -3. 397 15. 918 1. 00 32. 47 atoms 2568 N ALA 334 6. 980 -3. 194 16. 701 1. 00 32. 90 atoms 2569 CA ALA 334 6. 475 -2. 528 15. 522 1. 00 35. 01 atom 2570 CB ALA 334 4. 958 -2. 387 15. 614 1. 00 30. 49 atoms 2571 C ALA 334 7. 132 -1. 151 15. 441 1. 00 36. 42 atoms 2572 O ALA 334 7. 257 -0. 580 14. 360 1. 00 38. 09 atom 2573 N SER 335 7. 554 -0. 622 16. 588 1. 00 35. 49 atoms 2574 CA SER 335 8. 197 0. 685 16. 624 1. 00 33. 47 atoms 2575 CB SER 335 8. 376 1. 156 18. 066 1. 00 35. 80 atoms 2576 OG SER 335 7. 166 1. 715 18. 558 1. 00 44. 77 atoms 2577 C SER 335 9. 549 0. 611 15. 937 1. 00 33. 00 atom 2578 O SER 335 9. 923 1. 509 15. 186 1. 00 31. 79 atoms 2579 N LEU 336 10. 278 -0. 468 16. 193 1. 00 30. 58 atoms 2580 CA LEU 336 11. 580 -0. 643 15. 580 1. 00 32. 25 atoms 2581 CB LEU 336 12. 355 -1. 740 16. 300 1. 00 33. 78 atoms 2582 CG LEU 336 13. 103 -1. 268 17. 549 1. 00 32. 01 atom 2583 CD1 LEU 336 12. 219 -0. 378 18. 402 1. 00 19. 15 atoms 2584 CD2 LEU 336 13. 556 -2. 491 18. 319 1. 00 32. 33 atoms 2585 C LEU 336 11. 397 -0. 989 14. 111 1. 00 33. 05 atom 2586 O LEU 336 12. 301 -0. 798 13. 298 1. 00 32. 54 atoms 2587 N ARG 337 10. 212 -1. 500 13. 785 1. 00 34. 57 atoms 2588 CA ARG 337 9. 861 -1. 840 12. 415 1. 00 33. 94 atoms 2589 CB ARG 337 8. 481 -2. 502 12. 376 1. 00 40. 01 atom 2590 CG ARG 337 8. 468 -3. 887 11. 748 1. 00 50. 31 atoms 2591 CD ARG 337 7. 152 -4. 156 11. 006 1. 00 60. 06 atom 2592 NE ARG 337 7. 349 -4. 414 9. 573 1. 00 64. 64 atoms 2593 CZ ARG 337 6. 370 -4. 443 8. 666 1. 00 66. 06 atom 2594 NH1 ARG 337 5. 108 -4. 228 9. 027 1. 00 65. 93 atoms 2595 NH2 ARG 337 6. 653 -4. 693 7. 392 1. 00 63. 83 atoms 2596 C ARG 337 9. 833 -0. 524 11. 628 1. 00 31. 50 atoms 2597 O ARG 337 10. 527 -0. 367 10. 614 1. 00 30. 22 atoms 2598 N VAL 338 9. 034 0. 426 12. 104 1. 00 25. 96 atoms 2599 CA VAL 338 8. 942 1. 725 11. 446 1. 00 23. 74 atoms 2600 CB VAL 338 8. 008 2. 682 12. 212 1. 00 20. 53 atoms 2601 CG1 VAL 338 7. 954 4. 005 11. 504 1. 00 16. 58 atoms 2602 CG2 VAL 338 6. 586 2. 080 12. 323 1. 00 23. 01 atom 2603 C VAL 338 10. 321 2. 375 11. 393 1. 00 25. 39 atoms 2604 O VAL 338 10. 760 2. 853 10. 348 1. 00 25. 50 atoms 2605 N PHE 339 11. 008 2. 372 12. 534 1. 00 24. 65 atoms 2606 CA PHE 339 12. 323 2. 985 12. 643 1. 00 19. 60 atoms 2607 CB PHE 339 12. 934 2. 698 14. 018 1. 00 15. 60 atoms 2608 CG PHE 339 14. 325 3. 191 14. 164 1. 00 3. 47 atoms 2609 CD1 PHE 339 14. 569 4. 487 14. 582 1. 00 9. 45 atoms 2610 CD2 PHE 339 15. 390 2. 374 13. 849 1. 00 4. 97 atoms 2611 CE1 PHE 339 15. 859 4. 965 14. 685 1. 00 5. 74 atoms 2612 CE2 PHE 339 16. 685 2. 830 13. 941 1. 00 3. 08 atom 2613 CZ PHE 339 16. 927 4. 126 14. 360 1. 00 5. 97 atoms 2614 C PHE 339 13. 232 2. 480 11. 534 1. 00 18. 70 atoms 2615 O PHE 339 13. 866 3. 267 10. 845 1. 00 12. 55 atoms 2616 N THR 340 13. 282 1. 164 11. 381 1. 00 20. 16 atoms 2617 CA THR 340 14. 077 0. 510 10. 341 1. 00 23. 32 atoms 2618 CB THR 340 13. 934 -1. 028 10. 463 1. 00 23. 80 atoms 2619 OG1 THR 340 14. 663 -1. 472 11. 616 1. 00 26. 76 atoms 2620 CG2 THR 340 14. 441 -1. 740 9. 182 1. 00 14. 19 atoms 2621 C THR 340 13. 618 0. 947 8. 925 1. 00 21. 79 atoms 2622 O THR 340 14. 432 1. 172 8. 031 1. 00 21. 76 atoms 2623 N GLU 341 12. 308 1. 053 8. 731 1. 00 18. 62 atoms 2624 CA GLU 341 11. 766 1. 482 7. 446 1. 00 20. 97 atoms 2625 CB GLU 341 10. 242 1. 518 7. 477 1. 00 18. 92 atoms 2626 CG GLU 341 9. 568 0. 369 6. 799 1. 00 27. 50 atoms 2627 CD GLU 341 8. 219 0. 080 7. 416 1. 00 32. 36 atoms 2628 OE1 GLU 341 8. 195 -0. 569 8. 481 1. 00 33. 70 atoms 2629 OE2 GLU 341 7. 187 0. 507 6. 846 1. 00 36. 79 atoms 2630 C GLU 341 12. 259 2. 878 7. 081 1. 00 18. 52 atoms 2631 O GLU 341 12. 616 3. 117 5. 943 1. 00 16. 55 atoms 2632 N ALA 342 12. 248 3. 801 8. 042 1. 00 15. 66 atoms 2633 CA ALA 342 12. 703 5. 147 7. 760 1. 00 11. 85 atoms 2634 CB ALA 342 12. 420 6. 075 8. 949 1. 00 5. 98 atoms 2635 C ALA 342 14. 192 5. 089 7. 451 1. 00 13. 06 atom 2636 O ALA 342 14. 630 5. 655 6. 466 1. 00 17. 39 atoms 2637 N MET 343 14. 958 4. 378 8. 279 1. 00 14. 83 atoms 2638 CA MET 343 16. 401 4. 240 8. 096 1. 00 15. 43 atoms 2639 CB MET 343 17. 005 3. 288 9. 152 1. 00 17. 16 atoms 2640 CG MET 343 17. 219 3. 903 10. 544 1. 00 14. 16 atoms 2641 SD MET 343 18. 366 5. 309 10. 607 1. 00 15. 78 atoms 2642 CE MET 343 19. 905 4. 462 10. 694 1. 00 8. 77 atoms 2643 C MET 343 16. 729 3. 717 6. 686 1. 00 20. 04 atom 2644 O MET 343 17. 685 4. 188 6. 066 1. 00 22. 60 atoms 2645 N THR 344 15. 952 2. 748 6. 196 1. 00 15. 69 atoms 2646 CA THR 344 16. 158 2. 191 4. 859 1. 00 17. 93 atoms 2647 CB THR 344 15. 265 0. 945 4. 622 1. 00 19. 23 atoms 2648 OG1 THR 344 15. 461 0. 013 5. 680 1. 00 16. 90 atoms 2649 CG2 THR 344 15. 626 0. 265 3. 313 1. 00 23. 01 atom 2650 C THR 344 15. 841 3. 233 3. 767 1. 00 16. 50 atoms 2651 O THR 344 16. 473 3. 258 2. 708 1. 00 14. 88 atoms 2652 N ARG 345 14. 857 4. 086 4. 028 1. 00 12. 81 atoms 2653 CA ARG 345 14. 483 5. 130 3. 075 1. 00 12. 96 atoms 2654 CB ARG 345 13. 256 5. 890 3. 558 1. 00 12. 13 atoms 2655 CG ARG 345 12. 127 5. 933 2. 572 1. 00 24. 12 atoms 2656 CD ARG 345 10. 831 5. 426 3. 174 1. 00 19. 46 atoms 2657 NE ARG 345 10. 495 6. 121 4. 416 1. 00 22. 42 atoms 2658 CZ ARG 345 9. 921 5. 523 5. 455 1. 00 23. 15 atoms 2659 NH1 ARG 345 9. 615 4. 230 5. 387 1. 00 22. 49 atoms 2660 NH2 ARG 345 9. 642 6. 211 6. 553 1. 00 22. 68 atoms 2661 C ARG 345 15. 628 6. 110 2. 972 1. 00 11. 64 atoms 2662 O ARG 345 15. 861 6. 699 1. 939 1. 00 15. 57 atoms 2663 N TYR 346 16. 344 6. 285 4. 073 1. 00 16. 09 atom 2664 CA TYR 346 17. 452 7. 219 4. 117 1. 00 10. 12 atoms 2665 CB TYR 346 17. 673 7. 718 5. 537 1. 00 10. 24 atoms 2666 CG TYR 346 16. 491 8. 434 6. 161 1. 00 8. 55 atoms 2667 CD1 TYR 346 16. 356 8. 477 7. 546 1. 00 2. 00 atom 2668 CE1 TYR 346 15. 341 9. 215 8. 159 1. 00 7. 85 atoms 2669 CD2 TYR 346 15. 566 9. 149 5. 378 1. 00 3. 32 atoms 2670 CE2 TYR 346 14. 532 9. 900 5. 980 1. 00 4. 00 atom 2671 CZ TYR 346 14. 434 9. 921 7. 377 1. 00 11. 88 atoms 2672 OH TYR 346 13. 415 10. 589 8. 011 1. 00 16. 58 atoms 2673 C TYR 346 18. 688 6. 530 3. 649 1. 00 10. 73 atoms 2674 O TYR 346 19. 759 7. 131 3. 648 1. 00 14. 56 atoms 2675 N SER 347 18. 544 5. 262 3. 263 1. 00 8. 88 atoms 2676 CA SER 347 19. 682 4. 485 2. 779 1. 00 11. 02 atom 2677 CB SER 347 20. 436 5. 257 1. 719 1. 00 7. 10 atoms 2678 OG SER 347 21. 677 4. 649 1. 524 1. 00 15. 91 atoms 2679 C SER 347 20. 655 4. 127 3. 891 1. 00 17. 57 atoms 2680 O SER 347 21. 824 4. 535 3. 894 1. 00 16. 67 atoms 2681 N ALA 348 20. 139 3. 374 4. 850 1. 00 21. 53 atoms 2682 CA ALA 348 20. 901 2. 902 5. 984 1. 00 16. 82 atoms 2683 CB ALA 348 20. 931 3. 942 7. 063 1. 00 19. 61 atoms 2684 C ALA 348 20. 129 1. 676 6. 436 1. 00 17. 95 atoms 2685 O ALA 348 19. 612 1. 636 7. 541 1. 00 19. 35 atoms 2686 N PRO 349 20. 019 0. 666 5. 558 1. 00 17. 48 atoms 2687 CD PRO 349 20. 619 0. 634 4. 218 1. 00 17. 13 atoms 2688 CA PRO 349 19. 309 -0. 585 5. 845 1. 00 22. 29 atoms 2689 CB PRO 349 19. 249 -1. 270 4. 485 1. 00 18. 68 atoms 2690 CG PRO 349 20. 508 -0. 822 3. 840 1. 00 18. 33 atoms 2691 C PRO 349 20. 107 -1. 390 6. 883 1. 00 22. 65 atoms 2692 O PRO 349 21. 327 -1. 266 6. 976 1. 00 22. 99 atoms 2693 N PRO 350 19. 433 -2. 257 7. 640 1. 00 25. 69 atoms 2694 CD PRO 350 17. 999 -2. 613 7. 620 1. 00 28. 35 atoms 2695 CA PRO 350 20. 147 -3. 026 8. 656 1. 00 29. 11 atoms 2696 CB PRO 350 19. 093 -3. 186 9. 747 1. 00 23. 51 atoms 2697 CG PRO 350 17. 818 -3. 395 8. 940 1. 00 21. 77 atoms 2698 C PRO 350 20. 721 -4. 376 8. 241 1. 00 33. 76 atoms 2699 O PRO 350 20. 133 -5. 090 7. 431 1. 00 35. 09 atom 2700 N GLY 351 21. 874 -4. 718 8. 815 1. 00 38. 72 atoms 2701 CA GLY 351 22. 476 -6. 010 8. 549 1. 00 42. 12 atoms 2702 C GLY 351 21. 610 -7. 000 9. 315 1. 00 45. 61 atoms 2703 O GLY 351 21. 067 -7. 954 8. 743 1. 00 47. 44 atoms 2704 N ASP 352 21. 483 -6. 752 10. 621 1. 00 44. 23 atoms 2705 CA ASP 352 20. 660 -7. 564 11. 519 1. 00 41. 08 atom 2706 CB ASP 352 21. 451 -7. 984 12. 764 1. 00 43. 20 atoms 2707 CG ASP 352 22. 665 -8. 844 12. 434 1. 00 47. 05 atom 2708 OD1 ASP 352 22. 475 -10. 011 12. 015 1. 00 49. 57 atoms 2709 OD2 ASP 352 23. 809 -8. 358 12. 599 1. 00 43. 57 atoms 2710 C ASP 352 19. 544 -6. 618 11. 929 1. 00 35. 01 atom 2711 O ASP 352 19. 787 -5. 445 12. 194 1. 00 36. 47 atoms 2712 N PRO 353 18. 304 -7. 100 11. 969 1. 00 31. 96 atoms 2713 CD PRO 353 17. 786 -8. 437 11. 653 1. 00 33. 23 atoms 2714 CA PRO 353 17. 238 -6. 177 12. 363 1. 00 32. 72 atoms 2715 CB PRO 353 15. 961 -7. 010 12. 218 1. 00 30. 87 atoms 2716 CG PRO 353 16. 352 -8. 150 11. 317 1. 00 33. 49 atoms 2717 C PRO 353 17. 426 -5. 659 13. 778 1. 00 29. 30 atoms 2718 O PRO 353 18. 168 -6. 231 14. 563 1. 00 31. 98 atoms 2719 N PRO 354 16. 808 -4. 526 14. 103 1. 00 26. 36 atoms 2720 CD PRO 354 15. 998 -3. 614 13. 280 1. 00 25. 22 atoms 2721 CA PRO 354 16. 977 -4. 037 15. 472 1. 00 25. 21 atoms 2722 CB PRO 354 16. 557 -2. 581 15. 380 1. 00 23. 85 atoms 2723 CG PRO 354 15. 528 -2. 571 14. 271 1. 00 23. 54 atoms 2724 C PRO 354 16. 042 -4. 838 16. 383 1. 00 27. 24 atoms 2725 O PRO 354 14. 889 -5. 090 16. 034 1. 00 22. 85 atoms 2726 N GLN 355 16. 532 -5. 260 17. 540 1. 00 29. 74 atoms 2727 CA GLN 355 15. 672 -6. 012 18. 452 1. 00 32. 54 atoms 2728 CB GLN 355 16. 264 -7. 391 18. 752 1. 00 33. 31 atom 2729 CG GLN 355 15. 215 -8. 408 19. 199 1. 00 42. 98 atoms 2730 CD GLN 355 15. 701 -9. 856 19. 102 1. 00 47. 82 atoms 2731 OE1 GLN 355 14. 915 -10. 774 18. 818 1. 00 47. 88 atoms 2732 NE2 GLN 355 17. 000 -10. 066 19. 337 1. 00 47. 91 atoms 2733 C GLN 355 15. 504 -5. 227 19. 744 1. 00 29. 39 atoms 2734 O GLN 355 16. 490 -4. 764 20. 316 1. 00 28. 43 atoms 2735 N PRO 356 14. 255 -5. 056 20. 217 1. 00 28. 59 atoms 2736 CD PRO 356 12. 960 -5. 521 19. 690 1. 00 28. 05 atom 2737 CA PRO 356 14. 118 -4. 298 21. 463 1. 00 29. 05 atom 2738 CB PRO 356 12. 621 -4. 007 21. 568 1. 00 23. 89 atoms 2739 CG PRO 356 11. 954 -4. 958 20. 661 1. 00 27. 97 atoms 2740 C PRO 356 14. 659 -5. 097 22. 649 1. 00 33. 81 atoms 2741 O PRO 356 14. 409 -6. 307 22. 776 1. 00 33. 07 atom 2742 N GLU 357 15. 426 -4. 404 23. 487 1. 00 32. 99 atoms 2743 CA GLU 357 16. 037 -4. 979 24. 667 1. 00 34. 32 atoms 2744 CB GLU 357 17. 539 -4. 694 24. 656 1. 00 34. 64 atoms 2745 CG GLU 357 18. 438 -5. 917 24. 654 1. 00 41. 61 atoms 2746 CD GLU 357 17. 794 -7. 141 24. 028 1. 00 46. 37 atoms 2747 OE1 GLU 357 16. 749 -7. 006 23. 347 1. 00 49. 58 atoms 2748 OE2 GLU 357 18. 342 -8. 247 24. 215 1. 00 47. 15 atoms 2749 C GLU 357 15. 413 -4. 379 25. 916 1. 00 36. 99 atoms 2750 O GLU 357 14. 964 -3. 227 25. 908 1. 00 40. 64 atoms 2751 N TYR 358 15. 401 -5. 161 26. 990 1. 00 37. 60 atoms 2752 CA TYR 358 14. 841 -4. 724 28. 257 1. 00 35. 53 atoms 2753 CB TYR 358 13. 519 -5. 463 28. 480 1. 00 32. 72 atoms 2754 CG TYR 358 12. 515 -5. 183 27. 373 1. 00 31. 24 atoms 2755 CD1 TYR 358 12. 387 -6. 055 26. 278 1. 00 29. 89 atoms 2756 CE1 TYR 358 11. 507 -5. 776 25. 234 1. 00 30. 39 atoms 2757 CD2 TYR 358 11. 724 -4. 023 27. 393 1. 00 21. 47 atoms 2758 CE2 TYR 358 10. 844 -3. 736 26. 364 1. 00 21. 96 atoms 2759 CZ TYR 358 10. 740 -4. 616 25. 279 1. 00 27. 72 atoms 2760 OH TYR 358 9. 900 -4. 319 24. 229 1. 00 21. 73 atoms 2761 C TYR 358 15. 862 -5. 014 29. 369 1. 00 37. 22 atoms 2762 O TYR 358 15. 656 -4. 689 30. 541 1. 00 35. 67 atoms 2763 N ASP 359 16. 974 -5. 620 28. 962 1. 00 36. 82 atoms 2764 CA ASP 359 18. 074 -5. 977 29. 851 1. 00 39. 59 atoms 2765 CB ASP 359 18. 331 -7. 487 29. 776 1. 00 45. 28 atoms 2766 CG ASP 359 18. 558 -8. 120 31. 136 1. 00 48. 29 atoms 2767 OD1 ASP 359 18. 876 -7. 395 32. 103 1. 00 55. 92 atoms 2768 OD2 ASP 359 18. 426 -9. 355 31. 239 1. 00 49. 53 atoms 2769 C ASP 359 19. 324 -5. 228 29. 385 1. 00 38. 72 atoms 2770 O ASP 359 20. 122 -5. 763 28. 607 1. 00 39. 87 atoms 2771 N LEU 360 19. 476 -3. 994 29. 857 1. 00 36. 52 atoms 2772 CA LEU 360 20. 603 -3. 129 29. 505 1. 00 36. 77 atoms 2773 CB LEU 360 20. 901 -2. 161 30. 651 1. 00 34. 29 atoms 2774 CG LEU 360 22. 143 -1. 272 30. 465 1. 00 37. 55 atoms 2775 CD1 LEU 360 21. 973 -0. 372 29. 248 1. 00 29. 93 atoms 2776 CD2 LEU 360 22. 365 -0. 420 31. 727 1. 00 36. 42 atoms 2777 C LEU 360 21. 875 -3. 882 29. 146 1. 00 36. 90 atoms 2778 O LEU 360 22. 551 -3. 552 28. 177 1. 00 38. 17 atoms 2779 N GLU 361 22. 194 -4. 893 29. 942 1. 00 37. 83 atoms 2780 CA GLU 361 23. 377 -5. 717 29. 744 1. 00 35. 87 atoms 2781 CB GLU 361 23. 416 -6. 785 30. 849 1. 00 34. 29 atoms 2782 CG GLU 361 24. 650 -7. 694 30. 868 1. 00 32. 02 atom 2783 CD GLU 361 24. 779 -8. 475 32. 178 1. 00 36. 91 atoms 2784 OE1 GLU 361 24. 869 -9. 725 32. 113 1. 00 36. 54 atoms 2785 OE2 GLU 361 24. 789 -7. 842 33. 271 1. 00 34. 86 atoms 2786 C GLU 361 23. 415 -6. 384 28. 355 1. 00 37. 17 atoms 2787 O GLU 361 24. 481 -6. 547 27. 769 1. 00 37. 31 atoms 2788 N LEU 362 22. 254 -6. 756 27. 826 1. 00 39. 56 atoms 2789 CA LEU 362 22. 195 -7. 429 26. 529 1. 00 40. 91 atoms 2790 CB LEU 362 20. 932 -8. 298 26. 442 1. 00 42. 13 atoms 2791 CG LEU 362 21. 081 -9. 614 27. 229 1. 00 43. 71 atoms 2792 CD1 LEU 362 20. 850 -9. 356 28. 708 1. 00 43. 86 atoms 2793 CD2 LEU 362 20. 106 -10. 654 26. 729 1. 00 42. 44 atoms 2794 C LEU 362 22. 279 -6. 497 25. 329 1. 00 38. 74 atoms 2795 O LEU 362 22. 270 -6. 945 24. 189 1. 00 34. 53 atoms 2796 N ILE 363 22. 375 -5. 199 25. 588 1. 00 35. 68 atoms 2797 CA ILE 363 22. 493 -4. 246 24. 507 1. 00 33. 38 atoms 2798 CB ILE 363 21. 907 -2. 870 24. 889 1. 00 31. 46 atoms 2799 CG2 ILE 363 22. 167 -1. 849 23. 766 1. 00 25. 00 atom 2800 CG1 ILE 363 20. 406 -3. 015 25. 153 1. 00 33. 04 atom 2801 CD1 ILE 363 19. 783 -1. 853 25. 910 1. 00 32. 87 atoms 2802 C ILE 363 23. 966 -4. 082 24. 202 1. 00 33. 97 atoms 2803 O ILE 363 24. 668 -3. 379 24. 922 1. 00 35. 19 atoms 2804 N THR 364 24. 453 -4. 739 23. 156 1. 00 36. 06 Atomic 2805 CA THR 364 25. 860 -4. 580 22. 825 1. 00 38. 67 atoms 2806 CB THR 364 26. 496 -5. 893 22. 330 1. 00 38. 78 atoms 2807 OG1 THR 364 27. 191 -5. 659 21. 100 1. 00 39. 96 atoms 2808 CG2 THR 364 25. 436 -6. 964 22. 146 1. 00 42. 76 atoms 2809 C THR 364 25. 946 -3. 501 21. 760 1. 00 41. 16 atoms 2810 O THR 364 25. 108 -3. 444 20. 865 1. 00 42. 45 atoms 2811 N SER 365 26. 940 -2. 624 21. 889 1. 00 43. 05 atom 2812 CA SER 365 27. 134 -1. 515 20. 963 1. 00 43. 64 atoms 2813 CB SER 365 26. 338 -0. 298 21. 435 1. 00 43. 29 atoms 2814 OG SER 365 27. 194 0. 807 21. 650 1. 00 47. 26 atoms 2815 C SER 365 28. 616 -1. 176 20. 899 1. 00 44. 44 atoms 2816 O SER 365 29. 278 -1. 050 21. 939 1. 00 42. 95 atoms 2817 N CYS 366 29. 121 -1. 014 19. 676 1. 00 44. 33 atoms 2818 CA CYS 366 30. 535 -0. 734 19. 444 1. 00 41. 74 atoms 2819 CB CYS 366 31. 041 0. 377 20. 363 1. 00 42. 48 atoms 2820 SG CYS 366 30. 515 2. 037 19. 903 1. 00 37. 51 atoms 2821 C CYS 366 31. 250 -2. 036 19. 773 1. 00 42. 11 atoms 2822 O CYS 366 32. 321 -2. 052 20. 392 1. 00 38. 89 atoms 2823 N SER 367 30. 617 -3. 128 19. 361 1. 00 41. 96 atoms 2824 CA SER 367 31. 134 -4. 466 19. 589 1. 00 45. 83 atoms 2825 CB SER 367 32. 423 -4. 656 18. 791 1. 00 47. 19 atoms 2826 OG SER 367 32. 141 -5. 257 17. 537 1. 00 53. 00 atom 2827 C SER 367 31. 375 -4. 789 21. 071 1. 00 45. 17 atoms 2828 O SER 367 32. 167 -5. 686 21. 381 1. 00 41. 42 atoms 2829 N SER 368 30. 687 -4. 070 21. 967 1. 00 42. 35 atoms 2830 CA SER 368 30. 829 -4. 268 23. 418 1. 00 41. 58 atoms 2831 CB SER 368 31. 988 -3. 428 23. 952 1. 00 38. 01 atom 2832 OG SER 368 31. 614 -2. 077 24. 035 1. 00 35. 59 atoms 2833 C SER 368 29. 554 -3. 930 24. 193 1. 00 39. 93 atoms 2834 O SER 368 28. 644 -3. 323 23. 648 1. 00 45. 35 atoms 2835 N ASN 369 29. 489 -4. 315 25. 465 1. 00 37. 24 atoms 2836 CA ASN 369 28. 292 -4. 064 26. 275 1. 00 36. 60 atoms 2837 CB ASN 369 27. 423 -5. 307 26. 268 1. 00 31. 85 atoms 2838 CG ASN 369 28. 114 -6. 459 26. 917 1. 00 35. 41 atom 2839 OD1 ASN 369 29. 050 -7. 021 26. 344 1. 00 29. 53 atoms 2840 ND2 ASN 369 27. 692 -6. 807 28. 136 1. 00 31. 65 atoms 2841 C ASN 369 28. 537 -3. 650 27. 737 1. 00 30. 94 atoms 2842 O ASN 369 29. 665 -3. 589 28. 203 1. 00 34. 12 atoms 2843 N VAL 370 27. 453 -3. 381 28. 453 1. 00 30. 55 atoms 2844 CA VAL 370 27. 508 -2. 948 29. 850 1. 00 24. 47 atoms 2845 CB VAL 370 26. 425 -1. 882 30. 166 1. 00 27. 62 atoms 2846 CG1 VAL 370 26. 311 -1. 705 31. 672 1. 00 30. 91 atoms 2847 CG2 VAL 370 26. 758 -0. 549 29. 495 1. 00 24. 11 atoms 2848 C VAL 370 27. 248 -4. 109 30. 776 1. 00 23. 63 atoms 2849 O VAL 370 26. 241 -4. 799 30. 640 1. 00 22. 44 atoms 2850 N SER 371 28. 136 -4. 313 31. 739 1. 00 22. 16 atoms 2851 CA SER 371 27. 956 -5. 410 32. 676 1. 00 22. 77 atoms 2852 CB SER 371 28. 886 -6. 575 32. 309 1. 00 24. 91 atoms 2853 OG SER 371 28. 557 -7. 746 33. 040 1. 00 22. 94 atoms 2854 C SER 371 28. 214 -4. 976 34. 121 1. 00 22. 34 atoms 2855 O SER 371 28. 838 -3. 932 34. 384 1. 00 20. 05 atom 2856 N VAL 372 27. 745 -5. 800 35. 056 1. 00 21. 56 atoms 2857 CA VAL 372 27. 898 -5. 509 36. 473 1. 00 15. 57 atoms 2858 CB VAL 372 26. 561 -5. 566 37. 207 1. 00 19. 67 atoms 2859 CG1 VAL 372 26. 720 -4. 920 38. 592 1. 00 26. 20 atoms 2860 CG2 VAL 372 25. 471 -4. 875 36. 402 1. 00 10. 49 atoms 2861 C VAL 372 28. 832 -6. 431 37. 221 1. 00 15. 58 atoms 2862 O VAL 372 28. 930 -7. 627 36. 922 1. 00 14. 13 atoms 2863 N ALA 373 29. 520 -5. 845 38. 196 1. 00 16. 39 atoms 2864 CA ALA 373 30. 438 -6. 563 39. 074 1. 00 18. 31 atom 2865 CB ALA 373 31. 826 -6. 545 38. 495 1. 00 16. 15 atoms 2866 C ALA 373 30. 416 -5. 854 40. 438 1. 00 20. 53 atoms 2867 O ALA 373 29. 603 -4. 963 40. 667 1. 00 26. 41 atoms 2868 N HIS 374 31. 302 -6. 233 41. 347 1. 00 23. 28 atoms 2869 CA HIS 374 31. 333 -5. 589 42. 654 1. 00 21. 68 atoms 2870 CB HIS 374 30. 696 -6. 495 43. 685 1. 00 23. 76 atoms 2871 CG HIS 374 29. 232 -6. 653 43. 487 1. 00 23. 91 atoms 2872 CD2 HIS 374 28. 196 -5. 868 43. 863 1. 00 25. 69 atoms 2873 ND1 HIS 374 28. 694 -7. 672 42. 732 1. 00 26. 95 atoms 2874 CE1 HIS 374 27. 386 -7. 507 42. 650 1. 00 29. 89 atoms 2875 NE2 HIS 374 27. 058 -6. 420 43. 327 1. 00 29. 47 atoms 2876 C HIS 374 32. 732 -5. 231 43. 070 1. 00 21. 80 atoms 2877 O HIS 374 33. 660 -6. 002 42. 859 1. 00 21. 70 atoms 2878 N ASP 375 32. 893 -4. 064 43. 675 1. 00 24. 44 atoms 2879 CA ASP 375 34. 228 -3. 644 44. 070 1. 00 28. 87 atoms 2880 CB ASP 375 34. 365 -2. 128 43. 963 1. 00 26. 72 atoms 2881 CG ASP 375 34. 061 -1. 422 45. 274 1. 00 35. 28 atoms 2882 OD1 ASP 375 32. 918 -1. 530 45. 763 1. 00 34. 88 atoms 2883 OD2 ASP 375 34. 971 -0. 762 45. 820 1. 00 41. 21 atom 2884 C ASP 375 34. 624 -4. 112 45. 471 1. 00 32. 70 atoms 2885 O ASP 375 33. 977 -4. 977 46. 062 1. 00 31. 75 atoms 2886 N ALA 376 35. 724 -3. 549 45. 961 1. 00 37. 02 atom 2887 CA ALA 376 36. 280 -3. 854 47. 268 1. 00 36. 04 atom 2888 CB ALA 376 37. 426 -2. 890 47. 558 1. 00 35. 93 atoms 2889 C ALA 376 35. 227 -3. 765 48. 368 1. 00 38. 47 atoms 2890 O ALA 376 35. 063 -4. 700 49. 158 1. 00 40. 65 atoms 2891 N SER 377 34. 522 -2. 636 48. 418 1. 00 36. 68 atoms 2892 CA SER 377 33. 486 -2. 408 49. 421 1. 00 36. 49 atoms 2893 CB SER 377 33. 243 -0. 906 49. 597 1. 00 37. 48 atoms 2894 OG SER 377 32. 235 -0. 446 48. 709 1. 00 39. 42 atoms 2895 C SER 377 32. 174 -3. 088 49. 060 1. 00 35. 46 atoms 2896 O SER 377 31. 138 -2. 804 49. 655 1. 00 40. 61 atoms 2897 N GLY 378 32. 218 -3. 968 48. 071 1. 00 31. 94 atoms 2898 CA GLY 378 31. 031 -4. 694 47. 656 1. 00 30. 54 atoms 2899 C GLY 378 29. 927 -3. 897 46. 985 1. 00 29. 00 atom 2900 O GLY 378 28. 841 -4. 407 46. 741 1. 00 29. 96 atoms 2901 N LYS 379 30. 181 -2. 639 46. 686 1. 00 31. 48 atoms 2902 CA LYS 379 29. 157 -1. 850 46. 036 1. 00 35. 92 atoms 2903 CB LYS 379 29. 458 -0. 361 46. 194 1. 00 38. 88 atoms 2904 CG LYS 379 28. 219 0. 535 46. 092 1. 00 46. 72 atoms 2905 CD LYS 379 28. 395 1. 885 46. 812 1. 00 49. 32 atoms 2906 CE LYS 379 29. 863 2. 313 46. 891 1. 00 52. 18 atoms 2907 NZ LYS 379 30. 492 1. 882 48. 176 1. 00 50. 19 atoms 2908 C LYS 379 29. 128 -2. 234 44. 555 1. 00 36. 66 atoms 2909 O LYS 379 30. 180 -2. 461 43. 931 1. 00 33. 38 atoms 2910 N ARG 380 27. 923 -2. 320 44. 001 1. 00 33. 24 atoms 2911 CA ARG 380 27. 769 -2. 663 42. 598 1. 00 31. 43 atoms 2912 CB ARG 380 26. 283 -2. 688 42. 216 1. 00 28. 74 atoms 2913 CG ARG 380 25. 776 -4. 105 41. 995 1. 00 31. 92 atoms 2914 CD ARG 380 24. 294 -4. 180 41. 834 1. 00 29. 13 atoms 2915 NE ARG 380 23. 707 -2. 877 41. 580 1. 00 37. 71 atoms 2916 CZ ARG 380 23. 446 -2. 397 40. 370 1. 00 44. 95 atoms 2917 NH1 ARG 380 23. 727 -3. 122 39. 291 1. 00 44. 04 atom 2918 NH2 ARG 380 22. 876 -1. 198 40. 239 1. 00 46. 73 atoms 2919 C ARG 380 28. 514 -1. 682 41. 700 1. 00 30. 44 atoms 2920 O ARG 380 28. 505 -0. 480 41. 941 1. 00 30. 65 atoms 2921 N VAL 381 29. 185 -2. 207 40. 680 1. 00 28. 65 atoms 2922 CA VAL 381 29. 908 -1. 366 39. 736 1. 00 25. 65 atoms 2923 CB VAL 381 31. 431 -1. 334 40. 028 1. 00 24. 97 atoms 2924 CG1 VAL 381 32. 146 -0. 472 38. 976 1. 00 27. 18 atoms 2925 CG2 VAL 381 31. 683 -0. 758 41. 417 1. 00 21. 96 atoms 2926 C VAL 381 29. 671 -1. 827 38. 289 1. 00 25. 25 atoms 2927 O VAL 381 29. 862 -3. 003 37. 927 1. 00 24. 76 atoms 2928 N TYR 382 29. 229 -0. 878 37. 477 1. 00 20. 70 atoms 2929 CA TYR 382 28. 960 -1. 113 36. 069 1. 00 22. 49 atoms 2930 CB TYR 382 27. 831 -0. 198 35. 603 1. 00 19. 31 atom 2931 CG TYR 382 26. 470 -0. 566 36. 127 1. 00 19. 83 atoms 2932 CD1 TYR 382 25. 954 0. 048 37. 275 1. 00 23. 95 atoms 2933 CE1 TYR 382 24. 647 -0. 207 37. 707 1. 00 23. 01 atom 2934 CD2 TYR 382 25. 653 -1. 453 35. 428 1. 00 15. 52 atoms 2935 CE2 TYR 382 24. 348 -1. 718 35. 841 1. 00 16. 17 atoms 2936 CZ TYR 382 23. 847 -1. 083 36. 980 1. 00 24. 06 atom 2937 OH TYR 382 22. 539 -1. 289 37. 367 1. 00 27. 97 atoms 2938 C TYR 382 30. 222 -0. 797 35. 268 1. 00 20. 28 atoms 2939 O TYR 382 30. 849 0. 228 35. 494 1. 00 17. 61 atoms 2940 N TYR 383 30. 577 -1. 679 34. 333 1. 00 22. 04 atom 2941 CA TYR 383 31. 759 -1. 498 33. 480 1. 00 17. 05 atom 2942 CB TYR 383 32. 930 -2. 279 34. 066 1. 00 14. 01 atom 2943 CG TYR 383 32. 781 -3. 782 33. 968 1. 00 15. 16 atoms 2944 CD1 TYR 383 31. 806 -4. 463 34. 725 1. 00 12. 97 atoms 2945 CE1 TYR 383 31. 650 -5. 861 34. 630 1. 00 6. 21 atom 2946 CD2 TYR 383 33. 608 -4. 536 33. 111 1. 00 9. 83 atoms 2947 CE2 TYR 383 33. 461 -5. 920 33. 013 1. 00 7. 71 atoms 2948 CZ TYR 383 32. 482 -6. 570 33. 769 1. 00 10. 71 atoms 2949 OH TYR 383 32. 324 -7. 918 33. 628 1. 00 17. 89 atoms 2950 C TYR 383 31. 539 -1. 936 32. 006 1. 00 18. 86 atoms 2951 O TYR 383 30. 604 -2. 676 31. 682 1. 00 9. 75 atoms 2952 N LEU 384 32. 428 -1. 468 31. 133 1. 00 20. 41 atoms 2953 CA LEU 384 32. 387 -1. 761 29. 700 1. 00 22. 72 atoms 2954 CB LEU 384 33. 089 -0. 653 28. 906 1. 00 27. 28 atoms 2955 CG LEU 384 32. 206 0. 373 28. 189 1. 00 33. 06 atom 2956 CD1 LEU 384 33. 065 1. 244 27. 233 1. 00 34. 76 atoms 2957 CD2 LEU 384 31. 112 -0. 361 27. 442 1. 00 21. 43 atoms 2958 C LEU 384 33. 091 -3. 066 29. 392 1. 00 23. 29 atoms 2959 O LEU 384 34. 285 -3. 224 29. 672 1. 00 16. 65 atoms 2960 N THR 385 32. 368 -4. 002 28. 803 1. 00 20. 42 atoms 2961 CA THR 385 33. 006 -5. 257 28. 488 1. 00 25. 24 atoms 2962 CB THR 385 32. 725 -6. 312 29. 566 1. 00 24. 34 atoms 2963 OG1 THR 385 33. 725 -7. 341 29. 500 1. 00 25. 86 atoms 2964 CG2 THR 385 31. 365 -6. 920 29. 353 1. 00 25. 15 atoms 2965 C THR 385 32. 625 -5. 803 27. 115 1. 00 28. 01 atom 2966 O THR 385 31. 850 -5. 190 26. 371 1. 00 27. 17 atoms 2967 N ARG 386 33. 151 -6. 976 26. 788 1. 00 29. 12 atoms 2968 CA ARG 386 32. 886 -7. 513 25. 479 1. 00 27. 83 atoms 2969 CB ARG 386 33. 539 -6. 542 24. 501 1. 00 27. 61 atoms 2970 CG ARG 386 33. 829 -7. 097 23. 168 1. 00 31. 30 atoms 2971 CD ARG 386 35. 308 -7. 124 22. 857 1. 00 23. 16 atoms 2972 NE ARG 386 35. 409 -7. 801 21. 577 1. 00 16. 35 atoms 2973 CZ ARG 386 35. 558 -7. 169 20. 428 1. 00 12. 96 atoms 2974 NH1 ARG 386 35. 634 -5. 839 20. 419 1. 00 12. 85 atoms 2975 NH2 ARG 386 35. 542 -7. 860 19. 294 1. 00 15. 28 atoms 2976 C ARG 386 33. 418 -8. 940 25. 299 1. 00 27. 06 atom 2977 O ARG 386 34. 192 -9. 428 26. 117 1. 00 25. 84 atoms 2978 N ASP 387 32. 968 -9. 613 24. 242 1. 00 27. 53 atoms 2979 CA ASP 387 33. 450 -10. 958 23. 924 1. 00 24. 59 atom 2980 CB ASP 387 32. 841 -11. 422 22. 615 1. 00 24. 42 atoms 2981 CG ASP 387 33. 009 -12. 888 22. 400 1. 00 22. 95 atoms 2982 OD1 ASP 387 32. 016 -13. 604 22. 563 1. 00 23. 62 atoms 2983 OD2 ASP 387 34. 134 -13. 329 22. 072 1. 00 27. 28 atoms 2984 C ASP 387 34. 966 -10. 785 23. 765 1. 00 23. 96 atoms 2985 O ASP 387 35. 424 -9. 879 23. 071 1. 00 22. 34 atoms 2986 N PRO 388 35. 764 -11. 665 24. 379 1. 00 19. 21 atom 2987 CD PRO 388 35. 473 -12. 838 25. 222 1. 00 20. 90 atoms 2988 CA PRO 388 37. 199 -11. 474 24. 242 1. 00 20. 36 atoms 2989 CB PRO 388 37. 714 -11. 909 25. 611 1. 00 15. 78 atoms 2990 CG PRO 388 36. 797 -13. 039 25. 993 1. 00 10. 82 atoms 2991 C PRO 388 37. 897 -12. 209 23. 107 1. 00 22. 20 atoms 2992 O PRO 388 39. 105 -12. 068 22. 936 1. 00 27. 27 atoms 2993 N THR 389 37. 147 -12. 986 22. 341 1. 00 21. 30 atoms 2994 CA THR 389 37. 707 -13. 756 21. 233 1. 00 20. 33 atoms 2995 CB THR 389 36. 572 -14. 319 20. 365 1. 00 22. 95 atoms 2996 OG1 THR 389 35. 905 -15. 371 21. 074 1. 00 16. 21 atoms 2997 CG2 THR 389 37. 116 -14. 857 19. 059 1. 00 24. 76 atoms 2998 C THR 389 38. 714 -13. 017 20. 333 1. 00 21. 29 atoms 2999 O THR 389 39. 837 -13. 472 20. 135 1. 00 25. 30 atoms 3000 N THR 390 38. 314 -11. 879 19. 790 1. 00 21. 06 Atom 3001 CA THR 390 39. 189 -11. 112 18. 907 1. 00 20. 45 atoms 3002 CB THR 390 38. 366 -9. 966 18. 182 1. 00 22. 74 atoms 3003 OG1 THR 390 37. 404 -10. 571 17. 309 1. 00 15. 53 atoms 3004 CG2 THR 390 39. 276 -9. 031 17. 364 1. 00 9. 68 atoms 3005 C THR 390 40. 424 -10. 547 19. 625 1. 00 21. 65 atoms 3006 O THR 390 41. 555 -10. 778 19. 192 1. 00 26. 77 atoms 3007 N PRO 391 40. 232 -9. 781 20. 711 1. 00 20. 31 atom 3008 CD PRO 391 38. 970 -9. 345 21. 336 1. 00 24. 13 atoms 3009 CA PRO 391 41. 405 -9. 241 21. 410 1. 00 18. 82 atoms 3010 CB PRO 391 40. 820 -8. 613 22. 671 1. 00 19. 00 atom 3011 CG PRO 391 39. 420 -8. 283 22. 309 1. 00 22. 38 atoms 3012 C PRO 391 42. 391 -10. 359 21. 751 1. 00 19. 91 atoms 3013 O PRO 391 43. 597 -10. 187 21. 684 1. 00 21. 23 atoms 3014 N LEU 392 41. 856 -11. 511 22. 127 1. 00 20. 70 atoms 3015 CA LEU 392 42. 692 -12. 650 22. 458 1. 00 20. 82 atoms 3016 CB LEU 392 41. 841 -13. 759 23. 073 1. 00 17. 55 atoms 3017 CG LEU 392 41. 345 -13. 392 24. 478 1. 00 21. 46 atoms 3018 CD1 LEU 392 40. 825 -14. 630 25. 205 1. 00 15. 26 atoms 3019 CD2 LEU 392 42. 485 -12. 737 25. 250 1. 00 15. 90 atoms 3020 C LEU 392 43. 416 -13. 148 21. 204 1. 00 24. 09 atom 3021 O LEU 392 44. 650 -13. 216 21. 188 1. 00 23. 77 atoms 3022 N ALA 393 42. 664 -13. 472 20. 151 1. 00 17. 72 atoms 3023 CA ALA 393 43. 297 -13. 951 18. 936 1. 00 16. 17 atoms 3024 CB ALA 393 42. 258 -14. 247 17. 869 1. 00 22. 26 atoms 3025 C ALA 393 44. 293 -12. 917 18. 436 1. 00 12. 90 atoms 3026 O ALA 393 45. 385 -13. 261 18. 017 1. 00 13. 43 atoms 3027 N ARG 394 43. 931 -11. 645 18. 489 1. 00 14. 42 atoms 3028 CA ARG 394 44. 846 -10. 624 18. 021 1. 00 17. 59 atoms 3029 CB ARG 394 44. 150 -9. 256 17. 943 1. 00 14. 82 atoms 3030 CG ARG 394 42. 984 -9. 215 16. 962 1. 00 16. 07 atom 3031 CD ARG 394 42. 631 -7. 760 16. 526 1. 00 12. 41 atom 3032 NE ARG 394 41. 684 -7. 773 15. 413 1. 00 14. 24 atoms 3033 CZ ARG 394 40. 850 -6. 787 15. 087 1. 00 17. 39 atoms 3034 NH1 ARG 394 40. 817 -5. 667 15. 781 1. 00 10. 53 atoms 3035 NH2 ARG 394 40. 019 -6. 940 14. 066 1. 00 20. 76 atoms 3036 C ARG 394 46. 004 -10. 594 19. 016 1. 00 22. 24 atoms 3037 O ARG 394 47. 155 -10. 344 18. 655 1. 00 26. 32 atoms 3038 N ALA 395 45. 685 -10. 866 20. 274 1. 00 24. 17 atoms 3039 CA ALA 395 46. 683 -10. 893 21. 330 1. 00 22. 92 atoms 3040 CB ALA 395 46. 023 -11. 255 22. 648 1. 00 21. 94 atoms 3041 C ALA 395 47. 737 -11. 929 20. 955 1. 00 21. 60 atoms 3042 O ALA 395 48. 914 -11. 617 20. 853 1. 00 26. 01 atom 3043 N ALA 396 47. 310 -13. 161 20. 731 1. 00 17. 87 atoms 3044 CA ALA 396 48. 241 -14. 216 20. 349 1. 00 20. 24 atoms 3045 CB ALA 396 47. 456 -15. 498 20. 012 1. 00 14. 04 atom 3046 C ALA 396 49. 138 -13. 809 19. 158 1. 00 21. 01 atom 3047 O ALA 396 50. 365 -13. 943 19. 201 1. 00 22. 33 atoms 3048 N TRP 397 48. 510 -13. 311 18. 100 1. 00 23. 99 atoms 3049 CA TRP 397 49. 211 -12. 899 16. 895 1. 00 24. 01 atom 3050 CB TRP 397 48. 224 -12. 242 15. 910 1. 00 26. 48 atoms 3051 CG TRP 397 48. 767 -12. 062 14. 503 1. 00 21. 25 atoms 3052 CD2 TRP 397 48. 534 -12. 918 13. 380 1. 00 18. 44 atoms 3053 CE2 TRP 397 49. 284 -12. 406 12. 295 1. 00 21. 16 atoms 3054 CE3 TRP 397 47. 767 -14. 068 13. 183 1. 00 20. 72 atoms 3055 CD1 TRP 397 49. 621 -11. 083 14. 067 1. 00 24. 22 atoms 3056 NE1 TRP 397 49. 936 -11. 286 12. 739 1. 00 26. 31 atom 3057 CZ2 TRP 397 49. 289 -13. 010 11. 037 1. 00 20. 85 atoms 3058 CZ3 TRP 397 47. 771 -14. 672 11. 924 1. 00 21. 73 atoms 3059 CH2 TRP 397 48. 528 -14. 140 10. 872 1. 00 22. 07 atom 3060 C TRP 397 50. 347 -11. 933 17. 192 1. 00 26. 70 atoms 3061 O TRP 397 51. 503 -12. 193 16. 868 1. 00 28. 31 atoms 3062 N GLU 398 50. 017 -10. 812 17. 811 1. 00 26. 37 atoms 3063 CA GLU 398 51. 020 -9. 806 18. 112 1. 00 27. 65 atoms 3064 CB GLU 398 50. 315 -8. 560 18. 657 1. 00 28. 99 atoms 3065 CG GLU 398 49. 578 -7. 787 17. 567 1. 00 18. 59 atoms 3066 CD GLU 398 48. 272 -7. 200 18. 038 1. 00 27. 32 atoms 3067 OE1 GLU 398 47. 227 -7. 608 17. 484 1. 00 24. 97 atoms 3068 OE2 GLU 398 48. 294 -6. 338 18. 953 1. 00 22. 57 atoms 3069 C GLU 398 52. 159 -10. 274 19. 032 1. 00 30. 21 atom 3070 O GLU 398 53. 148 -9. 560 19. 213 1. 00 31. 40 atoms 3071 N THR 399 52. 014 -11. 475 19. 599 1. 00 31. 36 atoms 3072 CA THR 399 53. 037 -12. 088 20. 452 1. 00 28. 89 atoms 3073 CB THR 399 52. 398 -12. 967 21. 550 1. 00 28. 74 atoms 3074 OG1 THR 399 51. 402 -12. 216 22. 242 1. 00 28. 05 atom 3075 CG2 THR 399 53. 439 -13. 418 22. 545 1. 00 27. 81 atoms 3076 C THR 399 53. 919 -12. 988 19. 548 1. 00 29. 90 atoms 3077 O THR 399 55. 110 -13. 197 19. 803 1. 00 21. 09 atom 3078 N ALA 400 53. 309 -13. 537 18. 500 1. 00 31. 86 atoms 3079 CA ALA 400 54. 027 -14. 377 17. 532 1. 00 29. 44 atoms 3080 CB ALA 400 53. 043 -15. 260 16. 751 1. 00 24. 28 atoms 3081 C ALA 400 54. 805 -13. 499 16. 558 1. 00 27. 37 atoms 3082 O ALA 400 55. 970 -13. 745 16. 318 1. 00 28. 03 atom 3083 N ARG 401 54. 158 -12. 463 16. 021 1. 00 30. 79 atoms 3084 CA ARG 401 54. 770 -11. 549 15. 041 1. 00 33. 84 atoms 3085 CB ARG 401 54. 055 -11. 686 13. 691 1. 00 36. 55 atoms 3086 CG ARG 401 54. 832 -11. 172 12. 471 1. 00 42. 71 atoms 3087 CD ARG 401 54. 461 -12. 002 11. 236 1. 00 54. 18 atoms 3088 NE ARG 401 55. 092 -11. 549 9. 991 1. 00 62. 65 atoms 3089 CZ ARG 401 54. 437 -11. 329 8. 849 1. 00 63. 48 atoms 3090 NH1 ARG 401 53. 126 -11. 515 8. 781 1. 00 62. 64 atoms 3091 NH2 ARG 401 55. 093 -10. 928 7. 768 1. 00 62. 06 atom 3092 C ARG 401 54. 734 -10. 078 15. 451 1. 00 35. 86 atoms 3093 O ARG 401 53. 655 -9. 508 15. 650 1. 00 36. 31 atom 3094 N HIS 402 55. 908 -9. 459 15. 550 1. 00 36. 73 atoms 3095 CA HIS 402 55. 977 -8. 055 15. 929 1. 00 43. 53 atoms 3096 CB HIS 402 57. 419 -7. 533 15. 895 1. 00 47. 85 atoms 3097 CG HIS 402 57. 548 -6. 102 16. 332 1. 00 54. 22 atoms 3098 CD2 HIS 402 58. 535 -5. 456 17. 001 1. 00 57. 20 atoms 3099 ND1 HIS 402 56. 583 -5. 151 16. 068 1. 00 56. 15 atoms 3100 CE1 HIS 402 56. 969 -3. 984 16. 552 1. 00 56. 20 atoms 3101 NE2 HIS 402 58. 151 -4. 140 17. 123 1. 00 57. 51 atoms 3102 C HIS 402 55. 103 -7. 160 15. 055 1. 00 43. 10 atoms 3103 O HIS 402 55. 241 -7. 116 13. 828 1. 00 37. 82 atoms 3104 N THR 403 54. 228 -6. 426 15. 734 1. 00 44. 21 atoms 3105 CA THR 403 53. 286 -5. 512 15. 114 1. 00 46. 78 atoms 3106 CB THR 403 51. 872 -5. 967 15. 444 1. 00 47. 77 atoms 3107 OG1 THR 403 51. 724 -6. 042 16. 865 1. 00 53. 44 atoms 3108 CG2 THR 403 51. 630 -7. 356 14. 879 1. 00 45. 97 atoms 3109 C THR 403 53. 549 -4. 099 15. 655 1. 00 47. 61 atoms 3110 O THR 403 53. 456 -3. 852 16. 855 1. 00 48. 66 atoms 3111 N PRO 404 53. 870 -3. 149 14. 769 1. 00 46. 68 atoms 3112 CD PRO 404 53. 955 -3. 250 13. 304 1. 00 46. 25 atoms 3113 CA PRO 404 54. 147 -1. 790 15. 232 1. 00 46. 27 atoms 3114 CB PRO 404 54. 578 -1. 057 13. 961 1. 00 45. 29 atoms 3115 CG PRO 404 53. 928 -1. 812 12. 871 1. 00 42. 84 atoms 3116 C PRO 404 52. 976 -1. 117 15. 923 1. 00 45. 84 atoms 3117 O PRO 404 53. 160 -0. 411 16. 919 1. 00 50. 57 atoms 3118 N VAL 405 51. 776 -1. 312 15. 384 1. 00 42. 54 atoms 3119 CA VAL 405 50. 579 -0. 724 15. 981 1. 00 38. 63 atoms 3120 CB VAL 405 49. 803 0. 128 14. 966 1. 00 37. 25 atoms 3121 CG1 VAL 405 48. 415 0. 436 15. 507 1. 00 35. 73 atoms 3122 CG2 VAL 405 50. 569 1. 426 14. 696 1. 00 40. 20 atoms 3123 C VAL 405 49. 700 -1. 852 16. 487 1. 00 35. 69 atoms 3124 O VAL 405 48. 826 -2. 352 15. 771 1. 00 35. 97 atoms 3125 N ASN 406 49. 941 -2. 248 17. 733 1. 00 32. 68 atoms 3126 CA ASN 406 49. 213 -3. 352 18. 334 1. 00 31. 20 atoms 3127 CB ASN 406 50. 015 -3. 941 19. 506 1. 00 36. 47 atoms 3128 CG ASN 406 50. 173 -2. 966 20. 668 1. 00 35. 06 atom 3129 OD1 ASN 406 51. 285 -2. 715 21. 130 1. 00 41. 22 atoms 3130 ND2 ASN 406 49. 065 -2. 424 21. 146 1. 00 31. 42 atoms 3131 C ASN 406 47. 808 -3. 032 18. 804 1. 00 29. 41 atoms 3132 O ASN 406 47. 365 -1. 882 18. 785 1. 00 26. 28 atoms 3133 N SER 407 47. 121 -4. 081 19. 238 1. 00 27. 69 atoms 3134 CA SER 407 45. 767 -3. 967 19. 737 1. 00 26. 15 atoms 3135 CB SER 407 44. 853 -4. 921 18. 963 1. 00 26. 19 atoms 3136 OG SER 407 45. 168 -6. 272 19. 273 1. 00 23. 64 atoms 3137 C SER 407 45. 714 -4. 314 21. 226 1. 00 22. 95 atoms 3138 O SER 407 44. 863 -3. 800 21. 955 1. 00 20. 75 atoms 3139 N TRP 408 46. 620 -5. 178 21. 675 1. 00 21. 03 atom 3140 CA TRP 408 46. 619 -5. 595 23. 075 1. 00 21. 98 atoms 3141 CB TRP 408 47. 656 -6. 716 23. 317 1. 00 24. 50 atoms 3142 CG TRP 408 49. 082 -6. 282 23. 337 1. 00 34. 03 atom 3143 CD2 TRP 408 49. 810 -5. 745 24. 453 1. 00 38. 01 atom 3144 CE2 TRP 408 51. 112 -5. 440 23. 996 1. 00 40. 00 atom 3145 CE3 TRP 408 49. 488 -5. 484 25. 793 1. 00 40. 43 atoms 3146 CD1 TRP 408 49. 947 -6. 290 22. 286 1. 00 39. 23 atoms 3147 NE1 TRP 408 51. 166 -5. 783 22. 670 1. 00 41. 55 atoms 3148 CZ2 TRP 408 52. 096 -4. 890 24. 829 1. 00 38. 74 atoms 3149 CZ3 TRP 408 50. 468 -4. 935 26. 622 1. 00 39. 17 atoms 3150 CH2 TRP 408 51. 756 -4. 644 26. 132 1. 00 38. 81 atoms 3151 C TRP 408 46. 768 -4. 475 24. 109 1. 00 17. 96 atoms 3152 O TRP 408 46. 078 -4. 492 25. 123 1. 00 14. 08 atom 3153 N LEU 409 47. 641 -3. 496 23. 867 1. 00 18. 71 atoms 3154 CA LEU 409 47. 797 -2. 409 24. 821 1. 00 20. 06 atom 3155 CB LEU 409 48. 926 -1. 444 24. 406 1. 00 20. 61 atoms 3156 CG LEU 409 49. 414 -0. 424 25. 474 1. 00 18. 35 atoms 3157 CD1 LEU 409 48. 825 -0. 708 26. 837 1. 00 5. 22 atoms 3158 CD2 LEU 409 50. 919 -0. 481 25. 586 1. 00 23. 57 atoms 3159 C LEU 409 46. 474 -1. 656 24. 944 1. 00 22. 79 atoms 3160 O LEU 409 46. 007 -1. 364 26. 053 1. 00 29. 34 atoms 3161 N GLY 410 45. 878 -1. 348 23. 798 1. 00 25. 51 atoms 3162 CA GLY 410 44. 605 -0. 645 23. 766 1. 00 17. 80 atoms 3163 C GLY 410 43. 507 -1. 458 24. 420 1. 00 17. 47 atoms 3164 O GLY 410 42. 665 -0. 911 25. 130 1. 00 20. 34 atoms 3165 N ASN 411 43. 495 -2. 767 24. 201 1. 00 14. 98 atoms 3166 CA ASN 411 42. 454 -3. 585 24. 810 1. 00 19. 92 atoms 3167 CB ASN 411 42. 508 -5. 018 24. 266 1. 00 21. 16 atoms 3168 CG ASN 411 41. 692 -5. 177 22. 990 1. 00 26. 01 atom 3169 OD1 ASN 411 40. 599 -4. 618 22. 865 1. 00 21. 55 atoms 3170 ND2 ASN 411 42. 227 -5. 928 22. 029 1. 00 26. 80 atoms 3171 C ASN 411 42. 598 -3. 557 26. 339 1. 00 23. 12 atoms 3172 O ASN 411 41. 613 -3. 374 27. 062 1. 00 24. 27 atoms 3173 N ILE 412 43. 828 -3. 712 26. 828 1. 00 23. 33 atoms 3174 CA ILE 412 44. 063 -3. 656 28. 259 1. 00 24. 19 atoms 3175 CB ILE 412 45. 569 -3. 726 28. 603 1. 00 23. 03 atom 3176 CG2 ILE 412 45. 826 -3. 053 29. 955 1. 00 15. 90 atoms 3177 CG1 ILE 412 46. 035 -5. 182 28. 659 1. 00 18. 08 atom 3178 CD1 ILE 412 47. 533 -5. 304 28. 729 1. 00 18. 86 atoms 3179 C ILE 412 43. 518 -2. 306 28. 732 1. 00 27. 08 atom 3180 O ILE 412 42. 661 -2. 239 29. 627 1. 00 26. 35 atoms 3181 N ILE 413 44. 013 -1. 235 28. 113 1. 00 23. 29 atoms 3182 CA ILE 413 43. 589 0. 109 28. 474 1. 00 24. 70 atoms 3183 CB ILE 413 44. 176 1. 146 27. 508 1. 00 23. 52 atoms 3184 CG2 ILE 413 43. 518 2. 492 27. 738 1. 00 22. 97 atoms 3185 CG1 ILE 413 45. 694 1. 227 27. 684 1. 00 18. 99 atoms 3186 CD1 ILE 413 46. 187 2. 585 28. 110 1. 00 16. 43 atoms 3187 C ILE 413 42. 067 0. 270 28. 478 1. 00 28. 54 atoms 3188 O ILE 413 41. 460 0. 546 29. 509 1. 00 28. 45 atoms 3189 N MET 414 41. 452 0. 086 27. 319 1. 00 28. 25 atoms 3190 CA MET 414 40. 015 0. 253 27. 203 1. 00 29. 19 atoms 3191 CB MET 414 39. 604 0. 219 25. 728 1. 00 32. 24 atoms 3192 CG MET 414 40. 255 1. 305 24. 859 1. 00 34. 56 atoms 3193 SD MET 414 39. 867 2. 994 25. 373 1. 00 39. 45 atoms 3194 CE MET 414 38. 086 3. 098 24. 803 1. 00 32. 14 atoms 3195 C MET 414 39. 187 -0. 757 27. 972 1. 00 27. 51 atoms 3196 O MET 414 38. 041 -0. 487 28. 318 1. 00 23. 15 atoms 3197 N TYR 415 39. 758 -1. 917 28. 263 1. 00 25. 08 atom 3198 CA TYR 415 38. 982 -2. 922 28. 955 1. 00 20. 32 atoms 3199 CB TYR 415 38. 725 -4. 072 27. 992 1. 00 24. 28 atoms 3200 CG TYR 415 37. 789 -3. 703 26. 859 1. 00 25. 64 atoms 3201 CD1 TYR 415 38. 232 -3. 672 25. 534 1. 00 29. 56 atoms 3202 CE1 TYR 415 37. 361 -3. 339 24. 487 1. 00 27. 98 atoms 3203 CD2 TYR 415 36. 462 -3. 393 27. 111 1. 00 18. 42 atoms 3204 CE2 TYR 415 35. 593 -3. 063 26. 090 1. 00 26. 13 atoms 3205 CZ TYR 415 36. 044 -3. 036 24. 781 1. 00 29. 85 atoms 3206 OH TYR 415 35. 174 -2. 681 23. 781 1. 00 36. 03 atom 3207 C TYR 415 39. 593 -3. 430 30. 254 1. 00 21. 46 atoms 3208 O TYR 415 39. 341 -4. 565 30. 658 1. 00 25. 89 atoms 3209 N ALA 416 40. 352 -2. 571 30. 928 1. 00 15. 41 atoms 3210 CA ALA 416 41. 025 -2. 928 32. 166 1. 00 15. 54 atoms 3211 CB ALA 416 41. 809 -1. 707 32. 723 1. 00 11. 41 atoms 3212 C ALA 416 40. 135 -3. 493 33. 264 1. 00 15. 02 atom 3213 O ALA 416 40. 489 -4. 460 33. 928 1. 00 19. 20 atoms 3214 N PRO 417 38. 939 -2. 947 33. 425 1. 00 15. 08 atom 3215 CD PRO 417 38. 235 -1. 912 32. 652 1. 00 12. 21 atoms 3216 CA PRO 417 38. 135 -3. 507 34. 508 1. 00 13. 68 atoms 3217 CB PRO 417 36. 989 -2. 508 34. 674 1. 00 18. 98 atoms 3218 CG PRO 417 37. 110 -1. 512 33. 544 1. 00 14. 83 atoms 3219 C PRO 417 37. 627 -4. 915 34. 303 1. 00 19. 04 atom 3220 O PRO 417 37. 314 -5. 597 35. 268 1. 00 18. 22 atoms 3221 N THR 418 37. 546 -5. 373 33. 059 1. 00 20. 00 atom 3222 CA THR 418 37. 007 -6. 709 32. 851 1. 00 20. 89 atoms 3223 CB THR 418 36. 708 -7. 032 31. 360 1. 00 18. 03 atom 3224 OG1 THR 418 37. 937 -7. 202 30. 657 1. 00 23. 26 atoms 3225 CG2 THR 418 35. 899 -5. 922 30. 713 1. 00 19. 85 atoms 3226 C THR 418 37. 886 -7. 812 33. 389 1. 00 19. 47 atoms 3227 O THR 418 39. 036 -7. 597 33. 759 1. 00 21. 87 atoms 3228 N LEU 419 37. 305 -9. 001 33. 388 1. 00 18. 19 atoms 3229 CA LEU 419 37. 917 -10. 204 33. 863 1. 00 17. 41 atoms 3230 CB LEU 419 36. 788 -11. 115 34. 280 1. 00 17. 35 atoms 3231 CG LEU 419 36. 701 -12. 615 34. 162 1. 00 17. 06 atom 3232 CD1 LEU 419 37. 430 -13. 251 35. 320 1. 00 15. 19 atoms 3233 CD2 LEU 419 35. 206 -13. 000 34. 168 1. 00 2. 59 atoms 3234 C LEU 419 38. 863 -10. 856 32. 854 1. 00 21. 73 atoms 3235 O LEU 419 39. 865 -11. 452 33. 246 1. 00 25. 73 atoms 3236 N TRP 420 38. 586 -10. 727 31. 559 1. 00 19. 46 atoms 3237 CA TRP 420 39. 486 -11. 317 30. 572 1. 00 15. 85 atoms 3238 CB TRP 420 38. 828 -11. 420 29. 185 1. 00 17. 26 atoms 3239 CG TRP 420 38. 072 -10. 210 28. 695 1. 00 16. 89 atoms 3240 CD2 TRP 420 38. 525 -9. 232 27. 738 1. 00 20. 44 atoms 3241 CE2 TRP 420 37. 459 -8. 323 27. 530 1. 00 17. 05 atom 3242 CE3 TRP 420 39. 724 -9. 039 27. 033 1. 00 15. 89 atoms 3243 CD1 TRP 420 36. 790 -9. 859 29. 015 1. 00 18. 15 atoms 3244 NE1 TRP 420 36. 416 -8. 727 28. 321 1. 00 17. 75 atoms 3245 CZ2 TRP 420 37. 559 -7. 234 26. 655 1. 00 21. 08 atom 3246 CZ3 TRP 420 39. 817 -7. 957 26. 157 1. 00 18. 36 atoms 3247 CH2 TRP 420 38. 741 -7. 070 25. 975 1. 00 14. 83 atoms 3248 C TRP 420 40. 773 -10. 517 30. 460 1. 00 20. 31 atoms 3249 O TRP 420 41. 873 -11. 087 30. 443 1. 00 21. 36 atoms 3250 N ALA 421 40. 645 -9. 192 30. 395 1. 00 18. 99 atoms 3251 CA ALA 421 41. 820 -8. 323 30. 278 1. 00 19. 53 atoms 3252 CB ALA 421 41. 381 -6. 885 30. 005 1. 00 14. 34 atoms 3253 C ALA 421 42. 723 -8. 365 31. 510 1. 00 22. 41 atoms 3254 O ALA 421 43. 950 -8. 434 31. 397 1. 00 22. 08 atom 3255 N ARG 422 42. 103 -8. 320 32. 685 1. 00 25. 03 atom 3256 CA ARG 422 42. 836 -8. 340 33. 945 1. 00 25. 45 atoms 3257 CB ARG 422 41. 871 -8. 167 35. 132 1. 00 22. 24 atoms 3258 CG ARG 422 41. 631 -6. 722 35. 541 1. 00 26. 34 atoms 3259 CD ARG 422 40. 429 -6. 583 36. 472 1. 00 25. 25 atoms 3260 NE ARG 422 40. 825 -6. 700 37. 880 1. 00 31. 26 atoms 3261 CZ ARG 422 40. 010 -7. 084 38. 859 1. 00 26. 82 atoms 3262 NH1 ARG 422 38. 748 -7. 390 38. 585 1. 00 25. 53 atoms 3263 NH2 ARG 422 40. 458 -7. 149 40. 107 1. 00 28. 34 atoms 3264 C ARG 422 43. 612 -9. 635 34. 129 1. 00 25. 74 atoms 3265 O ARG 422 44. 832 -9. 624 34. 302 1. 00 24. 21 atoms 3266 N MET 423 42. 893 -10. 751 34. 070 1. 00 25. 90 atoms 3267 CA MET 423 43. 493 -12. 046 34. 287 1. 00 23. 33 atoms 3268 CB MET 423 42. 416 -13. 048 34. 692 1. 00 22. 80 atoms 3269 CG MET 423 41. 858 -12. 787 36. 097 1. 00 17. 76 atoms 3270 SD MET 423 40. 368 -13. 726 36. 473 1. 00 26. 13 atoms 3271 CE MET 423 41. 069 -15. 281 36. 925 1. 00 29. 78 atoms 3272 C MET 423 44. 296 -12. 585 33. 131 1. 00 27. 38 atoms 3273 O MET 423 45. 426 -13. 025 33. 318 1. 00 32. 41 atoms 3274 N ILE 424 43. 738 -12. 548 31. 932 1. 00 28. 00 atom 3275 CA ILE 424 44. 464 -13. 078 30. 796 1. 00 28. 12 atoms 3276 CB ILE 424 43. 499 -13. 585 29. 690 1. 00 29. 39 atoms 3277 CG2 ILE 424 44. 250 -14. 508 28. 733 1. 00 32. 06 Atom 3278 CG1 ILE 424 42. 316 -14. 325 30. 315 1. 00 27. 61 atoms 3279 CD1 ILE 424 41. 834 -15. 508 29. 508 1. 00 26. 72 atoms 3280 C ILE 424 45. 456 -12. 105 30. 170 1. 00 26. 23 atoms 3281 O ILE 424 46. 645 -12. 374 30. 126 1. 00 21. 98 atoms 3282 N LEU 425 44. 973 -10. 969 29. 694 1. 00 26. 96 atoms 3283 CA LEU 425 45. 856 -10. 022 29. 046 1. 00 23. 05 atom 3284 CB LEU 425 45. 034 -8. 867 28. 472 1. 00 23. 77 atoms 3285 CG LEU 425 44. 802 -8. 870 26. 943 1. 00 21. 55 atoms 3286 CD1 LEU 425 44. 583 -10. 282 26. 377 1. 00 21. 92 atoms 3287 CD2 LEU 425 43. 602 -7. 999 26. 653 1. 00 17. 53 atoms 3288 C LEU 425 46. 998 -9. 519 29. 926 1. 00 26. 70 atoms 3289 O LEU 425 48. 140 -9. 950 29. 742 1. 00 30. 65 atoms 3290 N MET 426 46. 713 -8. 636 30. 884 1. 00 24. 60 atoms 3291 CA MET 426 47. 761 -8. 101 31. 771 1. 00 19. 17 atoms 3292 CB MET 426 47. 148 -7. 514 33. 049 1. 00 17. 82 atoms 3293 CG MET 426 46. 479 -6. 141 32. 881 1. 00 24. 33 atoms 3294 SD MET 426 45. 521 -5. 688 34. 357 1. 00 22. 16 atoms 3295 CE MET 426 44. 029 -4. 983 33. 628 1. 00 23. 93 atoms 3296 C MET 426 48. 777 -9. 165 32. 188 1. 00 19. 10 atoms 3297 O MET 426 49. 989 -8. 979 32. 054 1. 00 12. 33 atoms 3298 N THR 427 48. 267 -10. 281 32. 700 1. 00 18. 78 atoms 3299 CA THR 427 49. 125 -11. 352 33. 182 1. 00 21. 30 atoms 3300 CB THR 427 48. 283 -12. 569 33. 636 1. 00 20. 56 atoms 3301 OG1 THR 427 47. 293 -12. 125 34. 571 1. 00 21. 39 atoms 3302 CG2 THR 427 49. 155 -13. 620 34. 317 1. 00 18. 69 atoms 3303 C THR 427 50. 149 -11. 783 32. 149 1. 00 25. 61 atoms 3304 O THR 427 51. 348 -11. 796 32. 435 1. 00 23. 48 atoms 3305 N HIS 428 49. 671 -12. 071 30. 934 1. 00 29. 58 atoms 3306 CA HIS 428 50. 514 -12. 543 29. 834 1. 00 25. 46 atoms 3307 CB HIS 428 49. 628 -13. 067 28. 688 1. 00 25. 48 atoms 3308 CG HIS 428 50. 383 -13. 412 27. 438 1. 00 28. 07 atom 3309 CD2 HIS 428 50. 706 -14. 609 26. 893 1. 00 26. 29 atoms 3310 ND1 HIS 428 50. 920 -12. 456 26. 599 1. 00 32. 13 atoms 3311 CE1 HIS 428 51. 541 -13. 049 25. 595 1. 00 28. 43 atoms 3312 NE2 HIS 428 51. 425 -14. 355 25. 750 1. 00 27. 25 atoms 3313 C HIS 428 51. 553 -11. 574 29. 270 1. 00 23. 01 atom 3314 O HIS 428 52. 687 -11. 962 29. 011 1. 00 24. 23 atoms 3315 N PHE 429 51. 192 -10. 318 29. 086 1. 00 21. 06 atom 3316 CA PHE 429 52. 150 -9. 404 28. 496 1. 00 22. 48 atoms 3317 CB PHE 429 51. 430 -8. 262 27. 773 1. 00 25. 70 atoms 3318 CG PHE 429 50. 958 -8. 633 26. 394 1. 00 28. 92 atoms 3319 CD1 PHE 429 49. 682 -9. 146 26. 200 1. 00 26. 69 atoms 3320 CD2 PHE 429 51. 804 -8. 501 25. 291 1. 00 27. 61 atoms 3321 CE1 PHE 429 49. 252 -9. 529 24. 932 1. 00 31. 49 atoms 3322 CE2 PHE 429 51. 380 -8. 883 24. 017 1. 00 27. 65 atoms 3323 CZ PHE 429 50. 105 -9. 398 23. 835 1. 00 26. 84 atoms 3324 C PHE 429 53. 137 -8. 872 29. 492 1. 00 20. 77 atoms 3325 O PHE 429 54. 265 -8. 563 29. 139 1. 00 21. 91 atoms 3326 N PHE 430 52. 733 -8. 751 30. 745 1. 00 22. 30 atoms 3327 CA PHE 430 53. 700 -8. 286 31. 726 1. 00 22. 59 atoms 3328 CB PHE 430 53. 033 -7. 977 33. 072 1. 00 24. 91 atoms 3329 CG PHE 430 52. 774 -6. 514 33. 259 1. 00 26. 03 atom 3330 CD1 PHE 430 51. 602 -5. 939 32. 762 1. 00 30. 68 atoms 3331 CD2 PHE 430 53. 749 -5. 686 33. 811 1. 00 20. 79 atoms 3332 CE1 PHE 430 51. 415 -4. 553 32. 802 1. 00 28. 98 atoms 3333 CE2 PHE 430 53. 572 -4. 323 33. 855 1. 00 21. 47 atoms 3334 CZ PHE 430 52. 405 -3. 747 33. 348 1. 00 22. 42 atoms 3335 C PHE 430 54. 799 -9. 330 31. 867 1. 00 13. 18 atoms 3336 O PHE 430 55. 966 -8. 994 31. 865 1. 00 12. 59 atoms 3337 N SER 431 54. 435 -10. 596 31. 928 1. 00 11. 96 atoms 3338 CA SER 431 55. 455 -11. 637 32. 033 1. 00 20. 34 atoms 3339 CB SER 431 54. 813 -13. 002 32. 226 1. 00 20. 23 atoms 3340 OG SER 431 55. 091 -13. 821 31. 115 1. 00 30. 81 atoms 3341 C SER 431 56. 344 -11. 684 30. 794 1. 00 23. 41 atom 3342 O SER 431 57. 555 -11. 847 30. 903 1. 00 22. 98 atoms 3343 N ILE 432 55. 732 -11. 548 29. 617 1. 00 26. 02 atom 3344 CA ILE 432 56. 470 -11. 565 28. 354 1. 00 24. 15 atoms 3345 CB ILE 432 55. 507 -11. 580 27. 130 1. 00 29. 47 atoms 3346 CG2 ILE 432 56. 290 -11. 349 25. 834 1. 00 26. 68 atoms 3347 CG1 ILE 432 54. 737 -12. 905 27. 079 1. 00 23. 71 atom 3348 CD1 ILE 432 55. 608 -14. 126 26. 962 1. 00 28. 14 atoms 3349 C ILE 432 57. 348 -10. 329 28. 264 1. 00 23. 16 atoms 3350 O ILE 432 58. 558 -10. 426 28. 106 1. 00 23. 35 atoms 3351 N LEU 433 56. 724 -9. 164 28. 371 1. 00 23. 94 atoms 3352 CA LEU 433 57. 435 -7. 894 28. 309 1. 00 28. 88 atoms 3353 CB LEU 433 56. 441 -6. 747 28. 501 1. 00 30. 58 atoms 3354 CG LEU 433 56. 346 -5. 678 27. 407 1. 00 33. 37 atoms 3355 CD1 LEU 433 56. 205 -6. 322 26. 028 1. 00 32. 23 atoms 3356 CD2 LEU 433 55. 145 -4. 785 27. 718 1. 00 36. 50 atoms 3357 C LEU 433 58. 553 -7. 817 29. 363 1. 00 31. 43 atoms 3358 O LEU 433 59. 625 -7. 268 29. 121 1. 00 31. 96 atoms 3359 N LEU 434 58. 284 -8. 367 30. 540 1. 00 34. 05 atom 3360 CA LEU 434 59. 254 -8. 402 31. 629 1. 00 32. 03 atom 3361 CB LEU 434 58. 606 -9. 059 32. 855 1. 00 33. 37 atoms 3362 CG LEU 434 59. 129 -8. 941 34. 288 1. 00 31. 50 atoms 3363 CD1 LEU 434 59. 629 -7. 550 34. 594 1. 00 34. 29 atoms 3364 CD2 LEU 434 57. 989 -9. 282 35. 220 1. 00 34. 33 atoms 3365 C LEU 434 60. 470 -9. 231 31. 203 1. 00 30. 59 atoms 3366 O LEU 434 61. 612 -8. 795 31. 326 1. 00 30. 54 atoms 3367 N ALA 435 60. 200 -10. 429 30. 696 1. 00 28. 04 atom 3368 CA ALA 435 61. 236 -11. 357 30. 283 1. 00 27. 70 atoms 3369 CB ALA 435 60. 606 -12. 560 29. 606 1. 00 23. 29 atoms 3370 C ALA 435 62. 303 -10. 759 29. 389 1. 00 31. 48 atoms 3371 O ALA 435 63. 493 -10. 976 29. 618 1. 00 37. 97 atoms 3372 N GLN 436 61. 890 -10. 007 28. 379 1. 00 33. 13 atoms 3373 CA GLN 436 62. 827 -9. 398 27. 444 1. 00 34. 38 atoms 3374 CB GLN 436 62. 195 -9. 358 26. 051 1. 00 33. 83 atoms 3375 CG GLN 436 61. 279 -10. 536 25. 748 1. 00 36. 51 atoms 3376 CD GLN 436 60. 003 -10. 132 25. 018 1. 00 42. 61 atoms 3377 OE1 GLN 436 59. 401 -9. 102 25. 321 1. 00 44. 59 atoms 3378 NE2 GLN 436 59. 585 -10. 948 24. 051 1. 00 42. 60 atoms 3379 C GLN 436 63. 300 -7. 991 27. 832 1. 00 35. 80 atoms 3380 O GLN 436 63. 988 -7. 329 27. 065 1. 00 34. 86 atoms 3381 N GLU 437 62. 953 -7. 537 29. 028 1. 00 39. 49 atoms 3382 CA GLU 437 63. 343 -6. 191 29. 471 1. 00 45. 63 atoms 3383 CB GLU 437 64. 878 -6. 048 29. 504 1. 00 47. 97 atoms 3384 CG GLU 437 65. 637 -7. 268 30. 035 1. 00 51. 93 atoms 3385 CD GLU 437 65. 701 -7. 312 31. 563 1. 00 56. 66 atoms 3386 OE1 GLU 437 65. 318 -6. 303 32. 208 1. 00 56. 30 atoms 3387 OE2 GLU 437 66. 128 -8. 355 32. 117 1. 00 50. 71 atoms 3388 C GLU 437 62. 733 -5. 103 28. 553 1. 00 45. 05 atom 3389 O GLU 437 63. 433 -4. 196 28. 096 1. 00 40. 40 atoms 3390 N GLN 438 61. 422 -5. 206 28. 316 1. 00 44. 81 atoms 3391 CA GLN 438 60. 671 -4. 273 27. 467 1. 00 44. 57 atoms 3392 CB GLN 438 59. 854 -5. 054 26. 427 1. 00 43. 31 atoms 3393 CG GLN 438 60. 666 -5. 719 25. 329 1. 00 41. 52 atoms 3394 CD GLN 438 61. 618 -4. 766 24. 653 1. 00 39. 73 atoms 3395 OE1 GLN 438 61. 417 -3. 560 24. 682 1. 00 39. 88 atoms 3396 NE2 GLN 438 62. 669 -5. 304 24. 040 1. 00 40. 97 atoms 3397 C GLN 438 59. 709 -3. 302 28. 191 1. 00 44. 17 atoms 3398 O GLN 438 59. 284 -2. 309 27. 600 1. 00 47. 18 atoms 3399 N LEU 439 59. 358 -3. 591 29. 443 1. 00 39. 41 atoms 3400 CA LEU 439 58. 437 -2. 757 30. 234 1. 00 35. 63 atoms 3401 CB LEU 439 58. 619 -3. 047 31. 725 1. 00 36. 65 atoms 3402 CG LEU 439 57. 675 -3. 977 32. 484 1. 00 35. 38 atoms 3403 CD1 LEU 439 56. 661 -4. 630 31. 580 1. 00 37. 24 atoms 3404 CD2 LEU 439 58. 520 -5. 014 33. 152 1. 00 35. 93 atoms 3405 C LEU 439 58. 533 -1. 240 30. 046 1. 00 34. 88 atoms 3406 O LEU 439 57. 513 -0. 533 30. 050 1. 00 31. 04 atom 3407 N GLU 440 59. 752 -0. 732 29. 900 1. 00 31. 23 atoms 3408 CA GLU 440 59. 929 0. 700 29. 749 1. 00 34. 08 atom 3409 CB GLU 440 61. 203 1. 137 30. 471 1. 00 36. 60 atoms 3410 CG GLU 440 61. 344 0. 546 31. 869 1. 00 46. 25 atoms 3411 CD GLU 440 62. 326 -0. 619 31. 917 1. 00 51. 65 atoms 3412 OE1 GLU 440 62. 004 -1. 705 31. 381 1. 00 55. 45 atoms 3413 OE2 GLU 440 63. 425 -0. 451 32. 489 1. 00 56. 28 atoms 3414 C GLU 440 59. 933 1. 195 28. 297 1. 00 33. 24 atoms 3415 O GLU 440 60. 157 2. 383 28. 047 1. 00 32. 66 atoms 3416 N LYS 441 59. 674 0. 288 27. 357 1. 00 29. 40 atoms 3417 CA LYS 441 59. 625 0. 618 25. 933 1. 00 32. 91 atoms 3418 CB LYS 441 60. 021 -0. 616 25. 097 1. 00 35. 80 atoms 3419 CG LYS 441 59. 636 -0. 582 23. 593 1. 00 44. 21 atoms 3420 CD LYS 441 59. 066 -1. 942 23. 090 1. 00 43. 76 atoms 3421 CE LYS 441 59. 752 -2. 436 21. 800 1. 00 42. 14 atoms 3422 NZ LYS 441 59. 679 -3. 931 21. 557 1. 00 32. 91 atoms 3423 C LYS 441 58. 202 1. 057 25. 586 1. 00 32. 30 atoms 3424 O LYS 441 57. 277 0. 247 25. 575 1. 00 34. 79 atoms 3425 N ALA 442 58. 011 2. 341 25. 328 1. 00 32. 09 atom 3426 CA ALA 442 56. 679 2. 814 24. 988 1. 00 34. 73 atoms 3427 CB ALA 442 56. 654 4. 321 24. 923 1. 00 34. 99 atoms 3428 C ALA 442 56. 272 2. 233 23. 646 1. 00 35. 06 atom 3429 O ALA 442 57. 004 2. 353 22. 667 1. 00 34. 73 atoms 3430 N LEU 443 55. 107 1. 597 23. 612 1. 00 34. 80 atoms 3431 CA LEU 443 54. 583 1. 006 22. 388 1. 00 32. 57 atoms 3432 CB LEU 443 54. 064 -0. 403 22. 665 1. 00 32. 82 atoms 3433 CG LEU 443 54. 984 -1. 291 23. 493 1. 00 31. 23 atoms 3434 CD1 LEU 443 54. 192 -2. 002 24. 599 1. 00 29. 05 atom 3435 CD2 LEU 443 55. 669 -2. 279 22. 557 1. 00 27. 43 atoms 3436 C LEU 443 53. 444 1. 873 21. 859 1. 00 33. 71 atoms 3437 O LEU 443 52. 839 2. 644 22. 602 1. 00 32. 92 atoms 3438 N ASP 444 53. 166 1. 754 20. 569 1. 00 34. 97 atoms 3439 CA ASP 444 52. 098 2. 517 19. 940 1. 00 34. 69 atoms 3440 CB ASP 444 52. 472 2. 874 18. 505 1. 00 35. 84 atoms 3441 CG ASP 444 53. 339 4. 102 18. 421 1. 00 40. 11 atom 3442 OD1 ASP 444 53. 370 4. 882 19. 394 1. 00 47. 24 atoms 3443 OD2 ASP 444 53. 996 4. 295 17. 382 1. 00 43. 96 atoms 3444 C ASP 444 50. 868 1. 635 19. 921 1. 00 36. 94 atoms 3445 O ASP 444 50. 976 0. 412 19. 918 1. 00 42. 96 atoms 3446 N CYS 445 49. 700 2. 255 19. 911 1. 00 35. 62 atoms 3447 CA CYS 445 48. 446 1. 530 19. 876 1. 00 32. 06 atom 3448 CB CYS 445 48. 165 0. 899 21. 244 1. 00 31. 49 atoms 3449 SG CYS 445 47. 942 2. 070 22. 618 1. 00 32. 37 atoms 3450 C CYS 445 47. 427 2. 596 19. 526 1. 00 34. 19 atoms 3451 O CYS 445 47. 747 3. 783 19. 552 1. 00 36. 00 atom 3452 N GLN 446 46. 208 2. 210 19. 189 1. 00 38. 21 atoms 3453 CA GLN 446 45. 232 3. 232 18. 843 1. 00 40. 12 atoms 3454 CB GLN 446 44. 836 3. 088 17. 375 1. 00 43. 49 atoms 3455 CG GLN 446 44. 134 1. 781 17. 046 1. 00 52. 73 atoms 3456 CD GLN 446 43. 416 1. 812 15. 698 1. 00 53. 41 atom 3457 OE1 GLN 446 42. 751 2. 793 15. 356 1. 00 52. 33 atom 3458 NE2 GLN 446 43. 547 0. 729 14. 931 1. 00 52. 81 atoms 3459 C GLN 446 43. 984 3. 293 19. 738 1. 00 38. 91 atoms 3460 O GLN 446 43. 387 2. 275 20. 087 1. 00 37. 38 atoms 3461 N ILE 447 43. 621 4. 514 20. 115 1. 00 35. 95 atoms 3462 CA ILE 447 42. 458 4. 779 20. 950 1. 00 35. 14 atoms 3463 CB ILE 447 42. 826 5. 654 22. 194 1. 00 35. 06 Atom 3464 CG2 ILE 447 41. 566 6. 057 22. 954 1. 00 28. 93 atoms 3465 CG1 ILE 447 43. 773 4. 894 23. 124 1. 00 35. 72 atoms 3466 CD1 ILE 447 44. 576 5. 816 24. 017 1. 00 35. 52 atoms 3467 C ILE 447 41. 499 5. 578 20. 071 1. 00 36. 57 atoms 3468 O ILE 447 41. 780 6. 736 19. 729 1. 00 37. 05 atom 3469 N TYR 448 40. 380 4. 969 19. 687 1. 00 32. 88 atoms 3470 CA TYR 448 39. 405 5. 666 18. 850 1. 00 29. 32 atoms 3471 CB TYR 448 38. 867 6. 903 19. 574 1. 00 30. 94 atoms 3472 CG TYR 448 37. 916 6. 619 20. 725 1. 00 35. 92 atoms 3473 CD1 TYR 448 37. 379 7. 668 21. 478 1. 00 34. 37 atoms 3474 CE1 TYR 448 36. 485 7. 425 22. 517 1. 00 32. 55 atoms 3475 CD2 TYR 448 37. 529 5. 308 21. 049 1. 00 33. 84 atoms 3476 CE2 TYR 448 36. 634 5. 058 22. 090 1. 00 32. 27 atoms 3477 CZ TYR 448 36. 118 6. 124 22. 819 1. 00 33. 86 atoms 3478 OH TYR 448 35. 242 5. 899 23. 863 1. 00 34. 45 atoms 3479 C TYR 448 39. 994 6. 105 17. 513 1. 00 26. 03 atom 3480 O TYR 448 39. 660 7. 168 17. 007 1. 00 25. 23 atoms 3481 N GLY 449 40. 892 5. 303 16. 955 1. 00 25. 14 atoms 3482 CA GLY 449 41. 467 5. 646 15. 665 1. 00 30. 15 atoms 3483 C GLY 449 42. 817 6. 336 15. 692 1. 00 29. 86 atoms 3484 O GLY 449 43. 684 6. 062 14. 857 1. 00 31. 59 atoms 3485 N ALA 450 42. 993 7. 258 16. 626 1. 00 30. 00 atom 3486 CA ALA 450 44. 265 7. 942 16. 740 1. 00 27. 32 atoms 3487 CB ALA 450 44. 132 9. 207 17. 585 1. 00 29. 76 atoms 3488 C ALA 450 45. 190 6. 951 17. 423 1. 00 27. 92 atoms 3489 O ALA 450 44. 768 6. 122 18. 240 1. 00 21. 53 atoms 3490 N CYS 451 46. 456 7. 022 17. 057 1. 00 29. 64 atoms 3491 CA CYS 451 47. 436 6. 141 17. 640 1. 00 33. 17 atoms 3492 CB CYS 451 48. 345 5. 611 16. 524 1. 00 27. 89 atoms 3493 SG CYS 451 50. 112 5. 858 16. 743 1. 00 35. 52 atoms 3494 C CYS 451 48. 185 6. 956 18. 720 1. 00 31. 89 atoms 3495 O CYS 451 48. 393 8. 168 18. 586 1. 00 29. 04 atom 3496 N TYR 452 48. 539 6. 309 19. 821 1. 00 31. 86 atoms 3497 CA TYR 452 49. 242 7. 028 20. 878 1. 00 35. 81 atoms 3498 CB TYR 452 48. 324 7. 220 22. 095 1. 00 34. 55 atoms 3499 CG TYR 452 47. 172 8. 175 21. 868 1. 00 35. 92 atoms 3500 CD1 TYR 452 45. 941 7. 719 21. 381 1. 00 39. 87 atoms 3501 CE1 TYR 452 44. 862 8. 594 21. 203 1. 00 37. 75 atoms 3502 CD2 TYR 452 47. 298 9. 526 22. 161 1. 00 35. 65 atoms 3503 CE2 TYR 452 46. 230 10. 403 21. 987 1. 00 39. 32 atoms 3504 CZ TYR 452 45. 021 9. 935 21. 509 1. 00 38. 29 atoms 3505 OH TYR 452 43. 981 10. 820 21. 357 1. 00 44. 55 atoms 3506 C TYR 452 50. 531 6. 336 21. 319 1. 00 35. 46 atoms 3507 O TYR 452 50. 795 5. 173 20. 975 1. 00 34. 31 atom 3508 N SER 453 51. 339 7. 067 22. 074 1. 00 34. 30 atoms 3509 CA SER 453 52. 563 6. 500 22. 581 1. 00 38. 03 atom 3510 CB SER 453 53. 733 7. 413 22. 256 1. 00 41. 05 atom 3511 OG SER 453 54. 223 7. 101 20. 955 1. 00 47. 23 atoms 3512 C SER 453 52. 405 6. 315 24. 078 1. 00 35. 40 atoms 3513 O SER 453 52. 534 7. 261 24. 846 1. 00 35. 22 atoms 3514 N ILE 454 52. 109 5. 084 24. 476 1. 00 33. 48 atoms 3515 CA ILE 454 51. 903 4. 767 25. 877 1. 00 36. 42 atoms 3516 CB ILE 454 50. 510 4. 148 26. 088 1. 00 36. 41 atom 3517 CG2 ILE 454 50. 079 4. 305 27. 540 1. 00 33. 83 atoms 3518 CG1 ILE 454 49. 514 4. 827 25. 157 1. 00 35. 30 atoms 3519 CD1 ILE 454 48. 079 4. 660 25. 578 1. 00 44. 75 atoms 3520 C ILE 454 52. 938 3. 818 26. 461 1. 00 37. 22 atoms 3521 O ILE 454 53. 294 2. 806 25. 854 1. 00 38. 43 atoms 3522 N GLU 455 53. 417 4. 153 27. 654 1. 00 38. 85 atoms 3523 CA GLU 455 54. 386 3. 317 28. 343 1. 00 37. 89 atoms 3524 CB GLU 455 55. 300 4. 174 29. 215 1. 00 44. 07 atom 3525 CG GLU 455 56. 360 3. 369 29. 960 1. 00 54. 04 atom 3526 CD GLU 455 57. 480 4. 247 30. 509 1. 00 61. 38 atoms 3527 OE1 GLU 455 57. 521 5. 453 30. 145 1. 00 60. 82 atoms 3528 OE2 GLU 455 58. 313 3. 730 31. 300 1. 00 58. 53 atoms 3529 C GLU 455 53. 602 2. 351 29. 216 1. 00 33. 96 atoms 3530 O GLU 455 52. 775 2. 765 30. 026 1. 00 31. 59 atoms 3531 N PRO 456 53. 844 1. 045 29. 061 1. 00 32. 69 atoms 3532 CD PRO 456 54. 779 0. 431 28. 107 1. 00 31. 89 atoms 3533 CA PRO 456 53. 117 0. 056 29. 870 1. 00 34. 87 atoms 3534 CB PRO 456 53. 615 -1. 300 29. 346 1. 00 31. 61 atoms 3535 CG PRO 456 54. 819 -1. 005 28. 540 1. 00 31. 68 atoms 3536 C PRO 456 53. 241 0. 186 31. 404 1. 00 35. 06 atom 3537 O PRO 456 52. 373 -0. 286 32. 150 1. 00 35. 96 atoms 3538 N LEU 457 54. 302 0. 826 31. 880 1. 00 31. 41 atom 3539 CA LEU 457 54. 464 0. 990 33. 318 1. 00 31. 83 atoms 3540 CB LEU 457 55. 936 1. 214 33. 668 1. 00 21. 51 atom 3541 CG LEU 457 56. 746 -0. 081 33. 628 1. 00 22. 27 atoms 3542 CD1 LEU 457 58. 182 0. 232 33. 223 1. 00 18. 61 atoms 3543 CD2 LEU 457 56. 697 -0. 781 34. 997 1. 00 22. 63 atoms 3544 C LEU 457 53. 603 2. 147 33. 841 1. 00 33. 12 atoms 3545 O LEU 457 53. 574 2. 425 35. 046 1. 00 36. 08 atom 3546 N ASP 458 52. 899 2. 812 32. 932 1. 00 33. 35 atom 3547 CA ASP 458 52. 026 3. 920 33. 306 1. 00 31. 48 atoms 3548 CB ASP 458 52. 074 5. 004 32. 219 1. 00 31. 92 atoms 3549 CG ASP 458 53. 235 5. 977 32. 401 1. 00 35. 20 atoms 3550 OD1 ASP 458 53. 988 5. 831 33. 385 1. 00 40. 06 Atom 3551 OD2 ASP 458 53. 398 6. 891 31. 562 1. 00 32. 72 atoms 3552 C ASP 458 50. 579 3. 402 33. 492 1. 00 30. 57 atoms 3553 O ASP 458 49. 716 4. 104 34. 020 1. 00 29. 93 atoms 3554 N LEU 459 50. 337 2. 160 33. 079 1. 00 29. 54 atoms 3555 CA LEU 459 49. 011 1. 552 33. 172 1. 00 32. 41 atoms 3556 CB LEU 459 49. 097 0. 036 32. 962 1. 00 31. 91 atoms 3557 CG LEU 459 48. 435 -0. 559 31. 712 1. 00 31. 59 atoms 3558 CD1 LEU 459 47. 692 0. 510 30. 923 1. 00 30. 88 atoms 3559 CD2 LEU 459 49. 508 -1. 226 30. 839 1. 00 33. 41 atoms 3560 C LEU 459 48. 187 1. 837 34. 422 1. 00 31. 36 atoms 3561 O LEU 459 47. 092 2. 379 34. 314 1. 00 35. 42 atoms 3562 N PRO 460 48. 680 1. 471 35. 618 1. 00 31. 69 atoms 3563 CD PRO 460 49. 948 0. 798 35. 949 1. 00 37. 70 atoms 3564 CA PRO 460 47. 893 1. 742 36. 824 1. 00 31. 94 atoms 3565 CB PRO 460 48. 867 1. 443 37. 961 1. 00 34. 04 Atomic 3566 CG PRO 460 49. 768 0. 421 37. 403 1. 00 34. 31 atoms 3567 C PRO 460 47. 370 3. 172 36. 869 1. 00 31. 06 Atomic 3568 O PRO 460 46. 207 3. 404 37. 171 1. 00 32. 13 atoms 3569 N GLN 461 48. 240 4. 122 36. 559 1. 00 34. 11 atoms 3570 CA GLN 461 47. 877 5. 542 36. 539 1. 00 38. 17 atoms 3571 CB GLN 461 49. 088 6. 398 36. 121 1. 00 38. 18 atoms 3572 CG GLN 461 50. 311 6. 252 37. 023 1. 00 42. 90 atoms 3573 CD GLN 461 51. 124 5. 006 36. 725 1. 00 46. 75 atoms 3574 OE1 GLN 461 50. 761 3. 892 37. 128 1. 00 47. 13 atoms 3575 NE2 GLN 461 52. 237 5. 186 36. 018 1. 00 48. 03 atom 3576 C GLN 461 46. 734 5. 780 35. 549 1. 00 34. 45 atoms 3577 O GLN 461 45. 742 6. 418 35. 873 1. 00 33. 29 atoms 3578 N ILE 462 46. 894 5. 256 34. 340 1. 00 30. 87 atoms 3579 CA ILE 462 45. 895 5. 408 33. 289 1. 00 28. 05 atom 3580 CB ILE 462 46. 406 4. 806 31. 963 1. 00 28. 23 atoms 3581 CG2 ILE 462 45. 305 4. 784 30. 928 1. 00 21. 36 atoms 3582 CG1 ILE 462 47. 603 5. 621 31. 466 1. 00 28. 26 atoms 3583 CD1 ILE 462 48. 241 5. 073 30. 227 1. 00 30. 74 atoms 3584 C ILE 462 44. 607 4. 712 33. 688 1. 00 27. 56 atoms 3585 O ILE 462 43. 534 5. 332 33. 726 1. 00 27. 06 atom 3586 N ILE 463 44. 725 3. 424 33. 996 1. 00 22. 72 atoms 3587 CA ILE 463 43. 574 2. 636 34. 400 1. 00 20. 93 atoms 3588 CB ILE 463 44. 003 1. 216 34. 896 1. 00 21. 25 atoms 3589 CG2 ILE 463 42. 817 0. 479 35. 517 1. 00 18. 27 atoms 3590 CG1 ILE 463 44. 537 0. 396 33. 715 1. 00 16. 48 atoms 3591 CD1 ILE 463 45. 126 -0. 924 34. 099 1. 00 9. 67 atoms 3592 C ILE 463 42. 758 3. 351 35. 480 1. 00 19. 90 atoms 3593 O ILE 463 41. 537 3. 416 35. 375 1. 00 22. 61 atoms 3594 N GLU 464 43. 418 3. 903 36. 497 1. 00 22. 67 atoms 3595 CA GLU 464 42. 710 4. 592 37. 581 1. 00 23. 09 atom 3596 CB GLU 464 43. 654 4. 981 38. 726 1. 00 22. 31 atom 3597 CG GLU 464 42. 882 5. 206 40. 033 1. 00 24. 89 atoms 3598 CD GLU 464 43. 508 6. 229 40. 954 1. 00 22. 17 atoms 3599 OE1 GLU 464 43. 109 7. 406 40. 905 1. 00 31. 72 atoms 3600 OE2 GLU 464 44. 390 5. 865 41. 738 1. 00 16. 70 atoms 3601 C GLU 464 41. 959 5. 840 37. 132 1. 00 25. 17 atoms 3602 O GLU 464 40. 845 6. 102 37. 610 1. 00 21. 06 Atomic 3603 N ARG 465 42. 562 6. 609 36. 225 1. 00 24. 41 atoms 3604 CA ARG 465 41. 920 7. 818 35. 729 1. 00 25. 52 atoms 3605 CB ARG 465 42. 908 8. 681 34. 943 1. 00 31. 25 atoms 3606 CG ARG 465 43. 219 10. 019 35. 642 1. 00 39. 07 atom 3607 CD ARG 465 42. 685 11. 216 34. 860 1. 00 43. 22 atoms 3608 NE ARG 465 43. 641 12. 326 34. 767 1. 00 47. 82 atoms 3609 CZ ARG 465 44. 942 12. 198 34. 504 1. 00 50. 16 atoms 3610 NH1 ARG 465 45. 481 11. 002 34. 303 1. 00 51. 31 atoms 3611 NH2 ARG 465 45. 711 13. 276 34. 421 1. 00 50. 41 atoms 3612 C ARG 465 40. 700 7. 524 34. 864 1. 00 22. 97 atoms 3613 O ARG 465 39. 681 8. 210 34. 986 1. 00 17. 94 atoms 3614 N LEU 466 40. 800 6. 486 34. 031 1. 00 19. 59 atoms 3615 CA LEU 466 39. 729 6. 087 33. 122 1. 00 24. 29 atoms 3616 CB LEU 466 40. 314 5. 360 31. 904 1. 00 22. 68 atoms 3617 CG LEU 466 41. 009 6. 289 30. 905 1. 00 31. 93 atoms 3618 CD1 LEU 466 41. 374 5. 545 29. 624 1. 00 31. 87 atoms 3619 CD2 LEU 466 40. 074 7. 457 30. 599 1. 00 36. 14 atoms 3620 C LEU 466 38. 609 5. 227 33. 692 1. 00 27. 95 atoms 3621 O LEU 466 37. 461 5. 286 33. 219 1. 00 30. 02 atom 3622 N HIS 467 38. 923 4. 420 34. 693 1. 00 26. 38 atoms 3623 CA HIS 467 37. 901 3. 554 35. 240 1. 00 28. 67 atoms 3624 CB HIS 467 38. 215 2. 094 34. 905 1. 00 28. 83 atoms 3625 CG HIS 467 38. 546 1. 853 33. 465 1. 00 28. 42 atoms 3626 CD2 HIS 467 39. 716 1. 958 32. 789 1. 00 28. 48 atoms 3627 ND1 HIS 467 37. 620 1. 385 32. 557 1. 00 29. 37 atoms 3628 CE1 HIS 467 38. 205 1. 209 31. 386 1. 00 23. 72 atoms 3629 NE2 HIS 467 39. 478 1. 549 31. 501 1. 00 26. 25 atoms 3630 C HIS 467 37. 681 3. 673 36. 734 1. 00 28. 76 atoms 3631 O HIS 467 36. 669 3. 188 37. 246 1. 00 31. 17 atoms 3632 N GLY 468 38. 611 4. 313 37. 435 1. 00 27. 32 atoms 3633 CA GLY 468 38. 475 4. 421 38. 875 1. 00 24. 96 atoms 3634 C GLY 468 39. 180 3. 265 39. 570 1. 00 26. 11 atoms 3635 O GLY 468 39. 347 2. 187 38. 992 1. 00 20. 04 atom 3636 N LEU 469 39. 604 3. 504 40. 810 1. 00 28. 32 atoms 3637 CA LEU 469 40. 303 2. 506 41. 619 1. 00 31. 09 atom 3638 CB LEU 469 40. 497 3. 027 43. 050 1. 00 34. 04 atom 3639 CG LEU 469 41. 631 2. 433 43. 893 1. 00 33. 39 atoms 3640 CD1 LEU 469 42. 976 2. 827 43. 310 1. 00 29. 13 atoms 3641 CD2 LEU 469 41. 509 2. 939 45. 332 1. 00 36. 67 atoms 3642 C LEU 469 39. 572 1. 177 41. 669 1. 00 30. 69 atoms 3643 O LEU 469 40. 203 0. 121 41. 757 1. 00 32. 77 atoms 3644 N SER 470 38. 243 1. 240 41. 617 1. 00 28. 25 atoms 3645 CA SER 470 37. 399 0. 050 41. 658 1. 00 26. 30 atoms 3646 CB SER 470 35. 967 0. 416 41. 294 1. 00 29. 68 atoms 3647 OG SER 470 35. 871 0. 665 39. 903 1. 00 32. 61 atoms 3648 C SER 470 37. 896 -0. 988 40. 677 1. 00 26. 83 atoms 3649 O SER 470 37. 786 -2. 187 40. 908 1. 00 29. 66 atoms 3650 N ALA 471 38. 433 -0. 501 39. 569 1. 00 27. 16 atoms 3651 CA ALA 471 38. 957 -1. 346 38. 518 1. 00 25. 29 atoms 3652 CB ALA 471 39. 607 -0. 481 37. 436 1. 00 23. 68 atoms 3653 C ALA 471 39. 970 -2. 327 39. 081 1. 00 24. 06 Atomic 3654 O ALA 471 40. 142 -3. 416 38. 556 1. 00 21. 95 atoms 3655 N PHE 472 40. 648 -1. 940 40. 151 1. 00 22. 90 atoms 3656 CA PHE 472 41. 631 -2. 831 40. 745 1. 00 22. 67 atoms 3657 CB PHE 472 42. 758 -2. 010 41. 375 1. 00 21. 44 atoms 3658 CG PHE 472 43. 412 -1. 035 40. 424 1. 00 22. 73 atoms 3659 CD1 PHE 472 43. 519 0. 321 40. 750 1. 00 25. 96 atoms 3660 CD2 PHE 472 43. 936 -1. 467 39. 207 1. 00 22. 57 atoms 3661 CE1 PHE 472 44. 145 1. 241 39. 863 1. 00 24. 45 atoms 3662 CE2 PHE 472 44. 567 -0. 560 38. 312 1. 00 19. 58 atoms 3663 CZ PHE 472 44. 668 0. 791 38. 642 1. 00 18. 43 atoms 3664 C PHE 472 41. 045 -3. 806 41. 780 1. 00 19. 61 atoms 3665 O PHE 472 41. 796 -4. 509 42. 433 1. 00 20. 06 atom 3666 N SER 473 39. 717 -3. 887 41. 889 1. 00 17. 33 atoms 3667 CA SER 473 39. 087 -4. 771 42. 864 1. 00 19. 26 atoms 3668 CB SER 473 38. 894 -4. 015 44. 182 1. 00 15. 31 atom 3669 OG SER 473 39. 568 -2. 768 44. 152 1. 00 22. 47 atoms 3670 C SER 473 37. 747 -5. 447 42. 501 1. 00 24. 97 atoms 3671 O SER 473 37. 088 -6. 025 43. 390 1. 00 26. 79 atoms 3672 N LEU 474 37. 322 -5. 384 41. 239 1. 00 19. 87 atoms 3673 CA LEU 474 36. 064 -6. 032 40. 853 1. 00 17. 55 atoms 3674 CB LEU 474 35. 741 -5. 734 39. 398 1. 00 16. 67 atoms 3675 CG LEU 474 35. 419 -4. 253 39. 139 1. 00 19. 81 atoms 3676 CD1 LEU 474 35. 037 -4. 078 37. 684 1. 00 16. 66 atoms 3677 CD2 LEU 474 34. 284 -3. 777 40. 027 1. 00 19. 28 atoms 3678 C LEU 474 36. 195 -7. 544 41. 097 1. 00 16. 76 atoms 3679 O LEU 474 37. 261 -8. 115 40. 867 1. 00 14. 80 atoms 3680 N HIS 475 35. 122 -8. 183 41. 577 1. 00 17. 09 atom 3681 CA HIS 475 35. 189 -9. 595 41. 917 1. 00 20. 48 atoms 3682 CB HIS 475 35. 651 -9. 737 43. 382 1. 00 23. 75 atoms 3683 CG HIS 475 34. 738 -9. 069 44. 373 1. 00 23. 68 atoms 3684 CD2 HIS 475 34. 748 -7. 811 44. 893 1. 00 23. 89 atoms 3685 ND1 HIS 475 33. 598 -9. 668 44. 857 1. 00 15. 87 atoms 3686 CE1 HIS 475 32. 939 -8. 815 45. 623 1. 00 18. 64 atoms 3687 NE2 HIS 475 33. 619 -7. 680 45. 660 1. 00 17. 92 atoms 3688 C HIS 475 33. 972 -10. 490 41. 703 1. 00 23. 35 atoms 3689 O HIS 475 34. 113 -11. 667 41. 395 1. 00 32. 81 atoms 3690 N SER 476 32. 772 -9. 986 41. 864 1. 00 23. 75 atoms 3691 CA SER 476 31. 647 -10. 896 41. 683 1. 00 25. 31 atom 3692 CB SER 476 30. 632 -10. 674 42. 808 1. 00 25. 03 atom 3693 OG SER 476 31. 256 -10. 944 44. 047 1. 00 25. 05 atom 3694 C SER 476 31. 016 -10. 707 40. 311 1. 00 26. 91 atoms 3695 O SER 476 29. 891 -10. 203 40. 189 1. 00 21. 63 atoms 3696 N TYR 477 31. 774 -11. 114 39. 287 1. 00 27. 12 atoms 3697 CA TYR 477 31. 382 -10. 999 37. 888 1. 00 20. 57 atoms 3698 CB TYR 477 32. 517 -11. 476 36. 980 1. 00 19. 34 atoms 3699 CG TYR 477 33. 662 -10. 492 36. 852 1. 00 18. 80 atoms 3700 CD1 TYR 477 34. 885 -10. 722 37. 514 1. 00 19. 07 atom 3701 CE1 TYR 477 35. 955 -9. 831 37. 400 1. 00 13. 98 atoms 3702 CD2 TYR 477 33. 541 -9. 339 36. 067 1. 00 13. 86 atoms 3703 CE2 TYR 477 34. 615 -8. 434 35. 942 1. 00 13. 49 atoms 3704 CZ TYR 477 35. 817 -8. 689 36. 612 1. 00 16. 89 atoms 3705 OH TYR 477 36. 878 -7. 817 36. 501 1. 00 14. 53 atoms 3706 C TYR 477 30. 126 -11. 777 37. 577 1. 00 21. 86 atoms 3707 O TYR 477 29. 913 -12. 852 38. 113 1. 00 16. 61 atom 3708 N SER 478 29. 304 -11. 219 36. 686 1. 00 25. 77 atoms 3709 CA SER 478 28. 030 -11. 820 36. 285 1. 00 27. 29 atoms 3710 CB SER 478 27. 289 -10. 875 35. 339 1. 00 28. 80 atoms 3711 OG SER 478 27. 483 -9. 522 35. 731 1. 00 40. 31 atom 3712 C SER 478 28. 165 -13. 186 35. 628 1. 00 27. 44 atoms 3713 O SER 478 29. 099 -13. 423 34. 876 1. 00 31. 57 atoms 3714 N PRO 479 27. 229 -14. 109 35. 910 1. 00 25. 94 atoms 3715 CD PRO 479 26. 087 -13. 974 36. 828 1. 00 22. 83 atoms 3716 CA PRO 479 27. 286 -15. 450 35. 314 1. 00 21. 99 atoms 3717 CB PRO 479 26. 038 -16. 131 35. 859 1. 00 21. 63 atoms 3718 CG PRO 479 25. 779 -15. 415 37. 166 1. 00 24. 95 atoms 3719 C PRO 479 27. 302 -15. 373 33. 790 1. 00 22. 09 atom 3720 O PRO 479 27. 898 -16. 206 33. 104 1. 00 16. 28 atoms 3721 N GLY 480 26. 642 -14. 362 33. 253 1. 00 25. 56 atoms 3722 CA GLY 480 26. 652 -14. 222 31. 808 1. 00 30. 51 atoms 3723 C GLY 480 28. 071 -13. 966 31. 315 1. 00 29. 37 atoms 3724 O GLY 480 28. 544 -14. 612 30. 382 1. 00 32. 55 atoms 3725 N GLU 481 28. 757 -13. 031 31. 971 1. 00 28. 12 atoms 3726 CA GLU 481 30. 112 -12. 654 31. 609 1. 00 23. 84 atoms 3727 CB GLU 481 30. 521 -11. 414 32. 406 1. 00 20. 37 atoms 3728 CG GLU 481 31. 903 -10. 903 32. 070 1. 00 21. 27 atoms 3729 CD GLU 481 31. 929 -10. 215 30. 731 1. 00 19. 94 atoms 3730 OE1 GLU 481 30. 873 -10. 180 30. 074 1. 00 20. 91 atoms 3731 OE2 GLU 481 32. 994 -9. 713 30. 343 1. 00 14. 84 atoms 3732 C GLU 481 31. 123 -13. 782 31. 811 1. 00 23. 04 atom 3733 O GLU 481 31. 966 -14. 028 30. 958 1. 00 25. 54 atoms 3734 N ILE 482 31. 040 -14. 470 32. 937 1. 00 23. 36 atoms 3735 CA ILE 482 31. 963 -15. 565 33. 220 1. 00 22. 76 atoms 3736 CB ILE 482 31. 638 -16. 214 34. 601 1. 00 19. 81 atoms 3737 CG2 ILE 482 32. 395 -17. 523 34. 778 1. 00 15. 83 atoms 3738 CG1 ILE 482 32. 010 -15. 250 35. 739 1. 00 23. 83 atoms 3739 CD1 ILE 482 31. 125 -15. 395 36. 991 1. 00 10. 56 atoms 3740 C ILE 482 31. 881 -16. 636 32. 132 1. 00 22. 80 atoms 3741 O ILE 482 32. 896 -17. 185 31. 692 1. 00 19. 29 atoms 3742 N ASN 483 30. 659 -16. 923 31. 699 1. 00 24. 99 atoms 3743 CA ASN 483 30. 435 -17. 945 30. 698 1. 00 26. 00 atom 3744 CB ASN 483 28. 969 -18. 345 30. 716 1. 00 28. 37 atoms 3745 CG ASN 483 28. 590 -19. 073 32. 002 1. 00 31. 91 atoms 3746 OD1 ASN 483 27. 471 -18. 946 32. 500 1. 00 30. 31 atom 3747 ND2 ASN 483 29. 530 -19. 841 32. 542 1. 00 29. 92 atoms 3748 C ASN 483 30. 877 -17. 563 29. 300 1. 00 26. 60 atoms 3749 O ASN 483 31. 177 -18. 434 28. 497 1. 00 30. 66 atoms 3750 N ARG 484 30. 902 -16. 271 28. 997 1. 00 27. 04 atom 3751 CA ARG 484 31. 363 -15. 830 27. 687 1. 00 27. 37 atoms 3752 CB ARG 484 31. 201 -14. 317 27. 520 1. 00 26. 13 atoms 3753 CG ARG 484 30. 361 -13. 921 26. 325 1. 00 21. 21 atom 3754 CD ARG 484 30. 981 -12. 821 25. 556 1. 00 17. 82 atoms 3755 NE ARG 484 31. 222 -11. 629 26. 361 1. 00 19. 84 atoms 3756 CZ ARG 484 30. 484 -10. 531 26. 282 1. 00 18. 20 atoms 3757 NH1 ARG 484 29. 462 -10. 472 25. 447 1. 00 22. 95 atoms 3758 NH2 ARG 484 30. 792 -9. 477 27. 005 1. 00 17. 83 atoms 3759 C ARG 484 32. 841 -16. 174 27. 637 1. 00 26. 63 atoms 3760 O ARG 484 33. 268 -17. 021 26. 861 1. 00 27. 51 atoms 3761 N VAL 485 33. 612 -15. 507 28. 491 1. 00 25. 94 atoms 3762 CA VAL 485 35. 048 -15. 721 28. 581 1. 00 20. 15 atoms 3763 CB VAL 485 35. 633 -15. 070 29. 836 1. 00 21. 83 atoms 3764 CG1 VAL 485 37. 121 -15. 461 29. 970 1. 00 13. 97 atoms 3765 CG2 VAL 485 35. 419 -13. 566 29. 793 1. 00 7. 66 atoms 3766 C VAL 485 35. 399 -17. 191 28. 660 1. 00 19. 86 atoms 3767 O VAL 485 36. 117 -17. 710 27. 815 1. 00 21. 45 atoms 3768 N ALA 486 34. 900 -17. 847 29. 699 1. 00 20. 86 atoms 3769 CA ALA 486 35. 175 -19. 265 29. 928 1. 00 23. 05 atom 3770 CB ALA 486 34. 380 -19. 781 31. 157 1. 00 16. 74 atoms 3771 C ALA 486 34. 888 -20. 127 28. 704 1. 00 19. 32 atoms 3772 O ALA 486 35. 545 -21. 134 28. 492 1. 00 18. 46 atoms 3773 N SER 487 33. 898 -19. 746 27. 910 1. 00 23. 08 atom 3774 CA SER 487 33. 594 -20. 493 26. 699 1. 00 25. 52 atoms 3775 CB SER 487 32. 197 -20. 141 26. 176 1. 00 26. 82 atoms 3776 OG SER 487 31. 572 -21. 282 25. 597 1. 00 32. 23 atoms 3777 C SER 487 34. 642 -20. 132 25. 646 1. 00 23. 85 atoms 3778 O SER 487 35. 121 -20. 981 24. 903 1. 00 30. 98 atoms 3779 N CYS 488 35. 004 -18. 865 25. 584 1. 00 20. 37 atoms 3780 CA CYS 488 35. 991 -18. 441 24. 617 1. 00 21. 95 atoms 3781 CB CYS 488 36. 079 -16. 918 24. 589 1. 00 27. 12 atoms 3782 SG CYS 488 37. 671 -16. 295 23. 964 1. 00 35. 96 atoms 3783 C CYS 488 37. 374 -19. 017 24. 911 1. 00 22. 98 atoms 3784 O CYS 488 38. 218 -19. 080 24. 019 1. 00 16. 47 atoms 3785 N LEU 489 37. 629 -19. 425 26. 153 1. 00 21. 12 atoms 3786 CA LEU 489 38. 949 -19. 966 26. 456 1. 00 24. 98 atoms 3787 CB LEU 489 39. 232 -19. 926 27. 959 1. 00 23. 49 atoms 3788 CG LEU 489 39. 134 -18. 554 28. 631 1. 00 24. 48 atoms 3789 CD1 LEU 489 39. 791 -18. 618 30. 008 1. 00 27. 39 atoms 3790 CD2 LEU 489 39. 794 -17. 494 27. 765 1. 00 15. 03 atom 3791 C LEU 489 39. 055 -21. 382 25. 912 1. 00 28. 28 atoms 3792 O LEU 489 40. 080 -21. 754 25. 336 1. 00 28. 63 atoms 3793 N ARG 490 37. 987 -22. 162 26. 077 1. 00 29. 70 atoms 3794 CA ARG 490 37. 972 -23. 531 25. 559 1. 00 35. 67 atoms 3795 CB ARG 490 36. 630 -24. 241 25. 837 1. 00 34. 47 atoms 3796 CG ARG 490 35. 916 -23. 839 27. 102 1. 00 39. 26 atoms 3797 CD ARG 490 36. 649 -24. 331 28. 330 1. 00 46. 84 atoms 3798 NE ARG 490 37. 425 -25. 530 28. 036 1. 00 49. 75 atoms 3799 CZ ARG 490 38. 709 -25. 685 28. 338 1. 00 48. 63 atoms 3800 NH1 ARG 490 39. 375 -24. 709 28. 953 1. 00 50. 68 atoms 3801 NH2 ARG 490 39. 324 -26. 813 28. 015 1. 00 45. 57 atoms 3802 C ARG 490 38. 173 -23. 455 24. 042 1. 00 33. 22 atoms 3803 O ARG 490 39. 071 -24. 085 23. 488 1. 00 34. 18 atoms 3804 N LYS 491 37. 331 -22. 651 23. 396 1. 00 33. 18 atoms 3805 CA LYS 491 37. 350 -22. 469 21. 949 1. 00 30. 62 atoms 3806 CB LYS 491 36. 399 -21. 339 21. 551 1. 00 31. 61 atoms 3807 CG LYS 491 36. 178 -21. 210 20. 053 1. 00 23. 96 atoms 3808 CD LYS 491 36. 306 -19. 782 19. 606 1. 00 19. 54 atoms 3809 CE LYS 491 34. 973 -19. 080 19. 677 1. 00 17. 94 atoms 3810 NZ LYS 491 35. 126 -17. 705 20. 232 1. 00 17. 67 atoms 3811 C LYS 491 38. 722 -22. 181 21. 384 1. 00 29. 09 atom 3812 O LYS 491 39. 187 -22. 897 20. 503 1. 00 35. 24 atoms 3813 N LEU 492 39. 369 -21. 138 21. 893 1. 00 24. 34 atoms 3814 CA LEU 492 40. 679 -20. 755 21. 401 1. 00 19. 50 atoms 3815 CB LEU 492 40. 993 -19. 286 21. 743 1. 00 19. 76 atoms 3816 CG LEU 492 40. 131 -18. 223 21. 032 1. 00 21. 61 atoms 3817 CD1 LEU 492 40. 670 -16. 834 21. 255 1. 00 14. 82 atoms 3818 CD2 LEU 492 40. 088 -18. 522 19. 560 1. 00 20. 60 atoms 3819 C LEU 492 41. 763 -21. 639 21. 949 1. 00 19. 62 atoms 3820 O LEU 492 42. 872 -21. 679 21. 413 1. 00 19. 94 atoms 3821 N GLY 493 41. 447 -22. 362 23. 014 1. 00 20. 58 atoms 3822 CA GLY 493 42. 451 -23. 220 23. 615 1. 00 15. 08 atom 3823 C GLY 493 43. 358 -22. 412 24. 528 1. 00 17. 40 atoms 3824 O GLY 493 44. 549 -22. 733 24. 699 1. 00 12. 58 atoms 3825 N VAL 494 42. 811 -21. 332 25. 085 1. 00 18. 23 atoms 3826 CA VAL 494 43. 567 -20. 505 26. 029 1. 00 24. 48 atoms 3827 CB VAL 494 42. 927 -19. 093 26. 182 1. 00 25. 08 atom 3828 CG1 VAL 494 43. 639 -18. 302 27. 263 1. 00 19. 85 atoms 3829 CG2 VAL 494 43. 032 -18. 344 24. 869 1. 00 23. 44 atoms 3830 C VAL 494 43. 523 -21. 267 27. 369 1. 00 21. 96 atoms 3831 O VAL 494 42. 544 -21. 966 27. 650 1. 00 23. 77 atoms 3832 N PRO 495 44. 591 -21. 193 28. 180 1. 00 19. 53 atoms 3833 CD PRO 495 45. 876 -20. 502 27. 998 1. 00 22. 34 atoms 3834 CA PRO 495 44. 532 -21. 925 29. 452 1. 00 23. 72 atoms 3835 CB PRO 495 45. 966 -21. 847 29. 992 1. 00 22. 00 atom 3836 CG PRO 495 46. 564 -20. 672 29. 327 1. 00 22. 88 atoms 3837 C PRO 495 43. 495 -21. 359 30. 428 1. 00 24. 18 atoms 3838 O PRO 495 43. 237 -20. 166 30. 425 1. 00 26. 06 atom 3839 N PRO 496 42. 867 -22. 227 31. 253 1. 00 29. 06 Atom 3840 CD PRO 496 43. 117 -23. 682 31. 251 1. 00 29. 39 atoms 3841 CA PRO 496 41. 843 -21. 870 32. 256 1. 00 26. 64 atoms 3842 CB PRO 496 41. 639 -23. 175 33. 025 1. 00 26. 28 atoms 3843 CG PRO 496 41. 942 -24. 230 32. 014 1. 00 27. 86 atoms 3844 C PRO 496 42. 220 -20. 709 33. 191 1. 00 24. 39 atoms 3845 O PRO 496 43. 382 -20. 560 33. 560 1. 00 25. 02 atom 3846 N LEU 497 41. 235 -19. 901 33. 580 1. 00 22. 77 atoms 3847 CA LEU 497 41. 479 -18. 762 34. 476 1. 00 25. 05 atom 3848 CB LEU 497 40. 174 -18. 055 34. 832 1. 00 22. 12 atoms 3849 CG LEU 497 39. 459 -17. 316 33. 694 1. 00 24. 99 atoms 3850 CD1 LEU 497 37. 983 -17. 213 34. 013 1. 00 10. 42 atoms 3851 CD2 LEU 497 40. 089 -15. 948 33. 486 1. 00 22. 67 atoms 3852 C LEU 497 42. 171 -19. 192 35. 767 1. 00 28. 83 atoms 3853 O LEU 497 43. 112 -18. 534 36. 231 1. 00 30. 24 atoms 3854 N ARG 498 41. 709 -20. 291 36. 354 1. 00 28. 96 atoms 3855 CA ARG 498 42. 318 -20. 776 37. 585 1. 00 31. 80 atoms 3856 CB ARG 498 41. 849 -22. 192 37. 881 1. 00 33. 41 atom 3857 CG ARG 498 42. 803 -23. 240 37. 364 1. 00 36. 66 atoms 3858 CD ARG 498 42. 101 -24. 168 36. 443 1. 00 34. 50 atoms 3859 NE ARG 498 41. 020 -24. 850 37. 130 1. 00 35. 78 atoms 3860 CZ ARG 498 40. 765 -26. 148 37. 006 1. 00 41. 82 atoms 3861 NH1 ARG 498 41. 523 -26. 904 36. 215 1. 00 41. 86 atoms 3862 NH2 ARG 498 39. 751 -26. 691 37. 672 1. 00 40. 78 atoms 3863 C ARG 498 43. 829 -20. 769 37. 416 1. 00 30. 31 atom 3864 O ARG 498 44. 561 -20. 349 38. 310 1. 00 33. 99 atoms 3865 N VAL 499 44. 285 -21. 216 36. 250 1. 00 29. 25 atoms 3866 CA VAL 499 45. 712 -21. 278 35. 947 1. 00 31. 50 atoms 3867 CB VAL 499 45. 972 -22. 101 34. 640 1. 00 33. 12 atoms 3868 CG1 VAL 499 47. 390 -21. 877 34. 132 1. 00 28. 70 atoms 3869 CG2 VAL 499 45. 735 -23. 587 34. 906 1. 00 31. 44 atoms 3870 C VAL 499 46. 377 -19. 901 35. 829 1. 00 31. 96 atoms 3871 O VAL 499 47. 547 -19. 753 36. 190 1. 00 35. 00 atom 3872 N TRP 500 45. 648 -18. 901 35. 324 1. 00 31. 77 atoms 3873 CA TRP 500 46. 198 -17. 546 35. 181 1. 00 27. 36 atoms 3874 CB TRP 500 45. 277 -16. 663 34. 333 1. 00 25. 16 atoms 3875 CG TRP 500 45. 213 -17. 041 32. 882 1. 00 26. 28 atoms 3876 CD2 TRP 500 46. 174 -16. 737 31. 862 1. 00 26. 06 atom 3877 CE2 TRP 500 45. 698 -17. 303 30. 658 1. 00 27. 61 atom 3878 CE3 TRP 500 47. 386 -16. 039 31. 846 1. 00 29. 91 atoms 3879 CD1 TRP 500 44. 225 -17. 760 32. 270 1. 00 25. 36 atoms 3880 NE1 TRP 500 44. 510 -17. 921 30. 938 1. 00 25. 93 atoms 3881 CZ2 TRP 500 46. 396 -17. 200 29. 451 1. 00 30. 21 atom 3882 CZ3 TRP 500 48. 083 -15. 934 30. 645 1. 00 31. 35 atoms 3883 CH2 TRP 500 47. 583 -16. 510 29. 461 1. 00 32. 07 atom 3884 C TRP 500 46. 366 -16. 926 36. 574 1. 00 28. 41 atoms 3885 O TRP 500 47. 248 -16. 073 36. 803 1. 00 23. 28 atoms 3886 N ARG 501 45. 507 -17. 361 37. 496 1. 00 27. 19 atoms 3887 CA ARG 501 45. 556 -16. 910 38. 880 1. 00 28. 97 atoms 3888 CB ARG 501 44. 641 -17. 780 39. 747 1. 00 37. 11 atom 3889 CG ARG 501 43. 168 -17. 454 39. 655 1. 00 39. 64 atoms 3890 CD ARG 501 42. 755 -16. 596 40. 834 1. 00 51. 11 atom 3891 NE ARG 501 41. 304 -16. 451 40. 928 1. 00 56. 63 atoms 3892 CZ ARG 501 40. 664 -16. 140 42. 048 1. 00 59. 94 atoms 3893 NH1 ARG 501 41. 360 -15. 942 43. 162 1. 00 60. 33 atoms 3894 NH2 ARG 501 39. 334 -16. 048 42. 059 1. 00 58. 22 atoms 3895 C ARG 501 46. 993 -17. 084 39. 359 1. 00 28. 69 atoms 3896 O ARG 501 47. 698 -16. 119 39. 671 1. 00 26. 56 atoms 3897 N HIS 502 47. 425 -18. 339 39. 391 1. 00 25. 63 atoms 3898 CA HIS 502 48. 770 -18. 675 39. 831 1. 00 28. 17 atoms 3899 CB HIS 502 48. 879 -20. 202 40. 022 1. 00 31. 75 atoms 3900 CG HIS 502 48. 016 -20. 733 41. 133 1. 00 36. 89 atoms 3901 CD2 HIS 502 46. 691 -20. 583 41. 387 1. 00 40. 38 atoms 3902 ND1 HIS 502 48. 513 -21. 507 42. 159 1. 00 32. 91 atoms 3903 CE1 HIS 502 47. 535 -21. 809 42. 995 1. 00 34. 77 atoms 3904 NE2 HIS 502 46. 419 -21. 262 42. 550 1. 00 35. 75 atoms 3905 C HIS 502 49. 858 -18. 148 38. 888 1. 00 27. 48 atoms 3906 O HIS 502 50. 984 -17. 881 39. 306 1. 00 29. 54 atoms 3907 N ARG 503 49. 540 -17. 997 37. 612 1. 00 30. 63 atoms 3908 CA ARG 503 50. 531 -17. 470 36. 692 1. 00 29. 02 atom 3909 CB ARG 503 49. 992 -17. 498 35. 259 1. 00 29. 73 atoms 3910 CG ARG 503 50. 645 -18. 533 34. 351 1. 00 29. 98 atoms 3911 CD ARG 503 49. 619 -19. 560 33. 919 1. 00 30. 05 atom 3912 NE ARG 503 50. 134 -20. 487 32. 927 1. 00 30. 15 atoms 3913 CZ ARG 503 49. 764 -20. 485 31. 652 1. 00 33. 95 atoms 3914 NH1 ARG 503 48. 878 -19. 599 31. 222 1. 00 38. 59 atoms 3915 NH2 ARG 503 50. 262 -21. 376 30. 808 1. 00 32. 53 atoms 3916 C ARG 503 50. 807 -16. 033 37. 134 1. 00 28. 79 atoms 3917 O ARG 503 51. 964 -15. 622 37. 248 1. 00 28. 60 atoms 3918 N ALA 504 49. 732 -15. 284 37. 402 1. 00 30. 13 atoms 3919 CA ALA 504 49. 833 -13. 880 37. 832 1. 00 29. 74 atoms 3920 CB ALA 504 48. 439 -13. 224 37. 834 1. 00 28. 52 atoms 3921 C ALA 504 50. 513 -13. 701 39. 200 1. 00 26. 24 atoms 3922 O ALA 504 51. 160 -12. 681 39. 436 1. 00 27. 81 atoms 3923 N ARG 505 50. 353 -14. 676 40. 098 1. 00 28. 84 atoms 3924 CA ARG 505 50. 995 -14. 634 41. 419 1. 00 27. 37 atoms 3925 CB ARG 505 50. 813 -15. 971 42. 154 1. 00 28. 29 atoms 3926 CG ARG 505 50. 326 -15. 869 43. 598 1. 00 30. 58 atoms 3927 CD ARG 505 49. 435 -17. 057 43. 992 1. 00 28. 65 atoms 3928 NE ARG 505 48. 048 -16. 661 44. 262 1. 00 29. 11 atoms 3929 CZ ARG 505 47. 034 -17. 515 44. 419 1. 00 30. 61 atom 3930 NH1 ARG 505 47. 236 -18. 825 44. 334 1. 00 34. 91 atoms 3931 NH2 ARG 505 45. 810 -17. 065 44. 661 1. 00 32. 55 atoms 3932 C ARG 505 52. 475 -14. 410 41. 148 1. 00 26. 98 atoms 3933 O ARG 505 53. 089 -13. 495 41. 697 1. 00 29. 63 atoms 3934 N SER 506 53. 027 -15. 241 40. 265 1. 00 26. 48 atoms 3935 CA SER 506 54. 432 -15. 173 39. 884 1. 00 26. 79 atoms 3936 CB SER 506 54. 750 -16. 256 38. 866 1. 00 28. 06 atom 3937 OG SER 506 56. 006 -15. 995 38. 278 1. 00 33. 56 atoms 3938 C SER 506 54. 889 -13. 831 39. 336 1. 00 28. 42 atoms 3939 O SER 506 55. 780 -13. 212 39. 912 1. 00 36. 05 atom 3940 N VAL 507 54. 292 -13. 374 38. 234 1. 00 25. 55 atoms 3941 CA VAL 507 54. 675 -12. 090 37. 639 1. 00 20. 31 atom 3942 CB VAL 507 53. 732 -11. 674 36. 459 1. 00 24. 81 atoms 3943 CG1 VAL 507 54. 470 -10. 744 35. 515 1. 00 19. 95 atoms 3944 CG2 VAL 507 53. 214 -12. 895 35. 722 1. 00 27. 87 atoms 3945 C VAL 507 54. 659 -10. 936 38. 640 1. 00 20. 26 atoms 3946 O VAL 507 55. 573 -10. 094 38. 630 1. 00 18. 17 atoms 3947 N ARG 508 53. 619 -10. 889 39. 483 1. 00 16. 63 atoms 3948 CA ARG 508 53. 476 -9. 826 40. 486 1. 00 20. 36 atoms 3949 CB ARG 508 52. 234 -10. 048 41. 358 1. 00 22. 81 atoms 3950 CG ARG 508 52. 235 -9. 227 42. 625 1. 00 21. 60 atoms 3951 CD ARG 508 50. 998 -9. 475 43. 477 1. 00 28. 22 atoms 3952 NE ARG 508 51. 296 -9. 361 44. 911 1. 00 37. 21 atoms 3953 CZ ARG 508 50. 847 -8. 379 45. 689 1. 00 38. 38 atoms 3954 NH1 ARG 508 50. 076 -7. 423 45. 175 1. 00 46. 52 atoms 3955 NH2 ARG 508 51. 169 -8. 339 46. 972 1. 00 28. 71 atoms 3956 C ARG 508 54. 691 -9. 723 41. 383 1. 00 22. 41 atoms 3957 O ARG 508 55. 154 -8. 626 41. 671 1. 00 22. 27 atoms 3958 N ALA 509 55. 208 -10. 866 41. 829 1. 00 24. 91 atoms 3959 CA ALA 509 56. 389 -10. 855 42. 687 1. 00 27. 02 Atomic 3960 CB ALA 509 56. 740 -12. 276 43. 144 1. 00 22. 60 atoms 3961 C ALA 509 57. 560 -10. 234 41. 932 1. 00 28. 45 atoms 3962 O ALA 509 58. 210 -9. 320 42. 436 1. 00 32. 34 atoms 3963 N ARG 510 57. 829 -10. 722 40. 724 1. 00 29. 56 atoms 3964 CA ARG 510 58. 928 -10. 180 39. 924 1. 00 30. 26 atoms 3965 CB ARG 510 58. 978 -10. 870 38. 562 1. 00 30. 46 atoms 3966 CG ARG 510 58. 777 -12. 369 38. 607 1. 00 25. 33 atoms 3967 CD ARG 510 60. 069 -13. 055 38. 961 1. 00 28. 12 atoms 3968 NE ARG 510 59. 879 -14. 419 39. 451 1. 00 35. 39 atoms 3969 CZ ARG 510 60. 226 -14. 836 40. 667 1. 00 34. 87 atoms 3970 NH1 ARG 510 60. 784 -13. 999 41. 539 1. 00 33. 89 atoms 3971 NH2 ARG 510 60. 048 -16. 105 41. 001 1. 00 36. 28 atoms 3972 C ARG 510 58. 746 -8. 670 39. 729 1. 00 32. 22 atoms 3973 O ARG 510 59. 712 -7. 909 39. 697 1. 00 34. 67 atoms 3974 N LEU 511 57. 497 -8. 234 39. 602 1. 00 33. 14 atoms 3975 CA LEU 511 57. 211 -6. 812 39. 424 1. 00 32. 24 atoms 3976 CB LEU 511 55. 755 -6. 617 38. 985 1. 00 31. 16 atoms 3977 CG LEU 511 55. 532 -6. 888 37. 492 1. 00 30. 87 atoms 3978 CD1 LEU 511 54. 132 -7. 401 37. 266 1. 00 19. 45 atoms 3979 CD2 LEU 511 55. 787 -5. 611 36. 708 1. 00 25. 52 atoms 3980 C LEU 511 57. 479 -6. 017 40. 701 1. 00 31. 18 atoms 3981 O LEU 511 58. 169 -4. 989 40. 669 1. 00 26. 79 atoms 3982 N LEU 512 56. 928 -6. 493 41. 819 1. 00 30. 24 atoms 3983 CA LEU 512 57. 110 -5. 819 43. 108 1. 00 32. 29 atoms 3984 CB LEU 512 56. 482 -6. 619 44. 261 1. 00 25. 88 atoms 3985 CG LEU 512 54. 984 -6. 940 44. 299 1. 00 26. 51 atoms 3986 CD1 LEU 512 54. 716 -7. 891 45. 457 1. 00 28. 99 atoms 3987 CD2 LEU 512 54. 165 -5. 677 44. 444 1. 00 24. 37 atoms 3988 C LEU 512 58. 594 -5. 676 43. 402 1. 00 33. 82 atoms 3989 O LEU 512 59. 094 -4. 580 43. 661 1. 00 33. 78 atoms 3990 N SER 513 59. 289 -6. 803 43. 335 1. 00 34. 94 atoms 3991 CA SER 513 60. 711 -6. 866 43. 630 1. 00 37. 95 atoms 3992 CB SER 513 61. 138 -8. 332 43. 650 1. 00 42. 15 atoms 3993 OG SER 513 60. 281 -9. 073 44. 514 1. 00 45. 41 atoms 3994 C SER 513 61. 644 -6. 046 42. 743 1. 00 36. 68 atoms 3995 O SER 513 62. 864 -6. 162 42. 849 1. 00 35. 08 atom 3996 N GLN 514 61. 067 -5. 206 41. 891 1. 00 37. 16 atoms 3997 CA GLN 514 61. 836 -4. 358 40. 983 1. 00 37. 50 atoms 3998 CB GLN 514 61. 248 -4. 429 39. 569 1. 00 43. 16 atoms 3999 CG GLN 514 61. 986 -5. 334 38. 574 1. 00 46. 16 atoms 4000 CD GLN 514 61. 951 -4. 784 37. 144 1. 00 48. 42 atoms 4001 OE1 GLN 514 61. 409 -3. 700 36. 886 1. 00 45. 55 atoms 4002 NE2 GLN 514 62. 535 -5. 531 36. 211 1. 00 43. 64 atoms 4003 C GLN 514 61. 753 -2. 922 41. 483 1. 00 37. 67 atoms 4004 O GLN 514 62. 463 -2. 039 41. 007 1. 00 35. 72 atoms 4005 N GLY 515 60. 865 -2. 697 42. 446 1. 00 38. 87 atoms 4006 CA GLY 515 60. 689 -1. 370 43. 007 1. 00 36. 83 atoms 4007 C GLY 515 60. 157 -0. 355 42. 012 1. 00 36. 39 atoms 4008 O GLY 515 60. 024 -0. 650 40. 827 1. 00 37. 60 atoms 4009 N GLY 516 59. 841 0. 839 42. 505 1. 00 33. 81 atoms 4010 CA GLY 516 59. 334 1. 897 41. 655 1. 00 33. 91 atoms 4011 C GLY 516 58. 143 1. 533 40. 794 1. 00 38. 28 atoms 4012 O GLY 516 57. 298 0. 722 41. 181 1. 00 38. 92 atoms 4013 N ARG 517 58. 091 2. 144 39. 614 1. 00 38. 05 atom 4014 CA ARG 517 57. 012 1. 934 38. 659 1. 00 35. 86 atoms 4015 CB ARG 517 57. 396 2. 537 37. 305 1. 00 40. 10 atoms 4016 CG ARG 517 56. 812 3. 919 37. 054 1. 00 43. 18 atoms 4017 CD ARG 517 56. 079 3. 950 35. 735 1. 00 47. 23 atoms 4018 NE ARG 517 56. 470 5. 105 34. 939 1. 00 54. 17 atoms 4019 CZ ARG 517 57. 512 5. 130 34. 112 1. 00 56. 95 atoms 4020 NH1 ARG 517 58. 279 4. 056 33. 965 1. 00 58. 23 atoms 4021 NH2 ARG 517 57. 794 6. 237 33. 436 1. 00 58. 13 atoms 4022 C ARG 517 56. 605 0. 476 38. 477 1. 00 31. 56 atoms 4023 O ARG 517 55. 414 0. 160 38. 475 1. 00 34. 95 atoms 4024 N ALA 518 57. 573 -0. 419 38. 328 1. 00 25. 19 atoms 4025 CA ALA 518 57. 228 -1. 825 38. 150 1. 00 21. 50 atoms 4026 CB ALA 518 58. 457 -2. 630 37. 885 1. 00 11. 56 atoms 4027 C ALA 518 56. 480 -2. 398 39. 347 1. 00 22. 19 atoms 4028 O ALA 518 55. 663 -3. 305 39. 193 1. 00 26. 95 atoms 4029 N ALA 519 56. 768 -1. 867 40. 534 1. 00 22. 61 atoms 4030 CA ALA 519 56. 138 -2. 303 41. 782 1. 00 19. 97 atoms 4031 CB ALA 519 56. 867 -1. 669 42. 975 1. 00 17. 81 atoms 4032 C ALA 519 54. 656 -1. 938 41. 828 1. 00 20. 24 atoms 4033 O ALA 519 53. 810 -2. 760 42. 207 1. 00 19. 71 atoms 4034 N THR 520 54. 346 -0. 697 41. 453 1. 00 19. 16 atoms 4035 CA THR 520 52. 968 -0. 221 41. 453 1. 00 21. 36 atoms 4036 CB THR 520 52. 907 1. 225 40. 977 1. 00 20. 09 atom 4037 OG1 THR 520 53. 970 1. 952 41. 595 1. 00 23. 76 atoms 4038 CG2 THR 520 51. 582 1. 868 41. 356 1. 00 18. 61 atoms 4039 C THR 520 52. 059 -1. 092 40. 574 1. 00 24. 98 atoms 4040 O THR 520 50. 947 -1. 434 40. 984 1. 00 25. 03 atom 4041 N CYS 521 52. 541 -1. 451 39. 377 1. 00 23. 25 atoms 4042 CA CYS 521 51. 785 -2. 288 38. 431 1. 00 21. 68 atoms 4043 CB CYS 521 52. 573 -2. 510 37. 118 1. 00 21. 82 atoms 4044 SG CYS 521 52. 914 -1. 044 36. 097 1. 00 17. 89 atoms 4045 C CYS 521 51. 504 -3. 643 39. 054 1. 00 20. 51 atoms 4046 O CYS 521 50. 398 -4. 168 38. 959 1. 00 19. 81 atoms 4047 N GLY 522 52. 529 -4. 206 39. 683 1. 00 21. 73 atoms 4048 CA GLY 522 52. 404 -5. 504 40. 317 1. 00 21. 72 atoms 4049 C GLY 522 51. 402 -5. 544 41. 453 1. 00 23. 41 atoms 4050 O GLY 522 50. 619 -6. 497 41. 589 1. 00 22. 54 atoms 4051 N LYS 523 51. 405 -4. 492 42. 256 1. 00 21. 41 atoms 4052 CA LYS 523 50. 527 -4. 425 43. 406 1. 00 21. 80 atoms 4053 CB LYS 523 51. 148 -3. 442 44. 416 1. 00 22. 06 Atom 4054 CG LYS 523 50. 178 -2. 735 45. 320 1. 00 22. 90 atoms 4055 CD LYS 523 50. 911 -1. 834 46. 293 1. 00 21. 46 atoms 4056 CE LYS 523 49. 933 -0. 961 47. 083 1. 00 13. 21 atoms 4057 NZ LYS 523 50. 606 0. 324 47. 409 1. 00 23. 93 atoms 4058 C LYS 523 49. 087 -4. 048 43. 023 1. 00 22. 07 atom 4059 O LYS 523 48. 112 -4. 609 43. 533 1. 00 21. 31 atoms 4060 N TYR 524 48. 951 -3. 117 42. 093 1. 00 23. 53 atoms 4061 CA TYR 524 47. 624 -2. 692 41. 678 1. 00 24. 18 atoms 4062 CB TYR 524 47. 707 -1. 248 41. 170 1. 00 26. 96 atoms 4063 CG TYR 524 47. 799 -0. 222 42. 292 1. 00 31. 99 atoms 4064 CD1 TYR 524 49. 028 0. 147 42. 835 1. 00 31. 39 atoms 4065 CE1 TYR 524 49. 108 1. 041 43. 892 1. 00 31. 53 atoms 4066 CD2 TYR 524 46. 653 0. 343 42. 832 1. 00 36. 34 atoms 4067 CE2 TYR 524 46. 720 1. 238 43. 891 1. 00 35. 33 atoms 4068 CZ TYR 524 47. 943 1. 585 44. 417 1. 00 34. 86 atoms 4069 OH TYR 524 47. 983 2. 452 45. 486 1. 00 30. 70 atoms 4070 C TYR 524 46. 958 -3. 618 40. 629 1. 00 25. 33 atoms 4071 O TYR 524 45. 806 -4. 043 40. 792 1. 00 22. 85 atoms 4072 N LEU 525 47. 686 -3. 956 39. 570 1. 00 20. 76 atoms 4073 CA LEU 525 47. 109 -4. 787 38. 539 1. 00 19. 46 atoms 4074 CB LEU 525 47. 957 -4. 766 37. 252 1. 00 20. 85 atoms 4075 CG LEU 525 48. 736 -3. 549 36. 746 1. 00 18. 37 atoms 4076 CD1 LEU 525 49. 208 -3. 846 35. 334 1. 00 19. 62 atoms 4077 CD2 LEU 525 47. 869 -2. 316 36. 731 1. 00 23. 39 atoms 4078 C LEU 525 46. 930 -6. 227 38. 957 1. 00 19. 55 atoms 4079 O LEU 525 46. 037 -6. 908 38. 443 1. 00 14. 61 atoms 4080 N PHE 526 47. 759 -6. 710 39. 879 1. 00 21. 79 atoms 4081 CA PHE 526 47. 660 -8. 129 40. 239 1. 00 22. 87 atoms 4082 CB PHE 526 48. 976 -8. 848 39. 882 1. 00 23. 31 atoms 4083 CG PHE 526 49. 394 -8. 686 38. 425 1. 00 25. 42 atoms 4084 CD1 PHE 526 50. 444 -7. 836 38. 070 1. 00 25. 95 atoms 4085 CD2 PHE 526 48. 741 -9. 382 37. 412 1. 00 22. 77 atoms 4086 CE1 PHE 526 50. 830 -7. 690 36. 723 1. 00 25. 73 atoms 4087 CE2 PHE 526 49. 129 -9. 233 36. 054 1. 00 19. 20 atoms 4088 CZ PHE 526 50. 166 -8. 394 35. 716 1. 00 12. 30 atoms 4089 C PHE 526 47. 230 -8. 493 41. 645 1. 00 19. 74 atoms 4090 O PHE 526 47. 406 -9. 626 42. 077 1. 00 20. 87 atoms 4091 N ASN 527 46. 649 -7. 540 42. 351 1. 00 20. 80 atoms 4092 CA ASN 527 46. 168 -7. 800 43. 697 1. 00 22. 67 atoms 4093 CB ASN 527 45. 676 -6. 503 44. 329 1. 00 21. 32 atoms 4094 CG ASN 527 45. 875 -6. 480 45. 820 1. 00 27. 69 atoms 4095 OD1 ASN 527 47. 001 -6. 622 46. 320 1. 00 26. 48 atoms 4096 ND2 ASN 527 44. 786 -6. 298 46. 550 1. 00 22. 52 atoms 4097 C ASN 527 45. 025 -8. 824 43. 661 1. 00 26. 89 atoms 4098 O ASN 527 44. 758 -9. 504 44. 654 1. 00 29. 14 atoms 4099 N TRP 528 44. 360 -8. 933 42. 509 1. 00 26. 74 atoms 4100 CA TRP 528 43. 245 -9. 863 42. 334 1. 00 22. 63 atoms 4101 CB TRP 528 42. 511 -9. 588 40. 999 1. 00 23. 42 atoms 4102 CG TRP 528 43. 373 -9. 841 39. 769 1. 00 22. 88 atoms 4103 CD2 TRP 528 43. 737 -11. 119 39. 226 1. 00 16. 34 atoms 4104 CE2 TRP 528 44. 716 -10. 891 38. 224 1. 00 16. 94 atoms 4105 CE3 TRP 528 43. 341 -12. 430 39. 493 1. 00 16. 31 atom 4106 CD1 TRP 528 44. 109 -8. 909 39. 074 1. 00 21. 03 atom 4107 NE1 TRP 528 44. 920 -9. 533 38. 151 1. 00 20. 51 atoms 4108 CZ2 TRP 528 45. 307 -11. 930 37. 491 1. 00 12. 66 atoms 4109 CZ3 TRP 528 43. 935 -13. 478 38. 757 1. 00 22. 18 atoms 4110 CH2 TRP 528 44. 908 -13. 214 37. 770 1. 00 10. 51 atoms 4111 C TRP 528 43. 770 -11. 295 42. 350 1. 00 24. 25 atoms 4112 O TRP 528 43. 006 -12. 246 42. 533 1. 00 20. 16 atoms 4113 N ALA 529 45. 081 -11. 444 42. 172 1. 00 27. 26 atoms 4114 CA ALA 529 45. 700 -12. 772 42. 137 1. 00 28. 52 atoms 4115 CB ALA 529 46. 966 -12. 742 41. 293 1. 00 19. 41 atoms 4116 C ALA 529 46. 023 -13. 306 43. 523 1. 00 30. 29 atoms 4117 O ALA 529 45. 648 -14. 427 43. 861 1. 00 35. 11 atoms 4118 N VAL 530 46. 725 -12. 507 44. 317 1. 00 33. 55 atoms 4119 CA VAL 530 47. 103 -12. 910 45. 670 1. 00 33. 91 atoms 4120 CB VAL 530 47. 857 -11. 769 46. 412 1. 00 31. 28 atoms 4121 CG1 VAL 530 48. 789 -11. 047 45. 464 1. 00 26. 39 atoms 4122 CG2 VAL 530 46. 874 -10. 791 47. 004 1. 00 29. 38 atoms 4123 C VAL 530 45. 875 -13. 319 46. 486 1. 00 36. 28 atoms 4124 O VAL 530 44. 759 -12. 853 46. 236 1. 00 38. 88 atoms 4125 N LYS 531 46. 090 -14. 191 47. 465 1. 00 38. 17 atoms 4126 CA LYS 531 45. 017 -14. 687 48. 327 1. 00 38. 07 atom 4127 CB LYS 531 45. 476 -15. 987 48. 995 1. 00 39. 85 atoms 4128 CG LYS 531 46. 671 -16. 647 48. 300 1. 00 38. 60 atoms 4129 CD LYS 531 47. 946 -15. 836 48. 534 1. 00 43. 75 atoms 4130 CE LYS 531 49. 106 -16. 300 47. 666 1. 00 42. 42 atoms 4131 NZ LYS 531 49. 773 -17. 500 48. 247 1. 00 43. 42 atoms 4132 C LYS 531 44. 593 -13. 644 49. 378 1. 00 36. 13 atoms 4133 O LYS 531 43. 404 -13. 304 49. 494 1. 00 36. 59 atoms 4134 N THR 532 45. 560 -13. 142 50. 143 1. 00 29. 06 Atomic 4135 CA THR 532 45. 271 -12. 122 51. 142 1. 00 26. 83 atoms 4136 CB THR 532 46. 183 -12. 237 52. 362 1. 00 27. 27 atoms 4137 OG1 THR 532 46. 813 -13. 520 52. 364 1. 00 35. 92 atoms 4138 CG2 THR 532 45. 371 -12. 051 53. 638 1. 00 26. 98 atoms 4139 C THR 532 45. 512 -10. 779 50. 479 1. 00 23. 15 atoms 4140 O THR 532 46. 638 -10. 298 50. 392 1. 00 17. 89 atoms 4141 N LYS 533 44. 444 -10. 161 50. 019 1. 00 24. 30 atoms 4142 CA LYS 533 44. 610 -8. 915 49. 313 1. 00 30. 02 atom 4143 CB LYS 533 43. 330 -8. 601 48. 543 1. 00 34. 16 atoms 4144 CG LYS 533 43. 261 -9. 297 47. 186 1. 00 42. 24 atoms 4145 CD LYS 533 41. 884 -9. 901 46. 917 1. 00 44. 15 atoms 4146 CE LYS 533 41. 955 -11. 415 46. 751 1. 00 46. 89 atoms 4147 NZ LYS 533 41. 927 -11. 827 45. 328 1. 00 43. 79 atoms 4148 C LYS 533 44. 993 -7. 746 50. 186 1. 00 30. 92 atoms 4149 O LYS 533 44. 629 -7. 697 51. 363 1. 00 34. 83 atoms 4150 N LEU 534 45. 748 -6. 809 49. 613 1. 00 32. 89 atoms 4151 CA LEU 534 46. 119 -5. 607 50. 338 1. 00 32. 08 atom 4152 CB LEU 534 47. 526 -5. 142 49. 986 1. 00 30. 92 atoms 4153 CG LEU 534 48. 112 -5. 387 48. 608 1. 00 35. 03 atom 4154 CD1 LEU 534 47. 865 -4. 160 47. 762 1. 00 33. 89 atoms 4155 CD2 LEU 534 49. 621 -5. 677 48. 725 1. 00 32. 33 atoms 4156 C LEU 534 45. 101 -4. 549 49. 960 1. 00 34. 40 atoms 4157 O LEU 534 44. 462 -4. 653 48. 919 1. 00 34. 91 atoms 4158 N LYS 535 44. 925 -3. 551 50. 824 1. 00 37. 40 atoms 4159 CA LYS 535 43. 961 -2. 480 50. 580 1. 00 34. 10 atoms 4160 CB LYS 535 43. 499 -1. 866 51. 911 1. 00 36. 92 atoms 4161 CG LYS 535 41. 986 -1. 841 52. 114 1. 00 38. 59 atoms 4162 CD LYS 535 41. 402 -0. 439 51. 877 1. 00 44. 81 atoms 4163 CE LYS 535 41. 745 0. 537 53. 041 1. 00 48. 73 atoms 4164 NZ LYS 535 41. 791 2. 007 52. 687 1. 00 35. 50 atoms 4165 C LYS 535 44. 569 -1. 399 49. 695 1. 00 33. 67 atoms 4166 O LYS 535 45. 465 -0. 651 50. 111 1. 00 33. 50 atoms 4167 N LEU 536 44. 062 -1. 302 48. 475 1. 00 31. 05 atom 4168 CA LEU 536 44. 574 -0. 317 47. 536 1. 00 28. 88 atoms 4169 CB LEU 536 44. 148 -0. 686 46. 120 1. 00 20. 05 atom 4170 CG LEU 536 44. 814 -2. 001 45. 746 1. 00 17. 34 atoms 4171 CD1 LEU 536 44. 447 -2. 418 44. 336 1. 00 14. 63 atoms 4172 CD2 LEU 536 46. 316 -1. 828 45. 895 1. 00 16. 21 atoms 4173 C LEU 536 44. 157 1. 104 47. 866 1. 00 29. 61 atoms 4174 O LEU 536 42. 984 1. 383 48. 100 1. 00 29. 85 atoms 4175 N THR 537 45. 148 1. 987 47. 916 1. 00 28. 82 atoms 4176 CA THR 537 44. 927 3. 396 48. 186 1. 00 30. 68 atoms 4177 CB THR 537 46. 005 3. 978 49. 116 1. 00 34. 05 atom 4178 OG1 THR 537 47. 102 4. 463 48. 325 1. 00 37. 16 atoms 4179 CG2 THR 537 46. 505 2. 923 50. 095 1. 00 37. 83 atoms 4180 C THR 537 45. 055 4. 086 46. 833 1. 00 31. 45 atoms 4181 O THR 537 45. 804 3. 629 45. 972 1. 00 30. 15 atoms 4182 N PRO 538 44. 314 5. 176 46. 617 1. 00 29. 13 atoms 4183 CD PRO 538 43. 325 5. 821 47. 497 1. 00 30. 93 atoms 4184 CA PRO 538 44. 434 5. 844 45. 321 1. 00 29. 71 atoms 4185 CB PRO 538 43. 652 7. 135 45. 511 1. 00 31. 77 atoms 4186 CG PRO 538 42. 634 6. 788 46. 578 1. 00 32. 13 atoms 4187 C PRO 538 45. 900 6. 075 44. 973 1. 00 30. 50 atoms 4188 O PRO 538 46. 692 6. 472 45. 831 1. 00 29. 48 atoms 4189 N ILE 539 46. 257 5. 796 43. 719 1. 00 28. 66 atoms 4190 CA ILE 539 47. 626 5. 955 43. 261 1. 00 30. 89 atoms 4191 CB ILE 539 47. 843 5. 328 41. 855 1. 00 32. 12 atoms 4192 CG2 ILE 539 49. 236 5. 640 41. 357 1. 00 23. 73 atoms 4193 CG1 ILE 539 47. 669 3. 808 41. 922 1. 00 33. 30 atoms 4194 CD1 ILE 539 47. 241 3. 163 40. 605 1. 00 32. 29 atoms 4195 C ILE 539 47. 978 7. 425 43. 212 1. 00 35. 32 atoms 4196 O ILE 539 47. 301 8. 217 42. 561 1. 00 36. 86 atoms 4197 N PRO 540 49. 040 7. 810 43. 923 1. 00 42. 57 atoms 4198 CD PRO 540 49. 869 6. 899 44. 735 1. 00 45. 45 atoms 4199 CA PRO 540 49. 500 9. 203 43. 973 1. 00 47. 52 atoms 4200 CB PRO 540 50. 494 9. 224 45. 134 1. 00 47. 95 atoms 4201 CG PRO 540 50. 913 7. 798 45. 335 1. 00 46. 55 atoms 4202 C PRO 540 50. 135 9. 671 42. 667 1. 00 51. 52 atoms 4203 O PRO 540 49. 905 10. 793 42. 228 1. 00 52. 60 atoms 4204 N ALA 541 50. 937 8. 810 42. 053 1. 00 53. 79 atoms 4205 CA ALA 541 51. 592 9. 151 40. 797 1. 00 58. 44 atoms 4206 CB ALA 541 52. 733 8. 168 40. 535 1. 00 61. 73 atoms 4207 C ALA 541 50. 600 9. 147 39. 621 1. 00 60. 41 atoms 4208 O ALA 541 50. 855 8. 529 38. 582 1. 00 58. 45 atoms 4209 N ALA 542 49. 473 9. 839 39. 793 1. 00 62. 52 atoms 4210 CA ALA 542 48. 433 9. 920 38. 766 1. 00 62. 72 atoms 4211 CB ALA 542 47. 760 8. 558 38. 601 1. 00 64. 28 atoms 4212 C ALA 542 47. 384 10. 967 39. 142 1. 00 64. 21 atoms 4213 O ALA 542 46. 574 10. 739 40. 046 1. 00 64. 50 atoms 4214 N SER 543 47. 391 12. 105 38. 450 1. 00 64. 02 atom 4215 CA SER 543 46. 428 13. 173 38. 725 1. 00 61. 74 atoms 4216 CB SER 543 46. 552 13. 643 40. 180 1. 00 60. 37 atoms 4217 OG SER 543 45. 414 13. 287 40. 952 1. 00 56. 95 atoms 4218 C SER 543 46. 654 14. 352 37. 788 1. 00 61. 94 atoms 4219 O SER 543 47. 593 14. 261 36. 965 1. 00 63. 12 atoms 4220 CB LEU 547 43. 716 10. 598 30. 109 1. 00 46. 53 atoms 4221 CG LEU 547 44. 915 9. 938 30. 813 1. 00 41. 86 atoms 4222 CD1 LEU 547 44. 610 8. 464 31. 097 1. 00 39. 82 atoms 4223 CD2 LEU 547 46. 162 10. 064 29. 939 1. 00 40. 47 atoms 4224 C LEU 547 42. 571 12. 609 29. 095 1. 00 50. 18 atoms 4225 O LEU 547 41. 655 11. 854 28. 772 1. 00 53. 79 atoms 4226 N LEU 547 44. 121 12. 899 30. 947 1. 00 47. 33 atoms 4227 CA LEU 547 43. 855 12. 084 29. 729 1. 00 50. 02 atom 4228 N SER 548 42. 516 13. 923 28. 930 1. 00 51. 66 atoms 4229 CA SER 548 41. 354 14. 582 28. 350 1. 00 52. 11 atoms 4230 CB SER 548 41. 366 16. 070 28. 731 1. 00 53. 79 atoms 4231 OG SER 548 42. 546 16. 705 28. 255 1. 00 56. 74 atoms 4232 C SER 548 41. 320 14. 440 26. 823 1. 00 50. 14 atoms 4233 O SER 548 40. 273 14. 124 26. 250 1. 00 47. 18 atoms 4234 N GLY 549 42. 472 14. 666 26. 185 1. 00 47. 75 atoms 4235 CA GLY 549 42. 576 14. 589 24. 733 1. 00 46. 46 atoms 4236 C GLY 549 42. 238 13. 259 24. 083 1. 00 43. 60 atoms 4237 O GLY 549 41. 764 13. 209 22. 947 1. 00 45. 49 atoms 4238 N TRP 550 42. 472 12. 183 24. 819 1. 00 40. 58 atoms 4239 CA TRP 550 42. 230 10. 830 24. 349 1. 00 37. 12 atoms 4240 CB TRP 550 42. 491 9. 850 25. 479 1. 00 33. 40 atoms 4241 CG TRP 550 43. 931 9. 703 25. 814 1. 00 39. 27 atoms 4242 CD2 TRP 550 44. 542 8. 594 26. 472 1. 00 38. 11 atoms 4243 CE2 TRP 550 45. 913 8. 884 26. 586 1. 00 39. 99 atoms 4244 CE3 TRP 550 44. 060 7. 385 26. 985 1. 00 40. 66 atoms 4245 CD1 TRP 550 44. 928 10. 594 25. 557 1. 00 38. 74 atoms 4246 NE1 TRP 550 46. 122 10. 111 26. 013 1. 00 39. 45 atoms 4247 CZ2 TRP 550 46. 814 8. 004 27. 177 1. 00 39. 82 atoms 4248 CZ3 TRP 550 44. 950 6. 513 27. 571 1. 00 41. 68 atoms 4249 CH2 TRP 550 46. 315 6. 829 27. 669 1. 00 40. 92 atoms 4250 C TRP 550 40. 821 10. 610 23. 850 1. 00 37. 72 atoms 4251 O TRP 550 40. 592 9. 901 22. 854 1. 00 36. 59 atoms 4252 N PHE 551 39. 877 11. 218 24. 555 1. 00 36. 18 atoms 4253 CA PHE 551 38. 480 11. 055 24. 225 1. 00 33. 96 atoms 4254 CB PHE 551 37. 799 10. 321 25. 371 1. 00 30. 39 atoms 4255 CG PHE 551 38. 513 9. 055 25. 777 1. 00 25. 23 atoms 4256 CD1 PHE 551 39. 427 9. 054 26. 826 1. 00 27. 56 atoms 4257 CD2 PHE 551 38. 266 7. 857 25. 115 1. 00 27. 89 atoms 4258 CE1 PHE 551 40. 091 7. 860 27. 216 1. 00 24. 35 atoms 4259 CE2 PHE 551 38. 920 6. 656 25. 492 1. 00 19. 97 atoms 4260 CZ PHE 551 39. 828 6. 664 26. 541 1. 00 22. 33 atoms 4261 C PHE 551 37. 791 12. 370 23. 892 1. 00 35. 69 atoms 4262 O PHE 551 36. 898 12. 843 24. 607 1. 00 35. 41 atoms 4263 N VAL 552 38. 232 12. 935 22. 770 1. 00 32. 09 atom 4264 CA VAL 552 37. 725 14. 186 22. 237 1. 00 29. 85 atoms 4265 CB VAL 552 38. 901 15. 090 21. 838 1. 00 31. 14 atoms 4266 CG1 VAL 552 38. 469 16. 069 20. 772 1. 00 29. 68 atoms 4267 CG2 VAL 552 39. 442 15. 809 23. 065 1. 00 28. 42 atoms 4268 C VAL 552 36. 854 13. 902 20. 998 1. 00 27. 42 atoms 4269 O VAL 552 35. 723 14. 361 20. 902 1. 00 27. 21 atoms 4270 N ALA 553 37. 394 13. 130 20. 065 1. 00 24. 42 atoms 4271 CA ALA 553 36. 697 12. 783 18. 829 1. 00 23. 14 atoms 4272 CB ALA 553 36. 902 13. 877 17. 785 1. 00 18. 35 atoms 4273 C ALA 553 37. 228 11. 468 18. 280 1. 00 20. 69 atoms 4274 O ALA 553 38. 277 10. 987 18. 709 1. 00 18. 72 atoms 4275 N GLY 554 36. 497 10. 897 17. 328 1. 00 18. 56 atoms 4276 CA GLY 554 36. 918 9. 657 16. 701 1. 00 15. 95 atoms 4277 C GLY 554 37. 778 9. 988 15. 492 1. 00 19. 28 atoms 4278 O GLY 554 37. 555 10. 992 14. 817 1. 00 17. 64 atoms 4279 N TYR 555 38. 756 9. 138 15. 201 1. 00 22. 01 atom 4280 CA TYR 555 39. 639 9. 399 14. 079 1. 00 24. 13 atoms 4281 CB TYR 555 40. 937 10. 005 14. 595 1. 00 20. 22 atoms 4282 CG TYR 555 40. 748 11. 356 15. 221 1. 00 19. 94 atoms 4283 CD1 TYR 555 40. 759 11. 516 16. 607 1. 00 18. 14 atoms 4284 CE1 TYR 555 40. 695 12. 784 17. 180 1. 00 20. 60 atoms 4285 CD2 TYR 555 40. 651 12. 490 14. 427 1. 00 18. 09 atom 4286 CE2 TYR 555 40. 587 13. 747 14. 984 1. 00 18. 43 atoms 4287 CZ TYR 555 40. 622 13. 888 16. 351 1. 00 19. 06 atom 4288 OH TYR 555 40. 673 15. 148 16. 863 1. 00 24. 90 atoms 4289 C TYR 555 39. 985 8. 216 13. 197 1. 00 26. 88 atoms 4290 O TYR 555 40. 916 8. 304 12. 400 1. 00 30. 02 atom 4291 N SER 556 39. 272 7. 106 13. 315 1. 00 30. 32 atoms 4292 CA SER 556 39. 629 5. 978 12. 464 1. 00 37. 27 atoms 4293 CB SER 556 38. 942 4. 690 12. 933 1. 00 37. 51 atoms 4294 OG SER 556 37. 535 4. 827 12. 988 1. 00 51. 44 atoms 4295 C SER 556 39. 263 6. 293 11. 020 1. 00 37. 29 atoms 4296 O SER 556 38. 051 6. 322 10. 719 1. 00 38. 86 atoms 4297 OT SER 556 40. 198 6. 526 10. 221 1. 00 34. 94 atoms 4298 O HOH 601 46. 597 10. 920 10. 721 1. 00 20. 61 atoms 4299 O HOH 602 22. 175 2. 399 -11. 303 1. 00 39. 23 atoms 4300 O HOH 603 22. 555 -6. 018 20. 759 1. 00 25. 24 atoms 4301 O HOH 604 10. 699 23. 284 3. 535 1. 00 11. 38 atoms 4302 O HOH 605 33. 779 -15. 862 -12. 840 1. 00 32. 40 atoms 4303 O HOH 606 23. 250 -5. 255 39. 290 1. 00 19. 05 atom 4304 O HOH 607 56. 607 18. 994 13. 165 1. 00 29. 80 atoms 4305 O HOH 608 32. 158 -6. 088 14. 607 1. 00 26. 14 atoms 4306 O HOH 609 56. 341 -19. 171 32. 102 1. 00 30. 79 atoms 4307 O HOH 610 42. 183 -16. 676 46. 222 1. 00 43. 54 atoms 4308 O HOH 611 45. 029 9. 354 9. 054 1. 00 41. 58 atoms 4309 O HOH 612 47. 451 26. 726 6. 177 1. 00 47. 73 atoms 4310 O HOH 613 2. 470 -1. 802 27. 736 1. 00 38. 21 atoms 4311 O HOH 614 47. 043 21. 787 16. 034 1. 00 23. 91 atoms 4312 O HOH 615 34. 075 17. 253 18. 692 1. 00 22. 58 atoms 4313 O HOH 616 50. 817 23. 460 -12. 759 1. 00 40. 31 atom 4314 O HOH 617 38. 747 2. 676 9. 078 1. 00 25. 13 atoms 4315 O HOH 618 35. 002 0. 690 23. 109 1. 00 15. 25 atoms 4316 O HOH 619 52. 799 16. 218 -9. 314 1. 00 39. 47 atoms 4317 O HOH 620 57. 492 32. 252 19. 690 1. 00 51. 60 atoms 4318 O HOH 621 24. 538 -2. 398 -12. 767 1. 00 35. 98 atoms 4319 O HOH 622 45. 774 -26. 860 17. 172 1. 00 47. 38 atoms 4320 O HOH 623 16. 918 -0. 379 -0. 855 1. 00 50. 73 atoms 4321 O HOH 624 35. 816 -18. 589 0. 233 1. 00 41. 40 atoms 4322 O HOH 625 48. 368 29. 897 14. 750 1. 00 21. 51 atoms 4323 O HOH 626 36. 518 3. 819 41. 949 1. 00 11. 95 atoms 4324 O HOH 627 43. 658 6. 306 -16. 389 1. 00 42. 56 atoms 4325 O HOH 628 48. 323 10. 990 7. 196 1. 00 23. 08 atom 4326 O HOH 629 38. 139 -19. 255 43. 774 1. 00 44. 50 atoms 4327 O HOH 630 34. 071 6. 076 12. 772 1. 00 24. 32 atoms 4328 O HOH 631 58. 322 10. 881 14. 337 1. 00 39. 25 atoms 4329 O HOH 632 26. 691 26. 778 4. 448 1. 00 28. 44 atoms 4330 O HOH 633 53. 979 24. 631 19. 675 1. 00 54. 93 atoms 4331 O HOH 634 2. 628 2. 180 11. 312 1. 00 36. 74 atoms 4332 O HOH 635 5. 149 14. 418 28. 631 1. 00 35. 56 atoms 4333 O HOH 636 32. 587 -3. 817 12. 697 1. 00 63. 31 atom 4334 O HOH 637 27. 170 -9. 280 31. 802 1. 00 24. 21 atoms 4335 O HOH 638 43. 450 5. 359 10. 944 1. 00 36. 10 atoms 4336 O HOH 639 26. 062 -12. 225 14. 751 1. 00 49. 87 atoms 4337 O HOH 640 14. 706 7. 497 -5. 096 1. 00 18. 84 atoms 4338 O HOH 641 57. 477 -14. 762 35. 981 1. 00 28. 21 atoms 4339 O HOH 642 51. 547 9. 783 48. 172 1. 00 53. 68 atoms 4340 O HOH 643 30. 933 -6. 757 -7. 733 1. 00 35. 43 atoms 4341 O HOH 644 25. 070 13. 151 5. 827 1. 00 2. 00 atom 4342 O HOH 645 56. 672 -10. 309 18. 187 1. 00 45. 96 atoms 4343 O HOH 646 11. 579 20. 415 6. 160 1. 00 28. 95 atoms 4344 O HOH 647 27. 916 -15. 124 2. 287 1. 00 18. 06 atom 4345 O HOH 648 35. 221 2. 326 34. 458 1. 00 25. 12 atoms 4346 O HOH 649 38. 312 9. 262 36. 937 1. 00 67. 07 atom 4347 O HOH 650 46. 258 6. 938 4. 683 1. 00 24. 22 atoms 4348 O HOH 651 42. 606 -3. 262 36. 649 1. 00 21. 46 atoms 4349 O HOH 652 40. 235 11. 518 20. 853 1. 00 27. 91 atoms 4350 O HOH 653 22. 794 25. 287 5. 447 1. 00 26. 04 atom 4351 O HOH 654 38. 206 9. 504 -13. 291 1. 00 30. 62 atoms 4352 O HOH 655 45. 226 13. 150 18. 803 1. 00 18. 63 atoms 4353 O HOH 656 33. 031 -18. 621 22. 852 1. 00 44. 32 atoms 4354 O HOH 657 9. 650 -6. 271 22. 144 1. 00 32. 02 atom 4355 O HOH 658 30. 463 24. 471 -1. 145 1. 00 18. 42 atoms 4356 O HOH 659 41. 452 8. 031 8. 619 1. 00 20. 10 atoms 4357 O HOH 660 24. 327 5. 781 5. 531 1. 00 13. 22 atoms 4358 O HOH 661 47. 983 6. 984 -10. 411 1. 00 60. 77 atoms 4359 O HOH 662 30. 966 -22. 909 5. 590 1. 00 36. 24 atoms 4360 O HOH 663 33. 405 -1. 565 17. 123 1. 00 38. 51 atoms 4361 O HOH 664 21. 076 7. 717 -8. 594 1. 00 32. 16 atoms 4362 O HOH 665 16. 982 24. 733 15. 974 1. 00 34. 58 atoms 4363 O HOH 666 26. 953 23. 531 1. 354 1. 00 31. 58 atoms 4364 O HOH 667 40. 572 -13. 743 44. 640 1. 00 37. 35 atoms 4365 O HOH 668 31. 441 0. 335 7. 724 1. 00 41. 72 atoms 4366 O HOH 669 47. 678 -7. 636 13. 712 1. 00 31. 80 atoms 4367 O HOH 670 46. 557 22. 825 -11. 411 1. 00 67. 81 atoms 4368 O HOH 671 21. 234 10. 081 -2. 885 1. 00 10. 38 atoms 4369 O HOH 672 31. 211 -1. 023 4. 408 1. 00 24. 09 atom 4370 O HOH 673 50. 141 -6. 813 -11. 682 1. 00 21. 54 atoms 4371 O HOH 674 33. 244 15. 024 -9. 889 1. 00 67. 86 atoms 4372 O HOH 675 38. 979 11. 058 31. 410 1. 00 26. 12 atoms 4373 O HOH 676 34. 118 11. 305 3. 467 1. 00 28. 25 atoms 4374 O HOH 677 46. 763 -27. 510 31. 664 1. 00 52. 83 atoms 4375 O HOH 678 35. 099 2. 565 8. 047 1. 00 28. 30 atoms 4376 O HOH 679 9. 176 25. 088 4. 798 1. 00 18. 72 atoms 4377 O HOH 680 14. 704 13. 412 25. 182 1. 00 48. 26 atoms 4378 O HOH 681 6. 438 4. 023 3. 328 1. 00 61. 72 atoms 4379 O HOH 682 32. 219 15. 747 2. 622 1. 00 38. 25 atoms 4380 O HOH 683 31. 014 -13. 129 15. 368 1. 00 36. 02 atom 4381 O HOH 684 41. 423 22. 998 -13. 412 1. 00 46. 45 atoms 4382 O HOH 685 41. 073 14. 541 32. 544 1. 00 57. 67 atoms 4383 O HOH 686 41. 923 30. 239 10. 109 1. 00 24. 51 atoms 4384 O HOH 687 13. 043 1. 835 1. 524 1. 00 45. 08 atom 4385 O HOH 688 36. 384 1. 728 2. 325 1. 00 23. 11 atoms 4386 O HOH 689 38. 926 -12. 759 41. 527 1. 00 26. 09 atom 4387 O HOH 690 13. 533 4. 342 -1. 256 1. 00 53. 49 atoms 4388 O HOH 691 42. 859 -30. 767 29. 292 1. 00 49. 63 atoms 4389 O HOH 692 46. 981 -5. 614 -11. 265 1. 00 28. 30 atoms 4390 O HOH 693 34. 904 -2. 672 2. 841 1. 00 25. 95 atoms 4391 O HOH 694 22. 975 23. 743 2. 224 1. 00 32. 47 atoms 4392 O HOH 695 45. 861 14. 150 31. 270 1. 00 37. 81 atoms 4393 O HOH 696 46. 016 15. 972 22. 828 1. 00 88. 18 atoms 4394 O HOH 697 13. 753 -0. 702 38. 177 1. 00 52. 89 atoms 4395 O HOH 698 34. 502 16. 040 22. 414 1. 00 27. 95 atoms 4396 O HOH 699 22. 706 27. 973 10. 089 1. 00 35. 75 atoms 4397 O HOH 700 63. 426 -24. 001 17. 375 1. 00 42. 25 atoms 4398 O HOH 701 34. 349 9. 690 1. 548 1. 00 9. 34 atoms 4399 O HOH 702 41. 163 2. 343 49. 912 1. 00 27. 48 atoms 4400 O HOH 703 9. 851 15. 333 21. 500 1. 00 58. 68 atoms 4401 O HOH 704 44. 019 27. 355 14. 119 1. 00 23. 41 atoms 4402 O HOH 705 47. 294 -8. 487 10. 420 1. 00 28. 83 atoms 4403 O HOH 706 -0. 567 -15. 964 21. 058 1. 00 71. 82 atoms 4404 O HOH 707 45. 139 17. 223 28. 013 1. 00 36. 95 atoms 4405 O HOH 708 54. 938 29. 596 18. 826 1. 00 45. 27 atoms 4406 O HOH 709 56. 658 -1. 774 11. 129 1. 00 59. 82 atoms 4407 O HOH 710 41. 378 -2. 253 48. 336 1. 00 83. 26 atoms 4408 O HOH 711 34. 016 0. 844 32. 187 1. 00 19. 51 atoms 4409 O HOH 712 40. 079 23. 922 18. 790 1. 00 40. 86 atoms 4410 O HOH 713 23. 939 16. 548 -6. 662 1. 00 73. 98 atoms 4411 O HOH 714 43. 805 -5. 760 37. 997 1. 00 33. 15 atoms 4412 O HOH 715 43. 983 12. 763 7. 024 1. 00 49. 45 atoms 4413 O HOH 716 17. 467 -6. 790 34. 490 1. 00 60. 85 atoms 4414 O HOH 717 57. 128 -9. 673 7. 961 1. 00 47. 78 atoms 4415 O HOH 718 28. 310 -13. 504 15. 674 1. 00 32. 19 atoms 4416 O HOH 719 48. 350 12. 483 24. 005 1. 00 59. 90 atoms 4417 O HOH 720 19. 085 8. 242 -9. 951 1. 00 25. 97 atoms 4418 O HOH 721 55. 772 11. 621 19. 184 1. 00 35. 36 atoms 4419 O HOH 722 7. 019 15. 603 32. 528 1. 00 63. 48 atoms 4420 O HOH 723 36. 866 -13. 652 15. 802 1. 00 27. 53 atoms 4421 O HOH 724 43. 517 24. 315 -12. 119 1. 00 35. 85 atoms 4422 O HOH 725 37. 708 -15. 785 39. 175 1. 00 54. 73 atoms 4423 O HOH 726 5. 217 0. 089 34. 330 1. 00 62. 89 atoms 4424 O HOH 727 22. 932 16. 773 24. 935 1. 00 39. 55 atoms 4425 O HOH 728 57. 302 -9. 957 -7. 609 1. 00 30. 04 atom 4426 O HOH 729 7. 732 5. 303 -6. 078 1. 00 77. 38 atoms 4427 O HOH 730 20. 565 18. 229 -3. 485 1. 00 34. 46 atoms 4428 O HOH 731 40. 313 14. 721 37. 485 1. 00 45. 60 atoms 4429 O HOH 732 45. 334 -26. 610 3. 300 1. 00 52. 20 atoms 4430 O HOH 733 21. 456 12. 342 33. 566 1. 00 43. 56 atoms 4431 O HOH 734 53. 572 28. 112 -7. 495 1. 00 34. 62 atoms 4432 O HOH 735 44. 392 3. 535 -16. 228 1. 00 30. 67 atoms 4433 O HOH 736 21. 788 26. 910 17. 354 1. 00 29. 40 atoms 4434 O HOH 737 1. 982 -17. 218 22. 679 1. 00 34. 59 atoms 4435 O HOH 738 49. 791 -14. 945 51. 490 1. 00 29. 55 atoms 4436 O HOH 739 65. 383 -10. 773 31. 724 1. 00 21. 33 atoms 4437 O HOH 740 48. 882 -23. 983 38. 693 1. 00 27. 07 atom 4438 O HOH 741 38. 324 18. 978 30. 698 1. 00 51. 87 atoms 4439 O HOH 742 18. 500 12. 871 19. 098 1. 00 37. 82 atoms 4440 O HOH 743 43. 444 -24. 077 3. 285 1. 00 34. 56 atoms 4441 O HOH 744 19. 073 14. 997 20. 678 1. 00 31. 54 atoms 4442 O HOH 745 43. 718 14. 040 -9. 258 1. 00 48. 86 atoms 4443 O HOH 746 19. 757 12. 108 21. 932 1. 00 16. 56 atoms 4444 O HOH 747 28. 539 -1. 306 9. 121 1. 00 19. 91 atoms 4445 O HOH 748 33. 299 13. 289 28. 355 1. 00 31. 35 atoms 4446 O HOH 749 55. 796 5. 609 21. 850 1. 00 25. 26 atoms 4447 O HOH 750 71. 236 -9. 462 30. 197 1. 00 16. 58 atoms 4448 O HOH 751 48. 317 16. 021 28. 186 1. 00 53. 92 atoms 4449 O HOH 752 37. 023 -14. 017 -12. 141 1. 00 60. 05 atom 4450 O HOH 753 47. 056 10. 022 14. 240 1. 00 16. 37 atoms 4451 O HOH 754 41. 937 -14. 514 -12. 014 1. 00 28. 96 atoms 4452 O HOH 755 58. 191 18. 257 -4. 318 1. 00 24. 23 atoms 4453 O HOH 756 34. 855 15. 167 -13. 410 1. 00 26. 63 atoms 4454 O HOH 757 46. 083 7. 332 -4. 348 1. 00 41. 74 atoms 4455 O HOH 758 34. 334 19. 475 20. 562 1. 00 36. 75 atoms 4456 O HOH 759 48. 439 12. 298 18. 766 1. 00 37. 20 atoms 4457 O HOH 760 26. 446 9. 654 -7. 040 1. 00 24. 37 atoms 4458 O HOH 761 43. 303 7. 883 -11. 435 1. 00 27. 78 atoms 4459 O HOH 762 20. 443 18. 574 16. 107 1. 00 41. 69 atoms 4460 O HOH 763 48. 286 15. 033 32. 831 1. 00 57. 35 atoms 4461 O HOH 764 10. 893 18. 980 16. 387 1. 00 59. 57 atoms 4462 O HOH 765 34. 601 4. 808 35. 497 1. 00 43. 50 atoms 4463 O HOH 766 31. 888 17. 167 -8. 403 1. 00 52. 16 atoms 4464 O HOH 767 36. 373 -3. 491 21. 106 1. 00 13. 51 atoms 4465 O HOH 768 23. 246 19. 202 -6. 517 1. 00 41. 10 atoms 4466 O HOH 769 45. 743 17. 021 -5. 597 1. 00 31. 22 atoms 4467 O HOH 770 33. 244 -13. 586 18. 326 1. 00 41. 46 atoms 4468 O HOH 771 57. 928 30. 606 16. 929 1. 00 38. 33 atoms 4469 O HOH 772 69. 124 -11. 949 27. 989 1. 00 69. 32 atoms 4470 O HOH 773 29. 727 -22. 652 27. 281 1. 00 30. 26 atoms 4471 O HOH 774 37. 839 -4. 465 13. 760 1. 00 22. 09 atom 4472 O HOH 775 41. 248 -0. 915 16. 241 1. 00 49. 75 atoms 4473 O HOH 776 32. 612 -23. 200 24. 163 1. 00 53. 24 atoms 4474 O HOH 777 47. 550 17. 765 -7. 284 1. 00 30. 72 atoms 4475 O HOH 778 22. 460 12. 258 5. 644 1. 00 12. 35 atoms 4476 O HOH 779 6. 843 19. 969 17. 253 1. 00 24. 63 atoms 4477 O HOH 780 -1. 037 0. 592 12. 041 1. 00 32. 13 atoms 4478 O HOH 781 16. 879 16. 213 -1. 036 1. 00 31. 03 atom 4479 O HOH 782 4. 952 -10. 654 24. 420 1. 00 66. 04 atom 4480 O HOH 783 30. 976 21. 960 23. 463 1. 00 26. 66 atoms 4481 O HOH 784 54. 549 -16. 852 43. 639 1. 00 44. 86 atoms 4482 O HOH 785 35. 858 0. 543 37. 145 1. 00 32. 91 atoms 4483 O HOH 786 37. 629 0. 228 45. 081 1. 00 25. 52 atoms 4484 O HOH 787 34. 090 -24. 595 29. 357 1. 00 44. 67 atoms 4485 O HOH 788 51. 277 31. 211 -7. 019 1. 00 41. 33 atoms 4486 O HOH 789 30. 912 -2. 933 10. 609 1. 00 72. 82 atoms 4487 O HOH 790 58. 746 -7. 303 -10. 029 1. 00 58. 21 atoms 4488 O HOH 791 53. 940 14. 157 19. 431 1. 00 35. 15 atoms 4489 O HOH 792 32. 011 -0. 149 14. 251 1. 00 47. 16 atoms 4490 O HOH 793 13. 553 23. 341 8. 528 1. 00 53. 03 atom 4491 O HOH 794 37. 675 -7. 811 -8. 912 1. 00 44. 94 atoms 4492 O HOH 795 48. 715 -0. 365 3. 142 1. 00 41. 74 atoms 4493 O HOH 796 50. 589 -16. 659 6. 378 1. 00 18. 40 atoms 4494 O HOH 797 44. 199 -19. 067 6. 859 1. 00 36. 05 atom 4495 O HOH 798 53. 441 -26. 855 20. 517 1. 00 50. 57 atoms 4496 O HOH 799 49. 408 -26. 628 20. 724 1. 00 50. 72 atoms 4497 O HOH 800 52. 640 -19. 756 30. 198 1. 00 47. 50 atoms 4498 O HOH 801 18. 857 3. 501 -9. 706 1. 00 21. 84 atoms 4499 O HOH 802 17. 896 1. 182 -11. 952 1. 00 32. 00 atom 4500 O HOH 803 13. 919 4. 000 -10. 397 1. 00 46. 84 atoms 4501 O HOH 804 11. 557 5. 995 -4. 803 1. 00 48. 55 atoms 4502 O HOH 805 11. 140 9. 279 7. 880 1. 00 25. 88 atoms 4503 O HOH 806 18. 676 16. 664 2. 033 1. 00 34. 39 atoms 4504 O HOH 807 27. 433 31. 963 16. 774 1. 00 20. 95 atoms 4505 O HOH 808 53. 253 29. 573 9. 882 1. 00 33. 76 atoms 4506 O HOH 809 54. 907 28. 009 11. 555 1. 00 52. 31 atom 4507 O HOH 810 62. 641 11. 739 -4. 252 1. 00 32. 53 atoms 4508 O HOH 811 65. 068 5. 329 5. 372 1. 00 54. 51 atoms 4509 O HOH 812 65. 803 8. 849 4. 108 1. 00 47. 37 atoms 4510 O HOH 813 43. 721 20. 002 -11. 175 1. 00 30. 38 atoms 4511 O HOH 814 34. 406 -17. 139 17. 170 1. 00 41. 80 atoms 4512 O HOH 815 34. 703 -23. 625 4. 105 1. 00 61. 03 atom 4513 O HOH 816 34. 197 -17. 469 3. 287 1. 00 44. 37 atoms 4514 O HOH 817 50. 104 7. 478 -2. 288 1. 00 25. 23 atoms 4515 O HOH 818 41. 677 18. 551 18. 796 1. 00 45. 33 atoms 4516 O HOH 819 38. 682 19. 681 20. 416 1. 00 45. 22 atoms 4517 O HOH 820 11. 768 4. 457 37. 706 1. 00 51. 55 atoms 4518 O HOH 821 8. 218 0. 919 37. 720 1. 00 44. 65 atoms 4519 O HOH 822 3. 397 -1. 753 33. 199 1. 00 33. 07 atom 4520 O HOH 823 34. 080 1. 178 3. 231 1. 00 31. 48 atoms 4521 O HOH 824 31. 348 10. 501 -7. 664 1. 00 31. 78 atoms 4522 O HOH 825 38. 108 4. 850 -12. 161 1. 00 31. 16 atoms 4523 O HOH 826 38. 982 10. 342 10. 406 1. 00 32. 25 atoms 4524 O HOH 827 5. 149 5. 654 13. 265 1. 00 31. 34 atoms 4525 O HOH 828 6. 416 -8. 088 20. 222 1. 00 49. 34 atoms 4526 O HOH 829 -1. 858 -3. 132 18. 913 1. 00 33. 22 atoms 4527 O HOH 830 11. 873 9. 162 4. 510 1. 00 29. 62 atoms 4528 O HOH 831 19. 232 -5. 660 17. 559 1. 00 26. 97 atoms 4529 O HOH 832 12. 983 -8. 915 15. 306 1. 00 41. 69 atoms 4530 O HOH 833 18. 416 -11. 585 21. 008 1. 00 35. 22 atoms 4531 O HOH 834 22. 507 -3. 262 33. 451 1. 00 77. 42 atoms 4532 O HOH 835 26. 191 -1. 017 24. 576 1. 00 26. 33 atoms 4533 O HOH 836 36. 425 -0. 682 16. 799 1. 00 25. 51 atoms 4534 O HOH 837 36. 167 2. 136 19. 428 1. 00 35. 47 atoms 4535 O HOH 838 31. 892 -9. 361 18. 329 1. 00 38. 04 atom 4536 O HOH 839 29. 958 0. 247 50. 234 1. 00 39. 65 atoms 4537 O HOH 840 25. 664 -2. 880 45. 446 1. 00 25. 56 atoms 4538 O HOH 841 28. 111 -11. 787 23. 722 1. 00 20. 36 atoms 4539 O HOH 842 25. 802 -13. 741 20. 864 1. 00 48. 90 atoms 4540 O HOH 843 66. 721 -13. 408 27. 755 1. 00 46. 58 atoms 4541 O HOH 844 64. 307 -3. 316 36. 898 1. 00 35. 37 atoms 4542 O HOH 845 65. 583 -0. 436 36. 938 1. 00 37. 85 atoms 4543 O HOH 846 41. 048 -10. 431 50. 836 1. 00 29. 82 atoms 4544 O HOH 847 41. 737 18. 341 25. 701 1. 00 64. 44 atoms 4545 O HOH 848 30. 918 -2. 921 -11. 856 1. 00 30. 43 atoms 4546 O HOH 849 51. 446 22. 839 17. 216 1. 00 43. 87 atoms 4547 O HOH 850 60. 785 2. 614 -0. 874 1. 00 35. 10 atoms 4548 O HOH 851 56. 838 -0. 895 2. 586 1. 00 49. 62 atoms 4549 O HOH 852 47. 396 10. 491 -8. 843 1. 00 52. 54 atoms 4550 O HOH 853 38. 574 -14. 690 4. 444 1. 00 30. 06 atom 4551 O HOH 854 18. 756 -0. 542 39. 542 1. 00 39. 05 atom 4552 O HOH 855 29. 513 29. 579 6. 595 1. 00 36. 41 atoms 4553 O HOH 856 32. 813 33. 195 8. 357 1. 00 28. 63 atoms 4554 O HOH 857 40. 705 7. 094 -13. 994 1. 00 29. 74 atoms 4555 O HOH 858 50. 499 1. 421 -2. 924 1. 00 31. 42 atoms 4556 O HOH 859 47. 470 0. 293 -15. 630 1. 00 26. 52 atoms 4557 O HOH 860 46. 826 -4. 091 15. 608 1. 00 27. 08 atom 4558 O HOH 861 43. 465 -1. 915 20. 388 1. 00 50. 46 atoms 4559 O HOH 862 39. 396 -8. 251 42. 274 1. 00 25. 43 atoms 4560 O HOH 863 62. 025 -4. 244 31. 799 1. 00 24. 26 atoms 4561 O HOH 864 51. 328 10. 747 31. 485 1. 00 32. 16 atoms 4562 O HOH 865 35. 283 7. 979 42. 362 1. 00 38. 81 atoms 4563 O HOH 866 57. 095 -18. 565 40. 803 1. 00 52. 30 atoms 4564 O HOH 867 58. 155 -2. 683 46. 266 1. 00 22. 74 atoms 4565 O HOH 868 48. 057 20. 382 -12. 222 1. 00 50. 35 atoms 4566 O HOH 869 49. 547 0. 925 0. 838 1. 00 51. 45 atoms 4567 O HOH 870 46. 392 4. 053 4. 644 1. 00 50. 25 atoms 4568 O HOH 871 17. 601 15. 375 19. 352 1. 00 65. 08 atom 4569 O HOH 872 4. 479 9. 329 31. 775 1. 00 36. 17 atoms 4570 O HOH 873 22. 319 18. 788 -0. 495 1. 00 24. 87 atoms 4571 O HOH 874 35. 839 30. 245 -0. 342 1. 00 48. 51 atoms 4572 O HOH 875 48. 453 2. 849 -6. 547 1. 00 33. 73 atoms 4573 O HOH 876 0. 605 7. 424 25. 945 1. 00 39. 41 atoms 4574 O HOH 877 2. 396 -3. 829 13. 234 1. 00 30. 89 atoms 4575 O HOH 878 14. 152 -2. 287 5. 419 1. 00 18. 22 atoms 4576 O HOH 879 35. 704 -8. 865 16. 297 1. 00 31. 23 atoms 4577 O HOH 880 47. 890 11. 218 33. 219 1. 00 51. 93 atoms 4578 O HOH 881 35. 361 8. 156 33. 971 1. 00 47. 66 atoms 4579 O HOH 882 40. 052 7. 610 41. 373 1. 00 36. 84 atoms 4580 O HOH 883 56. 929 -15. 208 46. 351 1. 00 55. 62 atoms 4581 O HOH 884 52. 052 -0. 414 49. 836 1. 00 55. 41

[0064]

[Table 3] Table 3 Atomic type No. X Y Z Occ B Atom 1 CB SER 1 -0. 472 36. 318 37. 903 1. 00 39. 80 atoms 2 OG SER 1 0. 927 36. 299 37. 658 1. 00 43. 45 atoms 3 C SER 1 -0. 592 34. 149 36. 651 1. 00 36. 40 atoms 4 O SER 1 0. 320 33. 337 36. 680 1. 00 35. 78 atoms 5 N SER 1 -0. 777 34. 227 39. 141 1. 00 38. 06 atom 6 CA SER 1 -1. 083 34. 914 37. 872 1. 00 36. 88 atoms 7 N MET 2 -1. 243 34. 411 35. 532 1. 00 36. 57 atoms 8 CA MET 2 -0. 922 33. 825 34. 250 1. 00 36. 47 atoms 9 CB MET 2 -2. 049 34. 140 33. 254 1. 00 34. 39 atoms 10 CG MET 2 -3. 375 33. 528 33. 693 1. 00 34. 97 atoms 11 SD MET 2 -3. 304 31. 708 33. 770 1. 00 36. 74 atoms 12 CE MET 2 -3. 074 31. 335 32. 043 1. 00 32. 43 atoms 13 C MET 2 0. 423 34. 384 33. 775 1. 00 37. 18 atoms 14 O MET 2 0. 657 35. 595 33. 779 1. 00 36. 40 atoms 15 N SER 3 1. 297 33. 489 33. 332 1. 00 36. 77 atoms 16 CA SER 3 2. 584 33. 855 32. 778 1. 00 37. 83 atoms 17 CB SER 3 3. 395 32. 599 32. 438 1. 00 36. 10 atoms 18 OG SER 3 2. 772 31. 910 31. 367 1. 00 34. 54 atoms 19 C SER 3 2. 375 34. 683 31. 518 1. 00 38. 41 atoms 20 O SER 3 3. 198 35. 511 31. 134 1. 00 39. 16 atoms 21 N TYR 4 1. 350 34. 380 30. 737 1. 00 38. 61 atoms 22 CA TYR 4 1. 031 35. 093 29. 512 1. 00 39. 70 atoms 23 CB TYR 4 1. 606 34. 437 28. 268 1. 00 40. 36 atoms 24 CG TYR 4 3. 109 34. 438 28. 099 1. 00 42. 35 atoms 25 CD1 TYR 4 3. 896 33. 421 28. 635 1. 00 41. 85 atoms 26 CE1 TYR 4 5. 267 33. 433 28. 488 1. 00 42. 19 atoms 27 CD2 TYR 4 3. 747 35. 449 27. 382 1. 00 43. 13 atoms 28 CE2 TYR 4 5. 120 35. 460 27. 218 1. 00 42. 63 atoms 29 CZ TYR 4 5. 873 34. 443 27. 774 1. 00 41. 86 atoms 30 OH TYR 4 7. 236 34. 448 27. 621 1. 00 40. 75 atoms 31 C TYR 4 -0. 496 35. 212 29. 368 1. 00 39. 55 atoms 32 O TYR 4 -1. 275 34. 457 29. 932 1. 00 39. 12 atoms 33 N THR 5 -0. 939 36. 220 28. 660 1. 00 39. 23 atoms 34 CA THR 5 -2. 335 36. 497 28. 358 1. 00 40. 53 atoms 35 CB THR 5 -2. 938 37. 630 29. 184 1. 00 38. 69 atoms 36 OG1 THR 5 -3. 046 37. 279 30. 571 1. 00 34. 93 atoms 37 CG2 THR 5 -4. 318 37. 999 28. 669 1. 00 38. 43 atoms 38 C THR 5 -2. 236 36. 839 26. 867 1. 00 41. 97 atoms 39 O THR 5 -1. 393 37. 692 26. 558 1. 00 42. 83 atoms 40 N TRP 6 -2. 900 36. 119 25. 992 1. 00 42. 95 atoms 41 CA TRP 6 -2. 730 36. 317 24. 558 1. 00 44. 74 atoms 42 CB TRP 6 -2. 542 34. 966 23. 842 1. 00 43. 82 atoms 43 CG TRP 6 -1. 352 34. 227 24. 390 1. 00 43. 63 atoms 44 CD2 TRP 6 0. 023 34. 517 24. 113 1. 00 43. 11 atoms 45 CE2 TRP 6 0. 797 33. 594 24. 849 1. 00 44. 18 atoms 46 CE3 TRP 6 0. 678 35. 449 23. 304 1. 00 42. 40 atoms 47 CD1 TRP 6 -1. 363 33. 201 25. 284 1. 00 43. 73 atoms 48 NE1 TRP 6 -0. 078 32. 803 25. 557 1. 00 45. 01 atom 49 CZ2 TRP 6 2. 194 33. 578 24. 807 1. 00 41. 91 atoms 50 CZ3 TRP 6 2. 069 35. 433 23. 262 1. 00 43. 17 atoms 51 CH2 TRP 6 2. 809 34. 510 24. 016 1. 00 41. 02 atom 52 C TRP 6 -3. 875 37. 090 23. 926 1. 00 46. 32 atoms 53 O TRP 6 -4. 998 37. 140 24. 420 1. 00 46. 84 atoms 54 N THR 7 -3. 579 37. 665 22. 768 1. 00 47. 47 atoms 55 CA THR 7 -4. 526 38. 536 22. 086 1. 00 48. 96 atoms 56 CB THR 7 -3. 702 39. 778 21. 658 1. 00 49. 60 atoms 57 OG1 THR 7 -4. 344 40. 976 22. 089 1. 00 50. 99 atoms 58 CG2 THR 7 -3. 446 39. 832 20. 169 1. 00 47. 40 atoms 59 C THR 7 -5. 233 37. 927 20. 894 1. 00 49. 38 atoms 60 O THR 7 -6. 376 38. 271 20. 585 1. 00 50. 13 atoms 61 N GLY 8 -4. 547 37. 056 20. 165 1. 00 49. 09 atom 62 CA GLY 8 -5. 109 36. 501 18. 931 1. 00 48. 71 atoms 63 C GLY 8 -4. 080 36. 756 17. 830 1. 00 48. 37 atoms 64 O GLY 8 -3. 783 35. 854 17. 062 1. 00 49. 34 atoms 65 N ALA 9 -3. 503 37. 951 17. 803 1. 00 48. 26 atoms 66 CA ALA 9 -2. 475 38. 279 16. 824 1. 00 48. 30 atoms 67 CB ALA 9 -1. 916 39. 665 17. 083 1. 00 47. 45 atoms 68 C ALA 9 -1. 376 37. 213 16. 879 1. 00 48. 57 atoms 69 O ALA 9 -0. 934 36. 800 17. 951 1. 00 48. 51 atoms 70 N LEU 10 -0. 976 36. 732 15. 713 1. 00 48. 18 atoms 71 CA LEU 10 0. 035 35. 704 15. 606 1. 00 48. 82 atoms 72 CB LEU 10 -0. 061 35. 030 14. 223 1. 00 48. 40 atoms 73 CG LEU 10 -1. 448 34. 465 13. 885 1. 00 47. 81 atoms 74 CD1 LEU 10 -1. 679 34. 402 12. 390 1. 00 46. 98 atoms 75 CD2 LEU 10 -1. 613 33. 082 14. 500 1. 00 48. 24 atoms 76 C LEU 10 1. 434 36. 285 15. 775 1. 00 49. 54 atoms 77 O LEU 10 1. 670 37. 491 15. 667 1. 00 49. 75 atoms 78 N ILE 11 2. 370 35. 380 16. 025 1. 00 49. 50 atoms 79 CA ILE 11 3. 778 35. 757 16. 123 1. 00 49. 29 atoms 80 CB ILE 11 4. 554 34. 893 17. 124 1. 00 45. 30 atoms 81 CG2 ILE 11 6. 051 35. 167 17. 055 1. 00 42. 68 atoms 82 CG1 ILE 11 3. 964 35. 199 18. 499 1. 00 42. 36 atoms 83 CD1 ILE 11 4. 247 34. 188 19. 568 1. 00 41. 57 atoms 84 C ILE 11 4. 322 35. 582 14. 708 1. 00 50. 19 atoms 85 O ILE 11 4. 488 34. 465 14. 233 1. 00 50. 42 atoms 86 N THR 12 4. 525 36. 699 14. 049 1. 00 51. 43 atoms 87 CA THR 12 4. 942 36. 697 12. 670 1. 00 53. 79 atoms 88 CB THR 12 4. 413 37. 972 11. 967 1. 00 52. 90 atoms 89 OG1 THR 12 5. 085 39. 115 12. 523 1. 00 51. 37 atoms 90 CG2 THR 12 2. 913 38. 058 12. 180 1. 00 52. 05 atom 91 C THR 12 6. 437 36. 686 12. 427 1. 00 56. 24 atoms 92 O THR 12 7. 232 37. 311 13. 124 1. 00 55. 82 atoms 93 N PRO 13 6. 780 36. 014 11. 335 1. 00 57. 99 atoms 94 CD PRO 13 5. 897 35. 269 10. 411 1. 00 58. 37 atoms 95 CA PRO 13 8. 161 35. 986 10. 881 1. 00 59. 97 atoms 96 CB PRO 13 8. 196 34. 742 10. 005 1. 00 59. 58 atoms 97 CG PRO 13 6. 835 34. 657 9. 409 1. 00 58. 45 atoms 98 C PRO 13 8. 371 37. 247 10. 051 1. 00 61. 93 atoms 99 O PRO 13 7. 380 37. 851 9. 628 1. 00 61. 46 atoms 100 N CYS 14 9. 614 37. 628 9. 826 1. 00 64. 47 atoms 101 CA CYS 14 9. 833 38. 792 8. 962 1. 00 68. 29 atoms 102 CB CYS 14 10. 793 39. 771 9. 607 1. 00 70. 08 atom 103 SG CYS 14 12. 293 38. 991 10. 257 1. 00 71. 95 atoms 104 C CYS 14 10. 335 38. 261 7. 621 1. 00 70. 31 atoms 105 O CYS 14 10. 042 38. 807 6. 560 1. 00 71. 30 atoms 106 N ALA 15 11. 052 37. 141 7. 692 1. 00 71. 65 atoms 107 CA ALA 15 11. 606 36. 497 6. 509 1. 00 72. 80 atoms 108 CB ALA 15 13. 129 36. 532 6. 571 1. 00 72. 78 atoms 109 C ALA 15 11. 126 35. 054 6. 367 1. 00 73. 30 atoms 110 O ALA 15 10. 694 34. 439 7. 341 1. 00 73. 61 atoms 111 N ALA 16 11. 194 34. 530 5. 146 1. 00 73. 43 atoms 112 CA ALA 16 10. 807 33. 145 4. 897 1. 00 73. 44 atoms 113 CB ALA 16 10. 812 32. 830 3. 413 1. 00 74. 24 atoms 114 C ALA 16 11. 786 32. 231 5. 638 1. 00 72. 96 atoms 115 O ALA 16 12. 990 32. 269 5. 413 1. 00 72. 72 atoms 116 N GLU 17 11. 258 31. 448 6. 559 1. 00 72. 63 atoms 117 CA GLU 17 12. 042 30. 526 7. 366 1. 00 72. 40 atoms 118 CB GLU 17 11. 392 30. 394 8. 747 1. 00 70. 45 atoms 119 CG GLU 17 10. 858 31. 696 9. 331 1. 00 67. 97 atoms 120 CD GLU 17 9. 677 31. 473 10. 256 1. 00 66. 73 atoms 121 OE1 GLU 17 8. 531 31. 389 9. 766 1. 00 67. 03 atom 122 OE2 GLU 17 9. 866 31. 379 11. 481 1. 00 65. 53 atoms 123 C GLU 17 12. 104 29. 155 6. 697 1. 00 72. 58 atoms 124 O GLU 17 11. 043 28. 578 6. 433 1. 00 72. 64 atoms 125 N GLU 18 13. 297 28. 654 6. 398 1. 00 72. 52 atoms 126 CA GLU 18 13. 399 27. 331 5. 775 1. 00 72. 92 atoms 127 CB GLU 18 14. 647 27. 182 4. 922 1. 00 72. 56 atoms 128 CG GLU 18 14. 654 27. 982 3. 635 1. 00 72. 95 atoms 129 CD GLU 18 13. 523 27. 640 2. 687 1. 00 73. 36 atoms 130 OE1 GLU 18 12. 915 26. 554 2. 803 1. 00 73. 08 Atomic 131 OE2 GLU 18 13. 245 28. 495 1. 819 1. 00 73. 29 atoms 132 C GLU 18 13. 364 26. 269 6. 867 1. 00 73. 09 atom 133 O GLU 18 13. 788 26. 584 7. 979 1. 00 72. 95 atoms 134 N SER 19 12. 863 25. 073 6. 572 1. 00 73. 60 atoms 135 CA SER 19 12. 776 24. 043 7. 601 1. 00 74. 00 atom 136 CB SER 19 11. 312 23. 900 8. 038 1. 00 73. 40 atoms 137 OG SER 19 10. 474 23. 561 6. 952 1. 00 73. 41 atom 138 C SER 19 13. 304 22. 669 7. 226 1. 00 74. 74 atoms 139 O SER 19 13. 405 21. 802 8. 100 1. 00 74. 11 atoms 140 N LYS 20 13. 659 22. 448 5. 969 1. 00 75. 90 atoms 141 CA LYS 20 14. 167 21. 136 5. 564 1. 00 77. 54 atoms 142 CB LYS 20 13. 161 20. 477 4. 633 1. 00 78. 75 atoms 143 CG LYS 20 12. 981 18. 984 4. 755 1. 00 81. 11 atoms 144 CD LYS 20 12. 326 18. 509 6. 040 1. 00 82. 87 atoms 145 CE LYS 20 13. 347 17. 985 7. 035 1. 00 83. 93 atoms 146 NZ LYS 20 12. 768 17. 017 8. 007 1. 00 83. 21 atoms 147 C LYS 20 15. 564 21. 262 4. 973 1. 00 78. 02 atom 148 O LYS 20 15. 925 22. 262 4. 360 1. 00 77. 75 atoms 149 N LEU 21 16. 406 20. 279 5. 263 1. 00 79. 33 atoms 150 CA LEU 21 17. 784 20. 247 4. 790 1. 00 81. 02 atom 151 CB LEU 21 18. 519 19. 090 5. 434 1. 00 79. 55 atoms 152 CG LEU 21 19. 932 19. 216 5. 969 1. 00 78. 49 atoms 153 CD1 LEU 21 20. 464 17. 819 6. 265 1. 00 77. 56 atoms 154 CD2 LEU 21 20. 872 19. 994 5. 076 1. 00 78. 06 Atomic 155 C LEU 21 17. 749 20. 071 3. 274 1. 00 82. 89 atoms 156 O LEU 21 17. 162 19. 110 2. 789 1. 00 82. 63 atoms 157 N PRO 22 18. 365 20. 990 2. 551 1. 00 84. 77 atoms 158 CD PRO 22 19. 074 22. 168 3. 118 1. 00 85. 14 atoms 159 CA PRO 22 18. 403 20. 969 1. 106 1. 00 86. 53 atoms 160 CB PRO 22 19. 129 22. 266 0. 760 1. 00 86. 09 Atom 161 CG PRO 22 19. 912 22. 637 1. 961 1. 00 85. 74 atoms 162 C PRO 22 19. 128 19. 792 0. 480 1. 00 88. 37 atoms 163 O PRO 22 19. 907 19. 069 1. 103 1. 00 88. 95 atoms 164 N ILE 23 18. 892 19. 596 -0. 814 1. 00 90. 04 atom 165 CA ILE 23 19. 504 18. 531 -1. 601 1. 00 91. 20 atoms 166 CB ILE 23 18. 624 18. 197 -2. 820 1. 00 91. 67 atoms 167 CG2 ILE 23 19. 190 17. 015 -3. 594 1. 00 92. 15 atoms 168 CG1 ILE 23 17. 181 17. 929 -2. 387 1. 00 91. 61 atoms 169 CD1 ILE 23 16. 983 16. 798 -1. 405 1. 00 91. 74 atoms 170 C ILE 23 20. 905 18. 936 -2. 043 1. 00 91. 77 atoms 171 O ILE 23 21. 098 19. 513 -3. 112 1. 00 91. 80 atoms 172 N ASN 24 21. 889 18. 647 -1. 196 1. 00 92. 21 atom 173 CA ASN 24 23. 277 18. 997 -1. 466 1. 00 92. 31 atom 174 CB ASN 24 23. 737 20. 109 -0. 524 1. 00 94. 23 atoms 175 CG ASN 24 25. 223 20. 382 -0. 563 1. 00 95. 58 atoms 176 OD1 ASN 24 25. 890 20. 202 -1. 584 1. 00 96. 47 atoms 177 ND2 ASN 24 25. 764 20. 818 0. 567 1. 00 96. 25 atoms 178 C ASN 24 24. 191 17. 783 -1. 348 1. 00 91. 74 atoms 179 O ASN 24 24. 074 16. 955 -0. 447 1. 00 91. 73 atoms 180 N ALA 25 25. 150 17. 712 -2. 268 1. 00 90. 74 atoms 181 CA ALA 25 26. 105 16. 617 -2. 308 1. 00 89. 35 atoms 182 CB ALA 25 26. 779 16. 552 -3. 672 1. 00 90. 14 atoms 183 C ALA 25 27. 152 16. 711 -1. 207 1. 00 88. 10 atoms 184 O ALA 25 27. 636 15. 669 -0. 755 1. 00 88. 08 atom 185 N LEU 26 27. 491 17. 917 -0. 763 1. 00 86. 59 atoms 186 CA LEU 26 28. 478 18. 075 0. 304 1. 00 84. 50 atoms 187 CB LEU 26 29. 138 19. 445 0. 243 1. 00 85. 13 atoms 188 CG LEU 26 30. 578 19. 586 0. 748 1. 00 85. 62 atoms 189 CD1 LEU 26 31. 520 18. 619 0. 033 1. 00 86. 28 atoms 190 CD2 LEU 26 31. 073 21. 011 0. 482 1. 00 85. 78 atoms 191 C LEU 26 27. 849 17. 800 1. 667 1. 00 82. 81 atoms 192 O LEU 26 28. 544 17. 366 2. 589 1. 00 82. 13 atoms 193 N SER 27 26. 541 18. 014 1. 793 1. 00 81. 07 atom 194 CA SER 27 25. 827 17. 749 3. 031 1. 00 78. 89 atoms 195 CB SER 27 24. 477 18. 450 3. 082 1. 00 79. 48 atoms 196 OG SER 27 23. 510 17. 798 2. 275 1. 00 80. 57 atoms 197 C SER 27 25. 611 16. 249 3. 205 1. 00 77. 65 atoms 198 O SER 27 25. 787 15. 723 4. 308 1. 00 77. 29 atoms 199 N ASN 28 25. 314 15. 537 2. 110 1. 00 75. 91 atoms 200 CA ASN 28 25. 118 14. 090 2. 180 1. 00 74. 01 atom 201 CB ASN 28 24. 601 13. 464 0. 892 1. 00 77. 84 atoms 202 CG ASN 28 25. 639 12. 937 -0. 073 1. 00 80. 62 atoms 203 OD1 ASN 28 26. 330 11. 939 0. 167 1. 00 82. 15 atoms 204 ND2 ASN 28 25. 778 13. 604 -1. 216 1. 00 81. 65 atoms 205 C ASN 28 26. 410 13. 405 2. 617 1. 00 71. 58 atoms 206 O ASN 28 26. 422 12. 379 3. 291 1. 00 71. 16 atoms 207 N SER 29 27. 545 13. 972 2. 236 1. 00 69. 48 atoms 208 CA SER 29 28. 874 13. 531 2. 610 1. 00 66. 84 atoms 209 CB SER 29 29. 894 14. 580 2. 152 1. 00 67. 30 atoms 210 OG SER 29 31. 223 14. 100 2. 189 1. 00 67. 93 atoms 211 C SER 29 28. 989 13. 314 4. 119 1. 00 64. 86 atoms 212 O SER 29 29. 578 12. 319 4. 553 1. 00 64. 88 atoms 213 N LEU 30 28. 429 14. 214 4. 921 1. 00 61. 99 atoms 214 CA LEU 30 28. 437 14. 096 6. 363 1. 00 59. 28 atoms 215 CB LEU 30 28. 273 15. 469 7. 011 1. 00 57. 26 atoms 216 CG LEU 30 29. 093 15. 827 8. 247 1. 00 55. 69 atoms 217 CD1 LEU 30 28. 493 17. 089 8. 879 1. 00 55. 27 atoms 218 CD2 LEU 30 29. 189 14. 727 9. 280 1. 00 53. 50 atoms 219 C LEU 30 27. 358 13. 153 6. 882 1. 00 57. 55 atoms 220 O LEU 30 27. 716 12. 215 7. 592 1. 00 57. 89 atoms 221 N LEU 31 26. 077 13. 390 6. 639 1. 00 56. 00 atom 222 CA LEU 31 25. 061 12. 453 7. 152 1. 00 54. 63 atoms 223 CB LEU 31 24. 421 12. 925 8. 442 1. 00 52. 22 atoms 224 CG LEU 31 23. 524 14. 157 8. 464 1. 00 50. 49 atoms 225 CD1 LEU 31 22. 123 13. 818 7. 970 1. 00 48. 56 atoms 226 CD2 LEU 31 23. 460 14. 755 9. 864 1. 00 48. 41 atoms 227 C LEU 31 24. 066 12. 167 6. 030 1. 00 53. 76 atoms 228 O LEU 31 23. 695 13. 079 5. 290 1. 00 53. 21 atoms 229 N ALA 32 23. 686 10. 906 5. 890 1. 00 53. 25 atoms 230 CA ALA 32 22. 805 10. 470 4. 817 1. 00 52. 62 atoms 231 CB ALA 32 23. 105 9. 008 4. 481 1. 00 51. 97 atoms 232 C ALA 32 21. 333 10. 628 5. 143 1. 00 52. 49 atoms 233 O ALA 32 20. 537 10. 911 4. 239 1. 00 52. 30 atoms 234 N HIS 33 20. 935 10. 485 6. 408 1. 00 52. 12 atoms 235 CA HIS 33 19. 525 10. 623 6. 760 1. 00 52. 10 atoms 236 CB HIS 33 19. 203 9. 853 8. 038 1. 00 50. 55 atoms 237 CG HIS 33 19. 707 8. 450 8. 102 1. 00 49. 72 atoms 238 CD2 HIS 33 19. 745 7. 574 9. 139 1. 00 48. 19 atoms 239 ND1 HIS 33 20. 228 7. 780 7. 014 1. 00 49. 49 atoms 240 CE1 HIS 33 20. 573 6. 560 7. 392 1. 00 49. 32 atoms 241 NE2 HIS 33 20. 290 6. 412 8. 677 1. 00 47. 18 atoms 242 C HIS 33 19. 099 12. 078 6. 906 1. 00 52. 75 atoms 243 O HIS 33 18. 701 12. 544 7. 978 1. 00 52. 91 atoms 244 N HIS 34 19. 087 12. 840 5. 824 1. 00 53. 30 atoms 245 CA HIS 34 18. 733 14. 242 5. 790 1. 00 54. 14 atoms 246 CB HIS 34 18. 958 14. 814 4. 389 1. 00 55. 06 Atomic 247 CG HIS 34 18. 052 14. 209 3. 361 1. 00 56. 41 atom 248 CD2 HIS 34 16. 742 14. 415 3. 093 1. 00 57. 74 atoms 249 ND1 HIS 34 18. 477 13. 263 2. 455 1. 00 56. 68 atoms 250 CE1 HIS 34 17. 470 12. 913 1. 677 1. 00 57. 31 atom 251 NE2 HIS 34 16. 400 13. 591 2. 046 1. 00 57. 46 atoms 252 C HIS 34 17. 299 14. 514 6. 218 1. 00 54. 70 atoms 253 O HIS 34 16. 991 15. 575 6. 769 1. 00 54. 03 atom 254 N ASN 35 16. 401 13. 544 6. 042 1. 00 54. 88 atoms 255 CA ASN 35 15. 019 13. 695 6. 444 1. 00 55. 81 atoms 256 CB ASN 35 14. 130 12. 520 6. 023 1. 00 57. 87 atoms 257 CG ASN 35 13. 729 12. 545 4. 567 1. 00 59. 00 atom 258 OD1 ASN 35 13. 223 13. 553 4. 066 1. 00 59. 97 atoms 259 ND2 ASN 35 13. 963 11. 422 3. 901 1. 00 59. 90 atoms 260 C ASN 35 14. 813 13. 876 7. 943 1. 00 55. 51 atoms 261 O ASN 35 13. 693 14. 248 8. 318 1. 00 55. 52 atoms 262 N MET 36 15. 792 13. 604 8. 797 1. 00 55. 29 atoms 263 CA MET 36 15. 595 13. 787 10. 230 1. 00 54. 58 atoms 264 CB MET 36 16. 036 12. 540 10. 976 1. 00 53. 90 atoms 265 CG MET 36 17. 441 12. 040 10. 726 1. 00 55. 33 atoms 266 SD MET 36 17. 657 10. 292 11. 131 1. 00 53. 50 atoms 267 CE MET 36 16. 721 10. 170 12. 652 1. 00 53. 11 atoms 268 C MET 36 16. 218 15. 068 10. 765 1. 00 54. 43 atoms 269 O MET 36 16. 223 15. 320 11. 975 1. 00 53. 41 atom 270 N VAL 37 16. 733 15. 917 9. 880 1. 00 54. 25 atoms 271 CA VAL 37 17. 304 17. 206 10. 286 1. 00 54. 04 atom 272 CB VAL 37 18. 595 17. 558 9. 540 1. 00 52. 81 atoms 273 CG1 VAL 37 19. 191 18. 894 9. 947 1. 00 51. 32 atoms 274 CG2 VAL 37 19. 626 16. 459 9. 796 1. 00 52. 64 atoms 275 C VAL 37 16. 229 18. 257 10. 025 1. 00 53. 96 atoms 276 O VAL 37 15. 707 18. 243 8. 908 1. 00 54. 73 atoms 277 N TYR 38 15. 873 19. 073 11. 010 1. 00 53. 59 atoms 278 CA TYR 38 14. 809 20. 051 10. 757 1. 00 52. 71 atoms 279 CB TYR 38 13. 479 19. 447 11. 198 1. 00 52. 45 atoms 280 CG TYR 38 13. 317 19. 347 12. 697 1. 00 53. 31 atoms 281 CD1 TYR 38 12. 697 20. 357 13. 427 1. 00 52. 98 atoms 282 CE1 TYR 38 12. 551 20. 263 14. 799 1. 00 52. 88 atoms 283 CD2 TYR 38 13. 792 18. 242 13. 391 1. 00 53. 50 atoms 284 CE2 TYR 38 13. 635 18. 141 14. 763 1. 00 53. 26 atoms 285 CZ TYR 38 13. 022 19. 152 15. 465 1. 00 53. 19 atoms 286 OH TYR 38 12. 871 19. 052 16. 832 1. 00 52. 72 atoms 287 C TYR 38 15. 069 21. 381 11. 446 1. 00 51. 93 atoms 288 O TYR 38 15. 951 21. 468 12. 307 1. 00 52. 29 atoms 289 N ALA 39 14. 279 22. 392 11. 097 1. 00 50. 25 atoms 290 CA ALA 39 14. 440 23. 702 11. 723 1. 00 49. 26 atoms 291 CB ALA 39 15. 096 24. 669 10. 761 1. 00 45. 03 atom 292 C ALA 39 13. 111 24. 247 12. 241 1. 00 49. 15 atoms 293 O ALA 39 12. 069 24. 102 11. 619 1. 00 49. 04 atom 294 N THR 40 13. 140 24. 859 13. 420 1. 00 48. 90 atoms 295 CA THR 40 11. 977 25. 487 14. 010 1. 00 48. 54 atoms 296 CB THR 40 12. 243 25. 928 15. 463 1. 00 48. 35 atoms 297 OG1 THR 40 13. 371 26. 808 15. 563 1. 00 48. 45 atoms 298 CG2 THR 40 12. 479 24. 730 16. 373 1. 00 45. 92 atoms 299 C THR 40 11. 582 26. 698 13. 161 1. 00 48. 73 atoms 300 O THR 40 12. 460 27. 366 12. 611 1. 00 48. 50 atoms 301 N THR 41 10. 292 26. 922 12. 948 1. 00 48. 44 atoms 302 CA THR 41 9. 792 28. 058 12. 204 1. 00 48. 28 atoms 303 CB THR 41 9. 183 27. 844 10. 806 1. 00 48. 31 atom 304 OG1 THR 41 7. 903 27. 197 10. 961 1. 00 44. 40 atoms 305 CG2 THR 41 10. 089 27. 066 9. 870 1. 00 49. 21 atoms 306 C THR 41 8. 641 28. 663 13. 032 1. 00 47. 97 atoms 307 O THR 41 8. 184 28. 107 14. 021 1. 00 47. 57 atoms 308 N SER 42 8. 127 29. 765 12. 539 1. 00 47. 83 atoms 309 CA SER 42 6. 986 30. 482 13. 071 1. 00 48. 76 atoms 310 CB SER 42 6. 708 31. 659 12. 115 1. 00 50. 85 atoms 311 OG SER 42 6. 426 32. 845 12. 823 1. 00 53. 24 atoms 312 C SER 42 5. 723 29. 645 13. 189 1. 00 48. 46 atoms 313 O SER 42 4. 942 29. 828 14. 125 1. 00 48. 42 atoms 314 N ARG 43 5. 474 28. 667 12. 328 1. 00 48. 84 atoms 315 CA ARG 43 4. 312 27. 807 12. 327 1. 00 48. 83 atoms 316 CB ARG 43 4. 350 26. 805 11. 157 1. 00 50. 73 atoms 317 CG ARG 43 4. 431 27. 467 9. 791 1. 00 54. 10 atoms 318 CD ARG 43 5. 195 26. 586 8. 800 1. 00 55. 79 atoms 319 NE ARG 43 6. 033 27. 464 7. 979 1. 00 58. 33 atoms 320 CZ ARG 43 7. 260 27. 187 7. 564 1. 00 59. 19 atoms 321 NH1 ARG 43 7. 805 26. 025 7. 901 1. 00 60. 73 atoms 322 NH2 ARG 43 7. 931 28. 066 6. 828 1. 00 59. 48 atoms 323 C ARG 43 4. 104 27. 007 13. 602 1. 00 48. 20 atoms 324 O ARG 43 2. 968 26. 556 13. 832 1. 00 49. 47 atoms 325 N SER 44 5. 110 26. 779 14. 434 1. 00 46. 74 atoms 326 CA SER 44 4. 890 26. 045 15. 672 1. 00 45. 71 atoms 327 CB SER 44 5. 960 24. 983 15. 856 1. 00 45. 95 atoms 328 OG SER 44 7. 231 25. 490 16. 180 1. 00 47. 64 atoms 329 C SER 44 4. 809 26. 980 16. 871 1. 00 45. 68 atoms 330 O SER 44 4. 743 26. 565 18. 038 1. 00 45. 69 atoms 331 N ALA 45 4. 737 28. 284 16. 618 1. 00 44. 63 atoms 332 CA ALA 45 4. 626 29. 302 17. 647 1. 00 43. 46 atoms 333 CB ALA 45 4. 431 30. 671 16. 992 1. 00 45. 20 atoms 334 C ALA 45 3. 484 29. 026 18. 605 1. 00 42. 81 atoms 335 O ALA 45 3. 607 29. 072 19. 832 1. 00 42. 05 atom 336 N GLY 46 2. 316 28. 703 18. 035 1. 00 42. 83 atoms 337 CA GLY 46 1. 136 28. 394 18. 830 1. 00 41. 71 atoms 338 C GLY 46 1. 381 27. 236 19. 772 1. 00 41. 75 atoms 339 O GLY 46 0. 927 27. 218 20. 921 1. 00 42. 40 atoms 340 N LEU 47 2. 110 26. 215 19. 326 1. 00 42. 01 atom 341 CA LEU 47 2. 424 25. 067 20. 175 1. 00 41. 56 atoms 342 CB LEU 47 3. 123 23. 988 19. 373 1. 00 43. 61 atoms 343 CG LEU 47 2. 332 22. 847 18. 748 1. 00 45. 80 atoms 344 CD1 LEU 47 0. 856 23. 168 18. 590 1. 00 47. 20 atoms 345 CD2 LEU 47 2. 930 22. 494 17. 388 1. 00 46. 43 atoms 346 C LEU 47 3. 281 25. 488 21. 357 1. 00 41. 27 atoms 347 O LEU 47 3. 053 25. 028 22. 477 1. 00 40. 42 atoms 348 N ARG 48 4. 232 26. 389 21. 104 1. 00 41. 50 atoms 349 CA ARG 48 5. 112 26. 899 22. 149 1. 00 41. 92 atoms 350 CB ARG 48 6. 274 27. 674 21. 523 1. 00 44. 19 atoms 351 CG ARG 48 7. 347 28. 133 22. 505 1. 00 44. 56 atoms 352 CD ARG 48 8. 174 26. 939 22. 966 1. 00 45. 68 atoms 353 NE ARG 48 8. 853 27. 215 24. 210 1. 00 47. 69 atoms 354 CZ ARG 48 9. 410 26. 331 25. 028 1. 00 49. 16 atoms 355 NH1 ARG 48 9. 380 25. 034 24. 746 1. 00 48. 49 atoms 356 NH2 ARG 48 9. 992 26. 796 26. 136 1. 00 48. 32 atoms 357 C ARG 48 4. 343 27. 771 23. 131 1. 00 42. 13 atoms 358 O ARG 48 4. 549 27. 800 24. 350 1. 00 41. 64 atoms 359 N GLN 49 3. 364 28. 505 22. 599 1. 00 42. 92 atoms 360 CA GLN 49 2. 523 29. 374 23. 418 1. 00 43. 03 atom 361 CB GLN 49 1. 561 30. 183 22. 550 1. 00 43. 25 atoms 362 CG GLN 49 2. 244 31. 328 21. 818 1. 00 44. 34 atoms 363 CD GLN 49 1. 242 32. 087 20. 969 1. 00 45. 10 atoms 364 OE1 GLN 49 0. 585 33. 009 21. 441 1. 00 44. 29 atoms 365 NE2 GLN 49 1. 118 31. 697 19. 705 1. 00 46. 35 atoms 366 C GLN 49 1. 742 28. 580 24. 456 1. 00 43. 20 atoms 367 O GLN 49 1. 676 28. 974 25. 629 1. 00 41. 94 atoms 368 N LYS 50 1. 156 27. 463 24. 011 1. 00 43. 29 atoms 369 CA LYS 50 0. 391 26. 629 24. 939 1. 00 44. 77 atoms 370 CB LYS 50 -0. 279 25. 442 24. 254 1. 00 47. 32 atoms 371 CG LYS 50 -1. 033 24. 516 25. 199 1. 00 50. 97 atoms 372 CD LYS 50 -2. 022 23. 624 24. 455 1. 00 55. 32 atoms 373 CE LYS 50 -3. 056 23. 032 25. 404 1. 00 57. 88 atoms 374 NZ LYS 50 -4. 351 22. 748 24. 715 1. 00 59. 50 atoms 375 C LYS 50 1. 276 26. 160 26. 092 1. 00 44. 30 atoms 376 O LYS 50 0. 921 26. 325 27. 258 1. 00 43. 80 atoms 377 N LYS 51 2. 449 25. 623 25. 769 1. 00 44. 24 atoms 378 CA LYS 51 3. 389 25. 142 26. 766 1. 00 44. 13 atoms 379 CB LYS 51 4. 618 24. 490 26. 111 1. 00 46. 99 atoms 380 CG LYS 51 5. 474 23. 712 27. 114 1. 00 49. 28 atoms 381 CD LYS 51 6. 606 22. 970 26. 418 1. 00 51. 45 atoms 382 CE LYS 51 7. 582 22. 358 27. 401 1. 00 51. 69 atoms 383 NZ LYS 51 8. 976 22. 274 26. 875 1. 00 52. 67 atoms 384 C LYS 51 3. 875 26. 203 27. 742 1. 00 43. 37 atoms 385 O LYS 51 3. 964 25. 892 28. 934 1. 00 42. 33 atoms 386 N VAL 52 4. 180 27. 422 27. 288 1. 00 42. 47 atoms 387 CA VAL 52 4. 672 28. 422 28. 236 1. 00 41. 76 atoms 388 CB VAL 52 5. 690 29. 374 27. 563 1. 00 40. 97 atoms 389 CG1 VAL 52 6. 842 28. 566 26. 982 1. 00 38. 70 atoms 390 CG2 VAL 52 5. 013 30. 271 26. 546 1. 00 39. 51 atoms 391 C VAL 52 3. 632 29. 267 28. 953 1. 00 40. 69 atoms 392 O VAL 52 3. 994 30. 180 29. 694 1. 00 40. 46 atoms 393 N THR 53 2. 351 29. 009 28. 775 1. 00 40. 57 atoms 394 CA THR 53 1. 281 29. 788 29. 365 1. 00 39. 05 Atomic 395 CB THR 53 0. 285 30. 247 28. 286 1. 00 37. 45 atoms 396 OG1 THR 53 0. 986 31. 005 27. 294 1. 00 36. 00 atom 397 CG2 THR 53 -0. 863 31. 066 28. 854 1. 00 34. 34 atoms 398 C THR 53 0. 544 28. 973 30. 414 1. 00 40. 24 atoms 399 O THR 53 -0. 090 27. 956 30. 137 1. 00 39. 97 atoms 400 N PHE 54 0. 668 29. 421 31. 661 1. 00 40. 35 atoms 401 CA PHE 54 0. 028 28. 730 32. 772 1. 00 40. 53 atoms 402 CB PHE 54 0. 741 27. 419 33. 082 1. 00 39. 02 Atomic 403 CG PHE 54 2. 216 27. 589 33. 348 1. 00 37. 12 atoms 404 CD1 PHE 54 2. 685 27. 847 34. 617 1. 00 36. 56 atoms 405 CD2 PHE 54 3. 123 27. 462 32. 308 1. 00 36. 96 atoms 406 CE1 PHE 54 4. 034 28. 017 34. 858 1. 00 37. 14 atoms 407 CE2 PHE 54 4. 482 27. 620 32. 524 1. 00 37. 52 atoms 408 CZ PHE 54 4. 928 27. 913 33. 799 1. 00 39. 42 atoms 409 C PHE 54 0. 027 29. 644 33. 993 1. 00 41. 16 atoms 410 O PHE 54 0. 771 30. 615 34. 060 1. 00 40. 63 atoms 411 N ASP 55 -0. 829 29. 317 34. 946 1. 00 42. 21 atom 412 CA ASP 55 -0. 924 30. 114 36. 162 1. 00 43. 50 atoms 413 CB ASP 55 -2. 286 29. 867 36. 806 1. 00 45. 47 atoms 414 CG ASP 55 -2. 538 30. 897 37. 886 1. 00 48. 38 atoms 415 OD1 ASP 55 -2. 462 30. 536 39. 073 1. 00 50. 47 atoms 416 OD2 ASP 55 -2. 794 32. 058 37. 521 1. 00 52. 46 atoms 417 C ASP 55 0. 225 29. 735 37. 089 1. 00 44. 10 atoms 418 O ASP 55 0. 533 28. 541 37. 199 1. 00 44. 96 atoms 419 N ARG 56 0. 886 30. 713 37. 683 1. 00 43. 47 atoms 420 CA ARG 56 1. 977 30. 419 38. 594 1. 00 43. 79 atoms 421 CB ARG 56 3. 200 31. 307 38. 415 1. 00 40. 17 atoms 422 CG ARG 56 4. 137 30. 963 37. 269 1. 00 38. 01 atom 423 CD ARG 56 3. 599 31. 432 35. 918 1. 00 35. 65 atoms 424 NE ARG 56 3. 148 32. 828 36. 030 1. 00 36. 10 atoms 425 CZ ARG 56 3. 947 33. 893 36. 057 1. 00 34. 55 atoms 426 NH1 ARG 56 5. 264 33. 729 35. 958 1. 00 31. 83 atoms 427 NH2 ARG 56 3. 419 35. 108 36. 182 1. 00 33. 37 atoms 428 C ARG 56 1. 443 30. 559 40. 025 1. 00 45. 01 atom 429 O ARG 56 0. 811 31. 541 40. 411 1. 00 45. 26 atoms 430 N LEU 57 1. 716 29. 537 40. 819 1. 00 45. 63 atoms 431 CA LEU 57 1. 332 29. 560 42. 231 1. 00 46. 04 atom 432 CB LEU 57 0. 370 28. 435 42. 561 1. 00 48. 09 atom 433 CG LEU 57 -0. 926 28. 822 43. 270 1. 00 48. 40 atoms 434 CD1 LEU 57 -1. 702 29. 835 42. 446 1. 00 47. 65 atoms 435 CD2 LEU 57 -1. 763 27. 573 43. 528 1. 00 48. 93 atoms 436 C LEU 57 2. 651 29. 388 42. 977 1. 00 45. 34 atoms 437 O LEU 57 3. 413 28. 495 42. 582 1. 00 47. 21 atoms 438 N GLN 58 2. 942 30. 268 43. 912 1. 00 43. 82 atoms 439 CA GLN 58 4. 248 30. 144 44. 560 1. 00 43. 34 atoms 440 CB GLN 58 5. 187 31. 190 43. 982 1. 00 42. 19 atoms 441 CG GLN 58 6. 488 31. 460 44. 721 1. 00 39. 25 atoms 442 CD GLN 58 7. 362 32. 418 43. 912 1. 00 37. 12 atoms 443 OE1 GLN 58 8. 485 32. 091 43. 537 1. 00 34. 57 atoms 444 NE2 GLN 58 6. 820 33. 596 43. 627 1. 00 35. 00 atom 445 C GLN 58 4. 061 30. 244 46. 059 1. 00 43. 03 atom 446 O GLN 58 3. 588 31. 271 46. 525 1. 00 43. 40 atoms 447 N VAL 59 4. 377 29. 151 46. 743 1. 00 41. 98 atoms 448 CA VAL 59 4. 274 29. 101 48. 183 1. 00 42. 02 atom 449 CB VAL 59 3. 437 27. 903 48. 677 1. 00 42. 96 atoms 450 CG1 VAL 59 3. 303 27. 942 50. 195 1. 00 41. 64 atoms 451 CG2 VAL 59 2. 080 27. 902 47. 985 1. 00 38. 98 atoms 452 C VAL 59 5. 680 29. 006 48. 767 1. 00 42. 52 atoms 453 O VAL 59 6. 373 28. 021 48. 533 1. 00 41. 65 atoms 454 N LEU 60 6. 068 30. 004 49. 543 1. 00 42. 60 atoms 455 CA LEU 60 7. 391 30. 023 50. 130 1. 00 43. 86 atoms 456 CB LEU 60 7. 970 31. 435 49. 975 1. 00 45. 44 atoms 457 CG LEU 60 7. 958 32. 047 48. 573 1. 00 45. 19 atoms 458 CD1 LEU 60 8. 240 33. 541 48. 674 1. 00 44. 60 atoms 459 CD2 LEU 60 8. 988 31. 441 47. 635 1. 00 45. 05 Atomic 460 C LEU 60 7. 436 29. 616 51. 592 1. 00 44. 33 atoms 461 O LEU 60 6. 433 29. 550 52. 287 1. 00 45. 34 atoms 462 N ASP 61 8. 647 29. 329 52. 061 1. 00 44. 64 atoms 463 CA ASP 61 8. 856 28. 889 53. 436 1. 00 44. 80 atoms 464 CB ASP 61 9. 066 27. 376 53. 544 1. 00 45. 10 atoms 465 CG ASP 61 9. 891 26. 785 52. 414 1. 00 47. 12 atoms 466 OD1 ASP 61 9. 279 25. 969 51. 681 1. 00 49. 15 atoms 467 OD2 ASP 61 11. 086 27. 118 52. 266 1. 00 43. 75 atoms 468 C ASP 61 10. 077 29. 571 54. 025 1. 00 44. 62 atoms 469 O ASP 61 10. 710 30. 383 53. 368 1. 00 44. 15 atoms 470 N ASP 62 10. 418 29. 205 55. 255 1. 00 44. 61 atom 471 CA ASP 62 11. 567 29. 744 55. 953 1. 00 44. 62 atoms 472 CB ASP 62 11. 575 29. 238 57. 403 1. 00 48. 07 Atom 473 CG ASP 62 10. 507 29. 864 58. 281 1. 00 52. 35 atoms 474 OD1 ASP 62 9. 967 30. 941 57. 935 1. 00 53. 35 atoms 475 OD2 ASP 62 10. 189 29. 281 59. 345 1. 00 54. 48 atoms 476 C ASP 62 12. 898 29. 394 55. 297 1. 00 44. 21 atoms 477 O ASP 62 13. 898 30. 093 55. 497 1. 00 43. 37 atoms 478 N HIS 63 12. 948 28. 269 54. 582 1. 00 43. 04 Atomic 479 CA HIS 63 14. 163 27. 816 53. 926 1. 00 42. 55 atoms 480 CB HIS 63 14. 024 26. 418 53. 340 1. 00 41. 62 atoms 481 CG HIS 63 14. 144 25. 314 54. 345 1. 00 42. 36 atoms 482 CD2 HIS 63 13. 461 24. 143 54. 473 1. 00 41. 51 atoms 483 ND1 HIS 63 15. 065 25. 329 55. 372 1. 00 41. 21 atoms 484 CE1 HIS 63 14. 956 24. 226 56. 085 1. 00 39. 97 atoms 485 NE2 HIS 63 13. 988 23. 488 55. 568 1. 00 40. 36 atoms 486 C HIS 63 14. 547 28. 830 52. 840 1. 00 41. 85 atoms 487 O HIS 63 15. 687 29. 286 52. 775 1. 00 40. 79 atoms 488 N TYR 64 13. 553 29. 190 52. 040 1. 00 40. 61 atoms 489 CA TYR 64 13. 711 30. 205 51. 012 1. 00 41. 03 atom 490 CB TYR 64 12. 373 30. 445 50. 344 1. 00 41. 17 atoms 491 CG TYR 64 12. 293 31. 446 49. 218 1. 00 41. 91 atoms 492 CD1 TYR 64 12. 546 31. 078 47. 902 1. 00 41. 84 atoms 493 CE1 TYR 64 12. 432 31. 984 46. 862 1. 00 42. 35 atoms 494 CD2 TYR 64 11. 918 32. 757 49. 457 1. 00 41. 85 atoms 495 CE2 TYR 64 11. 802 33. 676 48. 428 1. 00 42. 23 atoms 496 CZ TYR 64 12. 063 33. 284 47. 132 1. 00 42. 53 atoms 497 OH TYR 64 11. 965 34. 216 46. 133 1. 00 41. 63 atoms 498 C TYR 64 14. 222 31. 492 51. 674 1. 00 40. 73 atoms 499 O TYR 64 15. 320 31. 973 51. 423 1. 00 38. 94 atoms 500 N ARG 65 13. 433 31. 982 52. 625 1. 00 40. 55 atoms 501 CA ARG 65 13. 727 33. 172 53. 393 1. 00 40. 28 atoms 502 CB ARG 65 12. 651 33. 378 54. 476 1. 00 38. 44 atoms 503 CG ARG 65 11. 305 33. 752 53. 853 1. 00 38. 51 atoms 504 CD ARG 65 10. 210 33. 633 54. 908 1. 00 39. 11 atoms 505 NE ARG 65 8. 908 33. 501 54. 267 1. 00 38. 37 atoms 506 CZ ARG 65 7. 999 32. 601 54. 625 1. 00 37. 39 atoms 507 NH1 ARG 65 8. 270 31. 746 55. 603 1. 00 36. 19 atoms 508 NH2 ARG 65 6. 831 32. 542 54. 001 1. 00 36. 67 atoms 509 C ARG 65 15. 110 33. 179 54. 017 1. 00 40. 14 atoms 510 O ARG 65 15. 751 34. 238 53. 963 1. 00 39. 16 atoms 511 N ASP 66 15. 564 32. 075 54. 599 1. 00 40. 51 atoms 512 CA ASP 66 16. 892 32. 061 55. 203 1. 00 41. 32 atoms 513 CB ASP 66 17. 135 30. 838 56. 077 1. 00 44. 20 atoms 514 CG ASP 66 16. 252 30. 712 57. 293 1. 00 45. 90 atoms 515 OD1 ASP 66 15. 661 31. 724 57. 719 1. 00 47. 48 atoms 516 OD2 ASP 66 16. 157 29. 573 57. 806 1. 00 47. 90 atoms 517 C ASP 66 17. 982 32. 115 54. 130 1. 00 40. 88 atoms 518 O ASP 66 19. 035 32. 702 54. 361 1. 00 40. 92 atoms 519 N VAL 67 17. 750 31. 516 52. 961 1. 00 39. 84 atoms 520 CA VAL 67 18. 729 31. 536 51. 882 1. 00 38. 05 atom 521 CB VAL 67 18. 414 30. 468 50. 826 1. 00 37. 62 atoms 522 CG1 VAL 67 19. 327 30. 630 49. 612 1. 00 37. 66 atoms 523 CG2 VAL 67 18. 496 29. 060 51. 388 1. 00 33. 64 atoms 524 C VAL 67 18. 768 32. 926 51. 241 1. 00 37. 95 atoms 525 O VAL 67 19. 834 33. 459 50. 909 1. 00 36. 06 atom 526 N LEU 68 17. 596 33. 552 51. 148 1. 00 37. 45 atoms 527 CA LEU 68 17. 463 34. 886 50. 591 1. 00 38. 57 atoms 528 CB LEU 68 16. 009 35. 312 50. 459 1. 00 37. 68 atoms 529 CG LEU 68 15. 562 36. 269 49. 361 1. 00 38. 19 atoms 530 CD1 LEU 68 14. 223 36. 915 49. 722 1. 00 36. 22 atoms 531 CD2 LEU 68 16. 573 37. 351 49. 033 1. 00 39. 57 atoms 532 C LEU 68 18. 176 35. 899 51. 487 1. 00 39. 41 atoms 533 O LEU 68 18. 879 36. 792 51. 019 1. 00 38. 99 atoms 534 N LYS 69 18. 038 35. 727 52. 801 1. 00 39. 99 atoms 535 CA LYS 69 18. 680 36. 619 53. 765 1. 00 40. 29 atoms 536 CB LYS 69 18. 242 36. 283 55. 193 1. 00 44. 44 atoms 537 CG LYS 69 18. 492 37. 403 56. 187 1. 00 46. 87 atoms 538 CD LYS 69 18. 654 36. 869 57. 603 1. 00 50. 33 atoms 539 CE LYS 69 18. 959 38. 000 58. 583 1. 00 52. 00 atom 540 NZ LYS 69 19. 503 37. 478 59. 869 1. 00 51. 70 atoms 541 C LYS 69 20. 196 36. 507 53. 623 1. 00 39. 36 atoms 542 O LYS 69 20. 955 37. 482 53. 649 1. 00 37. 80 atoms 543 N GLU 70 20. 654 35. 264 53. 437 1. 00 38. 54 atoms 544 CA GLU 70 22. 088 35. 043 53. 229 1. 00 37. 60 atoms 545 CB GLU 70 22. 394 33. 556 53. 273 1. 00 37. 89 atoms 546 CG GLU 70 22. 067 32. 854 54. 577 1. 00 40. 36 atoms 547 CD GLU 70 22. 090 31. 341 54. 415 1. 00 43. 66 atoms 548 OE1 GLU 70 22. 539 30. 874 53. 336 1. 00 43. 89 atoms 549 OE2 GLU 70 21. 662 30. 622 55. 350 1. 00 44. 51 atoms 550 C GLU 70 22. 571 35. 674 51. 926 1. 00 36. 36 atoms 551 O GLU 70 23. 690 36. 190 51. 909 1. 00 36. 24 atoms 552 N MET 71 21. 775 35. 667 50. 864 1. 00 35. 24 atoms 553 CA MET 71 22. 157 36. 253 49. 583 1. 00 35. 02 atom 554 CB MET 71 21. 215 35. 808 48. 460 1. 00 31. 17 atom 555 CG MET 71 21. 230 34. 304 48. 229 1. 00 27. 39 atoms 556 SD MET 71 19. 954 33. 721 47. 123 1. 00 28. 75 atoms 557 CE MET 71 20. 529 34. 376 45. 543 1. 00 25. 70 atoms 558 C MET 71 22. 228 37. 774 49. 637 1. 00 35. 53 atoms 559 O MET 71 23. 190 38. 364 49. 118 1. 00 36. 06 Atomic 560 N LYS 72 21. 282 38. 400 50. 335 1. 00 35. 34 atoms 561 CA LYS 72 21. 287 39. 850 50. 480 1. 00 35. 57 atoms 562 CB LYS 72 19. 926 40. 327 50. 982 1. 00 35. 91 atoms 563 CG LYS 72 18. 845 40. 008 49. 952 1. 00 38. 77 atoms 564 CD LYS 72 17. 684 40. 961 49. 925 1. 00 39. 60 atoms 565 CE LYS 72 16. 566 40. 684 50. 896 1. 00 41. 24 atoms 566 NZ LYS 72 15. 271 41. 256 50. 404 1. 00 41. 43 atoms 567 C LYS 72 22. 452 40. 333 51. 325 1. 00 35. 53 atoms 568 O LYS 72 23. 041 41. 388 51. 061 1. 00 35. 89 atoms 569 N ALA 73 22. 887 39. 548 52. 307 1. 00 35. 15 atoms 570 CA ALA 73 24. 029 39. 893 53. 139 1. 00 34. 59 atoms 571 CB ALA 73 24. 129 38. 997 54. 353 1. 00 32. 33 atoms 572 C ALA 73 25. 314 39. 857 52. 308 1. 00 35. 26 atoms 573 O ALA 73 26. 144 40. 761 52. 448 1. 00 34. 70 atoms 574 N LYS 74 25. 450 38. 888 51. 398 1. 00 35. 03 atom 575 CA LYS 74 26. 622 38. 885 50. 533 1. 00 36. 44 atoms 576 CB LYS 74 26. 820 37. 552 49. 818 1. 00 40. 17 atoms 577 CG LYS 74 26. 601 36. 331 50. 689 1. 00 42. 89 atoms 578 CD LYS 74 27. 439 35. 132 50. 258 1. 00 45. 10 atoms 579 CE LYS 74 26. 789 33. 818 50. 693 1. 00 46. 50 atoms 580 NZ LYS 74 25. 392 33. 634 50. 179 1. 00 44. 34 atoms 581 C LYS 74 26. 535 40. 025 49. 514 1. 00 36. 36 atoms 582 O LYS 74 27. 524 40. 695 49. 197 1. 00 35. 71 atoms 583 N ALA 75 25. 314 40. 284 49. 033 1. 00 35. 85 atoms 584 CA ALA 75 25. 084 41. 332 48. 049 1. 00 35. 98 atoms 585 CB ALA 75 23. 638 41. 339 47. 578 1. 00 30. 21 atom 586 C ALA 75 25. 504 42. 678 48. 602 1. 00 36. 82 atoms 587 O ALA 75 26. 116 43. 503 47. 918 1. 00 37. 93 atoms 588 N SER 76 25. 272 42. 924 49. 888 1. 00 37. 57 atoms 589 CA SER 76 25. 602 44. 134 50. 605 1. 00 37. 59 atoms 590 CB SER 76 24. 977 44. 114 52. 010 1. 00 37. 62 atoms 591 OG SER 76 23. 552 44. 121 51. 919 1. 00 40. 32 atoms 592 C SER 76 27. 084 44. 445 50. 708 1. 00 37. 58 atoms 593 O SER 76 27. 446 45. 555 51. 136 1. 00 39. 39 atoms 594 N THR 77 27. 965 43. 567 50. 288 1. 00 36. 91 atoms 595 CA THR 77 29. 406 43. 791 50. 257 1. 00 36. 16 atoms 596 CB THR 77 30. 193 42. 504 50. 599 1. 00 33. 95 atoms 597 OG1 THR 77 30. 040 41. 601 49. 495 1. 00 35. 78 atoms 598 CG2 THR 77 29. 625 41. 864 51. 862 1. 00 32. 60 atoms 599 C THR 77 29. 841 44. 217 48. 858 1. 00 35. 36 atoms 600 O THR 77 30. 974 44. 657 48. 651 1. 00 35. 65 atoms 601 N VAL 78 28. 931 44. 110 47. 890 1. 00 34. 69 atoms 602 CA VAL 78 29. 254 44. 451 46. 499 1. 00 33. 38 atoms 603 CB VAL 78 28. 442 43. 546 45. 556 1. 00 30. 05 atom 604 CG1 VAL 78 28. 744 43. 788 44. 101 1. 00 27. 71 atom 605 CG2 VAL 78 28. 716 42. 086 45. 935 1. 00 30. 64 atoms 606 C VAL 78 29. 070 45. 919 46. 151 1. 00 33. 45 atoms 607 O VAL 78 28. 065 46. 552 46. 493 1. 00 33. 19 atoms 608 N LYS 79 30. 084 46. 465 45. 453 1. 00 32. 83 atoms 609 CA LYS 79 30. 019 47. 870 45. 037 1. 00 32. 01 atom 610 CB LYS 79 31. 137 48. 731 45. 608 1. 00 29. 97 atoms 611 CG LYS 79 30. 777 50. 201 45. 532 1. 00 33. 49 atoms 612 CD LYS 79 31. 912 51. 115 45. 141 1. 00 34. 72 atoms 613 CE LYS 79 31. 432 52. 568 45. 144 1. 00 37. 97 atoms 614 NZ LYS 79 31. 200 52. 956 46. 577 1. 00 42. 83 atoms 615 C LYS 79 30. 047 47. 890 43. 514 1. 00 31. 34 atoms 616 O LYS 79 30. 784 47. 069 42. 962 1. 00 32. 09 atom 617 N ALA 80 29. 209 48. 700 42. 862 1. 00 30. 61 atom 618 CA ALA 80 29. 157 48. 630 41. 397 1. 00 29. 02 atom 619 CB ALA 80 28. 098 47. 645 40. 945 1. 00 27. 11 atoms 620 C ALA 80 28. 927 50. 026 40. 855 1. 00 29. 80 atoms 621 O ALA 80 28. 348 50. 845 41. 556 1. 00 29. 38 atoms 622 N LYS 81 29. 433 50. 284 39. 661 1. 00 30. 05 atom 623 CA LYS 81 29. 341 51. 600 39. 061 1. 00 30. 27 atoms 624 CB LYS 81 30. 756 52. 090 38. 681 1. 00 31. 87 atoms 625 CG LYS 81 31. 374 51. 339 37. 519 1. 00 37. 86 atoms 626 CD LYS 81 32. 467 52. 105 36. 789 1. 00 42. 99 atoms 627 CE LYS 81 32. 751 51. 492 35. 417 1. 00 47. 33 atoms 628 NZ LYS 81 33. 666 52. 336 34. 571 1. 00 49. 16 atoms 629 C LYS 81 28. 492 51. 632 37. 792 1. 00 29. 77 atoms 630 O LYS 81 28. 247 50. 643 37. 111 1. 00 28. 82 atoms 631 N LEU 82 28. 104 52. 852 37. 425 1. 00 29. 31 atom 632 CA LEU 82 27. 374 53. 069 36. 199 1. 00 29. 67 atoms 633 CB LEU 82 26. 804 54. 492 36. 160 1. 00 29. 45 atoms 634 CG LEU 82 25. 541 54. 704 36. 991 1. 00 31. 17 atoms 635 CD1 LEU 82 25. 400 56. 191 37. 288 1. 00 30. 63 atoms 636 CD2 LEU 82 24. 338 54. 144 36. 248 1. 00 27. 47 atoms 637 C LEU 82 28. 324 52. 973 35. 004 1. 00 29. 02 atom 638 O LEU 82 29. 481 53. 380 35. 168 1. 00 30. 17 atoms 639 N LEU 83 27. 828 52. 483 33. 871 1. 00 27. 76 atoms 640 CA LEU 83 28. 676 52. 574 32. 674 1. 00 26. 06 atom 641 CB LEU 83 28. 653 51. 355 31. 787 1. 00 25. 12 atoms 642 CG LEU 83 29. 775 50. 336 32. 017 1. 00 27. 00 atom 643 CD1 LEU 83 29. 738 49. 792 33. 433 1. 00 24. 66 atoms 644 CD2 LEU 83 29. 699 49. 174 31. 026 1. 00 25. 27 atoms 645 C LEU 83 28. 200 53. 823 31. 914 1. 00 25. 12 atoms 646 O LEU 83 27. 000 54. 156 31. 940 1. 00 23. 92 atoms 647 N SER 84 29. 137 54. 506 31. 270 1. 00 23. 18 atoms 648 CA SER 84 28. 690 55. 674 30. 511 1. 00 24. 40 atoms 649 CB SER 84 29. 912 56. 507 30. 106 1. 00 21. 23 atom 650 OG SER 84 30. 753 55. 636 29. 360 1. 00 26. 21 atom 651 C SER 84 27. 976 55. 183 29. 254 1. 00 24. 25 atoms 652 O SER 84 28. 195 54. 037 28. 834 1. 00 24. 11 atoms 653 N VAL 85 27. 278 56. 071 28. 561 1. 00 24. 35 atoms 654 CA VAL 85 26. 693 55. 755 27. 264 1. 00 24. 12 atoms 655 CB VAL 85 26. 167 57. 028 26. 575 1. 00 23. 28 atoms 656 CG1 VAL 85 25. 927 56. 800 25. 077 1. 00 17. 75 atoms 657 CG2 VAL 85 24. 920 57. 608 27. 255 1. 00 20. 76 atoms 658 C VAL 85 27. 786 55. 152 26. 364 1. 00 26. 06 atom 659 O VAL 85 27. 630 54. 092 25. 734 1. 00 25. 64 atoms 660 N GLU 86 28. 944 55. 826 26. 316 1. 00 26. 18 atoms 661 CA GLU 86 30. 038 55. 358 25. 462 1. 00 27. 19 atoms 662 CB GLU 86 31. 186 56. 376 25. 451 1. 00 27. 26 atoms 663 CG GLU 86 30. 791 57. 667 24. 728 1. 00 29. 83 atoms 664 CD GLU 86 30. 198 58. 734 25. 606 1. 00 28. 64 atoms 665 OE1 GLU 86 29. 920 59. 868 25. 161 1. 00 30. 79 atoms 666 OE2 GLU 86 30. 020 58. 504 26. 814 1. 00 28. 74 atoms 667 C GLU 86 30. 556 53. 973 25. 799 1. 00 27. 11 atom 668 O GLU 86 30. 782 53. 190 24. 868 1. 00 28. 14 atoms 669 N GLU 87 30. 715 53. 627 27. 069 1. 00 26. 46 atoms 670 CA GLU 87 31. 212 52. 309 27. 424 1. 00 26. 29 atoms 671 CB GLU 87 31. 590 52. 207 28. 905 1. 00 24. 60 atoms 672 CG GLU 87 32. 903 52. 903 29. 252 1. 00 21. 73 atoms 673 CD GLU 87 32. 969 53. 165 30. 743 1. 00 22. 51 atoms 674 OE1 GLU 87 31. 933 53. 458 31. 376 1. 00 25. 19 atoms 675 OE2 GLU 87 34. 036 53. 095 31. 352 1. 00 22. 51 atoms 676 C GLU 87 30. 187 51. 238 27. 068 1. 00 26. 24 atoms 677 O GLU 87 30. 609 50. 207 26. 557 1. 00 26. 33 atoms 678 N ALA 88 28. 912 51. 509 27. 329 1. 00 25. 60 atoms 679 CA ALA 88 27. 830 50. 592 27. 006 1. 00 25. 57 atoms 680 CB ALA 88 26. 513 51. 155 27. 531 1. 00 22. 54 atoms 681 C ALA 88 27. 743 50. 354 25. 493 1. 00 26. 44 atoms 682 O ALA 88 27. 465 49. 228 25. 058 1. 00 25. 04 atom 683 N CYS 89 27. 950 51. 428 24. 716 1. 00 25. 77 atoms 684 CA CYS 89 27. 982 51. 319 23. 266 1. 00 26. 77 atoms 685 CB CYS 89 28. 122 52. 667 22. 552 1. 00 25. 38 atoms 686 SG CYS 89 26. 685 53. 789 22. 602 1. 00 19. 63 atoms 687 C CYS 89 29. 114 50. 388 22. 829 1. 00 27. 53 atoms 688 O CYS 89 28. 855 49. 422 22. 111 1. 00 26. 89 atoms 689 N LYS 90 30. 344 50. 570 23. 315 1. 00 28. 08 Atomic 690 CA LYS 90 31. 486 49. 730 22. 974 1. 00 27. 26 atoms 691 CB LYS 90 32. 764 50. 306 23. 599 1. 00 26. 77 atoms 692 CG LYS 90 33. 430 51. 485 22. 932 1. 00 28. 77 atoms 693 CD LYS 90 34. 004 52. 474 23. 926 1. 00 28. 79 atoms 694 CE LYS 90 34. 918 53. 546 23. 360 1. 00 28. 74 atoms 695 NZ LYS 90 34. 777 53. 715 21. 886 1. 00 32. 57 atoms 696 C LYS 90 31. 318 48. 282 23. 417 1. 00 28. 19 atoms 697 O LYS 90 31. 882 47. 334 22. 864 1. 00 27. 49 atoms 698 N LEU 91 30. 570 48. 042 24. 494 1. 00 28. 75 atoms 699 CA LEU 91 30. 244 46. 706 24. 961 1. 00 30. 16 atoms 700 CB LEU 91 30. 086 46. 655 26. 470 1. 00 34. 90 atoms 701 CG LEU 91 31. 290 46. 352 27. 359 1. 00 36. 27 atoms 702 CD1 LEU 91 32. 575 46. 904 26. 792 1. 00 35. 39 atoms 703 CD2 LEU 91 31. 063 46. 937 28. 755 1. 00 36. 52 atoms 704 C LEU 91 28. 989 46. 160 24. 284 1. 00 29. 92 atoms 705 O LEU 91 28. 521 45. 087 24. 656 1. 00 30. 50 atoms 706 N THR 92 28. 455 46. 823 23. 275 1. 00 30. 07 atom 707 CA THR 92 27. 300 46. 330 22. 542 1. 00 32. 39 atoms 708 CB THR 92 26. 568 47. 507 21. 854 1. 00 31. 77 atoms 709 OG1 THR 92 25. 884 48. 248 22. 877 1. 00 28. 62 atoms 710 CG2 THR 92 25. 627 47. 052 20. 754 1. 00 28. 77 atoms 711 C THR 92 27. 730 45. 309 21. 490 1. 00 33. 38 atoms 712 O THR 92 28. 496 45. 634 20. 597 1. 00 33. 88 atoms 713 N PRO 93 27. 199 44. 102 21. 543 1. 00 34. 88 atoms 714 CD PRO 93 26. 225 43. 644 22. 568 1. 00 35. 43 atoms 715 CA PRO 93 27. 507 43. 061 20. 588 1. 00 36. 36 atoms 716 CB PRO 93 26. 692 41. 858 21. 025 1. 00 36. 29 atom 717 CG PRO 93 26. 181 42. 160 22. 383 1. 00 35. 81 atoms 718 C PRO 93 27. 197 43. 491 19. 162 1. 00 37. 78 atoms 719 O PRO 93 26. 209 44. 152 18. 874 1. 00 36. 97 atoms 720 N PRO 94 28. 064 43. 091 18. 239 1. 00 39. 47 atoms 721 CD PRO 94 29. 298 42. 295 18. 533 1. 00 39. 82 atom 722 CA PRO 94 27. 992 43. 416 16. 842 1. 00 40. 50 atoms 723 CB PRO 94 29. 272 42. 830 16. 226 1. 00 39. 92 atoms 724 CG PRO 94 29. 594 41. 708 17. 168 1. 00 40. 67 atoms 725 C PRO 94 26. 807 42. 904 16. 066 1. 00 41. 64 atoms 726 O PRO 94 26. 539 43. 528 15. 017 1. 00 43. 65 atoms 727 N HIS 95 26. 119 41. 824 16. 406 1. 00 41. 97 atoms 728 CA HIS 95 24. 987 41. 464 15. 531 1. 00 43. 47 atoms 729 CB HIS 95 25. 139 40. 045 14. 971 1. 00 45. 58 atoms 730 CG HIS 95 26. 434 39. 875 14. 225 1. 00 48. 05 atom 731 CD2 HIS 95 27. 510 39. 076 14. 434 1. 00 47. 72 atoms 732 ND1 HIS 95 26. 729 40. 658 13. 125 1. 00 49. 11 atom 733 CE1 HIS 95 27. 927 40. 328 12. 665 1. 00 48. 45 atoms 734 NE2 HIS 95 28. 409 39. 373 13. 442 1. 00 49. 37 atoms 735 C HIS 95 23. 626 41. 688 16. 181 1. 00 43. 10 atoms 736 O HIS 95 22. 665 40. 965 15. 898 1. 00 43. 67 atoms 737 N SER 96 23. 495 42. 726 16. 993 1. 00 41. 70 atoms 738 CA SER 96 22. 260 43. 075 17. 667 1. 00 39. 84 atoms 739 CB SER 96 22. 575 44. 220 18. 645 1. 00 39. 09 atom 740 OG SER 96 22. 614 43. 786 19. 984 1. 00 37. 46 atoms 741 C SER 96 21. 170 43. 550 16. 721 1. 00 38. 69 atoms 742 O SER 96 21. 438 44. 322 15. 796 1. 00 39. 13 atoms 743 N ALA 97 19. 931 43. 173 16. 992 1. 00 37. 32 atoms 744 CA ALA 97 18. 808 43. 657 16. 186 1. 00 36. 47 atoms 745 CB ALA 97 17. 505 43. 147 16. 794 1. 00 33. 90 atoms 746 C ALA 97 18. 814 45. 186 16. 145 1. 00 36. 20 atoms 747 O ALA 97 18. 901 45. 833 17. 198 1. 00 35. 49 atoms 748 N LYS 98 18. 754 45. 767 14. 964 1. 00 36. 09 atom 749 CA LYS 98 18. 775 47. 213 14. 812 1. 00 37. 34 atoms 750 CB LYS 98 18. 741 47. 613 13. 346 1. 00 38. 64 atoms 751 CG LYS 98 17. 368 47. 680 12. 716 1. 00 40. 70 atoms 752 CD LYS 98 17. 485 47. 339 11. 233 1. 00 45. 63 atoms 753 CE LYS 98 16. 352 48. 015 10. 462 1. 00 48. 60 atoms 754 NZ LYS 98 16. 610 49. 489 10. 371 1. 00 52. 60 atoms 755 C LYS 98 17. 606 47. 853 15. 565 1. 00 38. 41 atoms 756 O LYS 98 16. 598 47. 227 15. 882 1. 00 38. 17 atoms 757 N SER 99 17. 770 49. 146 15. 867 1. 00 38. 38 atoms 758 CA SER 99 16. 777 49. 921 16. 557 1. 00 37. 73 atoms 759 CB SER 99 17. 383 51. 242 17. 036 1. 00 38. 40 atoms 760 OG SER 99 16. 444 52. 082 17. 719 1. 00 37. 78 atoms 761 C SER 99 15. 600 50. 236 15. 635 1. 00 38. 93 atoms 762 O SER 99 15. 691 50. 376 14. 411 1. 00 38. 97 atoms 763 N LYS 100 14. 462 50. 484 16. 295 1. 00 38. 75 atoms 764 CA LYS 100 13. 277 50. 942 15. 578 1. 00 38. 63 atoms 765 CB LYS 100 11. 980 50. 645 16. 304 1. 00 41. 47 atoms 766 CG LYS 100 11. 414 49. 244 16. 149 1. 00 46. 95 atoms 767 CD LYS 100 10. 441 48. 906 17. 284 1. 00 50. 39 atoms 768 CE LYS 100 9. 617 47. 668 16. 985 1. 00 52. 31 atoms 769 NZ LYS 100 8. 779 47. 226 18. 144 1. 00 54. 91 atoms 770 C LYS 100 13. 463 52. 446 15. 377 1. 00 37. 76 atoms 771 O LYS 100 12. 744 53. 012 14. 570 1. 00 37. 49 atoms 772 N PHE 101 14. 430 53. 104 16. 009 1. 00 36. 57 atoms 773 CA PHE 101 14. 616 54. 547 15. 904 1. 00 35. 11 atoms 774 CB PHE 101 14. 746 55. 167 17. 318 1. 00 34. 86 atoms 775 CG PHE 101 13. 545 54. 794 18. 160 1. 00 35. 15 atoms 776 CD1 PHE 101 13. 599 53. 726 19. 036 1. 00 35. 56 atoms 777 CD2 PHE 101 12. 344 55. 477 18. 028 1. 00 36. 84 atoms 778 CE1 PHE 101 12. 504 53. 358 19. 799 1. 00 36. 02 atom 779 CE2 PHE 101 11. 230 55. 126 18. 774 1. 00 35. 71 atoms 780 CZ PHE 101 11. 315 54. 055 19. 655 1. 00 36. 60 atoms 781 C PHE 101 15. 718 55. 002 14. 970 1. 00 33. 93 atoms 782 O PHE 101 16. 276 56. 093 15. 040 1. 00 32. 19 atoms 783 N GLY 102 16. 009 54. 182 13. 959 1. 00 34. 44 atoms 784 CA GLY 102 16. 878 54. 513 12. 852 1. 00 32. 69 atoms 785 C GLY 102 18. 339 54. 195 12. 867 1. 00 31. 96 atoms 786 O GLY 102 19. 049 54. 794 12. 059 1. 00 32. 33 atom 787 N TYR 103 18. 837 53. 334 13. 739 1. 00 31. 53 atoms 788 CA TYR 103 20. 255 53. 016 13. 788 1. 00 31. 02 atom 789 CB TYR 103 20. 995 53. 944 14. 749 1. 00 30. 17 atom 790 CG TYR 103 20. 492 53. 849 16. 167 1. 00 31. 09 atom 791 CD1 TYR 103 21. 041 52. 954 17. 089 1. 00 30. 47 atoms 792 CE1 TYR 103 20. 580 52. 899 18. 389 1. 00 28. 33 atom 793 CD2 TYR 103 19. 461 54. 687 16. 588 1. 00 30. 24 atoms 794 CE2 TYR 103 18. 995 54. 619 17. 882 1. 00 29. 56 atoms 795 CZ TYR 103 19. 552 53. 718 18. 775 1. 00 28. 28 atoms 796 OH TYR 103 19. 063 53. 674 20. 056 1. 00 26. 38 atoms 797 C TYR 103 20. 429 51. 558 14. 181 1. 00 30. 53 atoms 798 O TYR 103 19. 469 50. 962 14. 679 1. 00 31. 65 atoms 799 N GLY 104 21. 609 51. 009 13. 954 1. 00 29. 78 atoms 800 CA GLY 104 21. 889 49. 619 14. 308 1. 00 29. 76 atoms 801 C GLY 104 23. 143 49. 447 15. 153 1. 00 29. 99 atoms 802 O GLY 104 23. 791 50. 429 15. 556 1. 00 29. 56 atoms 803 N ALA 105 23. 472 48. 183 15. 431 1. 00 30. 04 atom 804 CA ALA 105 24. 627 47. 815 16. 231 1. 00 31. 21 atom 805 CB ALA 105 24. 871 46. 308 16. 238 1. 00 32. 66 atoms 806 C ALA 105 25. 933 48. 477 15. 831 1. 00 31. 18 atoms 807 O ALA 105 26. 613 49. 001 16. 720 1. 00 32. 94 atoms 808 N LYS 106 26. 341 48. 457 14. 585 1. 00 31. 82 atoms 809 CA LYS 106 27. 588 49. 096 14. 159 1. 00 33. 16 atoms 810 CB LYS 106 27. 985 48. 714 12. 736 1. 00 36. 56 atoms 811 CG LYS 106 26. 892 48. 764 11. 701 1. 00 41. 69 atoms 812 CD LYS 106 27. 335 48. 256 10. 335 1. 00 46. 79 atoms 813 CE LYS 106 26. 145 48. 016 9. 402 1. 00 48. 14 atoms 814 NZ LYS 106 26. 515 48. 303 7. 977 1. 00 51. 75 atoms 815 C LYS 106 27. 528 50. 603 14. 383 1. 00 32. 10 atoms 816 O LYS 106 28. 532 51. 179 14. 775 1. 00 31. 01 atom 817 N ASP 107 26. 380 51. 267 14. 217 1. 00 32. 44 atoms 818 CA ASP 107 26. 304 52. 691 14. 525 1. 00 32. 34 atoms 819 CB ASP 107 24. 940 53. 308 14. 262 1. 00 32. 09 Atom 820 CG ASP 107 24. 534 53. 145 12. 815 1. 00 31. 69 atom 821 OD1 ASP 107 25. 280 53. 650 11. 959 1. 00 34. 96 atoms 822 OD2 ASP 107 23. 505 52. 523 12. 520 1. 00 32. 64 atoms 823 C ASP 107 26. 630 52. 884 16. 011 1. 00 32. 49 atoms 824 O ASP 107 27. 493 53. 699 16. 312 1. 00 33. 38 atoms 825 N VAL 108 25. 960 52. 120 16. 866 1. 00 30. 97 atoms 826 CA VAL 108 26. 165 52. 165 18. 294 1. 00 30. 58 atoms 827 CB VAL 108 25. 338 51. 132 19. 081 1. 00 29. 70 atoms 828 CG1 VAL 108 25. 815 51. 023 20. 536 1. 00 27. 03 atom 829 CG2 VAL 108 23. 851 51. 473 19. 061 1. 00 27. 78 atoms 830 C VAL 108 27. 642 51. 941 18. 611 1. 00 31. 50 atoms 831 O VAL 108 28. 263 52. 779 19. 262 1. 00 30. 29 atoms 832 N ARG 109 28. 181 50. 825 18. 131 1. 00 31. 94 atoms 833 CA ARG 109 29. 582 50. 479 18. 333 1. 00 33. 32 atoms 834 CB ARG 109 29. 862 49. 087 17. 742 1. 00 39. 04 atom 835 CG ARG 109 29. 219 47. 982 18. 577 1. 00 44. 64 atoms 836 CD ARG 109 28. 861 46. 760 17. 749 1. 00 49. 57 atoms 837 NE ARG 109 29. 989 46. 182 17. 032 1. 00 54. 31 atom 838 CZ ARG 109 31. 089 45. 684 17. 585 1. 00 56. 41 atom 839 NH1 ARG 109 31. 224 45. 671 18. 907 1. 00 56. 29 atoms 840 NH2 ARG 109 32. 068 45. 184 16. 836 1. 00 58. 08 atom 841 C ARG 109 30. 564 51. 519 17. 806 1. 00 32. 51 atoms 842 O ARG 109 31. 650 51. 652 18. 389 1. 00 30. 97 atoms 843 N ASN 110 30. 217 52. 307 16. 797 1. 00 32. 28 atoms 844 CA ASN 110 31. 053 53. 383 16. 292 1. 00 33. 36 atoms 845 CB ASN 110 30. 933 53. 568 14. 777 1. 00 36. 00 atom 846 CG ASN 110 31. 387 52. 346 14. 002 1. 00 41. 32 atoms 847 OD1 ASN 110 30. 905 52. 089 12. 890 1. 00 44. 02 atom 848 ND2 ASN 110 32. 297 51. 576 14. 590 1. 00 42. 16 atoms 849 C ASN 110 30. 714 54. 721 16. 949 1. 00 32. 78 atoms 850 O ASN 110 31. 141 55. 771 16. 480 1. 00 33. 29 atoms 851 N LEU 111 29. 895 54. 731 17. 985 1. 00 31. 98 atoms 852 CA LEU 111 29. 486 55. 939 18. 682 1. 00 31. 49 atoms 853 CB LEU 111 30. 616 56. 499 19. 517 1. 00 28. 30 atoms 854 CG LEU 111 31. 277 55. 633 20. 583 1. 00 27. 81 atoms 855 CD1 LEU 111 32. 342 56. 428 21. 349 1. 00 26. 90 atoms 856 CD2 LEU 111 30. 249 55. 097 21. 548 1. 00 29. 48 atoms 857 C LEU 111 28. 952 56. 968 17. 688 1. 00 32. 46 atoms 858 O LEU 111 29. 360 58. 137 17. 671 1. 00 32. 73 atoms 859 N SER 112 27. 999 56. 536 16. 856 1. 00 32. 11 atom 860 CA SER 112 27. 469 57. 497 15. 882 1. 00 33. 29 atoms 861 CB SER 112 26. 766 56. 766 14. 752 1. 00 30. 43 atoms 862 OG SER 112 25. 377 56. 745 14. 951 1. 00 32. 82 atoms 863 C SER 112 26. 624 58. 516 16. 627 1. 00 33. 57 atoms 864 O SER 112 26. 006 58. 212 17. 649 1. 00 35. 13 atom 865 N SER 113 26. 584 59. 755 16. 171 1. 00 33. 55 atoms 866 CA SER 113 25. 812 60. 812 16. 819 1. 00 34. 53 atoms 867 CB SER 113 26. 016 62. 154 16. 102 1. 00 31. 71 atom 868 OG SER 113 25. 665 62. 012 14. 735 1. 00 32. 40 atoms 869 C SER 113 24. 325 60. 475 16. 901 1. 00 35. 07 atom 870 O SER 113 23. 638 60. 741 17. 894 1. 00 34. 43 atoms 871 N LYS 114 23. 803 59. 840 15. 857 1. 00 35. 84 atoms 872 CA LYS 114 22. 414 59. 401 15. 819 1. 00 37. 45 atoms 873 CB LYS 114 22. 111 58. 804 14. 458 1. 00 42. 53 atoms 874 CG LYS 114 20. 757 58. 214 14. 202 1. 00 48. 91 atoms 875 CD LYS 114 19. 887 59. 051 13. 279 1. 00 54. 77 atoms 876 CE LYS 114 19. 557 60. 426 13. 859 1. 00 57. 51 atoms 877 NZ LYS 114 18. 483 61. 097 13. 069 1. 00 57. 88 atoms 878 C LYS 114 22. 158 58. 415 16. 958 1. 00 36. 85 atoms 879 O LYS 114 21. 239 58. 646 17. 754 1. 00 36. 41 atoms 880 N ALA 115 22. 980 57. 372 17. 103 1. 00 36. 24 atoms 881 CA ALA 115 22. 775 56. 427 18. 206 1. 00 34. 92 atoms 882 CB ALA 115 23. 623 55. 165 18. 053 1. 00 34. 23 atoms 883 C ALA 115 23. 054 57. 057 19. 568 1. 00 33. 80 atoms 884 O ALA 115 22. 268 56. 831 20. 489 1. 00 32. 66 atoms 885 N VAL 116 24. 109 57. 855 19. 725 1. 00 32. 93 atoms 886 CA VAL 116 24. 380 58. 425 21. 045 1. 00 32. 73 atoms 887 CB VAL 116 25. 763 59. 097 21. 123 1. 00 32. 48 atoms 888 CG1 VAL 116 26. 044 59. 573 22. 542 1. 00 33. 83 atoms 889 CG2 VAL 116 26. 858 58. 111 20. 723 1. 00 31. 94 atoms 890 C VAL 116 23. 282 59. 360 21. 526 1. 00 32. 02 atom 891 O VAL 116 22. 913 59. 324 22. 710 1. 00 32. 23 atoms 892 N ASN 117 22. 704 60. 184 20. 662 1. 00 30. 87 atoms 893 CA ASN 117 21. 655 61. 117 21. 060 1. 00 29. 79 atoms 894 CB ASN 117 21. 376 62. 163 19. 984 1. 00 32. 08 Atomic 895 CG ASN 117 22. 516 63. 131 19. 719 1. 00 38. 47 atoms 896 OD1 ASN 117 23. 570 63. 130 20. 379 1. 00 40. 33 atom 897 ND2 ASN 117 22. 448 64. 027 18. 721 1. 00 37. 80 atoms 898 C ASN 117 20. 396 60. 335 21. 428 1. 00 28. 77 atoms 899 O ASN 117 19. 751 60. 661 22. 417 1. 00 27. 56 atoms 900 N HIS 118 20. 106 59. 248 20. 706 1. 00 27. 51 atom 901 CA HIS 118 18. 911 58. 464 21. 004 1. 00 27. 17 atoms 902 CB HIS 118 18. 561 57. 461 19. 896 1. 00 26. 40 atoms 903 CG HIS 118 17. 312 56. 722 20. 256 1. 00 29. 35 atoms 904 CD2 HIS 118 16. 029 57. 160 20. 398 1. 00 29. 90 atoms 905 ND1 HIS 118 17. 303 55. 378 20. 559 1. 00 29. 23 atoms 906 CE1 HIS 118 16. 076 55. 005 20. 878 1. 00 28. 93 atoms 907 NE2 HIS 118 15. 282 56. 065 20. 785 1. 00 29. 97 atoms 908 C HIS 118 19. 029 57. 764 22. 350 1. 00 26. 40 atoms 909 O HIS 118 18. 082 57. 793 23. 129 1. 00 26. 23 atoms 910 N ILE 119 20. 176 57. 168 22. 608 1. 00 25. 54 atoms 911 CA ILE 119 20. 453 56. 443 23. 845 1. 00 25. 77 atoms 912 CB ILE 119 21. 853 55. 791 23. 704 1. 00 25. 09 Atom 913 CG2 ILE 119 22. 440 55. 411 25. 034 1. 00 20. 78 atoms 914 CG1 ILE 119 21. 712 54. 604 22. 740 1. 00 23. 62 atoms 915 CD1 ILE 119 23. 043 54. 114 22. 215 1. 00 23. 78 atoms 916 C ILE 119 20. 332 57. 352 25. 049 1. 00 25. 72 atoms 917 O ILE 119 19. 716 57. 004 26. 046 1. 00 26. 34 atoms 918 N HIS 120 20. 871 58. 567 24. 987 1. 00 25. 92 atoms 919 CA HIS 120 20. 753 59. 587 26. 008 1. 00 25. 03 Atomic 920 CB HIS 120 21. 451 60. 875 25. 568 1. 00 19. 50 atoms 921 CG HIS 120 22. 906 60. 892 25. 880 1. 00 21. 11 atom 922 CD2 HIS 120 24. 032 60. 819 25. 126 1. 00 20. 44 atoms 923 ND1 HIS 120 23. 342 60. 996 27. 190 1. 00 23. 85 atoms 924 CE1 HIS 120 24. 671 61. 004 27. 218 1. 00 22. 45 atoms 925 NE2 HIS 120 25. 109 60. 897 25. 973 1. 00 20. 40 atoms 926 C HIS 120 19. 293 59. 931 26. 316 1. 00 26. 49 atoms 927 O HIS 120 18. 893 59. 938 27. 493 1. 00 26. 12 atoms 928 N SER 121 18. 485 60. 136 25. 277 1. 00 25. 93 atoms 929 CA SER 121 17. 074 60. 444 25. 480 1. 00 27. 56 atoms 930 CB SER 121 16. 369 60. 863 24. 187 1. 00 28. 43 atoms 931 OG SER 121 15. 995 59. 717 23. 422 1. 00 34. 04 atom 932 C SER 121 16. 387 59. 245 26. 119 1. 00 27. 33 atoms 933 O SER 121 15. 519 59. 459 26. 962 1. 00 28. 01 atom 934 N VAL 122 16. 781 58. 025 25. 788 1. 00 27. 20 atoms 935 CA VAL 122 16. 169 56. 835 26. 361 1. 00 28. 11 atoms 936 CB VAL 122 16. 545 55. 526 25. 631 1. 00 26. 41 atom 937 CG1 VAL 122 15. 885 54. 343 26. 333 1. 00 23. 66 atoms 938 CG2 VAL 122 16. 108 55. 594 24. 173 1. 00 24. 72 atoms 939 C VAL 122 16. 503 56. 714 27. 842 1. 00 29. 35 atoms 940 O VAL 122 15. 604 56. 450 28. 653 1. 00 29. 90 atoms 941 N TRP 123 17. 762 56. 937 28. 197 1. 00 29. 56 atoms 942 CA TRP 123 18. 183 56. 921 29. 595 1. 00 30. 64 atoms 943 CB TRP 123 19. 692 57. 187 29. 654 1. 00 29. 90 atoms 944 CG TRP 123 20. 286 57. 238 31. 026 1. 00 28. 10 atoms 945 CD2 TRP 123 20. 587 56. 114 31. 865 1. 00 26. 10 atoms 946 CE2 TRP 123 21. 147 56. 628 33. 053 1. 00 27. 09 atom 947 CE3 TRP 123 20. 435 54. 731 31. 736 1. 00 25. 33 atom 948 CD1 TRP 123 20. 667 58. 368 31. 711 1. 00 26. 54 atoms 949 NE1 TRP 123 21. 180 58. 004 32. 932 1. 00 27. 87 atoms 950 CZ2 TRP 123 21. 553 55. 803 34. 094 1. 00 24. 63 atoms 951 CZ3 TRP 123 20. 835 53. 910 32. 781 1. 00 23. 50 atoms 952 CH2 TRP 123 21. 386 54. 450 33. 944 1. 00 24. 32 atoms 953 C TRP 123 17. 470 57. 990 30. 405 1. 00 31. 64 atoms 954 O TRP 123 17. 064 57. 746 31. 540 1. 00 32. 63 atoms 955 N LYS 124 17. 339 59. 214 29. 886 1. 00 32. 83 atoms 956 CA LYS 124 16. 653 60. 283 30. 620 1. 00 33. 02 atom 957 CB LYS 124 16. 725 61. 620 29. 898 1. 00 34. 20 atoms 958 CG LYS 124 15. 818 62. 722 30. 428 1. 00 35. 32 atoms 959 CD LYS 124 16. 036 63. 975 29. 577 1. 00 37. 39 atoms 960 CE LYS 124 15. 459 65. 246 30. 148 1. 00 41. 57 atoms 961 NZ LYS 124 14. 008 65. 188 30. 536 1. 00 44. 15 atoms 962 C LYS 124 15. 206 59. 873 30. 876 1. 00 32. 46 atoms 963 O LYS 124 14. 740 60. 038 31. 995 1. 00 32. 18 atoms 964 N ASP 125 14. 525 59. 292 29. 886 1. 00 31. 76 atoms 965 CA ASP 125 13. 165 58. 815 30. 037 1. 00 30. 82 atoms 966 CB ASP 125 12. 652 58. 213 28. 723 1. 00 31. 14 atoms 967 CG ASP 125 11. 245 57. 663 28. 897 1. 00 30. 89 atom 968 OD1 ASP 125 10. 335 58. 503 28. 783 1. 00 32. 56 atoms 969 OD2 ASP 125 11. 084 56. 456 29. 173 1. 00 30. 48 atoms 970 C ASP 125 13. 055 57. 768 31. 144 1. 00 30. 92 atoms 971 O ASP 125 12. 098 57. 780 31. 928 1. 00 30. 73 atoms 972 N LEU 126 14. 024 56. 872 31. 223 1. 00 30. 06 Atomic 973 CA LEU 126 14. 064 55. 832 32. 236 1. 00 31. 19 atoms 974 CB LEU 126 15. 275 54. 925 32. 085 1. 00 30. 34 atom 975 CG LEU 126 15. 310 53. 700 31. 205 1. 00 28. 80 atoms 976 CD1 LEU 126 16. 611 52. 958 31. 528 1. 00 28. 14 atoms 977 CD2 LEU 126 14. 093 52. 811 31. 440 1. 00 26. 25 atoms 978 C LEU 126 14. 163 56. 426 33. 639 1. 00 32. 34 atoms 979 O LEU 126 13. 596 55. 858 34. 571 1. 00 33. 01 atom 980 N LEU 127 14. 913 57. 518 33. 799 1. 00 32. 51 atoms 981 CA LEU 127 15. 026 58. 138 35. 111 1. 00 33. 15 atoms 982 CB LEU 127 16. 241 59. 077 35. 179 1. 00 29. 94 atoms 983 CG LEU 127 17. 600 58. 395 34. 970 1. 00 29. 21 atom 984 CD1 LEU 127 18. 711 59. 438 34. 927 1. 00 27. 52 atoms 985 CD2 LEU 127 17. 846 57. 355 36. 053 1. 00 27. 47 atoms 986 C LEU 127 13. 760 58. 907 35. 479 1. 00 33. 47 atoms 987 O LEU 127 13. 318 58. 873 36. 626 1. 00 32. 84 atoms 988 N GLU 128 13. 177 59. 612 34. 525 1. 00 34. 41 atoms 989 CA GLU 128 11. 999 60. 438 34. 746 1. 00 35. 83 atoms 990 CB GLU 128 12. 004 61. 563 33. 696 1. 00 39. 47 atoms 991 CG GLU 128 13. 073 62. 598 34. 026 1. 00 44. 87 atoms 992 CD GLU 128 13. 218 63. 638 32. 945 1. 00 49. 70 atoms 993 OE1 GLU 128 12. 362 63. 700 32. 024 1. 00 53. 87 atoms 994 OE2 GLU 128 14. 200 64. 413 32. 978 1. 00 50. 76 atoms 995 C GLU 128 10. 653 59. 743 34. 746 1. 00 35. 73 atoms 996 O GLU 128 9. 718 60. 263 35. 356 1. 00 35. 85 atoms 997 N ASP 129 10. 512 58. 602 34. 084 1. 00 35. 27 atoms 998 CA ASP 129 9. 275 57. 827 34. 086 1. 00 33. 25 atoms 999 CB ASP 129 8. 666 57. 763 32. 695 1. 00 33. 45 atoms 1000 CG ASP 129 7. 490 56. 831 32. 516 1. 00 32. 17 atoms 1001 OD1 ASP 129 7. 134 56. 081 33. 444 1. 00 31. 38 atoms 1002 OD2 ASP 129 6. 877 56. 845 31. 422 1. 00 32. 33 atoms 1003 C ASP 129 9. 638 56. 438 34. 594 1. 00 33. 11 atom 1004 O ASP 129 10. 533 55. 782 34. 058 1. 00 32. 38 atoms 1005 N THR 130 8. 979 55. 986 35. 658 1. 00 32. 93 atoms 1006 CA THR 130 9. 300 54. 670 36. 209 1. 00 33. 32 atoms 1007 CB THR 130 9. 856 54. 769 37. 645 1. 00 33. 49 atoms 1008 OG1 THR 130 8. 803 55. 253 38. 493 1. 00 34. 96 atoms 1009 CG2 THR 130 11. 045 55. 701 37. 778 1. 00 30. 06 Atomic 1010 C THR 130 8. 070 53. 776 36. 203 1. 00 34. 04 atom 1011 O THR 130 8. 012 52. 793 36. 942 1. 00 33. 63 atoms 1012 N VAL 131 7. 086 54. 057 35. 336 1. 00 34. 56 atoms 1013 CA VAL 131 5. 865 53. 280 35. 312 1. 00 35. 87 atoms 1014 CB VAL 131 4. 662 54. 046 35. 934 1. 00 38. 04 atom 1015 CG1 VAL 131 4. 868 54. 432 37. 393 1. 00 39. 19 atoms 1016 CG2 VAL 131 4. 322 55. 323 35. 165 1. 00 37. 80 atoms 1017 C VAL 131 5. 433 52. 758 33. 949 1. 00 35. 83 atoms 1018 O VAL 131 5. 009 51. 596 33. 897 1. 00 36. 49 atoms 1019 N THR 132 5. 487 53. 529 32. 884 1. 00 35. 80 atoms 1020 CA THR 132 5. 023 53. 141 31. 565 1. 00 35. 92 atoms 1021 CB THR 132 5. 240 54. 305 30. 565 1. 00 36. 71 atoms 1022 OG1 THR 132 4. 834 55. 539 31. 165 1. 00 36. 50 atoms 1023 CG2 THR 132 4. 468 54. 082 29. 268 1. 00 36. 00 atom 1024 C THR 132 5. 737 51. 921 31. 002 1. 00 36. 28 atoms 1025 O THR 132 6. 949 51. 929 30. 739 1. 00 35. 29 atoms 1026 N PRO 133 4. 964 50. 884 30. 733 1. 00 36. 02 atom 1027 CD PRO 133 3. 506 50. 744 30. 971 1. 00 36. 57 atoms 1028 CA PRO 133 5. 502 49. 638 30. 193 1. 00 35. 93 atoms 1029 CB PRO 133 4. 277 48. 741 30. 012 1. 00 36. 78 atoms 1030 CG PRO 133 3. 401 49. 228 31. 138 1. 00 36. 77 atoms 1031 C PRO 133 6. 258 49. 893 28. 911 1. 00 34. 89 atoms 1032 O PRO 133 5. 771 50. 591 28. 033 1. 00 34. 65 atoms 1033 N ILE 134 7. 505 49. 413 28. 884 1. 00 34. 47 atoms 1034 CA ILE 134 8. 332 49. 618 27. 681 1. 00 32. 52 atoms 1035 CB ILE 134 9. 799 49. 544 28. 124 1. 00 31. 09 atom 1036 CG2 ILE 134 10. 726 49. 294 26. 936 1. 00 31. 60 atoms 1037 CG1 ILE 134 10. 199 50. 807 28. 897 1. 00 26. 79 atoms 1038 CD1 ILE 134 11. 625 50. 760 29. 431 1. 00 25. 33 atoms 1039 C ILE 134 7. 920 48. 552 26. 685 1. 00 31. 87 atoms 1040 O ILE 134 7. 542 47. 439 27. 074 1. 00 31. 37 atoms 1041 N ASP 135 7. 967 48. 826 25. 408 1. 00 32. 82 atoms 1042 CA ASP 135 7. 591 47. 879 24. 364 1. 00 32. 31 atom 1043 CB ASP 135 7. 515 48. 618 23. 007 1. 00 32. 21 atom 1044 CG ASP 135 6. 869 47. 726 21. 967 1. 00 34. 28 atoms 1045 OD1 ASP 135 7. 181 47. 751 20. 768 1. 00 37. 79 atoms 1046 OD2 ASP 135 5. 984 46. 949 22. 366 1. 00 35. 47 atoms 1047 C ASP 135 8. 612 46. 764 24. 210 1. 00 32. 38 atoms 1048 O ASP 135 9. 790 47. 008 24. 473 1. 00 32. 37 atoms 1049 N THR 136 8. 192 45. 574 23. 830 1. 00 31. 67 atoms 1050 CA THR 136 9. 080 44. 455 23. 554 1. 00 31. 75 atoms 1051 CB THR 136 9. 086 43. 379 24. 657 1. 00 31. 21 atoms 1052 OG1 THR 136 7. 756 42. 876 24. 849 1. 00 30. 66 atoms 1053 CG2 THR 136 9. 588 43. 890 25. 997 1. 00 29. 18 atoms 1054 C THR 136 8. 656 43. 787 22. 240 1. 00 31. 11 atoms 1055 O THR 136 7. 463 43. 842 21. 912 1. 00 30. 39 atoms 1056 N THR 137 9. 581 43. 238 21. 468 1. 00 31. 05 atom 1057 CA THR 137 9. 258 42. 499 20. 244 1. 00 30. 25 atoms 1058 CB THR 137 10. 220 42. 730 19. 079 1. 00 27. 72 atoms 1059 OG1 THR 137 10. 327 44. 099 18. 701 1. 00 26. 38 atoms 1060 CG2 THR 137 9. 750 41. 986 17. 821 1. 00 29. 69 atoms 1061 C THR 137 9. 263 40. 987 20. 546 1. 00 31. 26 atoms 1062 O THR 137 10. 152 40. 466 21. 232 1. 00 30. 49 atoms 1063 N ILE 138 8. 267 40. 252 20. 065 1. 00 32. 31 atoms 1064 CA ILE 138 8. 215 38. 807 20. 298 1. 00 33. 92 atoms 1065 CB ILE 138 6. 914 38. 350 20. 971 1. 00 33. 90 atoms 1066 CG2 ILE 138 5. 664 38. 798 20. 225 1. 00 32. 67 atoms 1067 CG1 ILE 138 6. 935 36. 830 21. 134 1. 00 35. 41 atoms 1068 CD1 ILE 138 6. 099 36. 216 22. 224 1. 00 34. 14 atoms 1069 C ILE 138 8. 524 38. 119 18. 978 1. 00 35. 72 atoms 1070 O ILE 138 8. 053 38. 616 17. 951 1. 00 36. 87 atoms 1071 N MET 139 9. 377 37. 109 18. 955 1. 00 36. 77 atoms 1072 CA MET 139 9. 761 36. 422 17. 735 1. 00 38. 76 atoms 1073 CB MET 139 11. 122 36. 821 17. 166 1. 00 41. 09 atom 1074 CG MET 139 11. 282 38. 177 16. 535 1. 00 44. 16 atoms 1075 SD MET 139 10. 002 38. 569 15. 325 1. 00 46. 83 atoms 1076 CE MET 139 10. 869 38. 182 13. 810 1. 00 45. 10 atoms 1077 C MET 139 9. 901 34. 914 17. 996 1. 00 39. 71 atoms 1078 O MET 139 10. 089 34. 500 19. 144 1. 00 38. 98 atoms 1079 N ALA 140 9. 870 34. 162 16. 893 1. 00 40. 22 atoms 1080 CA ALA 140 10. 069 32. 714 17. 039 1. 00 42. 07 atom 1081 CB ALA 140 9. 086 31. 913 16. 230 1. 00 40. 20 atoms 1082 C ALA 140 11. 523 32. 443 16. 651 1. 00 43. 52 atoms 1083 O ALA 140 11. 980 33. 029 15. 670 1. 00 43. 47 atoms 1084 N LYS 141 12. 249 31. 671 17. 442 1. 00 45. 45 atoms 1085 CA LYS 141 13. 645 31. 390 17. 086 1. 00 48. 14 atoms 1086 CB LYS 141 14. 396 30. 920 18. 315 1. 00 51. 73 atoms 1087 CG LYS 141 15. 832 31. 397 18. 498 1. 00 54. 11 atoms 1088 CD LYS 141 16. 264 30. 915 19. 878 1. 00 55. 56 atoms 1089 CE LYS 141 17. 552 31. 516 20. 391 1. 00 57. 47 atoms 1090 NZ LYS 141 17. 499 31. 571 21. 894 1. 00 57. 93 atoms 1091 C LYS 141 13. 669 30. 319 15. 999 1. 00 48. 57 atoms 1092 O LYS 141 12. 813 29. 433 15. 982 1. 00 48. 20 atoms 1093 N ASN 142 14. 639 30. 404 15. 101 1. 00 49. 53 atoms 1094 CA ASN 142 14. 774 29. 409 14. 040 1. 00 50. 30 atoms 1095 CB ASN 142 14. 833 30. 027 12. 653 1. 00 49. 86 atoms 1096 CG ASN 142 13. 593 30. 786 12. 234 1. 00 49. 54 atoms 1097 OD1 ASN 142 13. 742 31. 824 11. 590 1. 00 50. 12 atoms 1098 ND2 ASN 142 12. 422 30. 278 12. 592 1. 00 47. 83 atoms 1099 C ASN 142 16. 060 28. 624 14. 284 1. 00 50. 99 atoms 1100 O ASN 142 17. 142 29. 155 14. 024 1. 00 52. 12 atoms 1101 N GLU 143 15. 944 27. 402 14. 792 1. 00 51. 06 Atomic 1102 CA GLU 143 17. 151 26. 614 15. 050 1. 00 51. 24 atoms 1103 CB GLU 143 17. 594 26. 700 16. 508 1. 00 51. 89 atoms 1104 CG GLU 143 16. 521 27. 067 17. 510 1. 00 52. 83 atoms 1105 CD GLU 143 17. 061 27. 579 18. 827 1. 00 53. 67 atoms 1106 OE1 GLU 143 16. 301 27. 593 19. 819 1. 00 53. 37 atoms 1107 OE2 GLU 143 18. 245 27. 966 18. 884 1. 00 53. 92 atoms 1108 C GLU 143 16. 993 25. 180 14. 566 1. 00 50. 60 atoms 1109 O GLU 143 15. 902 24. 609 14. 571 1. 00 50. 70 atoms 1110 N VAL 144 18. 117 24. 628 14. 125 1. 00 49. 54 atoms 1111 CA VAL 144 18. 218 23. 286 13. 577 1. 00 48. 44 atoms 1112 CB VAL 144 19. 408 23. 237 12. 583 1. 00 47. 66 atoms 1113 CG1 VAL 144 19. 576 21. 845 11. 985 1. 00 45. 89 atoms 1114 CG2 VAL 144 19. 229 24. 281 11. 493 1. 00 45. 75 atoms 1115 C VAL 144 18. 429 22. 194 14. 608 1. 00 48. 29 atoms 1116 O VAL 144 19. 151 22. 346 15. 596 1. 00 47. 36 atoms 1117 N PHE 145 17. 681 21. 099 14. 492 1. 00 48. 67 atoms 1118 CA PHE 145 17. 752 19. 933 15. 353 1. 00 49. 51 atoms 1119 CB PHE 145 16. 731 19. 960 16. 491 1. 00 50. 47 atoms 1120 CG PHE 145 16. 740 21. 178 17. 368 1. 00 53. 11 atoms 1121 CD1 PHE 145 15. 922 22. 254 17. 048 1. 00 54. 39 atoms 1122 CD2 PHE 145 17. 552 21. 276 18. 487 1. 00 52. 47 atoms 1123 CE1 PHE 145 15. 919 23. 401 17. 820 1. 00 55. 80 atoms 1124 CE2 PHE 145 17. 536 22. 414 19. 268 1. 00 53. 25 atoms 1125 CZ PHE 145 16. 723 23. 482 18. 941 1. 00 53. 85 atoms 1126 C PHE 145 17. 548 18. 624 14. 569 1. 00 50. 20 atoms 1127 O PHE 145 17. 323 18. 585 13. 358 1. 00 48. 57 atoms 1128 N CYS 146 17. 649 17. 513 15. 297 1. 00 51. 48 atoms 1129 CA CYS 146 17. 412 16. 186 14. 755 1. 00 53. 41 atoms 1130 CB CYS 146 18. 586 15. 233 14. 961 1. 00 49. 50 atoms 1131 SG CYS 146 18. 209 13. 479 14. 699 1. 00 43. 89 atoms 1132 C CYS 146 16. 149 15. 609 15. 394 1. 00 56. 34 atoms 1133 O CYS 146 15. 948 15. 730 16. 598 1. 00 55. 75 atoms 1134 N VAL 147 15. 291 15. 001 14. 593 1. 00 60. 16 atoms 1135 CA VAL 147 14. 058 14. 379 15. 081 1. 00 65. 88 atoms 1136 CB VAL 147 13. 352 13. 589 13. 969 1. 00 64. 85 atoms 1137 CG1 VAL 147 12. 067 12. 960 14. 481 1. 00 65. 06 atom 1138 CG2 VAL 147 13. 039 14. 487 12. 778 1. 00 63. 31 atoms 1139 C VAL 147 14. 394 13. 493 16. 275 1. 00 70. 14 atoms 1140 O VAL 147 15. 501 12. 937 16. 255 1. 00 70. 11 atoms 1141 N GLN 148 13. 513 13. 346 17. 280 1. 00 75. 29 atoms 1142 CA GLN 148 13. 964 12. 611 18. 441 1. 00 81. 43 atoms 1143 CB GLN 148 14. 115 13. 614 19. 628 1. 00 83. 52 atoms 1144 CG GLN 148 15. 106 13. 089 20. 653 1. 00 86. 12 atoms 1145 CD GLN 148 15. 549 14. 033 21. 736 1. 00 87. 68 atoms 1146 OE1 GLN 148 15. 392 15. 254 21. 674 1. 00 88. 39 atoms 1147 NE2 GLN 148 16. 147 13. 481 22. 793 1. 00 88. 48 atoms 1148 C GLN 148 13. 409 11. 340 19. 052 1. 00 85. 20 atoms 1149 O GLN 148 12. 319 11. 185 19. 581 1. 00 85. 67 atoms 1150 N PRO 149 14. 378 10. 407 19. 175 1. 00 88. 26 atoms 1151 CD PRO 149 15. 757 10. 587 18. 620 1. 00 89. 22 atoms 1152 CA PRO 149 14. 290 9. 117 19. 817 1. 00 90. 26 atoms 1153 CB PRO 149 15. 661 8. 472 19. 718 1. 00 90. 27 atoms 1154 CG PRO 149 16. 390 9. 238 18. 679 1. 00 89. 82 atoms 1155 C PRO 149 13. 922 9. 287 21. 290 1. 00 92. 03 atom 1156 O PRO 149 14. 706 9. 563 22. 184 1. 00 92. 21 atoms 1157 N GLU 150 12. 624 9. 089 21. 434 1. 00 93. 97 atoms 1158 CA GLU 150 11. 908 9. 290 22. 678 1. 00 95. 87 atoms 1159 CB GLU 150 12. 607 10. 394 23. 458 1. 00 98. 31 atoms 1160 CG GLU 150 12. 283 10. 605 24. 909 1. 00100. 68 atoms 1161 CD GLU 150 13. 046 11. 784 25. 491 1. 00101. 94 atoms 1162 OE1 GLU 150 14. 100 12. 163 24. 936 1. 00103. 08 atom 1163 OE2 GLU 150 12. 586 12. 335 26. 512 1. 00102. 49 atoms 1164 C GLU 150 10. 551 9. 839 22. 214 1. 00 96. 14 atoms 1165 O GLU 150 10. 269 9. 938 21. 018 1. 00 96. 34 atoms 1166 N LYS 151 9. 798 10. 273 23. 210 1. 00 96. 11 atoms 1167 CA LYS 151 8. 518 10. 915 22. 920 1. 00 95. 79 atoms 1168 CB LYS 151 7. 837 11. 311 24. 227 1. 00 97. 99 atoms 1169 CG LYS 151 7. 587 10. 140 25. 172 1. 00100. 01 atom 1170 CD LYS 151 7. 001 10. 581 26. 502 1. 00101. 48 atoms 1171 CE LYS 151 6. 709 9. 420 27. 440 1. 00102. 17 atoms 1172 NZ LYS 151 6. 204 9. 887 28. 765 1. 00102. 71 atoms 1173 C LYS 151 8. 818 12. 102 22. 007 1. 00 94. 58 atoms 1174 O LYS 151 9. 853 12. 756 22. 141 1. 00 94. 58 atoms 1175 N GLY 152 7. 952 12. 315 21. 024 1. 00 93. 28 atoms 1176 CA GLY 152 8. 065 13. 398 20. 078 1. 00 90. 94 atoms 1177 C GLY 152 8. 896 13. 133 18. 835 1. 00 89. 22 atoms 1178 O GLY 152 9. 680 12. 191 18. 725 1. 00 89. 83 atoms 1179 N GLY 153 8. 705 14. 031 17. 874 1. 00 86. 68 atoms 1180 CA GLY 153 9. 424 14. 027 16. 603 1. 00 82. 74 atoms 1181 C GLY 153 9. 381 15. 475 16. 105 1. 00 80. 15 atoms 1182 O GLY 153 8. 766 15. 739 15. 072 1. 00 80. 63 atoms 1183 N ARG 154 9. 948 16. 394 16. 873 1. 00 76. 37 atoms 1184 CA ARG 154 10. 009 17. 805 16. 578 1. 00 71. 79 atoms 1185 CB ARG 154 9. 312 18. 235 15. 288 1. 00 72. 12 atoms 1186 CG ARG 154 10. 132 18. 196 14. 015 1. 00 72. 47 atoms 1187 CD ARG 154 9. 313 17. 691 12. 848 1. 00 72. 65 atoms 1188 NE ARG 154 10. 077 17. 491 11. 629 1. 00 72. 61 atoms 1189 CZ ARG 154 10. 332 18. 435 10. 730 1. 00 72. 95 atoms 1190 NH1 ARG 154 9. 897 19. 679 10. 885 1. 00 72. 44 atoms 1191 NH2 ARG 154 11. 033 18. 166 9. 635 1. 00 73. 93 atoms 1192 C ARG 154 9. 446 18. 681 17. 702 1. 00 68. 33 atoms 1193 O ARG 154 8. 271 18. 596 18. 046 1. 00 68. 32 atoms 1194 N LYS 155 10. 310 19. 549 18. 221 1. 00 64. 59 atoms 1195 CA LYS 155 9. 865 20. 505 19. 240 1. 00 60. 19 atoms 1196 CB LYS 155 10. 800 20. 618 20. 424 1. 00 60. 37 atoms 1197 CG LYS 155 12. 220 21. 008 20. 070 1. 00 60. 21 atoms 1198 CD LYS 155 13. 191 20. 328 21. 039 1. 00 61. 19 atoms 1199 CE LYS 155 14. 606 20. 465 20. 485 1. 00 62. 47 atoms 1200 NZ LYS 155 14. 555 20. 269 19. 003 1. 00 63. 83 atoms 1201 C LYS 155 9. 660 21. 848 18. 536 1. 00 56. 40 atoms 1202 O LYS 155 10. 225 22. 133 17. 480 1. 00 56. 09 atom 1203 N PRO 156 8. 786 22. 662 19. 103 1. 00 53. 47 atoms 1204 CD PRO 156 8. 018 22. 421 20. 337 1. 00 52. 46 atoms 1205 CA PRO 156 8. 450 23. 938 18. 504 1. 00 52. 10 atoms 1206 CB PRO 156 7. 105 24. 296 19. 106 1. 00 51. 66 atoms 1207 CG PRO 156 6. 988 23. 512 20. 352 1. 00 52. 02 atom 1208 C PRO 156 9. 481 25. 033 18. 726 1. 00 50. 59 atoms 1209 O PRO 156 10. 326 24. 988 19. 614 1. 00 49. 69 atoms 1210 N ALA 157 9. 395 26. 013 17. 819 1. 00 48. 97 atoms 1211 CA ALA 157 10. 264 27. 173 17. 889 1. 00 47. 02 atom 1212 CB ALA 157 9. 804 28. 257 16. 918 1. 00 44. 00 atom 1213 C ALA 157 10. 247 27. 744 19. 307 1. 00 45. 89 atoms 1214 O ALA 157 9. 200 27. 794 19. 955 1. 00 44. 79 atoms 1215 N ARG 158 11. 423 28. 161 19. 745 1. 00 45. 07 atom 1216 CA ARG 158 11. 535 28. 855 21. 025 1. 00 45. 21 atoms 1217 CB ARG 158 12. 968 28. 810 21. 537 1. 00 51. 46 atoms 1218 CG ARG 158 13. 385 29. 911 22. 500 1. 00 58. 97 atoms 1219 CD ARG 158 12. 526 29. 950 23. 748 1. 00 64. 01 atom 1220 NE ARG 158 12. 826 31. 007 24. 715 1. 00 67. 26 atoms 1221 CZ ARG 158 11. 928 31. 343 25. 655 1. 00 71. 12 atoms 1222 NH1 ARG 158 10. 739 30. 728 25. 663 1. 00 72. 84 atoms 1223 NH2 ARG 158 12. 170 32. 295 26. 554 1. 00 70. 70 atoms 1224 C ARG 158 11. 057 30. 286 20. 764 1. 00 43. 32 atoms 1225 O ARG 158 11. 200 30. 832 19. 658 1. 00 44. 12 atoms 1226 N LEU 159 10. 445 30. 916 21. 737 1. 00 41. 55 atoms 1227 CA LEU 159 9. 974 32. 291 21. 595 1. 00 40. 40 atoms 1228 CB LEU 159 8. 595 32. 429 22. 256 1. 00 36. 54 atoms 1229 CG LEU 159 7. 489 31. 561 21. 657 1. 00 35. 48 atoms 1230 CD1 LEU 159 6. 182 31. 777 22. 401 1. 00 34. 89 atoms 1231 CD2 LEU 159 7. 323 31. 849 20. 164 1. 00 33. 42 atoms 1232 C LEU 159 10. 944 33. 251 22. 263 1. 00 39. 74 atoms 1233 O LEU 159 11. 415 32. 940 23. 358 1. 00 40. 34 atoms 1234 N ILE 160 11. 292 34. 373 21. 643 1. 00 39. 04 atom 1235 CA ILE 160 12. 170 35. 355 22. 261 1. 00 36. 86 atoms 1236 CB ILE 160 13. 505 35. 529 21. 530 1. 00 39. 67 atoms 1237 CG2 ILE 160 14. 326 34. 244 21. 530 1. 00 40. 57 atoms 1238 CG1 ILE 160 13. 282 36. 013 20. 099 1. 00 40. 36 atoms 1239 CD1 ILE 160 14. 542 36. 535 19. 428 1. 00 39. 21 atoms 1240 C ILE 160 11. 483 36. 716 22. 365 1. 00 35. 47 atoms 1241 O ILE 160 10. 699 37. 106 21. 493 1. 00 33. 81 atoms 1242 N VAL 161 11. 696 37. 401 23. 505 1. 00 34. 23 atoms 1243 CA VAL 161 11. 102 38. 720 23. 688 1. 00 33. 16 atoms 1244 CB VAL 161 9. 836 38. 801 24. 546 1. 00 32. 23 atoms 1245 CG1 VAL 161 9. 191 37. 458 24. 831 1. 00 29. 69 atoms 1246 CG2 VAL 161 9. 960 39. 632 25. 802 1. 00 32. 34 atoms 1247 C VAL 161 12. 187 39. 706 24. 110 1. 00 32. 49 atoms 1248 O VAL 161 12. 910 39. 410 25. 068 1. 00 32. 88 atoms 1249 N PHE 162 12. 314 40. 823 23. 405 1. 00 30. 58 atoms 1250 CA PHE 162 13. 368 41. 769 23. 719 1. 00 31. 04 atom 1251 CB PHE 162 14. 579 41. 504 22. 791 1. 00 26. 66 atoms 1252 CG PHE 162 14. 245 41. 472 21. 320 1. 00 23. 68 atoms 1253 CD1 PHE 162 14. 367 42. 580 20. 517 1. 00 24. 34 atoms 1254 CD2 PHE 162 13. 794 40. 302 20. 731 1. 00 23. 64 atoms 1255 CE1 PHE 162 14. 056 42. 541 19. 164 1. 00 25. 52 atoms 1256 CE2 PHE 162 13. 465 40. 247 19. 391 1. 00 25. 47 atoms 1257 CZ PHE 162 13. 603 41. 365 18. 587 1. 00 24. 73 atoms 1258 C PHE 162 12. 994 43. 240 23. 544 1. 00 31. 53 atoms 1259 O PHE 162 12. 274 43. 575 22. 601 1. 00 30. 99 atoms 1260 N PRO 163 13. 588 44. 072 24. 381 1. 00 31. 60 atoms 1261 CD PRO 163 14. 481 43. 695 25. 497 1. 00 32. 29 atoms 1262 CA PRO 163 13. 428 45. 519 24. 275 1. 00 32. 66 atoms 1263 CB PRO 163 14. 046 46. 038 25. 568 1. 00 32. 36 atoms 1264 CG PRO 163 15. 033 45. 004 25. 984 1. 00 31. 84 atoms 1265 C PRO 163 14. 156 45. 971 23. 014 1. 00 32. 16 atoms 1266 O PRO 163 14. 844 45. 203 22. 325 1. 00 33. 48 atoms 1267 N ASP 164 14. 025 47. 229 22. 664 1. 00 31. 19 atoms 1268 CA ASP 164 14. 670 47. 819 21. 490 1. 00 30. 65 atoms 1269 CB ASP 164 13. 891 49. 090 21. 128 1. 00 30. 44 atoms 1270 CG ASP 164 14. 457 49. 871 19. 959 1. 00 32. 84 atoms 1271 OD1 ASP 164 15. 167 50. 886 20. 174 1. 00 31. 69 atoms 1272 OD2 ASP 164 14. 225 49. 527 18. 770 1. 00 31. 65 atoms 1273 C ASP 164 16. 135 48. 166 21. 770 1. 00 29. 41 atom 1274 O ASP 164 16. 509 48. 413 22. 917 1. 00 27. 20 atoms 1275 N LEU 165 16. 954 48. 236 20. 729 1. 00 28. 63 atoms 1276 CA LEU 165 18. 369 48. 527 20. 841 1. 00 28. 79 atoms 1277 CB LEU 165 18. 934 48. 938 19. 468 1. 00 28. 92 atoms 1278 CG LEU 165 20. 333 48. 448 19. 106 1. 00 30. 49 atoms 1279 CD1 LEU 165 20. 931 49. 284 17. 985 1. 00 27. 44 atoms 1280 CD2 LEU 165 21. 276 48. 379 20. 294 1. 00 29. 85 atoms 1281 C LEU 165 18. 705 49. 616 21. 858 1. 00 28. 59 atoms 1282 O LEU 165 19. 543 49. 397 22. 735 1. 00 28. 47 atoms 1283 N GLY 166 18. 099 50. 796 21. 765 1. 00 27. 36 atoms 1284 CA GLY 166 18. 369 51. 919 22. 621 1. 00 26. 57 atoms 1285 C GLY 166 18. 282 51. 536 24. 089 1. 00 27. 07 atom 1286 O GLY 166 19. 186 51. 846 24. 871 1. 00 27. 43 atoms 1287 N VAL 167 17. 191 50. 882 24. 458 1. 00 26. 12 atoms 1288 CA VAL 167 16. 991 50. 372 25. 800 1. 00 25. 77 atoms 1289 CB VAL 167 15. 586 49. 747 25. 923 1. 00 23. 29 atoms 1290 CG1 VAL 167 15. 381 49. 080 27. 273 1. 00 18. 96 atoms 1291 CG2 VAL 167 14. 511 50. 795 25. 658 1. 00 21. 24 atoms 1292 C VAL 167 18. 025 49. 311 26. 182 1. 00 26. 68 atoms 1293 O VAL 167 18. 403 49. 248 27. 360 1. 00 26. 72 atoms 1294 N ARG 168 18. 489 48. 469 25. 269 1. 00 26. 68 atoms 1295 CA ARG 168 19. 459 47. 418 25. 582 1. 00 27. 27 atoms 1296 CB ARG 168 19. 694 46. 417 24. 448 1. 00 24. 53 atoms 1297 CG ARG 168 18. 436 45. 773 23. 878 1. 00 24. 37 atoms 1298 CD ARG 168 18. 678 44. 377 23. 265 1. 00 22. 09 atom 1299 NE ARG 168 19. 321 44. 543 21. 942 1. 00 23. 63 atoms 1300 CZ ARG 168 18. 685 44. 833 20. 820 1. 00 23. 07 atom 1301 NH1 ARG 168 17. 356 44. 984 20. 793 1. 00 24. 10 atoms 1302 NH2 ARG 168 19. 351 44. 959 19. 682 1. 00 23. 94 atoms 1303 C ARG 168 20. 785 48. 051 25. 991 1. 00 27. 36 atoms 1304 O ARG 168 21. 415 47. 555 26. 918 1. 00 28. 72 atoms 1305 N VAL 169 21. 190 49. 164 25. 384 1. 00 27. 03 atom 1306 CA VAL 169 22. 425 49. 838 25. 775 1. 00 25. 89 atoms 1307 CB VAL 169 22. 819 50. 911 24. 752 1. 00 26. 20 atoms 1308 CG1 VAL 169 24. 169 51. 525 25. 122 1. 00 24. 47 atoms 1309 CG2 VAL 169 22. 843 50. 365 23. 331 1. 00 23. 69 atoms 1310 C VAL 169 22. 258 50. 483 27. 153 1. 00 26. 25 atoms 1311 O VAL 169 23. 159 50. 519 27. 990 1. 00 25. 80 atoms 1312 N CYS 170 21. 066 51. 008 27. 432 1. 00 25. 63 atoms 1313 CA CYS 170 20. 711 51. 618 28. 706 1. 00 25. 33 atoms 1314 CB CYS 170 19. 366 52. 337 28. 638 1. 00 23. 90 atoms 1315 SG CYS 170 19. 372 53. 920 27. 742 1. 00 21. 71 atoms 1316 C CYS 170 20. 744 50. 562 29. 811 1. 00 25. 08 atom 1317 O CYS 170 21. 176 50. 841 30. 931 1. 00 25. 55 atoms 1318 N GLU 171 20. 373 49. 325 29. 470 1. 00 23. 47 atoms 1319 CA GLU 171 20. 443 48. 220 30. 404 1. 00 23. 16 atoms 1320 CB GLU 171 19. 915 46. 927 29. 791 1. 00 25. 03 atom 1321 CG GLU 171 18. 383 46. 881 29. 769 1. 00 26. 53 atoms 1322 CD GLU 171 17. 964 45. 479 29. 333 1. 00 28. 34 atoms 1323 OE1 GLU 171 17. 861 44. 601 30. 227 1. 00 26. 99 atoms 1324 OE2 GLU 171 17. 786 45. 359 28. 099 1. 00 26. 26 atoms 1325 C GLU 171 21. 906 48. 035 30. 798 1. 00 22. 69 atoms 1326 O GLU 171 22. 213 47. 945 31. 980 1. 00 22. 79 atoms 1327 N LYS 172 22. 822 48. 079 29. 832 1. 00 22. 81 atoms 1328 CA LYS 172 24. 239 47. 997 30. 175 1. 00 23. 43 atoms 1329 CB LYS 172 25. 134 47. 915 28. 931 1. 00 21. 94 atoms 1330 CG LYS 172 24. 938 46. 608 28. 184 1. 00 22. 99 atoms 1331 CD LYS 172 25. 926 46. 493 27. 035 1. 00 24. 09 atom 1332 CE LYS 172 25. 965 45. 052 26. 533 1. 00 24. 99 atoms 1333 NZ LYS 172 24. 617 44. 633 26. 029 1. 00 23. 60 atoms 1334 C LYS 172 24. 687 49. 160 31. 060 1. 00 23. 07 atom 1335 O LYS 172 25. 380 48. 926 32. 067 1. 00 23. 65 atoms 1336 N MET 173 24. 264 50. 385 30. 784 1. 00 22. 15 atoms 1337 CA MET 173 24. 716 51. 497 31. 615 1. 00 24. 27 atoms 1338 CB MET 173 24. 113 52. 855 31. 234 1. 00 22. 37 atoms 1339 CG MET 173 24. 435 53. 191 29. 782 1. 00 23. 33 atom 1340 SD MET 173 23. 491 54. 657 29. 266 1. 00 22. 78 atoms 1341 CE MET 173 22. 705 54. 026 27. 846 1. 00 25. 17 atoms 1342 C MET 173 24. 436 51. 264 33. 099 1. 00 23. 38 atoms 1343 O MET 173 25. 306 51. 526 33. 920 1. 00 22. 63 atoms 1344 N ALA 174 23. 221 50. 823 33. 370 1. 00 24. 08 atom 1345 CA ALA 174 22. 776 50. 595 34. 734 1. 00 24. 36 atoms 1346 CB ALA 174 21. 223 50. 495 34. 710 1. 00 23. 43 atoms 1347 C ALA 174 23. 248 49. 308 35. 376 1. 00 23. 71 atoms 1348 O ALA 174 23. 348 49. 307 36. 603 1. 00 23. 27 atoms 1349 N LEU 175 23. 351 48. 214 34. 610 1. 00 23. 24 atoms 1350 CA LEU 175 23. 558 46. 910 35. 243 1. 00 23. 43 atoms 1351 CB LEU 175 22. 235 46. 101 35. 090 1. 00 19. 85 atoms 1352 CG LEU 175 21. 082 46. 571 35. 997 1. 00 21. 30 atoms 1353 CD1 LEU 175 19. 722 46. 446 35. 303 1. 00 20. 92 atoms 1354 CD2 LEU 175 21. 062 45. 802 37. 315 1. 00 17. 62 atoms 1355 C LEU 175 24. 706 46. 086 34. 712 1. 00 23. 71 atoms 1356 O LEU 175 24. 918 44. 986 35. 242 1. 00 22. 87 atoms 1357 N TYR 176 25. 428 46. 587 33. 699 1. 00 23. 85 atoms 1358 CA TYR 176 26. 537 45. 793 33. 196 1. 00 24. 76 atoms 1359 CB TYR 176 27. 396 46. 517 32. 164 1. 00 24. 24 atoms 1360 CG TYR 176 28. 469 45. 609 31. 604 1. 00 23. 70 atoms 1361 CD1 TYR 176 28. 192 44. 765 30. 542 1. 00 25. 39 atoms 1362 CE1 TYR 176 29. 151 43. 921 30. 004 1. 00 24. 59 atoms 1363 CD2 TYR 176 29. 731 45. 570 32. 141 1. 00 24. 42 atoms 1364 CE2 TYR 176 30. 716 44. 743 31. 627 1. 00 25. 18 atoms 1365 CZ TYR 176 30. 420 43. 930 30. 553 1. 00 25. 15 atoms 1366 OH TYR 176 31. 394 43. 109 30. 035 1. 00 23. 81 atoms 1367 C TYR 176 27. 467 45. 373 34. 333 1. 00 25. 17 atoms 1368 O TYR 176 27. 849 44. 222 34. 486 1. 00 26. 16 atoms 1369 N ASP 177 27. 872 46. 342 35. 124 1. 00 26. 14 atoms 1370 CA ASP 177 28. 813 46. 177 36. 210 1. 00 28. 16 atoms 1371 CB ASP 177 29. 289 47. 582 36. 622 1. 00 26. 85 atoms 1372 CG ASP 177 30. 519 47. 463 37. 503 1. 00 29. 03 atom 1373 OD1 ASP 177 31. 468 46. 776 37. 086 1. 00 27. 87 atoms 1374 OD2 ASP 177 30. 497 48. 066 38. 592 1. 00 30. 70 atoms 1375 C ASP 177 28. 267 45. 371 37. 374 1. 00 28. 55 atoms 1376 O ASP 177 28. 995 44. 663 38. 067 1. 00 29. 26 atoms 1377 N VAL 178 26. 965 45. 383 37. 575 1. 00 29. 44 atoms 1378 CA VAL 178 26. 290 44. 615 38. 615 1. 00 30. 24 atoms 1379 CB VAL 178 24. 848 45. 147 38. 771 1. 00 28. 07 atom 1380 CG1 VAL 178 23. 930 44. 151 39. 465 1. 00 25. 12 atoms 1381 CG2 VAL 178 24. 946 46. 473 39. 515 1. 00 26. 85 atoms 1382 C VAL 178 26. 220 43. 147 38. 222 1. 00 31. 80 atoms 1383 O VAL 178 26. 691 42. 196 38. 838 1. 00 30. 97 atoms 1384 N VAL 179 25. 654 42. 968 37. 035 1. 00 32. 63 atoms 1385 CA VAL 179 25. 458 41. 663 36. 402 1. 00 34. 98 atoms 1386 CB VAL 179 24. 669 41. 979 35. 115 1. 00 33. 16 atoms 1387 CG1 VAL 179 25. 225 41. 365 33. 861 1. 00 27. 98 atoms 1388 CG2 VAL 179 23. 197 41. 679 35. 380 1. 00 30. 80 atoms 1389 C VAL 179 26. 784 40. 958 36. 239 1. 00 37. 79 atoms 1390 O VAL 179 26. 905 39. 726 36. 240 1. 00 38. 71 atoms 1391 N SER 180 27. 853 41. 728 36. 082 1. 00 39. 59 atoms 1392 CA SER 180 29. 209 41. 301 35. 932 1. 00 42. 67 atoms 1393 CB SER 180 30. 041 42. 560 35. 605 1. 00 44. 28 atom 1394 OG SER 180 31. 440 42. 346 35. 663 1. 00 43. 59 atoms 1395 C SER 180 29. 899 40. 683 37. 136 1. 00 43. 76 atoms 1396 O SER 180 30. 746 39. 807 36. 923 1. 00 45. 63 atoms 1397 N THR 181 29. 714 41. 212 38. 337 1. 00 43. 21 atom 1398 CA THR 181 30. 421 40. 760 39. 520 1. 00 42. 53 atoms 1399 CB THR 181 31. 307 41. 936 39. 999 1. 00 43. 48 atoms 1400 OG1 THR 181 30. 405 42. 959 40. 439 1. 00 46. 39 atoms 1401 CG2 THR 181 32. 147 42. 584 38. 913 1. 00 44. 93 atoms 1402 C THR 181 29. 603 40. 332 40. 727 1. 00 41. 82 atoms 1403 O THR 181 30. 134 39. 633 41. 595 1. 00 42. 60 atoms 1404 N LEU 182 28. 324 40. 646 40. 873 1. 00 40. 33 atom 1405 CA LEU 182 27. 491 40. 267 42. 004 1. 00 38. 76 atoms 1406 CB LEU 182 26. 196 41. 084 41. 944 1. 00 39. 19 atoms 1407 CG LEU 182 25. 008 40. 615 42. 779 1. 00 40. 58 atoms 1408 CD1 LEU 182 25. 205 40. 932 44. 251 1. 00 39. 89 atoms 1409 CD2 LEU 182 23. 724 41. 261 42. 272 1. 00 41. 35 atoms 1410 C LEU 182 27. 150 38. 789 42. 152 1. 00 37. 89 atoms 1411 O LEU 182 27. 169 38. 239 43. 266 1. 00 37. 41 atoms 1412 N PRO 183 26. 798 38. 101 41. 069 1. 00 35. 88 atoms 1413 CD PRO 183 26. 692 38. 654 39. 705 1. 00 35. 44 atoms 1414 CA PRO 183 26. 502 36. 684 41. 125 1. 00 35. 52 atoms 1415 CB PRO 183 26. 340 36. 276 39. 671 1. 00 35. 52 atoms 1416 CG PRO 183 26. 228 37. 513 38. 865 1. 00 35. 30 atoms 1417 C PRO 183 27. 614 35. 898 41. 803 1. 00 35. 13 atoms 1418 O PRO 183 27. 413 35. 154 42. 756 1. 00 34. 50 atoms 1419 N GLN 184 28. 857 36. 073 41. 362 1. 00 35. 21 atom 1420 CA GLN 184 30. 005 35. 361 41. 913 1. 00 34. 77 atoms 1421 CB GLN 184 31. 298 35. 829 41. 241 1. 00 38. 60 atoms 1422 CG GLN 184 32. 234 34. 739 40. 814 1. 00 43. 86 atoms 1423 CD GLN 184 33. 313 34. 371 41. 802 1. 00 48. 44 atoms 1424 OE1 GLN 184 34. 465 34. 294 41. 352 1. 00 48. 65 atoms 1425 NE2 GLN 184 33. 029 34. 140 43. 081 1. 00 48. 92 atoms 1426 C GLN 184 30. 131 35. 584 43. 414 1. 00 32. 86 atoms 1427 O GLN 184 30. 439 34. 650 44. 158 1. 00 32. 66 atoms 1428 N VAL 185 29. 934 36. 819 43. 853 1. 00 30. 61 atoms 1429 CA VAL 185 30. 054 37. 125 45. 278 1. 00 29. 54 atoms 1430 CB VAL 185 29. 968 38. 647 45. 532 1. 00 27. 09 atom 1431 CG1 VAL 185 29. 927 38. 945 47. 011 1. 00 25. 22 atoms 1432 CG2 VAL 185 31. 117 39. 385 44. 853 1. 00 22. 47 atoms 1433 C VAL 185 28. 972 36. 443 46. 099 1. 00 29. 28 atoms 1434 O VAL 185 29. 198 36. 001 47. 232 1. 00 29. 26 atoms 1435 N VAL 186 27. 750 36. 446 45. 593 1. 00 29. 09 atom 1436 CA VAL 186 26. 627 35. 899 46. 338 1. 00 30. 15 atoms 1437 CB VAL 186 25. 292 36. 408 45. 764 1. 00 29. 67 atoms 1438 CG1 VAL 186 24. 087 35. 743 46. 417 1. 00 30. 18 atoms 1439 CG2 VAL 186 25. 172 37. 927 45. 896 1. 00 29. 60 atoms 1440 C VAL 186 26. 653 34. 372 46. 307 1. 00 31. 70 atoms 1441 O VAL 186 26. 306 33. 702 47. 289 1. 00 31. 41 atoms 1442 N MET 187 27. 047 33. 820 45. 164 1. 00 31. 70 atoms 1443 CA MET 187 26. 987 32. 392 44. 940 1. 00 33. 11 atoms 1444 CB MET 187 26. 341 32. 132 43. 553 1. 00 34. 28 atoms 1445 CG MET 187 24. 885 32. 605 43. 541 1. 00 34. 57 atoms 1446 SD MET 187 24. 070 32. 396 41. 953 1. 00 33. 22 atoms 1447 CE MET 187 24. 772 33. 723 41. 010 1. 00 34. 90 atoms 1448 C MET 187 28. 294 31. 651 45. 076 1. 00 33. 52 atoms 1449 O MET 187 28. 264 30. 416 45. 172 1. 00 33. 72 atoms 1450 N GLY 188 29. 417 32. 355 45. 049 1. 00 33. 25 atoms 1451 CA GLY 188 30. 710 31. 704 45. 180 1. 00 33. 01 atom 1452 C GLY 188 30. 957 30. 673 44. 100 1. 00 33. 89 atoms 1453 O GLY 188 30. 602 30. 842 42. 925 1. 00 34. 45 atoms 1454 N SER 189 31. 559 29. 535 44. 451 1. 00 33. 10 atoms 1455 CA SER 189 31. 889 28. 486 43. 506 1. 00 33. 32 atoms 1456 CB SER 189 32. 643 27. 322 44. 184 1. 00 32. 00 atom 1457 OG SER 189 31. 794 26. 657 45. 098 1. 00 31. 26 atoms 1458 C SER 189 30. 715 27. 915 42. 730 1. 00 32. 57 atoms 1459 O SER 189 30. 999 27. 292 41. 701 1. 00 32. 83 atoms 1460 N SER 190 29. 471 28. 099 43. 135 1. 00 31. 96 atoms 1461 CA SER 190 28. 314 27. 601 42. 415 1. 00 31. 58 atoms 1462 CB SER 190 27. 036 27. 599 43. 273 1. 00 30. 10 atoms 1463 OG SER 190 27. 233 26. 799 44. 423 1. 00 33. 24 atoms 1464 C SER 190 28. 013 28. 441 41. 179 1. 00 31. 49 atoms 1465 O SER 190 27. 230 27. 959 40. 356 1. 00 31. 89 atoms 1466 N TYR 191 28. 547 29. 656 41. 092 1. 00 31. 65 atoms 1467 CA TYR 191 28. 296 30. 498 39. 918 1. 00 33. 01 atom 1468 CB TYR 191 28. 775 31. 924 40. 174 1. 00 33. 45 atoms 1469 CG TYR 191 28. 517 32. 860 39. 005 1. 00 34. 87 atoms 1470 CD1 TYR 191 27. 229 33. 068 38. 514 1. 00 34. 40 atoms 1471 CE1 TYR 191 27. 011 33. 937 37. 464 1. 00 34. 42 atoms 1472 CD2 TYR 191 29. 568 33. 552 38. 421 1. 00 35. 33 atom 1473 CE2 TYR 191 29. 349 34. 413 37. 362 1. 00 35. 36 atoms 1474 CZ TYR 191 28. 071 34. 603 36. 897 1. 00 35. 64 atoms 1475 OH TYR 191 27. 879 35. 480 35. 849 1. 00 38. 03 atom 1476 C TYR 191 29. 015 29. 936 38. 702 1. 00 33. 04 atom 1477 O TYR 191 30. 230 30. 109 38. 583 1. 00 34. 05 atom 1478 N GLY 192 28. 317 29. 215 37. 849 1. 00 33. 71 atoms 1479 CA GLY 192 28. 895 28. 522 36. 720 1. 00 35. 22 atoms 1480 C GLY 192 29. 687 29. 317 35. 712 1. 00 36. 79 atoms 1481 O GLY 192 30. 744 28. 854 35. 272 1. 00 37. 39 atoms 1482 N PHE 193 29. 233 30. 509 35. 314 1. 00 37. 16 atoms 1483 CA PHE 193 29. 910 31. 329 34. 337 1. 00 37. 88 atoms 1484 CB PHE 193 29. 023 32. 490 33. 857 1. 00 40. 40 atoms 1485 CG PHE 193 27. 755 32. 006 33. 203 1. 00 43. 20 atoms 1486 CD1 PHE 193 26. 567 32. 040 33. 923 1. 00 44. 55 atoms 1487 CD2 PHE 193 27. 741 31. 552 31. 898 1. 00 42. 25 atoms 1488 CE1 PHE 193 25. 374 31. 618 33. 361 1. 00 43. 85 atoms 1489 CE2 PHE 193 26. 562 31. 110 31. 336 1. 00 44. 52 atoms 1490 CZ PHE 193 25. 382 31. 142 32. 068 1. 00 45. 39 atoms 1491 C PHE 193 31. 270 31. 876 34. 730 1. 00 37. 20 atoms 1492 O PHE 193 31. 959 32. 352 33. 824 1. 00 36. 82 atoms 1493 N GLN 194 31. 745 31. 791 35. 960 1. 00 37. 24 atoms 1494 CA GLN 194 33. 075 32. 276 36. 299 1. 00 37. 75 atoms 1495 CB GLN 194 33. 277 32. 372 37. 821 1. 00 37. 47 atoms 1496 CG GLN 194 33. 301 31. 029 38. 525 1. 00 37. 92 atoms 1497 CD GLN 194 33. 166 31. 129 40. 023 1. 00 37. 87 atoms 1498 OE1 GLN 194 32. 102 30. 858 40. 591 1. 00 38. 09 atom 1499 NE2 GLN 194 34. 251 31. 522 40. 682 1. 00 38. 15 atoms 1500 C GLN 194 34. 162 31. 365 35. 732 1. 00 38. 86 atoms 1501 O GLN 194 35. 292 31. 810 35. 545 1. 00 38. 81 atoms 1502 N TYR 195 33. 847 30. 104 35. 466 1. 00 38. 48 atoms 1503 CA TYR 195 34. 793 29. 130 35. 012 1. 00 38. 71 atoms 1504 CB TYR 195 34. 303 27. 708 35. 416 1. 00 35. 34 atoms 1505 CG TYR 195 34. 044 27. 521 36. 885 1. 00 33. 34 atoms 1506 CD1 TYR 195 32. 775 27. 222 37. 374 1. 00 30. 48 atoms 1507 CE1 TYR 195 32. 554 27. 049 38. 717 1. 00 29. 26 atoms 1508 CD2 TYR 195 35. 081 27. 627 37. 807 1. 00 32. 84 atoms 1509 CE2 TYR 195 34. 863 27. 445 39. 159 1. 00 31. 95 atoms 1510 CZ TYR 195 33. 590 27. 166 39. 610 1. 00 31. 67 atoms 1511 OH TYR 195 33. 406 27. 020 40. 976 1. 00 32. 50 atoms 1512 C TYR 195 35. 106 28. 998 33. 530 1. 00 39. 50 atoms 1513 O TYR 195 34. 228 28. 882 32. 682 1. 00 40. 78 atoms 1514 N SER 196 36. 390 28. 794 33. 235 1. 00 40. 30 atoms 1515 CA SER 196 36. 785 28. 421 31. 878 1. 00 42. 95 atoms 1516 CB SER 196 38. 289 28. 496 31. 722 1. 00 43. 28 atoms 1517 OG SER 196 38. 930 27. 683 32. 697 1. 00 42. 81 atoms 1518 C SER 196 36. 310 26. 970 31. 745 1. 00 44. 87 atoms 1519 O SER 196 35. 903 26. 326 32. 721 1. 00 44. 98 atoms 1520 N PRO 197 36. 398 26. 395 30. 562 1. 00 46. 04 atom 1521 CD PRO 197 36. 875 27. 042 29. 313 1. 00 46. 52 atoms 1522 CA PRO 197 35. 950 25. 027 30. 348 1. 00 46. 02 atom 1523 CB PRO 197 36. 109 24. 806 28. 855 1. 00 46. 57 atoms 1524 CG PRO 197 37. 048 25. 861 28. 384 1. 00 46. 56 atoms 1525 C PRO 197 36. 776 24. 068 31. 189 1. 00 46. 02 atom 1526 O PRO 197 36. 233 23. 187 31. 857 1. 00 45. 86 atoms 1527 N GLY 198 38. 098 24. 259 31. 185 1. 00 44. 59 atoms 1528 CA GLY 198 39. 004 23. 434 31. 967 1. 00 42. 99 atoms 1529 C GLY 198 38. 737 23. 541 33. 462 1. 00 42. 19 atoms 1530 O GLY 198 38. 824 22. 572 34. 206 1. 00 42. 13 atoms 1531 N GLN 199 38. 394 24. 738 33. 938 1. 00 41. 97 atoms 1532 CA GLN 199 38. 064 25. 006 35. 327 1. 00 40. 16 atoms 1533 CB GLN 199 38. 038 26. 508 35. 582 1. 00 39. 85 atoms 1534 CG GLN 199 39. 372 27. 225 35. 578 1. 00 39. 97 atoms 1535 CD GLN 199 39. 171 28. 737 35. 544 1. 00 41. 46 atoms 1536 OE1 GLN 199 38. 239 29. 292 34. 960 1. 00 41. 70 atoms 1537 NE2 GLN 199 40. 058 29. 463 36. 209 1. 00 39. 98 atoms 1538 C GLN 199 36. 714 24. 399 35. 738 1. 00 38. 84 atoms 1539 O GLN 199 36. 569 24. 033 36. 902 1. 00 38. 24 atoms 1540 N ARG 200 35. 756 24. 288 34. 827 1. 00 36. 96 atoms 1541 CA ARG 200 34. 477 23. 669 35. 129 1. 00 35. 75 atoms 1542 CB ARG 200 33. 457 23. 895 34. 026 1. 00 35. 60 atoms 1543 CG ARG 200 32. 217 23. 019 34. 106 1. 00 38. 15 atoms 1544 CD ARG 200 31. 285 23. 372 32. 955 1. 00 39. 79 atoms 1545 NE ARG 200 29. 891 23. 069 33. 221 1. 00 40. 42 atoms 1546 CZ ARG 200 29. 065 23. 889 33. 862 1. 00 42. 22 atoms 1547 NH1 ARG 200 29. 452 25. 066 34. 337 1. 00 42. 11 atoms 1548 NH2 ARG 200 27. 804 23. 525 34. 047 1. 00 42. 72 atoms 1549 C ARG 200 34. 707 22. 173 35. 343 1. 00 35. 09 atom 1550 O ARG 200 34. 343 21. 624 36. 389 1. 00 34. 41 atom 1551 N VAL 201 35. 397 21. 545 34. 387 1. 00 34. 15 atoms 1552 CA VAL 201 35. 718 20. 116 34. 499 1. 00 33. 25 atoms 1553 CB VAL 201 36. 665 19. 710 33. 353 1. 00 33. 33 atom 1554 CG1 VAL 201 37. 437 18. 426 33. 629 1. 00 32. 32 atoms 1555 CG2 VAL 201 35. 844 19. 539 32. 076 1. 00 32. 58 atoms 1556 C VAL 201 36. 344 19. 825 35. 858 1. 00 32. 64 atoms 1557 O VAL 201 35. 928 18. 986 36. 635 1. 00 31. 44 atoms 1558 N GLU 202 37. 390 20. 574 36. 197 1. 00 32. 74 atoms 1559 CA GLU 202 38. 090 20. 471 37. 461 1. 00 33. 49 atoms 1560 CB GLU 202 39. 183 21. 527 37. 526 1. 00 35. 52 atoms 1561 CG GLU 202 39. 768 21. 794 38. 900 1. 00 39. 42 atoms 1562 CD GLU 202 40. 952 22. 738 38. 763 1. 00 43. 89 atoms 1563 OE1 GLU 202 42. 025 22. 306 38. 291 1. 00 46. 56 atoms 1564 OE2 GLU 202 40. 808 23. 930 39. 081 1. 00 47. 09 atom 1565 C GLU 202 37. 156 20. 635 38. 656 1. 00 33. 68 atoms 1566 O GLU 202 37. 220 19. 905 39. 657 1. 00 33. 03 atom 1567 N PHE 203 36. 293 21. 659 38. 560 1. 00 33. 67 atoms 1568 CA PHE 203 35. 318 21. 887 39. 618 1. 00 32. 51 atoms 1569 CB PHE 203 34. 482 23. 150 39. 411 1. 00 31. 28 atoms 1570 CG PHE 203 33. 586 23. 391 40. 606 1. 00 31. 35 atoms 1571 CD1 PHE 203 34. 129 23. 626 41. 857 1. 00 29. 80 atoms 1572 CD2 PHE 203 32. 208 23. 365 40. 462 1. 00 30. 73 atoms 1573 CE1 PHE 203 33. 309 23. 830 42. 956 1. 00 29. 54 atoms 1574 CE2 PHE 203 31. 382 23. 593 41. 553 1. 00 30. 11 atoms 1575 CZ PHE 203 31. 935 23. 809 42. 799 1. 00 29. 32 atoms 1576 C PHE 203 34. 402 20. 668 39. 793 1. 00 31. 59 atoms 1577 O PHE 203 34. 171 20. 287 40. 938 1. 00 30. 73 atoms 1578 N LEU 204 33. 927 20. 070 38. 715 1. 00 31. 00 atom 1579 CA LEU 204 33. 023 18. 924 38. 781 1. 00 31. 28 atoms 1580 CB LEU 204 32. 368 18. 642 37. 415 1. 00 30. 69 atoms 1581 CG LEU 204 31. 249 19. 613 37. 005 1. 00 32. 28 atoms 1582 CD1 LEU 204 30. 638 19. 305 35. 647 1. 00 30. 99 atoms 1583 CD2 LEU 204 30. 139 19. 601 38. 067 1. 00 33. 45 atoms 1584 C LEU 204 33. 737 17. 700 39. 346 1. 00 30. 48 atoms 1585 O LEU 204 33. 302 17. 083 40. 324 1. 00 29. 05 atom 1586 N VAL 205 34. 886 17. 388 38. 755 1. 00 30. 18 atoms 1587 CA VAL 205 35. 743 16. 295 39. 189 1. 00 30. 00 atom 1588 CB VAL 205 37. 011 16. 186 38. 313 1. 00 28. 83 atoms 1589 CG1 VAL 205 37. 863 15. 024 38. 798 1. 00 29. 40 atoms 1590 CG2 VAL 205 36. 628 15. 979 36. 855 1. 00 27. 25 atoms 1591 C VAL 205 36. 160 16. 434 40. 655 1. 00 30. 31 atoms 1592 O VAL 205 36. 049 15. 424 41. 384 1. 00 30. 22 atoms 1593 N ASN 206 36. 604 17. 607 41. 115 1. 00 29. 50 atoms 1594 CA ASN 206 37. 004 17. 700 42. 530 1. 00 30. 76 atoms 1595 CB ASN 206 37. 862 18. 916 42. 845 1. 00 29. 42 atoms 1596 CG ASN 206 39. 230 18. 929 42. 216 1. 00 30. 67 atoms 1597 OD1 ASN 206 39. 792 17. 884 41. 892 1. 00 30. 70 atoms 1598 ND2 ASN 206 39. 783 20. 134 42. 037 1. 00 30. 69 atoms 1599 C ASN 206 35. 829 17. 654 43. 506 1. 00 30. 12 atoms 1600 O ASN 206 35. 973 17. 169 44. 625 1. 00 30. 14 atoms 1601 N THR 207 34. 669 18. 155 43. 148 1. 00 30. 71 atoms 1602 CA THR 207 33. 490 18. 093 43. 996 1. 00 31. 87 atoms 1603 CB THR 207 32. 330 18. 890 43. 387 1. 00 31. 69 atoms 1604 OG1 THR 207 32. 699 20. 279 43. 268 1. 00 33. 18 atoms 1605 CG2 THR 207 31. 089 18. 755 44. 242 1. 00 31. 99 atoms 1606 C THR 207 33. 084 16. 621 44. 122 1. 00 33. 08 atom 1607 O THR 207 32. 935 16. 096 45. 222 1. 00 32. 62 atoms 1608 N TRP 208 32. 993 15. 947 42. 974 1. 00 33. 41 atom 1609 CA TRP 208 32. 631 14. 538 42. 920 1. 00 33. 63 atoms 1610 CB TRP 208 32. 650 14. 041 41. 467 1. 00 32. 15 atoms 1611 CG TRP 208 32. 081 12. 671 41. 303 1. 00 30. 93 atoms 1612 CD2 TRP 208 30. 699 12. 318 41. 228 1. 00 29. 25 atoms 1613 CE2 TRP 208 30. 635 10. 916 41. 078 1. 00 31. 13 atoms 1614 CE3 TRP 208 29. 512 13. 034 41. 269 1. 00 30. 56 atoms 1615 CD1 TRP 208 32. 787 11. 499 41. 181 1. 00 30. 68 atoms 1616 NE1 TRP 208 31. 928 10. 433 41. 048 1. 00 30. 82 atoms 1617 CZ2 TRP 208 29. 429 10. 240 40. 989 1. 00 30. 19 atoms 1618 CZ3 TRP 208 28. 307 12. 360 41. 184 1. 00 30. 44 atoms 1619 CH2 TRP 208 28. 269 10. 973 41. 038 1. 00 29. 20 atoms 1620 C TRP 208 33. 556 13. 677 43. 767 1. 00 33. 64 atoms 1621 O TRP 208 33. 113 12. 822 44. 537 1. 00 33. 39 atoms 1622 N LYS 209 34. 854 13. 926 43. 680 1. 00 34. 34 atoms 1623 CA LYS 209 35. 842 13. 151 44. 419 1. 00 35. 55 atoms 1624 CB LYS 209 37. 211 13. 214 43. 739 1. 00 36. 79 atoms 1625 CG LYS 209 37. 255 12. 334 42. 481 1. 00 37. 29 atoms 1626 CD LYS 209 38. 405 12. 740 41. 595 1. 00 36. 78 atoms 1627 CE LYS 209 38. 723 11. 703 40. 528 1. 00 38. 01 atom 1628 NZ LYS 209 40. 121 11. 930 40. 024 1. 00 37. 45 atoms 1629 C LYS 209 35. 946 13. 494 45. 893 1. 00 36. 04 atom 1630 O LYS 209 36. 487 12. 669 46. 616 1. 00 35. 22 atoms 1631 N SER 210 35. 403 14. 606 46. 349 1. 00 37. 38 atoms 1632 CA SER 210 35. 410 14. 978 47. 750 1. 00 38. 66 atoms 1633 CB SER 210 35. 244 16. 500 47. 901 1. 00 36. 64 atoms 1634 OG SER 210 34. 006 16. 903 47. 368 1. 00 37. 31 atom 1635 C SER 210 34. 332 14. 254 48. 544 1. 00 39. 97 atoms 1636 O SER 210 34. 425 14. 213 49. 780 1. 00 41. 73 atoms 1637 N LYS 211 33. 320 13. 682 47. 904 1. 00 40. 39 atoms 1638 CA LYS 211 32. 294 12. 966 48. 659 1. 00 40. 78 atoms 1639 CB LYS 211 30. 969 12. 844 47. 911 1. 00 39. 35 atoms 1640 CG LYS 211 30. 406 14. 114 47. 297 1. 00 36. 33 atoms 1641 CD LYS 211 30. 172 15. 145 48. 394 1. 00 32. 41 atoms 1642 CE LYS 211 30. 706 16. 494 47. 993 1. 00 33. 68 atoms 1643 NZ LYS 211 29. 726 17. 578 47. 767 1. 00 30. 46 atoms 1644 C LYS 211 32. 804 11. 548 48. 900 1. 00 41. 51 atoms 1645 O LYS 211 33. 529 11. 042 48. 035 1. 00 42. 27 atoms 1646 N LYS 212 32. 415 10. 956 50. 018 1. 00 42. 09 atom 1647 CA LYS 212 32. 813 9. 570 50. 260 1. 00 42. 73 atoms 1648 CB LYS 212 32. 647 9. 121 51. 700 1. 00 47. 67 atoms 1649 CG LYS 212 33. 835 9. 544 52. 573 1. 00 52. 77 atoms 1650 CD LYS 212 33. 410 10. 635 53. 557 1. 00 55. 96 atoms 1651 CE LYS 212 34. 486 11. 700 53. 694 1. 00 56. 85 atoms 1652 NZ LYS 212 34. 562 12. 538 52. 446 1. 00 58. 01 atom 1653 C LYS 212 32. 042 8. 668 49. 295 1. 00 41. 96 atoms 1654 O LYS 212 32. 661 7. 799 48. 693 1. 00 41. 86 atoms 1655 N ASN 213 30. 738 8. 855 49. 164 1. 00 40. 57 atoms 1656 CA ASN 213 29. 897 8. 132 48. 232 1. 00 40. 24 atoms 1657 CB ASN 213 28. 908 7. 156 48. 845 1. 00 43. 93 atoms 1658 CG ASN 213 29. 522 5. 957 49. 514 1. 00 46. 78 atoms 1659 OD1 ASN 213 29. 491 5. 860 50. 743 1. 00 48. 49 atoms 1660 ND2 ASN 213 30. 085 5. 028 48. 751 1. 00 48. 81 atoms 1661 C ASN 213 29. 061 9. 189 47. 478 1. 00 38. 36 atoms 1662 O ASN 213 28. 001 9. 567 47. 956 1. 00 36. 73 atoms 1663 N PRO 214 29. 593 9. 663 46. 357 1. 00 36. 90 atoms 1664 CD PRO 214 30. 897 9. 244 45. 766 1. 00 36. 04 atom 1665 CA PRO 214 28. 961 10. 704 45. 586 1. 00 34. 83 atoms 1666 CB PRO 214 29. 999 11. 069 44. 528 1. 00 34. 47 atoms 1667 CG PRO 214 30. 818 9. 848 44. 372 1. 00 35. 67 atoms 1668 C PRO 214 27. 667 10. 321 44. 905 1. 00 33. 48 atoms 1669 O PRO 214 27. 518 9. 241 44. 371 1. 00 32. 25 atoms 1670 N MET 215 26. 719 11. 247 44. 901 1. 00 32. 89 atoms 1671 CA MET 215 25. 448 11. 115 44. 209 1. 00 31. 22 atoms 1672 CB MET 215 24. 242 10. 733 45. 053 1. 00 29. 27 atoms 1673 CG MET 215 22. 935 10. 582 44. 293 1. 00 25. 54 atoms 1674 SD MET 215 22. 060 12. 125 43. 986 1. 00 24. 21 atom 1675 CE MET 215 21. 271 12. 381 45. 589 1. 00 26. 77 atoms 1676 C MET 215 25. 186 12. 495 43. 596 1. 00 30. 38 atoms 1677 O MET 215 25. 512 13. 467 44. 278 1. 00 30. 08 atom 1678 N GLY 216 24. 648 12. 506 42. 385 1. 00 30. 51 atoms 1679 CA GLY 216 24. 367 13. 763 41. 718 1. 00 30. 00 atom 1680 C GLY 216 23. 233 13. 688 40. 710 1. 00 30. 39 atoms 1681 O GLY 216 22. 832 12. 623 40. 232 1. 00 28. 99 atoms 1682 N PHE 217 22. 734 14. 895 40. 377 1. 00 30. 36 atoms 1683 CA PHE 217 21. 605 14. 973 39. 459 1. 00 29. 58 atoms 1684 CB PHE 217 20. 311 14. 655 40. 206 1. 00 25. 93 atoms 1685 CG PHE 217 19. 855 15. 599 41. 274 1. 00 25. 74 atoms 1686 CD1 PHE 217 20. 243 15. 387 42. 587 1. 00 25. 74 atoms 1687 CD2 PHE 217 19. 025 16. 690 41. 006 1. 00 24. 43 atoms 1688 CE1 PHE 217 19. 828 16. 213 43. 619 1. 00 25. 92 atoms 1689 CE2 PHE 217 18. 611 17. 534 42. 020 1. 00 24. 72 atoms 1690 CZ PHE 217 19. 000 17. 291 43. 327 1. 00 26. 23 atoms 1691 C PHE 217 21. 506 16. 365 38. 855 1. 00 30. 02 atom 1692 O PHE 217 21. 876 17. 336 39. 518 1. 00 30. 75 atoms 1693 N SER 218 20. 998 16. 409 37. 639 1. 00 29. 45 atoms 1694 CA SER 218 20. 743 17. 692 36. 996 1. 00 30. 72 atoms 1695 CB SER 218 21. 100 17. 649 35. 513 1. 00 28. 55 atoms 1696 OG SER 218 20. 526 16. 471 34. 951 1. 00 31. 16 atoms 1697 C SER 218 19. 243 17. 920 37. 218 1. 00 32. 13 atoms 1698 O SER 218 18. 495 16. 935 37. 362 1. 00 29. 92 atoms 1699 N TYR 219 18. 856 19. 199 37. 306 1. 00 33. 57 atoms 1700 CA TYR 219 17. 433 19. 485 37. 502 1. 00 34. 36 atoms 1701 CB TYR 219 17. 185 20. 246 38. 813 1. 00 34. 43 atoms 1702 CG TYR 219 15. 699 20. 396 39. 089 1. 00 34. 58 atoms 1703 CD1 TYR 219 14. 991 19. 339 39. 664 1. 00 34. 12 atoms 1704 CE1 TYR 219 13. 640 19. 446 39. 927 1. 00 33. 31 atom 1705 CD2 TYR 219 15. 010 21. 556 38. 772 1. 00 34. 04 atom 1706 CE2 TYR 219 13. 656 21. 675 39. 035 1. 00 33. 64 atoms 1707 CZ TYR 219 12. 979 20. 616 39. 609 1. 00 33. 80 atoms 1708 OH TYR 219 11. 627 20. 743 39. 855 1. 00 33. 27 atoms 1709 C TYR 219 16. 913 20. 281 36. 318 1. 00 34. 60 atoms 1710 O TYR 219 17. 396 21. 387 36. 092 1. 00 34. 60 atoms 1711 N ASP 220 15. 964 19. 741 35. 584 1. 00 35. 98 atoms 1712 CA ASP 220 15. 389 20. 432 34. 427 1. 00 37. 31 atom 1713 CB ASP 220 15. 172 19. 412 33. 306 1. 00 41. 24 atoms 1714 CG ASP 220 14. 571 19. 997 32. 050 1. 00 45. 42 atoms 1715 OD1 ASP 220 14. 383 19. 204 31. 091 1. 00 48. 98 atoms 1716 OD2 ASP 220 14. 275 21. 210 31. 991 1. 00 46. 14 atoms 1717 C ASP 220 14. 059 21. 097 34. 761 1. 00 36. 86 atoms 1718 O ASP 220 13. 007 20. 457 34. 856 1. 00 37. 13 atoms 1719 N THR 221 14. 092 22. 404 34. 944 1. 00 36. 41 atoms 1720 CA THR 221 12. 869 23. 156 35. 221 1. 00 36. 06 atom 1721 CB THR 221 13. 188 24. 585 35. 683 1. 00 34. 95 atoms 1722 OG1 THR 221 13. 759 24. 530 36. 996 1. 00 34. 38 atoms 1723 CG2 THR 221 11. 946 25. 463 35. 720 1. 00 33. 22 atoms 1724 C THR 221 12. 043 23. 190 33. 938 1. 00 36. 34 atoms 1725 O THR 221 12. 625 23. 405 32. 875 1. 00 34. 88 atoms 1726 N ARG 222 10. 731 22. 983 34. 039 1. 00 36. 98 atoms 1727 CA ARG 222 9. 884 23. 060 32. 844 1. 00 37. 57 atoms 1728 CB ARG 222 8. 508 22. 483 33. 148 1. 00 40. 99 atoms 1729 CG ARG 222 7. 479 22. 624 32. 026 1. 00 45. 90 atoms 1730 CD ARG 222 6. 087 22. 255 32. 521 1. 00 51. 30 atoms 1731 NE ARG 222 5. 301 23. 366 33. 056 1. 00 54. 33 atoms 1732 CZ ARG 222 4. 534 23. 272 34. 147 1. 00 54. 54 atoms 1733 NH1 ARG 222 4. 494 22. 117 34. 802 1. 00 53. 25 atoms 1734 NH2 ARG 222 3. 835 24. 316 34. 575 1. 00 54. 17 atoms 1735 C ARG 222 9. 753 24. 530 32. 427 1. 00 37. 27 atoms 1736 O ARG 222 9. 311 25. 326 33. 263 1. 00 36. 49 atoms 1737 N CYS 223 10. 165 24. 907 31. 223 1. 00 35. 83 atoms 1738 CA CYS 223 10. 044 26. 285 30. 761 1. 00 35. 59 atoms 1739 CB CYS 223 8. 614 26. 536 30. 244 1. 00 39. 03 atom 1740 SG CYS 223 8. 139 25. 610 28. 771 1. 00 42. 18 atoms 1741 C CYS 223 10. 322 27. 305 31. 856 1. 00 34. 38 atoms 1742 O CYS 223 9. 422 28. 052 32. 245 1. 00 34. 40 atoms 1743 N PHE 224 11. 549 27. 379 32. 335 1. 00 33. 26 atoms 1744 CA PHE 224 11. 987 28. 195 33. 439 1. 00 31. 12 atoms 1745 CB PHE 224 13. 508 28. 080 33. 648 1. 00 28. 63 atoms 1746 CG PHE 224 14. 020 28. 724 34. 906 1. 00 27. 69 atoms 1747 CD1 PHE 224 14. 219 27. 985 36. 066 1. 00 28. 36 atoms 1748 CD2 PHE 224 14. 310 30. 074 34. 943 1. 00 24. 89 atoms 1749 CE1 PHE 224 14. 692 28. 565 37. 228 1. 00 28. 03 atom 1750 CE2 PHE 224 14. 779 30. 664 36. 095 1. 00 26. 24 atoms 1751 CZ PHE 224 14. 980 29. 921 37. 237 1. 00 26. 41 atoms 1752 C PHE 224 11. 589 29. 654 33. 376 1. 00 31. 31 atoms 1753 O PHE 224 11. 119 30. 162 34. 403 1. 00 29. 83 atoms 1754 N ASP 225 11. 801 30. 329 32. 250 1. 00 31. 32 atoms 1755 CA ASP 225 11. 481 31. 747 32. 148 1. 00 31. 56 atoms 1756 CB ASP 225 11. 838 32. 314 30. 784 1. 00 30. 13 atoms 1757 CG ASP 225 13. 331 32. 424 30. 537 1. 00 31. 05 atom 1758 OD1 ASP 225 14. 122 32. 257 31. 480 1. 00 29. 58 atoms 1759 OD2 ASP 225 13. 714 32. 677 29. 369 1. 00 32. 57 atoms 1760 C ASP 225 10. 005 32. 014 32. 438 1. 00 32. 58 atoms 1761 O ASP 225 9. 650 32. 970 33. 147 1. 00 31. 78 atoms 1762 N SER 226 9. 118 31. 129 31. 984 1. 00 31. 71 atoms 1763 CA SER 226 7. 702 31. 360 32. 245 1. 00 33. 05 atom 1764 CB SER 226 6. 837 30. 722 31. 162 1. 00 32. 59 atoms 1765 OG SER 226 6. 479 29. 429 31. 569 1. 00 37. 12 atoms 1766 C SER 226 7. 324 30. 979 33. 665 1. 00 33. 65 atoms 1767 O SER 226 6. 243 31. 353 34. 148 1. 00 33. 81 atoms 1768 N THR 227 8. 212 30. 351 34. 435 1. 00 33. 15 atoms 1769 CA THR 227 7. 942 30. 041 35. 832 1. 00 32. 08 atom 1770 CB THR 227 8. 662 28. 748 36. 256 1. 00 32. 39 atoms 1771 OG1 THR 227 10. 056 29. 012 36. 439 1. 00 30. 64 atoms 1772 CG2 THR 227 8. 404 27. 685 35. 193 1. 00 29. 17 atoms 1773 C THR 227 8. 376 31. 179 36. 756 1. 00 32. 16 atoms 1774 O THR 227 7. 981 31. 229 37. 922 1. 00 30. 79 atoms 1775 N VAL 228 9. 182 32. 109 36. 241 1. 00 31. 23 atoms 1776 CA VAL 228 9. 666 33. 230 37. 011 1. 00 30. 64 atoms 1777 CB VAL 228 10. 735 34. 053 36. 276 1. 00 28. 53 atoms 1778 CG1 VAL 228 11. 236 35. 192 37. 165 1. 00 25. 31 atom 1779 CG2 VAL 228 11. 870 33. 141 35. 844 1. 00 28. 13 atoms 1780 C VAL 228 8. 495 34. 160 37. 348 1. 00 31. 86 atoms 1781 O VAL 228 7. 806 34. 634 36. 433 1. 00 30. 85 atoms 1782 N THR 229 8. 345 34. 453 38. 643 1. 00 31. 93 atoms 1783 CA THR 229 7. 226 35. 303 39. 030 1. 00 33. 44 atoms 1784 CB THR 229 6. 614 34. 874 40. 381 1. 00 30. 26 atoms 1785 OG1 THR 229 7. 629 35. 031 41. 384 1. 00 26. 91 atoms 1786 CG2 THR 229 6. 116 33. 441 40. 295 1. 00 29. 78 atoms 1787 C THR 229 7. 631 36. 757 39. 173 1. 00 35. 69 atoms 1788 O THR 229 8. 805 37. 109 39. 312 1. 00 35. 76 atoms 1789 N GLU 230 6. 601 37. 590 39. 340 1. 00 36. 59 atoms 1790 CA GLU 230 6. 804 39. 011 39. 616 1. 00 38. 22 atoms 1791 CB GLU 230 5. 472 39. 763 39. 736 1. 00 43. 15 atoms 1792 CG GLU 230 4. 426 39. 216 38. 784 1. 00 50. 30 atoms 1793 CD GLU 230 3. 273 40. 123 38. 424 1. 00 53. 76 atoms 1794 OE1 GLU 230 2. 529 39. 734 37. 488 1. 00 54. 09 atom 1795 OE2 GLU 230 3. 123 41. 201 39. 056 1. 00 54. 15 atoms 1796 C GLU 230 7. 541 39. 118 40. 952 1. 00 37. 04 atom 1797 O GLU 230 8. 419 39. 954 41. 187 1. 00 37. 47 atoms 1798 N ASN 231 7. 139 38. 241 41. 863 1. 00 35. 14 atoms 1799 CA ASN 231 7. 792 38. 143 43. 160 1. 00 35. 82 atoms 1800 CB ASN 231 7. 135 37. 067 44. 032 1. 00 37. 63 atoms 1801 CG ASN 231 8. 004 36. 655 45. 209 1. 00 42. 02 atom 1802 OD1 ASN 231 7. 950 37. 312 46. 264 1. 00 43. 08 atom 1803 ND2 ASN 231 8. 847 35. 616 45. 100 1. 00 41. 24 atoms 1804 C ASN 231 9. 276 37. 846 42. 934 1. 00 34. 56 atoms 1805 O ASN 231 10. 136 38. 510 43. 512 1. 00 34. 92 atoms 1806 N ASP 232 9. 601 36. 859 42. 100 1. 00 33. 75 atoms 1807 CA ASP 232 10. 990 36. 505 41. 834 1. 00 32. 93 atoms 1808 CB ASP 232 11. 156 35. 355 40. 838 1. 00 31. 55 atoms 1809 CG ASP 232 10. 499 34. 064 41. 257 1. 00 30. 67 atoms 1810 OD1 ASP 232 10. 500 33. 838 42. 480 1. 00 31. 79 atoms 1811 OD2 ASP 232 9. 998 33. 285 40. 421 1. 00 30. 40 atoms 1812 C ASP 232 11. 757 37. 717 41. 281 1. 00 31. 86 atoms 1813 O ASP 232 12. 867 37. 959 41. 741 1. 00 30. 27 atoms 1814 N ILE 233 11. 136 38. 429 40. 349 1. 00 30. 49 atoms 1815 CA ILE 233 11. 741 39. 577 39. 702 1. 00 31. 10 atoms 1816 CB ILE 233 11. 020 39. 982 38. 414 1. 00 28. 69 atoms 1817 CG2 ILE 233 11. 701 41. 187 37. 786 1. 00 26. 78 atoms 1818 CG1 ILE 233 11. 006 38. 795 37. 442 1. 00 28. 95 atoms 1819 CD1 ILE 233 9. 965 38. 879 36. 334 1. 00 29. 80 atoms 1820 C ILE 233 11. 911 40. 772 40. 636 1. 00 31. 88 atoms 1821 O ILE 233 12. 958 41. 424 40. 579 1. 00 30. 72 atoms 1822 N ARG 234 10. 964 40. 944 41. 558 1. 00 31. 85 atoms 1823 CA ARG 234 11. 089 41. 991 42. 564 1. 00 32. 92 atoms 1824 CB ARG 234 9. 740 42. 274 43. 233 1. 00 33. 58 atoms 1825 CG ARG 234 8. 698 42. 868 42. 278 1. 00 33. 48 atoms 1826 CD ARG 234 7. 527 43. 477 43. 065 1. 00 32. 42 atoms 1827 NE ARG 234 6. 594 44. 142 42. 154 1. 00 32. 66 atoms 1828 CZ ARG 234 6. 830 45. 320 41. 589 1. 00 33. 63 atoms 1829 NH1 ARG 234 7. 960 45. 972 41. 857 1. 00 33. 80 atoms 1830 NH2 ARG 234 5. 994 45. 908 40. 743 1. 00 31. 53 atoms 1831 C ARG 234 12. 121 41. 535 43. 595 1. 00 34. 02 atom 1832 O ARG 234 12. 855 42. 344 44. 190 1. 00 33. 93 atoms 1833 N VAL 235 12. 207 40. 202 43. 782 1. 00 32. 95 atoms 1834 CA VAL 235 13. 224 39. 696 44. 706 1. 00 33. 27 atoms 1835 CB VAL 235 12. 994 38. 226 45. 073 1. 00 33. 69 atoms 1836 CG1 VAL 235 14. 233 37. 542 45. 623 1. 00 31. 65 atoms 1837 CG2 VAL 235 11. 870 38. 123 46. 116 1. 00 31. 75 atoms 1838 C VAL 235 14. 609 39. 997 44. 140 1. 00 33. 47 atoms 1839 O VAL 235 15. 457 40. 482 44. 904 1. 00 33. 59 atoms 1840 N GLU 236 14. 844 39. 785 42. 846 1. 00 33. 23 atoms 1841 CA GLU 236 16. 147 40. 042 42. 254 1. 00 34. 27 atoms 1842 CB GLU 236 16. 245 39. 721 40. 749 1. 00 36. 16 atoms 1843 CG GLU 236 15. 399 38. 554 40. 315 1. 00 41. 35 atoms 1844 CD GLU 236 15. 380 38. 225 38. 843 1. 00 43. 16 atoms 1845 OE1 GLU 236 15. 724 39. 125 38. 040 1. 00 44. 54 atoms 1846 OE2 GLU 236 15. 046 37. 051 38. 520 1. 00 42. 79 atoms 1847 C GLU 236 16. 524 41. 516 42. 429 1. 00 33. 20 atoms 1848 O GLU 236 17. 639 41. 872 42. 793 1. 00 32. 00 atom 1849 N GLU 237 15. 564 42. 382 42. 114 1. 00 32. 70 atoms 1850 CA GLU 237 15. 742 43. 822 42. 250 1. 00 32. 35 atoms 1851 CB GLU 237 14. 415 44. 478 41. 933 1. 00 33. 85 atoms 1852 CG GLU 237 14. 526 45. 899 41. 476 1. 00 37. 22 atoms 1853 CD GLU 237 14. 175 46. 928 42. 518 1. 00 40. 18 atoms 1854 OE1 GLU 237 14. 050 48. 101 42. 108 1. 00 41. 00 atom 1855 OE2 GLU 237 14. 045 46. 565 43. 704 1. 00 41. 00 atom 1856 C GLU 237 16. 214 44. 188 43. 649 1. 00 32. 24 atoms 1857 O GLU 237 17. 238 44. 866 43. 798 1. 00 32. 51 atoms 1858 N SER 238 15. 566 43. 649 44. 690 1. 00 31. 11 atoms 1859 CA SER 238 16. 030 43. 908 46. 050 1. 00 30. 88 atoms 1860 CB SER 238 15. 089 43. 406 47. 141 1. 00 29. 74 atoms 1861 OG SER 238 15. 187 42. 011 47. 345 1. 00 34. 88 atoms 1862 C SER 238 17. 450 43. 374 46. 209 1. 00 30. 13 atoms 1863 O SER 238 18. 274 44. 024 46. 876 1. 00 30. 47 atoms 1864 N ILE 239 17. 788 42. 242 45. 590 1. 00 29. 38 atoms 1865 CA ILE 239 19. 187 41. 790 45. 668 1. 00 29. 93 atoms 1866 CB ILE 239 19. 381 40. 378 45. 121 1. 00 29. 85 atoms 1867 CG2 ILE 239 20. 851 39. 979 45. 135 1. 00 29. 33 atom 1868 CG1 ILE 239 18. 549 39. 398 45. 958 1. 00 28. 55 atoms 1869 CD1 ILE 239 18. 533 37. 978 45. 418 1. 00 28. 71 atoms 1870 C ILE 239 20. 086 42. 831 45. 002 1. 00 29. 87 atoms 1871 O ILE 239 21. 023 43. 339 45. 640 1. 00 29. 57 atoms 1872 N TYR 240 19. 754 43. 282 43. 798 1. 00 30. 19 atoms 1873 CA TYR 240 20. 512 44. 326 43. 117 1. 00 31. 40 atoms 1874 CB TYR 240 19. 931 44. 772 41. 774 1. 00 30. 94 atoms 1875 CG TYR 240 19. 771 43. 671 40. 752 1. 00 32. 31 atom 1876 CD1 TYR 240 18. 732 43. 698 39. 826 1. 00 33. 66 atoms 1877 CE1 TYR 240 18. 581 42. 679 38. 890 1. 00 33. 95 atoms 1878 CD2 TYR 240 20. 642 42. 592 40. 722 1. 00 32. 10 atoms 1879 CE2 TYR 240 20. 506 41. 581 39. 804 1. 00 32. 52 atoms 1880 CZ TYR 240 19. 478 41. 631 38. 889 1. 00 33. 26 atoms 1881 OH TYR 240 19. 349 40. 603 37. 986 1. 00 33. 98 atoms 1882 C TYR 240 20. 677 45. 572 43. 984 1. 00 31. 59 atoms 1883 O TYR 240 21. 810 46. 031 44. 154 1. 00 31. 55 atoms 1884 N GLN 241 19. 590 46. 071 44. 566 1. 00 31. 05 atom 1885 CA GLN 241 19. 617 47. 250 45. 416 1. 00 31. 74 atoms 1886 CB GLN 241 18. 204 47. 800 45. 673 1. 00 30. 62 atoms 1887 CG GLN 241 17. 373 48. 094 44. 428 1. 00 31. 27 atoms 1888 CD GLN 241 17. 687 49. 440 43. 810 1. 00 31. 51 atoms 1889 OE1 GLN 241 18. 495 50. 187 44. 368 1. 00 33. 92 atoms 1890 NE2 GLN 241 17. 099 49. 809 42. 673 1. 00 30. 90 atoms 1891 C GLN 241 20. 366 47. 076 46. 730 1. 00 31. 69 atoms 1892 O GLN 241 20. 681 48. 096 47. 366 1. 00 32. 51 atoms 1893 N CYS 242 20. 799 45. 895 47. 158 1. 00 31. 74 atoms 1894 CA CYS 242 21. 630 45. 684 48. 332 1. 00 30. 46 atoms 1895 CB CYS 242 21. 713 44. 212 48. 751 1. 00 32. 06 atom 1896 SG CYS 242 20. 263 43. 562 49. 650 1. 00 31. 70 atoms 1897 C CYS 242 23. 060 46. 160 48. 054 1. 00 30. 83 atoms 1898 O CYS 242 23. 850 46. 463 48. 951 1. 00 30. 90 atoms 1899 N CYS 243 23. 433 46. 203 46. 779 1. 00 29. 93 atoms 1900 CA CYS 243 24. 724 46. 659 46. 330 1. 00 29. 97 atoms 1901 CB CYS 243 24. 892 46. 466 44. 819 1. 00 28. 11 atoms 1902 SG CYS 243 24. 884 44. 790 44. 155 1. 00 25. 48 atoms 1903 C CYS 243 24. 884 48. 150 46. 649 1. 00 29. 91 atoms 1904 O CYS 243 23. 909 48. 882 46. 848 1. 00 29. 91 atoms 1905 N ASP 244 26. 132 48. 584 46. 687 1. 00 29. 89 atoms 1906 CA ASP 244 26. 412 50. 022 46. 879 1. 00 30. 38 atoms 1907 CB ASP 244 27. 725 50. 228 47. 608 1. 00 32. 08 Atom 1908 CG ASP 244 28. 160 51. 661 47. 767 1. 00 34. 38 atoms 1909 OD1 ASP 244 27. 452 52. 617 47. 387 1. 00 36. 57 atoms 1910 OD2 ASP 244 29. 279 51. 846 48. 303 1. 00 37. 77 atoms 1911 C ASP 244 26. 425 50. 584 45. 458 1. 00 29. 68 atoms 1912 O ASP 244 27. 334 50. 301 44. 681 1. 00 28. 69 atoms 1913 N LEU 245 25. 345 51. 262 45. 084 1. 00 30. 49 atoms 1914 CA LEU 245 25. 220 51. 755 43. 719 1. 00 31. 01 atom 1915 CB LEU 245 23. 999 51. 127 43. 049 1. 00 28. 53 atoms 1916 CG LEU 245 23. 775 49. 624 43. 151 1. 00 27. 96 atoms 1917 CD1 LEU 245 22. 293 49. 294 42. 927 1. 00 27. 18 atoms 1918 CD2 LEU 245 24. 661 48. 892 42. 149 1. 00 26. 51 atoms 1919 C LEU 245 25. 108 53. 271 43. 701 1. 00 31. 97 atoms 1920 O LEU 245 24. 868 53. 858 44. 755 1. 00 33. 52 atoms 1921 N ALA 246 25. 289 53. 886 42. 544 1. 00 31. 24 atoms 1922 CA ALA 246 25. 139 55. 324 42. 419 1. 00 32. 14 atoms 1923 CB ALA 246 25. 867 55. 806 41. 171 1. 00 28. 13 atoms 1924 C ALA 246 23. 651 55. 647 42. 338 1. 00 33. 72 atoms 1925 O ALA 246 22. 848 54. 945 41. 698 1. 00 33. 92 atoms 1926 N PRO 247 23. 227 56. 755 42. 943 1. 00 34. 03 atom 1927 CD PRO 247 24. 074 57. 648 43. 771 1. 00 33. 46 atoms 1928 CA PRO 247 21. 834 57. 188 42. 955 1. 00 34. 03 atom 1929 CB PRO 247 21. 902 58. 639 43. 430 1. 00 32. 55 atoms 1930 CG PRO 247 23. 089 58. 651 44. 335 1. 00 33. 43 atoms 1931 C PRO 247 21. 099 57. 062 41. 639 1. 00 34. 44 atoms 1932 O PRO 247 19. 908 56. 729 41. 614 1. 00 34. 98 atoms 1933 N GLU 248 21. 736 57. 341 40. 515 1. 00 34. 23 atoms 1934 CA GLU 248 21. 116 57. 236 39. 205 1. 00 34. 73 atoms 1935 CB GLU 248 21. 970 57. 982 38. 210 1. 00 36. 30 atoms 1936 CG GLU 248 21. 351 58. 821 37. 130 1. 00 38. 23 atoms 1937 CD GLU 248 22. 445 59. 391 36. 234 1. 00 41. 03 atom 1938 OE1 GLU 248 23. 573 59. 610 36. 751 1. 00 43. 01 atom 1939 OE2 GLU 248 22. 186 59. 600 35. 028 1. 00 39. 89 atoms 1940 C GLU 248 20. 953 55. 767 38. 808 1. 00 34. 35 atoms 1941 O GLU 248 19. 999 55. 462 38. 080 1. 00 34. 67 atoms 1942 N ALA 249 21. 858 54. 890 39. 249 1. 00 32. 72 atoms 1943 CA ALA 249 21. 725 53. 473 38. 913 1. 00 31. 73 atoms 1944 CB ALA 249 22. 940 52. 633 39. 288 1. 00 29. 30 atoms 1945 C ALA 249 20. 522 52. 876 39. 643 1. 00 30. 31 atoms 1946 O ALA 249 19. 744 52. 171 39. 005 1. 00 30. 58 atoms 1947 N ARG 250 20. 365 53. 211 40. 917 1. 00 29. 18 atoms 1948 CA ARG 250 19. 256 52. 680 41. 711 1. 00 28. 53 atoms 1949 CB ARG 250 19. 203 53. 183 43. 149 1. 00 26. 75 atoms 1950 CG ARG 250 20. 409 52. 915 44. 029 1. 00 26. 39 atoms 1951 CD ARG 250 20. 163 53. 350 45. 483 1. 00 27. 42 atoms 1952 NE ARG 250 21. 282 52. 881 46. 282 1. 00 27. 05 atom 1953 CZ ARG 250 21. 578 51. 630 46. 616 1. 00 28. 38 atoms 1954 NH1 ARG 250 20. 797 50. 603 46. 255 1. 00 27. 62 atoms 1955 NH2 ARG 250 22. 703 51. 446 47. 312 1. 00 24. 31 atoms 1956 C ARG 250 17. 950 52. 988 40. 987 1. 00 27. 94 atoms 1957 O ARG 250 17. 163 52. 081 40. 743 1. 00 27. 27 atoms 1958 N GLN 251 17. 781 54. 252 40. 617 1. 00 28. 58 atoms 1959 CA GLN 251 16. 601 54. 714 39. 896 1. 00 29. 25 atoms 1960 CB GLN 251 16. 664 56. 231 39. 684 1. 00 27. 02 atom 1961 CG GLN 251 15. 497 56. 809 38. 890 1. 00 29. 30 atoms 1962 CD GLN 251 14. 307 57. 164 39. 765 1. 00 29. 04 atom 1963 OE1 GLN 251 14. 238 56. 718 40. 912 1. 00 28. 49 atoms 1964 NE2 GLN 251 13. 371 57. 956 39. 263 1. 00 27. 91 atoms 1965 C GLN 251 16. 397 54. 064 38. 532 1. 00 28. 87 atoms 1966 O GLN 251 15. 265 53. 730 38. 167 1. 00 29. 21 atoms 1967 N ALA 252 17. 449 53. 863 37. 745 1. 00 29. 00 atom 1968 CA ALA 252 17. 249 53. 226 36. 430 1. 00 29. 47 atoms 1969 CB ALA 252 18. 441 53. 450 35. 516 1. 00 27. 63 atoms 1970 C ALA 252 16. 941 51. 741 36. 614 1. 00 29. 33 atoms 1971 O ALA 252 16. 224 51. 132 35. 803 1. 00 28. 78 atoms 1972 N ILE 253 17. 486 51. 163 37. 688 1. 00 28. 79 atoms 1973 CA ILE 253 17. 257 49. 740 37. 968 1. 00 29. 82 atoms 1974 CB ILE 253 18. 278 49. 212 38. 983 1. 00 29. 96 atoms 1975 CG2 ILE 253 17. 882 47. 861 39. 572 1. 00 30. 14 atoms 1976 CG1 ILE 253 19. 682 49. 151 38. 357 1. 00 27. 97 atoms 1977 CD1 ILE 253 20. 781 48. 987 39. 394 1. 00 25. 16 atoms 1978 C ILE 253 15. 820 49. 516 38. 431 1. 00 30. 68 atoms 1979 O ILE 253 15. 144 48. 602 37. 969 1. 00 29. 43 atoms 1980 N LYS 254 15. 276 50. 401 39. 271 1. 00 31. 45 atoms 1981 CA LYS 254 13. 877 50. 260 39. 707 1. 00 31. 70 atoms 1982 CB LYS 254 13. 590 51. 263 40. 818 1. 00 30. 17 atoms 1983 CG LYS 254 12. 179 51. 789 40. 901 1. 00 32. 54 atoms 1984 CD LYS 254 11. 911 52. 734 42. 063 1. 00 33. 51 atoms 1985 CE LYS 254 12. 456 54. 129 41. 780 1. 00 35. 02 Atomic 1986 NZ LYS 254 11. 537 55. 177 42. 319 1. 00 38. 11 atoms 1987 C LYS 254 12. 988 50. 453 38. 484 1. 00 31. 76 atoms 1988 O LYS 254 12. 042 49. 741 38. 158 1. 00 32. 10 atoms 1989 N SER 255 13. 292 51. 524 37. 752 1. 00 31. 34 atoms 1990 CA SER 255 12. 532 51. 837 36. 554 1. 00 32. 23 atoms 1991 CB SER 255 13. 111 53. 087 35. 898 1. 00 31. 85 atoms 1992 OG SER 255 12. 188 53. 573 34. 941 1. 00 33. 85 atoms 1993 C SER 255 12. 514 50. 677 35. 560 1. 00 31. 80 atoms 1994 O SER 255 11. 458 50. 270 35. 064 1. 00 31. 55 atoms 1995 N LEU 256 13. 682 50. 101 35. 268 1. 00 31. 94 atoms 1996 CA LEU 256 13. 761 48. 981 34. 333 1. 00 30. 51 atoms 1997 CB LEU 256 15. 179 48. 567 33. 940 1. 00 30. 00 atom 1998 CG LEU 256 15. 995 49. 520 33. 068 1. 00 30. 40 atoms 1999 CD1 LEU 256 17. 481 49. 171 33. 103 1. 00 28. 92 atoms 2000 CD2 LEU 256 15. 495 49. 518 31. 624 1. 00 28. 39 atoms 2001 C LEU 256 13. 013 47. 776 34. 886 1. 00 29. 34 atoms 2002 O LEU 256 12. 424 47. 067 34. 055 1. 00 28. 40 atoms 2003 N THR 257 13. 021 47. 511 36. 195 1. 00 29. 37 atoms 2004 CA THR 257 12. 276 46. 336 36. 630 1. 00 30. 23 atoms 2005 CB THR 257 12. 759 45. 589 37. 868 1. 00 33. 02 Atom 2006 OG1 THR 257 11. 735 45. 568 38. 879 1. 00 36. 13 atoms 2007 CG2 THR 257 14. 099 46. 016 38. 362 1. 00 27. 89 atoms 2008 C THR 257 10. 766 46. 556 36. 662 1. 00 30. 84 atoms 2009 O THR 257 10. 069 45. 601 36. 273 1. 00 30. 66 atoms 2010 N GLU 258 10. 273 47. 754 36. 941 1. 00 30. 17 atoms 2011 CA GLU 258 8. 858 48. 037 36. 900 1. 00 30. 50 atoms 2012 CB GLU 258 8. 532 49. 424 37. 484 1. 00 33. 29 atoms 2013 CG GLU 258 8. 508 49. 513 39. 001 1. 00 35. 92 atoms 2014 CD GLU 258 7. 451 48. 609 39. 598 1. 00 36. 56 atoms 2015 OE1 GLU 258 6. 355 48. 501 39. 014 1. 00 39. 71 atoms 2016 OE2 GLU 258 7. 771 48. 021 40. 639 1. 00 38. 35 atoms 2017 C GLU 258 8. 289 48. 121 35. 477 1. 00 30. 58 atoms 2018 O GLU 258 7. 112 47. 804 35. 264 1. 00 28. 37 atoms 2019 N ARG 259 9. 133 48. 628 34. 555 1. 00 29. 58 atoms 2020 CA ARG 259 8. 625 48. 879 33. 213 1. 00 28. 63 atoms 2021 CB ARG 259 9. 170 50. 226 32. 688 1. 00 29. 39 atoms 2022 CG ARG 259 8. 813 51. 405 33. 589 1. 00 28. 34 atoms 2023 CD ARG 259 9. 389 52. 741 33. 148 1. 00 28. 75 atoms 2024 NE ARG 259 9. 217 53. 065 31. 749 1. 00 28. 65 atoms 2025 CZ ARG 259 9. 751 54. 053 31. 061 1. 00 28. 28 atoms 2026 NH1 ARG 259 10. 544 54. 948 31. 636 1. 00 28. 28 atoms 2027 NH2 ARG 259 9. 495 54. 181 29. 759 1. 00 28. 16 atoms 2028 C ARG 259 8. 925 47. 807 32. 193 1. 00 28. 58 atoms 2029 O ARG 259 8. 266 47. 811 31. 151 1. 00 27. 71 atoms 2030 N LEU 260 9. 918 46. 973 32. 460 1. 00 29. 20 atoms 2031 CA LEU 260 10. 341 45. 981 31. 478 1. 00 29. 41 atoms 2032 CB LEU 260 11. 684 46. 447 30. 923 1. 00 29. 72 atoms 2033 CG LEU 260 12. 197 46. 039 29. 549 1. 00 31. 17 atoms 2034 CD1 LEU 260 13. 721 45. 947 29. 599 1. 00 29. 50 atoms 2035 CD2 LEU 260 11. 561 44. 796 28. 961 1. 00 30. 71 atoms 2036 C LEU 260 10. 485 44. 581 32. 055 1. 00 29. 19 atoms 2037 O LEU 260 9. 897 43. 646 31. 519 1. 00 29. 29 atoms 2038 N TYR 261 11. 272 44. 385 33. 097 1. 00 29. 50 atoms 2039 CA TYR 261 11. 538 43. 066 33. 645 1. 00 30. 04 atom 2040 CB TYR 261 12. 633 43. 157 34. 719 1. 00 29. 84 atoms 2041 CG TYR 261 13. 948 43. 713 34. 194 1. 00 28. 50 atoms 2042 CD1 TYR 261 14. 269 43. 578 32. 850 1. 00 27. 55 atoms 2043 CE1 TYR 261 15. 449 44. 069 32. 345 1. 00 27. 36 atoms 2044 CD2 TYR 261 14. 864 44. 342 35. 028 1. 00 26. 74 atoms 2045 CE2 TYR 261 16. 053 44. 812 34. 526 1. 00 26. 27 atoms 2046 CZ TYR 261 16. 349 44. 670 33. 192 1. 00 26. 36 atoms 2047 OH TYR 261 17. 513 45. 143 32. 636 1. 00 26. 74 atoms 2048 C TYR 261 10. 341 42. 343 34. 226 1. 00 31. 33 atom 2049 O TYR 261 10. 176 41. 155 33. 938 1. 00 31. 94 atoms 2050 N ILE 262 9. 512 43. 031 35. 002 1. 00 31. 51 atoms 2051 CA ILE 262 8. 357 42. 417 35. 627 1. 00 32. 29 atoms 2052 CB ILE 262 7. 743 43. 326 36. 693 1. 00 37. 27 atoms 2053 CG2 ILE 262 6. 984 44. 508 36. 088 1. 00 39. 35 atoms 2054 CG1 ILE 262 6. 813 42. 487 37. 579 1. 00 41. 12 atoms 2055 CD1 ILE 262 6. 561 43. 178 38. 906 1. 00 45. 20 atoms 2056 C ILE 262 7. 341 41. 941 34. 609 1. 00 31. 85 atoms 2057 O ILE 262 6. 662 40. 931 34. 827 1. 00 31. 62 atoms 2058 N GLY 263 7. 243 42. 593 33. 457 1. 00 31. 76 atoms 2059 CA GLY 263 6. 296 42. 129 32. 443 1. 00 31. 63 atoms 2060 C GLY 263 6. 027 43. 263 31. 466 1. 00 32. 65 atoms 2061 O GLY 263 6. 658 44. 315 31. 602 1. 00 32. 33 atoms 2062 N GLY 264 5. 093 43. 054 30. 536 1. 00 32. 81 atoms 2063 CA GLY 264 4. 775 44. 099 29. 582 1. 00 33. 45 atoms 2064 C GLY 264 4. 121 43. 577 28. 315 1. 00 34. 18 atoms 2065 O GLY 264 3. 856 42. 380 28. 182 1. 00 35. 43 atoms 2066 N PRO 265 3. 774 44. 486 27. 412 1. 00 33. 62 atoms 2067 CD PRO 265 4. 032 45. 941 27. 541 1. 00 33. 87 atoms 2068 CA PRO 265 3. 143 44. 177 26. 145 1. 00 33. 40 atoms 2069 CB PRO 265 2. 707 45. 534 25. 580 1. 00 33. 01 atom 2070 CG PRO 265 3. 642 46. 515 26. 202 1. 00 33. 60 atoms 2071 C PRO 265 4. 081 43. 537 25. 139 1. 00 32. 96 atoms 2072 O PRO 265 5. 256 43. 886 25. 027 1. 00 33. 11 atoms 2073 N LEU 266 3. 547 42. 619 24. 349 1. 00 33. 29 atoms 2074 CA LEU 266 4. 311 41. 895 23. 346 1. 00 33. 29 atoms 2075 CB LEU 266 4. 057 40. 395 23. 522 1. 00 33. 54 atoms 2076 CG LEU 266 4. 269 39. 807 24. 921 1. 00 32. 13 atoms 2077 CD1 LEU 266 3. 638 38. 430 24. 979 1. 00 31. 41 atoms 2078 CD2 LEU 266 5. 759 39. 733 25. 242 1. 00 33. 38 atoms 2079 C LEU 266 3. 853 42. 264 21. 952 1. 00 34. 40 atoms 2080 O LEU 266 2. 659 42. 130 21. 643 1. 00 35. 07 atom 2081 N THR 267 4. 777 42. 719 21. 114 1. 00 34. 78 atoms 2082 CA THR 267 4. 342 43. 062 19. 766 1. 00 36. 07 atom 2083 CB THR 267 4. 241 44. 564 19. 469 1. 00 36. 12 atoms 2084 OG1 THR 267 4. 959 44. 906 18. 277 1. 00 35. 59 atoms 2085 CG2 THR 267 4. 650 45. 435 20. 613 1. 00 32. 67 atoms 2086 C THR 267 5. 109 42. 293 18. 709 1. 00 37. 27 atoms 2087 O THR 267 6. 330 42. 155 18. 713 1. 00 38. 24 atoms 2088 N ASN 268 4. 320 41. 740 17. 785 1. 00 38. 02 atom 2089 CA ASN 268 4. 891 40. 942 16. 702 1. 00 39. 40 atoms 2090 CB ASN 268 3. 790 40. 179 15. 999 1. 00 39. 87 atoms 2091 CG ASN 268 2. 826 40. 976 15. 152 1. 00 40. 65 atoms 2092 OD1 ASN 268 3. 106 42. 024 14. 576 1. 00 39. 40 atoms 2093 ND2 ASN 268 1. 614 40. 436 15. 059 1. 00 41. 34 atoms 2094 C ASN 268 5. 736 41. 848 15. 808 1. 00 40. 00 atom 2095 O ASN 268 5. 851 43. 051 16. 075 1. 00 39. 86 atoms 2096 N SER 269 6. 346 41. 304 14. 769 1. 00 40. 67 atoms 2097 CA SER 269 7. 219 42. 057 13. 889 1. 00 43. 88 atoms 2098 CB SER 269 8. 225 41. 111 13. 224 1. 00 44. 83 atoms 2099 OG SER 269 7. 556 40. 284 12. 279 1. 00 46. 18 atoms 2100 C SER 269 6. 482 42. 862 12. 826 1. 00 45. 48 atoms 2101 O SER 269 7. 101 43. 545 12. 006 1. 00 45. 80 atoms 2102 N LYS 270 5. 164 42. 825 12. 832 1. 00 46. 62 atoms 2103 CA LYS 270 4. 275 43. 553 11. 955 1. 00 47. 63 atoms 2104 CB LYS 270 3. 269 42. 568 11. 329 1. 00 48. 50 atoms 2105 CG LYS 270 3. 794 41. 913 10. 065 1. 00 51. 67 atoms 2106 CD LYS 270 3. 375 40. 471 9. 896 1. 00 52. 63 atoms 2107 CE LYS 270 1. 892 40. 267 9. 678 1. 00 54. 43 atoms 2108 NZ LYS 270 1. 534 40. 002 8. 258 1. 00 53. 62 atoms 2109 C LYS 270 3. 527 44. 630 12. 734 1. 00 47. 68 atoms 2110 O LYS 270 2. 400 45. 014 12. 403 1. 00 48. 57 atoms 2111 N GLY 271 4. 070 45. 028 13. 881 1. 00 47. 00 atom 2112 CA GLY 271 3. 510 46. 022 14. 765 1. 00 45. 87 atoms 2113 C GLY 271 2. 224 45. 678 15. 479 1. 00 46. 02 atom 2114 O GLY 271 1. 668 46. 591 16. 117 1. 00 45. 92 atoms 2115 N GLN 272 1. 754 44. 433 15. 447 1. 00 45. 68 atoms 2116 CA GLN 272 0. 489 44. 086 16. 095 1. 00 45. 76 atoms 2117 CB GLN 272 -0. 246 42. 977 15. 340 1. 00 48. 38 atoms 2118 CG GLN 272 -0. 310 43. 141 13. 829 1. 00 51. 71 atoms 2119 CD GLN 272 -0. 808 41. 907 13. 112 1. 00 54. 09 atom 2120 OE1 GLN 272 -1. 552 41. 949 12. 129 1. 00 56. 77 atoms 2121 NE2 GLN 272 -0. 414 40. 733 13. 583 1. 00 54. 72 atoms 2122 C GLN 272 0. 713 43. 649 17. 536 1. 00 45. 50 atoms 2123 O GLN 272 1. 727 43. 020 17. 852 1. 00 46. 01 atom 2124 N ASN 273 -0. 223 44. 005 18. 405 1. 00 44. 29 atoms 2125 CA ASN 273 -0. 160 43. 660 19. 821 1. 00 42. 07 atom 2126 CB ASN 273 -1. 085 44. 526 20. 667 1. 00 39. 00 atom 2127 CG ASN 273 -1. 181 44. 115 22. 115 1. 00 41. 00 atom 2128 OD1 ASN 273 -0. 194 43. 855 22. 813 1. 00 41. 85 atoms 2129 ND2 ASN 273 -2. 390 44. 007 22. 673 1. 00 41. 63 atoms 2130 C ASN 273 -0. 551 42. 191 19. 946 1. 00 41. 69 atoms 2131 O ASN 273 -1. 687 41. 893 19. 629 1. 00 41. 80 atoms 2132 N CYS 274 0. 332 41. 328 20. 394 1. 00 41. 16 atoms 2133 CA CYS 274 0. 147 39. 906 20. 522 1. 00 39. 88 atoms 2134 CB CYS 274 1. 471 39. 169 20. 213 1. 00 41. 22 atoms 2135 SG CYS 274 1. 747 38. 854 18. 474 1. 00 43. 94 atoms 2136 C CYS 274 -0. 232 39. 438 21. 918 1. 00 39. 19 atoms 2137 O CYS 274 -0. 750 38. 327 22. 061 1. 00 38. 19 atoms 2138 N GLY 275 0. 001 40. 257 22. 933 1. 00 39. 14 atoms 2139 CA GLY 275 -0. 341 39. 838 24. 292 1. 00 38. 47 atoms 2140 C GLY 275 0. 493 40. 598 25. 319 1. 00 38. 10 atoms 2141 O GLY 275 1. 158 41. 572 25. 015 1. 00 36. 94 atoms 2142 N TYR 276 0. 433 40. 120 26. 547 1. 00 38. 05 atom 2143 CA TYR 276 1. 088 40. 679 27. 701 1. 00 37. 33 atoms 2144 CB TYR 276 0. 012 41. 280 28. 623 1. 00 38. 53 atoms 2145 CG TYR 276 0. 548 42. 451 29. 412 1. 00 42. 07 atom 2146 CD1 TYR 276 0. 509 43. 741 28. 895 1. 00 43. 14 atoms 2147 CE1 TYR 276 1. 023 44. 808 29. 622 1. 00 43. 93 atoms 2148 CD2 TYR 276 1. 129 42. 250 30. 665 1. 00 43. 11 atoms 2149 CE2 TYR 276 1. 637 43. 307 31. 398 1. 00 43. 61 atoms 2150 CZ TYR 276 1. 578 44. 577 30. 865 1. 00 44. 68 atoms 2151 OH TYR 276 2. 082 45. 644 31. 570 1. 00 47. 15 atoms 2152 C TYR 276 1. 898 39. 613 28. 436 1. 00 36. 60 atoms 2153 O TYR 276 1. 436 38. 487 28. 646 1. 00 36. 76 atoms 2154 N ARG 277 3. 109 39. 961 28. 849 1. 00 34. 71 atoms 2155 CA ARG 277 4. 015 39. 051 29. 536 1. 00 33. 18 atoms 2156 CB ARG 277 5. 447 39. 141 28. 989 1. 00 29. 40 atoms 2157 CG ARG 277 6. 554 38. 573 29. 860 1. 00 29. 31 atoms 2158 CD ARG 277 7. 954 38. 735 29. 271 1. 00 29. 38 atoms 2159 NE ARG 277 8. 204 40. 155 28. 967 1. 00 27. 72 atoms 2160 CZ ARG 277 8. 675 40. 999 29. 882 1. 00 24. 92 atoms 2161 NH1 ARG 277 9. 039 40. 597 31. 097 1. 00 22. 62 atoms 2162 NH2 ARG 277 8. 834 42. 268 29. 549 1. 00 26. 44 atoms 2163 C ARG 277 4. 030 39. 365 31. 031 1. 00 33. 09 atom 2164 O ARG 277 4. 083 40. 541 31. 380 1. 00 32. 34 atoms 2165 N ARG 278 3. 976 38. 342 31. 876 1. 00 32. 37 atoms 2166 CA ARG 278 4. 048 38. 501 33. 317 1. 00 32. 25 atoms 2167 CB ARG 278 2. 733 38. 255 34. 068 1. 00 33. 09 atom 2168 CG ARG 278 1. 715 39. 350 33. 888 1. 00 34. 92 atoms 2169 CD ARG 278 0. 372 39. 132 34. 589 1. 00 36. 40 atoms 2170 NE ARG 278 -0. 646 39. 860 33. 802 1. 00 36. 37 atoms 2171 CZ ARG 278 -1. 313 39. 255 32. 812 1. 00 35. 81 atoms 2172 NH1 ARG 278 -1. 123 37. 971 32. 536 1. 00 32. 19 atoms 2173 NH2 ARG 278 -2. 180 39. 986 32. 124 1. 00 34. 43 atoms 2174 C ARG 278 5. 146 37. 581 33. 869 1. 00 30. 67 atoms 2175 O ARG 278 5. 124 37. 144 35. 018 1. 00 30. 60 atoms 2176 N CYS 279 6. 121 37. 277 33. 028 1. 00 28. 97 atoms 2177 CA CYS 279 7. 233 36. 420 33. 482 1. 00 27. 80 atoms 2178 CB CYS 279 6. 975 34. 974 33. 085 1. 00 24. 67 atoms 2179 SG CYS 279 6. 905 34. 774 31. 288 1. 00 24. 12 atoms 2180 C CYS 279 8. 540 36. 965 32. 915 1. 00 27. 03 atom 2181 O CYS 279 8. 613 38. 113 32. 467 1. 00 25. 75 atoms 2182 N ARG 280 9. 586 36. 152 32. 890 1. 00 27. 11 atoms 2183 CA ARG 280 10. 882 36. 608 32. 411 1. 00 27. 61 atoms 2184 CB ARG 280 11. 973 35. 642 32. 874 1. 00 27. 41 atoms 2185 CG ARG 280 13. 309 35. 826 32. 157 1. 00 28. 28 atoms 2186 CD ARG 280 14. 430 35. 788 33. 204 1. 00 27. 54 atoms 2187 NE ARG 280 14. 341 36. 959 34. 041 1. 00 26. 48 atoms 2188 CZ ARG 280 14. 626 36. 967 35. 342 1. 00 26. 75 atoms 2189 NH1 ARG 280 15. 010 35. 869 35. 942 1. 00 23. 17 atoms 2190 NH2 ARG 280 14. 514 38. 112 36. 010 1. 00 25. 26 atoms 2191 C ARG 280 10. 990 36. 731 30. 895 1. 00 28. 06 atom 2192 O ARG 280 10. 664 35. 733 30. 245 1. 00 28. 91 atoms 2193 N ALA 281 11. 497 37. 862 30. 412 1. 00 26. 87 atoms 2194 CA ALA 281 11. 723 38. 001 28. 979 1. 00 27. 69 atoms 2195 CB ALA 281 11. 878 39. 445 28. 520 1. 00 29. 87 atoms 2196 C ALA 281 13. 052 37. 311 28. 674 1. 00 27. 81 atoms 2197 O ALA 281 14. 015 37. 544 29. 447 1. 00 28. 27 atoms 2198 N SER 282 13. 127 36. 562 27. 581 1. 00 26. 40 atoms 2199 CA SER 282 14. 412 35. 903 27. 302 1. 00 26. 12 atoms 2200 CB SER 282 14. 267 34. 916 26. 133 1. 00 24. 24 atoms 2201 OG SER 282 14. 011 35. 718 24. 963 1. 00 26. 18 atoms 2202 C SER 282 15. 497 36. 884 26. 885 1. 00 26. 32 atoms 2203 O SER 282 16. 673 36. 555 27. 037 1. 00 26. 86 atoms 2204 N GLY 283 15. 158 38. 020 26. 269 1. 00 26. 21 atoms 2205 CA GLY 283 16. 121 38. 931 25. 717 1. 00 24. 50 atoms 2206 C GLY 283 16. 592 40. 124 26. 493 1. 00 24. 78 atoms 2207 O GLY 283 17. 092 41. 075 25. 860 1. 00 24. 42 atoms 2208 N VAL 284 16. 469 40. 153 27. 821 1. 00 23. 56 atoms 2209 CA VAL 284 16. 972 41. 302 28. 563 1. 00 23. 33 atoms 2210 CB VAL 284 16. 024 41. 743 29. 690 1. 00 22. 69 atoms 2211 CG1 VAL 284 14. 793 42. 445 29. 124 1. 00 22. 71 atoms 2212 CG2 VAL 284 15. 627 40. 552 30. 570 1. 00 20. 58 atoms 2213 C VAL 284 18. 364 41. 045 29. 122 1. 00 24. 38 atoms 2214 O VAL 284 18. 764 39. 929 29. 432 1. 00 23. 07 atom 2215 N LEU 285 19. 104 42. 126 29. 437 1. 00 25. 00 atom 2216 CA LEU 285 20. 432 41. 988 29. 991 1. 00 24. 61 atoms 2217 CB LEU 285 21. 046 43. 364 30. 352 1. 00 24. 12 atoms 2218 CG LEU 285 22. 516 43. 262 30. 826 1. 00 24. 45 atoms 2219 CD1 LEU 285 23. 371 42. 600 29. 745 1. 00 17. 79 atoms 2220 CD2 LEU 285 23. 104 44. 611 31. 224 1. 00 22. 93 atoms 2221 C LEU 285 20. 497 41. 091 31. 221 1. 00 25. 33 atoms 2222 O LEU 285 21. 516 40. 423 31. 420 1. 00 24. 18 atoms 2223 N THR 286 19. 496 41. 148 32. 099 1. 00 25. 22 atoms 2224 CA THR 286 19. 455 40. 392 33. 324 1. 00 25. 36 atoms 2225 CB THR 286 18. 600 41. 148 34. 381 1. 00 26. 54 atoms 2226 OG1 THR 286 17. 319 41. 448 33. 805 1. 00 25. 36 atoms 2227 CG2 THR 286 19. 284 42. 427 34. 818 1. 00 26. 79 atoms 2228 C THR 286 18. 864 38. 996 33. 247 1. 00 25. 62 atoms 2229 O THR 286 18. 786 38. 333 34. 300 1. 00 25. 94 atoms 2230 N THR 287 18. 455 38. 476 32. 096 1. 00 25. 49 atoms 2231 CA THR 287 17. 918 37. 120 32. 066 1. 00 25. 72 atoms 2232 CB THR 287 17. 702 36. 664 30. 606 1. 00 26. 65 atoms 2233 OG1 THR 287 16. 939 37. 679 29. 953 1. 00 25. 87 atoms 2234 CG2 THR 287 17. 038 35. 298 30. 609 1. 00 25. 07 atom 2235 C THR 287 18. 851 36. 098 32. 711 1. 00 26. 17 atoms 2236 O THR 287 18. 484 35. 245 33. 527 1. 00 26. 55 atoms 2237 N SER 288 20. 109 36. 143 32. 284 1. 00 25. 33 atoms 2238 CA SER 288 21. 108 35. 184 32. 711 1. 00 24. 77 atoms 2239 CB SER 288 22. 316 35. 321 31. 782 1. 00 25. 26 atoms 2240 OG SER 288 23. 383 34. 559 32. 293 1. 00 30. 68 atoms 2241 C SER 288 21. 430 35. 323 34. 184 1. 00 24. 87 atoms 2242 O SER 288 21. 342 34. 343 34. 920 1. 00 24. 52 atoms 2243 N CYS 289 21. 774 36. 524 34. 653 1. 00 24. 19 atoms 2244 CA CYS 289 22. 085 36. 744 36. 056 1. 00 22. 89 atoms 2245 CB CYS 289 22. 600 38. 157 36. 270 1. 00 21. 13 atoms 2246 SG CYS 289 22. 956 38. 605 38. 001 1. 00 23. 20 atoms 2247 C CYS 289 20. 839 36. 477 36. 900 1. 00 23. 34 atoms 2248 O CYS 289 20. 901 35. 838 37. 949 1. 00 23. 17 atoms 2249 N GLY 290 19. 686 37. 000 36. 476 1. 00 23. 20 atoms 2250 CA GLY 290 18. 438 36. 804 37. 206 1. 00 23. 05 atom 2251 C GLY 290 18. 071 35. 335 37. 248 1. 00 24. 26 atoms 2252 O GLY 290 17. 768 34. 801 38. 325 1. 00 26. 03 atom 2253 N ASN 291 18. 094 34. 616 36. 125 1. 00 24. 82 atoms 2254 CA ASN 291 17. 785 33. 177 36. 184 1. 00 26. 10 atoms 2255 CB ASN 291 17. 742 32. 502 34. 811 1. 00 24. 06 atom 2256 CG ASN 291 16. 564 32. 975 33. 985 1. 00 26. 25 atoms 2257 OD1 ASN 291 16. 595 32. 931 32. 748 1. 00 28. 06 atom 2258 ND2 ASN 291 15. 537 33. 454 34. 676 1. 00 23. 50 atoms 2259 C ASN 291 18. 788 32. 470 37. 092 1. 00 26. 11 atoms 2260 O ASN 291 18. 446 31. 546 37. 836 1. 00 26. 06 atom 2261 N THR 292 20. 053 32. 879 37. 060 1. 00 26. 77 atoms 2262 CA THR 292 21. 067 32. 258 37. 901 1. 00 28. 20 atoms 2263 CB THR 292 22. 491 32. 695 37. 505 1. 00 28. 50 atoms 2264 OG1 THR 292 22. 657 32. 218 36. 155 1. 00 31. 29 atoms 2265 CG2 THR 292 23. 544 32. 068 38. 395 1. 00 26. 89 atoms 2266 C THR 292 20. 793 32. 494 39. 378 1. 00 27. 77 atoms 2267 O THR 292 20. 813 31. 513 40. 130 1. 00 29. 08 atom 2268 N LEU 293 20. 475 33. 704 39. 789 1. 00 27. 43 atoms 2269 CA LEU 293 20. 127 33. 956 41. 180 1. 00 27. 75 atoms 2270 CB LEU 293 19. 938 35. 465 41. 391 1. 00 28. 04 atom 2271 CG LEU 293 21. 213 36. 289 41. 179 1. 00 26. 98 atoms 2272 CD1 LEU 293 20. 886 37. 773 41. 254 1. 00 27. 35 atoms 2273 CD2 LEU 293 22. 225 35. 868 42. 236 1. 00 27. 96 atoms 2274 C LEU 293 18. 858 33. 247 41. 620 1. 00 27. 75 atoms 2275 O LEU 293 18. 794 32. 681 42. 712 1. 00 27. 79 atoms 2276 N THR 294 17. 841 33. 257 40. 772 1. 00 28. 44 atoms 2277 CA THR 294 16. 553 32. 641 41. 140 1. 00 29. 61 atoms 2278 CB THR 294 15. 525 33. 085 40. 083 1. 00 30. 26 atoms 2279 OG1 THR 294 15. 574 34. 524 40. 200 1. 00 31. 67 atoms 2280 CG2 THR 294 14. 133 32. 542 40. 321 1. 00 28. 70 atoms 2281 C THR 294 16. 635 31. 132 41. 271 1. 00 28. 50 atoms 2282 O THR 294 16. 126 30. 522 42. 212 1. 00 27. 94 atoms 2283 N CYS 295 17. 322 30. 528 40. 316 1. 00 27. 44 atoms 2284 CA CYS 295 17. 494 29. 084 40. 307 1. 00 28. 31 atoms 2285 CB CYS 295 18. 238 28. 644 39. 046 1. 00 24. 99 atoms 2286 SG CYS 295 18. 381 26. 845 38. 982 1. 00 26. 71 atoms 2287 C CYS 295 18. 248 28. 651 41. 565 1. 00 29. 14 atoms 2288 O CYS 295 17. 820 27. 781 42. 318 1. 00 28. 71 atoms 2289 N TYR 296 19. 364 29. 334 41. 819 1. 00 29. 50 atoms 2290 CA TYR 296 20. 189 29. 101 42. 989 1. 00 30. 30 atoms 2291 CB TYR 296 21. 337 30. 127 42. 985 1. 00 28. 86 atoms 2292 CG TYR 296 22. 187 30. 070 44. 234 1. 00 27. 72 atoms 2293 CD1 TYR 296 23. 291 29. 220 44. 310 1. 00 27. 11 atoms 2294 CE1 TYR 296 24. 060 29. 188 45. 446 1. 00 26. 95 atoms 2295 CD2 TYR 296 21. 877 30. 851 45. 335 1. 00 27. 45 atoms 2296 CE2 TYR 296 22. 632 30. 805 46. 497 1. 00 27. 35 atoms 2297 CZ TYR 296 23. 737 29. 982 46. 534 1. 00 27. 89 atoms 2298 OH TYR 296 24. 519 29. 919 47. 667 1. 00 27. 59 atoms 2299 C TYR 296 19. 407 29. 232 44. 295 1. 00 30. 73 atoms 2300 O TYR 296 19. 509 28. 404 45. 202 1. 00 31. 40 atoms 2301 N LEU 297 18. 679 30. 338 44. 442 1. 00 31. 05 atom 2302 CA LEU 297 17. 901 30. 596 45. 639 1. 00 31. 15 atoms 2303 CB LEU 297 17. 242 31. 976 45. 577 1. 00 30. 66 atoms 2304 CG LEU 297 16. 195 32. 284 46. 649 1. 00 32. 49 atoms 2305 CD1 LEU 297 16. 752 32. 354 48. 068 1. 00 30. 72 atoms 2306 CD2 LEU 297 15. 501 33. 588 46. 284 1. 00 33. 88 atoms 2307 C LEU 297 16. 900 29. 468 45. 907 1. 00 30. 59 atoms 2308 O LEU 297 16. 913 28. 924 47. 009 1. 00 28. 99 atoms 2309 N LYS 298 16. 121 29. 057 44. 920 1. 00 30. 38 atoms 2310 CA LYS 298 15. 134 28. 007 45. 066 1. 00 30. 73 atoms 2311 CB LYS 298 14. 187 27. 913 43. 853 1. 00 26. 40 atoms 2312 CG LYS 298 13. 421 29. 212 43. 648 1. 00 27. 14 atoms 2313 CD LYS 298 12. 557 29. 198 42. 381 1. 00 23. 22 atoms 2314 CE LYS 298 11. 618 30. 402 42. 435 1. 00 22. 06 atom 2315 NZ LYS 298 10. 863 30. 571 41. 164 1. 00 23. 44 atoms 2316 C LYS 298 15. 747 26. 629 45. 273 1. 00 31. 80 atoms 2317 O LYS 298 15. 278 25. 919 46. 166 1. 00 31. 91 atoms 2318 N ALA 299 16. 764 26. 292 44. 489 1. 00 31. 31 atoms 2319 CA ALA 299 17. 417 24. 996 44. 613 1. 00 32. 02 atom 2320 CB ALA 299 18. 404 24. 791 43. 477 1. 00 28. 54 atoms 2321 C ALA 299 18. 101 24. 838 45. 969 1. 00 32. 66 atoms 2322 O ALA 299 18. 107 23. 748 46. 563 1. 00 33. 07 atom 2323 N SER 300 18. 691 25. 926 46. 458 1. 00 32. 43 atoms 2324 CA SER 300 19. 321 25. 944 47. 767 1. 00 33. 37 atoms 2325 CB SER 300 19. 965 27. 286 48. 129 1. 00 34. 48 atoms 2326 OG SER 300 21. 213 27. 475 47. 523 1. 00 37. 45 atoms 2327 C SER 300 18. 278 25. 709 48. 866 1. 00 32. 74 atoms 2328 O SER 300 18. 551 24. 955 49. 802 1. 00 32. 46 atoms 2329 N ALA 301 17. 131 26. 381 48. 752 1. 00 31. 85 atoms 2330 CA ALA 301 16. 079 26. 214 49. 756 1. 00 32. 50 atoms 2331 CB ALA 301 14. 900 27. 149 49. 558 1. 00 28. 76 atoms 2332 C ALA 301 15. 558 24. 774 49. 720 1. 00 32. 40 atoms 2333 O ALA 301 15. 285 24. 154 50. 733 1. 00 33. 61 atoms 2334 N ALA 302 15. 460 24. 234 48. 528 1. 00 32. 04 atom 2335 CA ALA 302 15. 022 22. 904 48. 208 1. 00 31. 76 atoms 2336 CB ALA 302 14. 835 22. 770 46. 701 1. 00 28. 84 atoms 2337 C ALA 302 16. 008 21. 873 48. 733 1. 00 32. 29 atoms 2338 O ALA 302 15. 536 20. 875 49. 272 1. 00 32. 46 atoms 2339 N CYS 303 17. 319 22. 109 48. 646 1. 00 32. 27 atoms 2340 CA CYS 303 18. 282 21. 164 49. 188 1. 00 32. 46 atoms 2341 CB CYS 303 19. 740 21. 460 48. 912 1. 00 28. 56 atoms 2342 SG CYS 303 20. 386 21. 344 47. 218 1. 00 28. 88 atoms 2343 C CYS 303 18. 047 21. 084 50. 705 1. 00 34. 28 atoms 2344 O CYS 303 18. 061 19. 976 51. 246 1. 00 34. 99 atoms 2345 N ARG 304 17. 769 22. 207 51. 369 1. 00 34. 95 atoms 2346 CA ARG 304 17. 520 22. 205 52. 801 1. 00 36. 53 atoms 2347 CB ARG 304 17. 402 23. 603 53. 397 1. 00 38. 88 atoms 2348 CG ARG 304 18. 344 24. 620 52. 810 1. 00 41. 44 atoms 2349 CD ARG 304 19. 554 25. 040 53. 582 1. 00 41. 06 Atomic 2350 NE ARG 304 19. 349 26. 338 54. 195 1. 00 45. 30 atoms 2351 CZ ARG 304 20. 120 27. 415 54. 257 1. 00 44. 75 atoms 2352 NH1 ARG 304 21. 316 27. 567 53. 713 1. 00 43. 50 atoms 2353 NH2 ARG 304 19. 670 28. 490 54. 907 1. 00 44. 32 atoms 2354 C ARG 304 16. 233 21. 423 53. 098 1. 00 37. 68 atoms 2355 O ARG 304 16. 233 20. 610 54. 031 1. 00 37. 15 atoms 2356 N ALA 305 15. 208 21. 640 52. 274 1. 00 36. 72 atoms 2357 CA ALA 305 13. 959 20. 919 52. 419 1. 00 37. 33 atoms 2358 CB ALA 305 12. 906 21. 441 51. 441 1. 00 33. 97 atoms 2359 C ALA 305 14. 100 19. 417 52. 180 1. 00 37. 93 atoms 2360 O ALA 305 13. 467 18. 664 52. 917 1. 00 37. 71 atoms 2361 N ALA 306 14. 896 18. 988 51. 205 1. 00 37. 98 atoms 2362 CA ALA 306 15. 052 17. 584 50. 874 1. 00 38. 67 atoms 2363 CB ALA 306 15. 514 17. 448 49. 427 1. 00 36. 26 atoms 2364 C ALA 306 16. 003 16. 877 51. 830 1. 00 39. 76 atoms 2365 O ALA 306 16. 151 15. 649 51. 842 1. 00 40. 58 atoms 2366 N LYS 307 16. 746 17. 629 52. 626 1. 00 40. 63 atoms 2367 CA LYS 307 17. 689 17. 077 53. 582 1. 00 41. 94 atoms 2368 CB LYS 307 16. 997 16. 055 54. 482 1. 00 40. 64 atoms 2369 CG LYS 307 16. 487 16. 494 55. 819 1. 00 42. 35 atoms 2370 CD LYS 307 15. 056 16. 995 55. 852 1. 00 46. 63 atoms 2371 CE LYS 307 14. 306 16. 521 57. 096 1. 00 45. 86 atoms 2372 NZ LYS 307 15. 169 16. 642 58. 311 1. 00 48. 23 atoms 2373 C LYS 307 18. 904 16. 455 52. 906 1. 00 42. 62 atoms 2374 O LYS 307 19. 502 15. 501 53. 418 1. 00 42. 87 atoms 2375 N LEU 308 19. 285 16. 982 51. 743 1. 00 43. 44 atoms 2376 CA LEU 308 20. 479 16. 488 51. 052 1. 00 42. 60 atoms 2377 CB LEU 308 20. 587 17. 030 49. 632 1. 00 43. 54 atoms 2378 CG LEU 308 19. 390 16. 745 48. 721 1. 00 42. 91 atoms 2379 CD1 LEU 308 19. 542 17. 379 47. 354 1. 00 42. 57 atoms 2380 CD2 LEU 308 19. 196 15. 244 48. 592 1. 00 44. 10 atoms 2381 C LEU 308 21. 679 16. 884 51. 912 1. 00 42. 07 atom 2382 O LEU 308 21. 675 17. 877 52. 645 1. 00 41. 60 atoms 2383 N GLN 309 22. 716 16. 071 51. 846 1. 00 40. 83 atoms 2384 CA GLN 309 23. 890 16. 235 52. 676 1. 00 41. 21 atoms 2385 CB GLN 309 24. 059 15. 006 53. 568 1. 00 43. 78 atoms 2386 CG GLN 309 23. 843 13. 649 52. 946 1. 00 49. 41 atoms 2387 CD GLN 309 22. 445 13. 366 52. 410 1. 00 52. 42 atoms 2388 OE1 GLN 309 22. 248 13. 146 51. 199 1. 00 50. 59 atoms 2389 NE2 GLN 309 21. 464 13. 441 53. 314 1. 00 52. 95 atoms 2390 C GLN 309 25. 170 16. 525 51. 906 1. 00 41. 00 atom 2391 O GLN 309 25. 500 15. 958 50. 857 1. 00 39. 77 atoms 2392 N ASP 310 25. 890 17. 514 52. 459 1. 00 40. 51 atoms 2393 CA ASP 310 27. 156 17. 937 51. 857 1. 00 41. 23 atoms 2394 CB ASP 310 28. 147 16. 784 51. 985 1. 00 44. 63 atoms 2395 CG ASP 310 29. 599 17. 169 51. 899 1. 00 48. 67 atoms 2396 OD1 ASP 310 30. 490 16. 278 51. 966 1. 00 53. 08 atom 2397 OD2 ASP 310 29. 863 18. 377 51. 765 1. 00 49. 31 atom 2398 C ASP 310 26. 914 18. 349 50. 406 1. 00 40. 11 atoms 2399 O ASP 310 27. 638 17. 954 49. 498 1. 00 40. 33 atoms 2400 N CYS 311 25. 878 19. 132 50. 169 1. 00 38. 97 atoms 2401 CA CYS 311 25. 486 19. 625 48. 880 1. 00 38. 92 atoms 2402 CB CYS 311 24. 175 20. 433 48. 939 1. 00 40. 68 atoms 2403 SG CYS 311 22. 675 19. 479 48. 803 1. 00 43. 39 atoms 2404 C CYS 311 26. 470 20. 632 48. 278 1. 00 37. 89 atoms 2405 O CYS 311 26. 947 21. 574 48. 906 1. 00 38. 01 atom 2406 N THR 312 26. 696 20. 444 46. 996 1. 00 36. 23 atoms 2407 CA THR 312 27. 512 21. 358 46. 203 1. 00 34. 41 atoms 2408 CB THR 312 28. 885 20. 764 45. 922 1. 00 34. 03 atom 2409 OG1 THR 312 29. 444 20. 309 47. 160 1. 00 34. 43 atoms 2410 CG2 THR 312 29. 779 21. 834 45. 320 1. 00 34. 60 atoms 2411 C THR 312 26. 738 21. 635 44. 918 1. 00 33. 28 atoms 2412 O THR 312 26. 373 20. 706 44. 199 1. 00 32. 18 atoms 2413 N MET 313 26. 393 22. 888 44. 698 1. 00 33. 09 atom 2414 CA MET 313 25. 620 23. 231 43. 516 1. 00 33. 28 atoms 2415 CB MET 313 24. 481 24. 186 43. 882 1. 00 35. 73 atoms 2416 CG MET 313 23. 586 23. 596 44. 971 1. 00 38. 44 atoms 2417 SD MET 313 21. 940 24. 278 44. 982 1. 00 40. 96 atoms 2418 CE MET 313 22. 192 26. 003 44. 619 1. 00 38. 76 atoms 2419 C MET 313 26. 457 23. 903 42. 443 1. 00 32. 45 atoms 2420 O MET 313 27. 323 24. 694 42. 775 1. 00 33. 24 atoms 2421 N LEU 314 26. 160 23. 604 41. 193 1. 00 31. 30 atoms 2422 CA LEU 314 26. 763 24. 272 40. 065 1. 00 30. 25 atoms 2423 CB LEU 314 27. 567 23. 377 39. 109 1. 00 29. 01 atom 2424 CG LEU 314 28. 303 24. 207 38. 034 1. 00 26. 14 atoms 2425 CD1 LEU 314 29. 179 25. 271 38. 688 1. 00 21. 68 atoms 2426 CD2 LEU 314 29. 111 23. 325 37. 105 1. 00 24. 63 atoms 2427 C LEU 314 25. 617 24. 907 39. 271 1. 00 29. 08 atom 2428 O LEU 314 24. 819 24. 131 38. 742 1. 00 29. 26 atoms 2429 N VAL 315 25. 511 26. 224 39. 245 1. 00 29. 16 atoms 2430 CA VAL 315 24. 402 26. 874 38. 546 1. 00 29. 03 atom 2431 CB VAL 315 23. 578 27. 763 39. 497 1. 00 27. 72 atoms 2432 CG1 VAL 315 22. 330 28. 276 38. 788 1. 00 25. 33 atoms 2433 CG2 VAL 315 23. 219 27. 070 40. 809 1. 00 27. 07 atom 2434 C VAL 315 24. 829 27. 788 37. 400 1. 00 29. 94 atoms 2435 O VAL 315 25. 690 28. 651 37. 549 1. 00 30. 61 atoms 2436 N ASN 316 24. 215 27. 624 36. 246 1. 00 29. 96 atoms 2437 CA ASN 316 24. 387 28. 422 35. 046 1. 00 31. 16 atoms 2438 CB ASN 316 25. 104 27. 686 33. 920 1. 00 32. 98 atoms 2439 CG ASN 316 26. 588 27. 417 34. 065 1. 00 35. 77 atoms 2440 OD1 ASN 316 26. 956 26. 417 34. 688 1. 00 36. 41 atoms 2441 ND2 ASN 316 27. 454 28. 255 33. 497 1. 00 34. 65 atoms 2442 C ASN 316 22. 980 28. 794 34. 549 1. 00 31. 23 atoms 2443 O ASN 316 22. 308 27. 973 33. 919 1. 00 29. 54 atoms 2444 N GLY 317 22. 436 29. 975 34. 812 1. 00 31. 75 atoms 2445 CA GLY 317 21. 076 30. 292 34. 354 1. 00 32. 75 atoms 2446 C GLY 317 20. 012 29. 356 34. 917 1. 00 33. 30 atoms 2447 O GLY 317 19. 891 29. 208 36. 129 1. 00 32. 73 atoms 2448 N ASP 318 19. 219 28. 664 34. 125 1. 00 33. 63 atoms 2449 CA ASP 318 18. 220 27. 713 34. 553 1. 00 35. 29 atoms 2450 CB ASP 318 17. 121 27. 609 33. 494 1. 00 39. 36 atoms 2451 CG ASP 318 17. 662 27. 394 32. 101 1. 00 43. 35 atoms 2452 OD1 ASP 318 17. 068 26. 586 31. 347 1. 00 47. 58 atoms 2453 OD2 ASP 318 18. 671 28. 032 31. 708 1. 00 45. 20 atoms 2454 C ASP 318 18. 832 26. 327 34. 744 1. 00 35. 84 atoms 2455 O ASP 318 18. 164 25. 391 35. 176 1. 00 36. 69 atoms 2456 N ASP 319 20. 090 26. 186 34. 354 1. 00 35. 25 atoms 2457 CA ASP 319 20. 804 24. 929 34. 416 1. 00 35. 84 atoms 2458 CB ASP 319 22. 011 25. 025 33. 470 1. 00 39. 39 atoms 2459 CG ASP 319 21. 910 23. 880 32. 479 1. 00 44. 23 atoms 2460 OD1 ASP 319 21. 236 24. 045 31. 440 1. 00 48. 80 atoms 2461 OD2 ASP 319 22. 508 22. 844 32. 816 1. 00 45. 23 atoms 2462 C ASP 319 21. 288 24. 628 35. 829 1. 00 34. 61 atoms 2463 O ASP 319 22. 041 25. 446 36. 361 1. 00 34. 77 atoms 2464 N LEU 320 20. 887 23. 491 36. 372 1. 00 32. 49 atoms 2465 CA LEU 320 21. 271 23. 154 37. 731 1. 00 32. 39 atoms 2466 CB LEU 320 20. 061 23. 318 38. 651 1. 00 30. 55 atoms 2467 CG LEU 320 20. 187 22. 939 40. 123 1. 00 30. 70 atoms 2468 CD1 LEU 320 21. 083 23. 888 40. 890 1. 00 29. 25 atoms 2469 CD2 LEU 320 18. 766 22. 910 40. 688 1. 00 30. 47 atoms 2470 C LEU 320 21. 796 21. 733 37. 893 1. 00 32. 52 atoms 2471 O LEU 320 21. 145 20. 756 37. 522 1. 00 31. 37 atoms 2472 N VAL 321 22. 971 21. 662 38. 522 1. 00 32. 62 atoms 2473 CA VAL 321 23. 588 20. 393 38. 858 1. 00 32. 63 atoms 2474 CB VAL 321 24. 846 20. 032 38. 064 1. 00 35. 33 atom 2475 CG1 VAL 321 25. 731 19. 046 38. 839 1. 00 34. 44 atoms 2476 CG2 VAL 321 24. 395 19. 341 36. 783 1. 00 34. 79 atoms 2477 C VAL 321 23. 887 20. 397 40. 359 1. 00 32. 34 atoms 2478 O VAL 321 24. 483 21. 347 40. 870 1. 00 32. 02 atom 2479 N VAL 322 23. 442 19. 326 41. 012 1. 00 31. 17 atoms 2480 CA VAL 322 23. 632 19. 198 42. 447 1. 00 30. 05 atom 2481 CB VAL 322 22. 323 19. 112 43. 251 1. 00 28. 39 atoms 2482 CG1 VAL 322 22. 631 18. 851 44. 725 1. 00 30. 18 atoms 2483 CG2 VAL 322 21. 486 20. 375 43. 195 1. 00 25. 92 atoms 2484 C VAL 322 24. 450 17. 942 42. 719 1. 00 29. 97 atoms 2485 O VAL 322 24. 128 16. 887 42. 191 1. 00 29. 76 atoms 2486 N ILE 323 25. 515 18. 060 43. 502 1. 00 30. 71 atoms 2487 CA ILE 323 26. 321 16. 878 43. 816 1. 00 31. 46 atoms 2488 CB ILE 323 27. 721 16. 883 43. 212 1. 00 29. 74 atoms 2489 CG2 ILE 323 28. 563 15. 803 43. 903 1. 00 28. 57 atoms 2490 CG1 ILE 323 27. 694 16. 709 41. 691 1. 00 26. 76 atoms 2491 CD1 ILE 323 28. 974 17. 151 41. 015 1. 00 28. 40 atoms 2492 C ILE 323 26. 409 16. 806 45. 343 1. 00 33. 23 atoms 2493 O ILE 323 26. 832 17. 778 45. 970 1. 00 33. 11 atoms 2494 N CYS 324 26. 033 15. 654 45. 885 1. 00 33. 75 atoms 2495 CA CYS 324 26. 029 15. 494 47. 328 1. 00 34. 16 atoms 2496 CB CYS 324 24. 599 15. 744 47. 817 1. 00 32. 60 atoms 2497 SG CYS 324 23. 415 14. 482 47. 250 1. 00 28. 37 atoms 2498 C CYS 324 26. 524 14. 111 47. 741 1. 00 36. 41 atoms 2499 O CYS 324 26. 940 13. 265 46. 946 1. 00 35. 85 atoms 2500 N GLU 325 26. 516 13. 906 49. 052 1. 00 37. 42 atoms 2501 CA GLU 325 26. 935 12. 689 49. 735 1. 00 38. 45 atoms 2502 CB GLU 325 27. 378 13. 104 51. 145 1. 00 41. 19 atoms 2503 CG GLU 325 28. 247 12. 197 51. 960 1. 00 40. 10 atoms 2504 CD GLU 325 29. 560 11. 853 51. 298 1. 00 42. 45 atoms 2505 OE1 GLU 325 30. 584 12. 515 51. 560 1. 00 45. 65 atoms 2506 OE2 GLU 325 29. 554 10. 895 50. 504 1. 00 44. 28 atoms 2507 C GLU 325 25. 743 11. 750 49. 817 1. 00 38. 20 atoms 2508 O GLU 325 24. 728 12. 120 50. 400 1. 00 39. 10 atoms 2509 N SER 326 25. 789 10. 606 49. 173 1. 00 38. 71 atoms 2510 CA SER 326 24. 690 9. 667 49. 131 1. 00 38. 62 atoms 2511 CB SER 326 25. 021 8. 424 48. 306 1. 00 37. 19 atoms 2512 OG SER 326 23. 860 7. 620 48. 170 1. 00 37. 82 atoms 2513 C SER 326 24. 292 9. 230 50. 541 1. 00 39. 32 atoms 2514 O SER 326 25. 128 9. 110 51. 426 1. 00 38. 70 atoms 2515 N ALA 327 22. 996 8. 999 50. 701 1. 00 39. 45 atoms 2516 CA ALA 327 22. 424 8. 549 51. 959 1. 00 39. 46 atoms 2517 CB ALA 327 21. 263 9. 440 52. 344 1. 00 38. 95 atoms 2518 C ALA 327 21. 921 7. 120 51. 773 1. 00 40. 13 atoms 2519 O ALA 327 21. 355 6. 519 52. 679 1. 00 40. 46 atoms 2520 N GLY 328 22. 130 6. 608 50. 565 1. 00 39. 86 atoms 2521 CA GLY 328 21. 687 5. 288 50. 158 1. 00 39. 73 atoms 2522 C GLY 328 20. 754 5. 448 48. 950 1. 00 40. 89 atoms 2523 O GLY 328 20. 109 6. 484 48. 778 1. 00 40. 83 atoms 2524 N THR 329 20. 615 4. 405 48. 154 1. 00 40. 88 atoms 2525 CA THR 329 19. 776 4. 443 46. 971 1. 00 41. 92 atoms 2526 CB THR 329 19. 832 3. 088 46. 238 1. 00 43. 44 atoms 2527 OG1 THR 329 21. 147 3. 013 45. 646 1. 00 46. 46 atoms 2528 CG2 THR 329 18. 824 2. 999 45. 115 1. 00 43. 47 atoms 2529 C THR 329 18. 349 4. 857 47. 237 1. 00 41. 88 atoms 2530 O THR 329 17. 850 5. 766 46. 567 1. 00 42. 54 atoms 2531 N GLN 330 17. 668 4. 219 48. 179 1. 00 42. 20 atoms 2532 CA GLN 330 16. 274 4. 530 48. 478 1. 00 41. 29 atoms 2533 CB GLN 330 15. 612 3. 457 49. 346 1. 00 46. 59 atoms 2534 CG GLN 330 15. 603 2. 067 48. 754 1. 00 50. 81 atoms 2535 CD GLN 330 14. 819 2. 023 47. 461 1. 00 56. 28 atoms 2536 OE1 GLN 330 13. 984 2. 886 47. 166 1. 00 58. 61 atoms 2537 NE2 GLN 330 15. 111 0. 996 46. 667 1. 00 59. 59 atoms 2538 C GLN 330 16. 144 5. 879 49. 163 1. 00 39. 83 atoms 2539 O GLN 330 15. 175 6. 593 48. 925 1. 00 40. 36 atoms 2540 N GLU 331 17. 094 6. 216 50. 011 1. 00 38. 55 atoms 2541 CA GLU 331 17. 136 7. 511 50. 681 1. 00 38. 07 atom 2542 CB GLU 331 18. 247 7. 498 51. 733 1. 00 37. 75 atoms 2543 CG GLU 331 18. 108 6. 519 52. 871 1. 00 35. 20 atoms 2544 CD GLU 331 18. 521 5. 087 52. 645 1. 00 34. 47 atoms 2545 OE1 GLU 331 18. 818 4. 660 51. 518 1. 00 33. 00 atom 2546 OE2 GLU 331 18. 557 4. 294 53. 623 1. 00 33. 15 atoms 2547 C GLU 331 17. 331 8. 602 49. 621 1. 00 36. 90 atoms 2548 O GLU 331 16. 606 9. 591 49. 558 1. 00 36. 16 atoms 2549 N ASP 332 18. 269 8. 411 48. 700 1. 00 36. 25 atoms 2550 CA ASP 332 18. 511 9. 328 47. 596 1. 00 35. 68 atoms 2551 CB ASP 332 19. 642 8. 808 46. 697 1. 00 33. 77 atoms 2552 CG ASP 332 21. 012 8. 836 47. 343 1. 00 34. 50 atoms 2553 OD1 ASP 332 21. 191 9. 522 48. 379 1. 00 31. 89 atoms 2554 OD2 ASP 332 21. 928 8. 145 46. 848 1. 00 33. 11 atoms 2555 C ASP 332 17. 235 9. 526 46. 775 1. 00 35. 20 atoms 2556 O ASP 332 16. 823 10. 661 46. 510 1. 00 35. 26 atoms 2557 N ALA 333 16. 588 8. 434 46. 378 1. 00 34. 63 atoms 2558 CA ALA 333 15. 367 8. 515 45. 582 1. 00 36. 03 atom 2559 CB ALA 333 14. 936 7. 111 45. 181 1. 00 34. 69 atoms 2560 C ALA 333 14. 248 9. 283 46. 272 1. 00 36. 20 atoms 2561 O ALA 333 13. 614 10. 155 45. 656 1. 00 36. 27 atoms 2562 N ALA 334 14. 047 9. 044 47. 574 1. 00 36. 48 atoms 2563 CA ALA 334 13. 007 9. 767 48. 313 1. 00 36. 21 atoms 2564 CB ALA 334 12. 769 9. 124 49. 665 1. 00 35. 47 atoms 2565 C ALA 334 13. 344 11. 245 48. 506 1. 00 36. 11 atoms 2566 O ALA 334 12. 467 12. 118 48. 559 1. 00 35. 78 atoms 2567 N SER 335 14. 630 11. 547 48. 631 1. 00 35. 28 atoms 2568 CA SER 335 15. 117 12. 899 48. 814 1. 00 35. 61 atoms 2569 CB SER 335 16. 596 12. 850 49. 211 1. 00 38. 47 atoms 2570 OG SER 335 16. 726 13. 107 50. 600 1. 00 42. 74 atoms 2571 C SER 335 14. 937 13. 768 47. 572 1. 00 36. 05 atom 2572 O SER 335 14. 520 14. 926 47. 649 1. 00 34. 47 atoms 2573 N LEU 336 15. 246 13. 207 46. 400 1. 00 35. 53 atoms 2574 CA LEU 336 15. 042 13. 916 45. 150 1. 00 36. 26 atoms 2575 CB LEU 336 15. 421 13. 079 43. 925 1. 00 36. 24 atoms 2576 CG LEU 336 16. 727 13. 515 43. 261 1. 00 37. 95 atoms 2577 CD1 LEU 336 17. 924 13. 243 44. 173 1. 00 39. 03 atom 2578 CD2 LEU 336 16. 899 12. 795 41. 936 1. 00 37. 53 atoms 2579 C LEU 336 13. 582 14. 343 45. 016 1. 00 35. 96 atoms 2580 O LEU 336 13. 308 15. 512 44. 763 1. 00 35. 19 atoms 2581 N ARG 337 12. 655 13. 419 45. 244 1. 00 36. 14 atoms 2582 CA ARG 337 11. 231 13. 738 45. 195 1. 00 35. 70 atoms 2583 CB ARG 337 10. 353 12. 506 45. 416 1. 00 36. 11 atoms 2584 CG ARG 337 10. 335 11. 545 44. 232 1. 00 38. 83 atoms 2585 CD ARG 337 9. 411 10. 348 44. 496 1. 00 40. 22 atoms 2586 NE ARG 337 9. 657 9. 719 45. 778 1. 00 39. 19 atoms 2587 CZ ARG 337 10. 236 8. 561 46. 047 1. 00 41. 14 atoms 2588 NH1 ARG 337 10. 670 7. 723 45. 117 1. 00 38. 64 atoms 2589 NH2 ARG 337 10. 400 8. 144 47. 307 1. 00 43. 71 atoms 2590 C ARG 337 10. 887 14. 829 46. 198 1. 00 34. 60 atoms 2591 O ARG 337 10. 107 15. 732 45. 877 1. 00 35. 46 atoms 2592 N VAL 338 11. 452 14. 838 47. 397 1. 00 34. 15 atoms 2593 CA VAL 338 11. 180 15. 955 48. 314 1. 00 33. 78 atoms 2594 CB VAL 338 11. 681 15. 698 49. 732 1. 00 33. 92 atoms 2595 CG1 VAL 338 11. 365 16. 848 50. 678 1. 00 31. 97 atoms 2596 CG2 VAL 338 11. 052 14. 401 50. 233 1. 00 33. 85 atoms 2597 C VAL 338 11. 791 17. 213 47. 698 1. 00 33. 55 atoms 2598 O VAL 338 11. 193 18. 285 47. 715 1. 00 33. 64 atoms 2599 N PHE 339 12. 948 17. 082 47. 056 1. 00 33. 81 atoms 2600 CA PHE 339 13. 608 18. 198 46. 402 1. 00 34. 27 atoms 2601 CB PHE 339 14. 955 17. 728 45. 841 1. 00 31. 31 atom 2602 CG PHE 339 15. 639 18. 809 45. 047 1. 00 29. 80 atoms 2603 CD1 PHE 339 16. 553 19. 637 45. 684 1. 00 30. 25 atoms 2604 CD2 PHE 339 15. 364 19. 023 43. 716 1. 00 29. 29 atoms 2605 CE1 PHE 339 17. 205 20. 631 45. 004 1. 00 30. 41 atoms 2606 CE2 PHE 339 16. 012 20. 029 43. 018 1. 00 30. 52 atoms 2607 CZ PHE 339 16. 931 20. 823 43. 655 1. 00 30. 30 atoms 2608 C PHE 339 12. 740 18. 862 45. 335 1. 00 34. 83 atoms 2609 O PHE 339 12. 477 20. 076 45. 391 1. 00 33. 14 atoms 2610 N THR 340 12. 220 18. 059 44. 408 1. 00 35. 31 atoms 2611 CA THR 340 11. 360 18. 570 43. 344 1. 00 37. 57 atoms 2612 CB THR 340 11. 255 17. 660 42. 103 1. 00 38. 85 atoms 2613 OG1 THR 340 9. 909 17. 437 41. 637 1. 00 38. 26 atoms 2614 CG2 THR 340 11. 938 16. 324 42. 280 1. 00 35. 09 atom 2615 C THR 340 10. 014 19. 020 43. 881 1. 00 38. 40 atoms 2616 O THR 340 9. 352 19. 802 43. 205 1. 00 38. 54 atoms 2617 N GLU 341 9. 593 18. 629 45. 077 1. 00 39. 01 atom 2618 CA GLU 341 8. 361 19. 125 45. 669 1. 00 39. 93 atoms 2619 CB GLU 341 7. 922 18. 312 46. 896 1. 00 42. 66 atoms 2620 CG GLU 341 7. 425 16. 933 46. 523 1. 00 48. 20 atoms 2621 CD GLU 341 7. 187 15. 937 47. 634 1. 00 51. 03 atom 2622 OE1 GLU 341 7. 205 16. 282 48. 831 1. 00 51. 74 atoms 2623 OE2 GLU 341 6. 962 14. 740 47. 305 1. 00 53. 62 atoms 2624 C GLU 341 8. 548 20. 582 46. 107 1. 00 38. 80 atoms 2625 O GLU 341 7. 714 21. 441 45. 837 1. 00 38. 70 atoms 2626 N ALA 342 9. 663 20. 820 46. 792 1. 00 37. 52 atoms 2627 CA ALA 342 10. 001 22. 175 47. 241 1. 00 36. 40 atoms 2628 CB ALA 342 11. 235 22. 110 48. 109 1. 00 35. 93 atoms 2629 C ALA 342 10. 163 23. 099 46. 036 1. 00 35. 52 atoms 2630 O ALA 342 9. 445 24. 092 45. 932 1. 00 33. 62 atoms 2631 N MET 343 10. 956 22. 712 45. 027 1. 00 34. 92 atoms 2632 CA MET 343 11. 100 23. 445 43. 783 1. 00 34. 48 atoms 2633 CB MET 343 11. 931 22. 681 42. 741 1. 00 31. 80 atoms 2634 CG MET 343 13. 398 22. 455 43. 088 1. 00 28. 42 atoms 2635 SD MET 343 14. 348 23. 997 43. 183 1. 00 26. 69 atoms 2636 CE MET 343 14. 467 24. 378 41. 437 1. 00 24. 16 atoms 2637 C MET 343 9. 727 23. 752 43. 170 1. 00 35. 63 atoms 2638 O MET 343 9. 442 24. 854 42. 670 1. 00 34. 00 atom 2639 N THR 344 8. 834 22. 761 43. 198 1. 00 36. 17 atoms 2640 CA THR 344 7. 490 22. 934 42. 641 1. 00 37. 75 atoms 2641 CB THR 344 6. 732 21. 603 42. 631 1. 00 37. 35 atoms 2642 OG1 THR 344 7. 519 20. 735 41. 797 1. 00 38. 53 atoms 2643 CG2 THR 344 5. 330 21. 710 42. 053 1. 00 34. 74 atoms 2644 C THR 344 6. 700 24. 017 43. 356 1. 00 38. 54 atoms 2645 O THR 344 6. 152 24. 898 42. 705 1. 00 38. 85 atoms 2646 N ARG 345 6. 694 24. 029 44. 676 1. 00 39. 11 atoms 2647 CA ARG 345 6. 072 25. 039 45. 501 1. 00 39. 59 atoms 2648 CB ARG 345 6. 273 24. 694 46. 977 1. 00 39. 51 atoms 2649 CG ARG 345 5. 159 23. 832 47. 550 1. 00 42. 47 atoms 2650 CD ARG 345 5. 363 23. 823 49. 068 1. 00 46. 19 atoms 2651 NE ARG 345 6. 342 22. 780 49. 363 1. 00 50. 63 atoms 2652 CZ ARG 345 7. 452 22. 881 50. 074 1. 00 50. 35 atoms 2653 NH1 ARG 345 7. 827 24. 033 50. 604 1. 00 51. 38 atoms 2654 NH2 ARG 345 8. 186 21. 786 50. 220 1. 00 48. 48 atoms 2655 C ARG 345 6. 659 26. 423 45. 276 1. 00 40. 17 atoms 2656 O ARG 345 5. 948 27. 408 45. 413 1. 00 41. 43 atoms 2657 N TYR 346 7. 935 26. 527 44. 923 1. 00 40. 18 atoms 2658 CA TYR 346 8. 608 27. 764 44. 619 1. 00 40. 02 atom 2659 CB TYR 346 10. 124 27. 644 44. 814 1. 00 39. 12 atoms 2660 CG TYR 346 10. 568 27. 177 46. 183 1. 00 37. 04 atom 2661 CD1 TYR 346 9. 831 27. 488 47. 321 1. 00 36. 26 atoms 2662 CE1 TYR 346 10. 240 27. 060 48. 577 1. 00 35. 81 atoms 2663 CD2 TYR 346 11. 736 26. 447 46. 334 1. 00 35. 04 atom 2664 CE2 TYR 346 12. 162 26. 036 47. 580 1. 00 35. 36 atoms 2665 CZ TYR 346 11. 409 26. 344 48. 696 1. 00 35. 53 atoms 2666 OH TYR 346 11. 815 25. 932 49. 937 1. 00 35. 54 atoms 2667 C TYR 346 8. 362 28. 173 43. 169 1. 00 40. 48 atoms 2668 O TYR 346 8. 908 29. 176 42. 726 1. 00 40. 30 atoms 2669 N SER 347 7. 579 27. 403 42. 432 1. 00 41. 56 atoms 2670 CA SER 347 7. 271 27. 689 41. 051 1. 00 44. 25 atoms 2671 CB SER 347 6. 772 29. 135 40. 903 1. 00 45. 32 atoms 2672 OG SER 347 6. 488 29. 393 39. 541 1. 00 48. 51 atoms 2673 C SER 347 8. 453 27. 445 40. 121 1. 00 45. 42 atoms 2674 O SER 347 8. 879 28. 322 39. 357 1. 00 46. 85 atoms 2675 N ALA 348 9. 004 26. 239 40. 177 1. 00 45. 07 atom 2676 CA ALA 348 10. 071 25. 794 39. 286 1. 00 45. 01 atom 2677 CB ALA 348 11. 469 26. 117 39. 758 1. 00 44. 64 atoms 2678 C ALA 348 9. 879 24. 277 39. 147 1. 00 44. 89 atoms 2679 O ALA 348 10. 647 23. 487 39. 687 1. 00 43. 73 atoms 2680 N PRO 349 8. 775 23. 906 38. 510 1. 00 44. 97 atoms 2681 CD PRO 349 7. 810 24. 804 37. 838 1. 00 45. 37 atoms 2682 CA PRO 349 8. 402 22. 504 38. 335 1. 00 45. 30 atoms 2683 CB PRO 349 6. 905 22. 579 38. 056 1. 00 45. 30 atoms 2684 CG PRO 349 6. 685 23. 905 37. 417 1. 00 45. 43 atoms 2685 C PRO 349 9. 192 21. 814 37. 245 1. 00 44. 52 atoms 2686 O PRO 349 9. 657 22. 464 36. 309 1. 00 45. 00 atom 2687 N PRO 350 9. 414 20. 515 37. 367 1. 00 44. 56 atoms 2688 CD PRO 350 8. 907 19. 686 38. 485 1. 00 44. 84 atoms 2689 CA PRO 350 10. 191 19. 753 36. 421 1. 00 44. 98 atoms 2690 CB PRO 350 10. 483 18. 445 37. 139 1. 00 44. 92 atoms 2691 CG PRO 350 9. 669 18. 407 38. 365 1. 00 45. 21 atoms 2692 C PRO 350 9. 544 19. 493 35. 071 1. 00 45. 61 atoms 2693 O PRO 350 8. 331 19. 592 34. 918 1. 00 46. 07 atom 2694 N GLY 351 10. 401 19. 162 34. 113 1. 00 46. 35 atoms 2695 CA GLY 351 10. 005 18. 757 32. 775 1. 00 47. 99 atoms 2696 C GLY 351 10. 482 17. 328 32. 536 1. 00 48. 76 atoms 2697 O GLY 351 10. 650 16. 934 31. 387 1. 00 50. 63 atoms 2698 N ASP 352 10. 772 16. 565 33. 549 1. 00 49. 47 atoms 2699 CA ASP 352 11. 240 15. 202 33. 634 1. 00 49. 94 atoms 2700 CB ASP 352 12. 352 14. 676 32. 764 1. 00 53. 09 atom 2701 CG ASP 352 12. 273 14. 668 31. 267 1. 00 56. 60 atoms 2702 OD1 ASP 352 11. 168 14. 516 30. 693 1. 00 58. 67 atoms 2703 OD2 ASP 352 13. 304 14. 892 30. 595 1. 00 57. 49 atoms 2704 C ASP 352 11. 801 15. 115 35. 078 1. 00 48. 74 atoms 2705 O ASP 352 12. 708 15. 886 35. 392 1. 00 48. 43 atoms 2706 N PRO 353 11. 209 14. 255 35. 880 1. 00 47. 25 atoms 2707 CD PRO 353 10. 129 13. 318 35. 538 1. 00 47. 18 atoms 2708 CA PRO 353 11. 686 14. 089 37. 245 1. 00 46. 26 atoms 2709 CB PRO 353 10. 943 12. 864 37. 751 1. 00 46. 47 atoms 2710 CG PRO 353 9. 733 12. 747 36. 880 1. 00 47. 48 atoms 2711 C PRO 353 13. 201 13. 898 37. 232 1. 00 44. 25 atoms 2712 O PRO 353 13. 758 13. 200 36. 384 1. 00 43. 68 atoms 2713 N PRO 354 13. 889 14. 576 38. 137 1. 00 42. 38 atoms 2714 CD PRO 354 13. 280 15. 455 39. 167 1. 00 41. 40 atoms 2715 CA PRO 354 15. 327 14. 433 38. 270 1. 00 41. 55 atoms 2716 CB PRO 354 15. 678 15. 311 39. 458 1. 00 40. 93 atoms 2717 CG PRO 354 14. 425 15. 781 40. 068 1. 00 41. 08 atom 2718 C PRO 354 15. 682 12. 963 38. 489 1. 00 40. 83 atoms 2719 O PRO 354 14. 846 12. 186 38. 945 1. 00 39. 88 atoms 2720 N GLN 355 16. 893 12. 540 38. 174 1. 00 40. 01 atom 2721 CA GLN 355 17. 341 11. 172 38. 381 1. 00 40. 63 atoms 2722 CB GLN 355 17. 482 10. 394 37. 080 1. 00 44. 11 atoms 2723 CG GLN 355 16. 200 10. 029 36. 360 1. 00 48. 70 atoms 2724 CD GLN 355 15. 178 9. 250 37. 155 1. 00 50. 76 atoms 2725 OE1 GLN 355 13. 960 9. 418 37. 021 1. 00 51. 58 atoms 2726 NE2 GLN 355 15. 639 8. 358 38. 025 1. 00 52. 35 atoms 2727 C GLN 355 18. 676 11. 159 39. 129 1. 00 39. 01 atom 2728 O GLN 355 19. 591 11. 874 38. 766 1. 00 39. 46 atoms 2729 N PRO 356 18. 766 10. 401 40. 212 1. 00 38. 08 atom 2730 CD PRO 356 17. 686 9. 508 40. 706 1. 00 37. 88 atoms 2731 CA PRO 356 19. 989 10. 292 40. 981 1. 00 36. 95 atoms 2732 CB PRO 356 19. 553 9. 541 42. 233 1. 00 37. 62 atoms 2733 CG PRO 356 18. 347 8. 771 41. 837 1. 00 38. 20 atoms 2734 C PRO 356 21. 039 9. 542 40. 187 1. 00 35. 57 atoms 2735 O PRO 356 20. 764 8. 514 39. 575 1. 00 34. 77 atoms 2736 N GLU 357 22. 257 10. 039 40. 116 1. 00 35. 70 atoms 2737 CA GLU 357 23. 340 9. 390 39. 376 1. 00 34. 95 atoms 2738 CB GLU 357 23. 751 10. 274 38. 200 1. 00 37. 14 atoms 2739 CG GLU 357 22. 730 10. 421 37. 097 1. 00 39. 47 atoms 2740 CD GLU 357 22. 447 9. 146 36. 323 1. 00 42. 28 atoms 2741 OE1 GLU 357 21. 393 9. 132 35. 638 1. 00 43. 89 atoms 2742 OE2 GLU 357 23. 211 8. 161 36. 357 1. 00 42. 55 atoms 2743 C GLU 357 24. 548 9. 117 40. 259 1. 00 34. 15 atoms 2744 O GLU 357 24. 857 9. 889 41. 175 1. 00 33. 32 atoms 2745 N TYR 358 25. 204 7. 971 40. 028 1. 00 33. 12 atoms 2746 CA TYR 358 26. 368 7. 592 40. 828 1. 00 32. 89 atoms 2747 CB TYR 358 26. 121 6. 276 41. 572 1. 00 31. 78 atoms 2748 CG TYR 358 24. 884 6. 409 42. 440 1. 00 29. 69 atoms 2749 CD1 TYR 358 23. 643 6. 062 41. 921 1. 00 28. 37 atoms 2750 CE1 TYR 358 22. 497 6. 202 42. 680 1. 00 27. 66 atoms 2751 CD2 TYR 358 24. 964 6. 929 43. 721 1. 00 28. 05 atom 2752 CE2 TYR 358 23. 832 7. 070 44. 500 1. 00 27. 10 atoms 2753 CZ TYR 358 22. 616 6. 700 43. 968 1. 00 27. 91 atoms 2754 OH TYR 358 21. 493 6. 859 44. 726 1. 00 29. 25 atoms 2755 C TYR 358 27. 617 7. 498 39. 961 1. 00 33. 56 atoms 2756 O TYR 358 28. 702 7. 054 40. 342 1. 00 33. 09 atom 2757 N ASP 359 27. 465 8. 035 38. 758 1. 00 34. 00 atom 2758 CA ASP 359 28. 560 8. 056 37. 788 1. 00 35. 55 atoms 2759 CB ASP 359 28. 307 6. 982 36. 746 1. 00 39. 76 atoms 2760 CG ASP 359 29. 297 6. 923 35. 608 1. 00 43. 48 atoms 2761 OD1 ASP 359 29. 147 6. 071 34. 692 1. 00 45. 94 atoms 2762 OD2 ASP 359 30. 260 7. 722 35. 597 1. 00 42. 96 atoms 2763 C ASP 359 28. 604 9. 483 37. 266 1. 00 35. 24 atoms 2764 O ASP 359 27. 667 9. 918 36. 599 1. 00 35. 02 atom 2765 N LEU 360 29. 684 10. 208 37. 572 1. 00 34. 88 atoms 2766 CA LEU 360 29. 817 11. 596 37. 176 1. 00 34. 12 atoms 2767 CB LEU 360 31. 119 12. 265 37. 634 1. 00 31. 83 atoms 2768 CG LEU 360 31. 317 13. 716 37. 131 1. 00 30. 38 atoms 2769 CD1 LEU 360 30. 430 14. 704 37. 872 1. 00 27. 11 atom 2770 CD2 LEU 360 32. 770 14. 147 37. 246 1. 00 30. 40 atoms 2771 C LEU 360 29. 666 11. 777 35. 668 1. 00 34. 75 atoms 2772 O LEU 360 29. 054 12. 757 35. 231 1. 00 34. 42 atoms 2773 N GLU 361 30. 096 10. 817 34. 863 1. 00 34. 16 atoms 2774 CA GLU 361 29. 977 10. 894 33. 420 1. 00 35. 31 atoms 2775 CB GLU 361 30. 780 9. 768 32. 756 1. 00 36. 45 atoms 2776 CG GLU 361 30. 771 9. 786 31. 239 1. 00 37. 49 atoms 2777 CD GLU 361 31. 634 8. 725 30. 603 1. 00 39. 14 atoms 2778 OE1 GLU 361 31. 856 8. 786 29. 370 1. 00 39. 05 atom 2779 OE2 GLU 361 32. 106 7. 819 31. 328 1. 00 40. 86 atoms 2780 C GLU 361 28. 531 10. 900 32. 961 1. 00 35. 64 atoms 2781 O GLU 361 28. 240 11. 401 31. 873 1. 00 35. 05 atom 2782 N LEU 362 27. 590 10. 416 33. 767 1. 00 36. 15 atoms 2783 CA LEU 362 26. 180 10. 399 33. 424 1. 00 36. 31 atoms 2784 CB LEU 362 25. 566 9. 152 34. 049 1. 00 37. 48 atoms 2785 CG LEU 362 26. 067 7. 810 33. 504 1. 00 38. 17 atoms 2786 CD1 LEU 362 25. 373 6. 655 34. 214 1. 00 37. 08 atom 2787 CD2 LEU 362 25. 857 7. 710 32. 001 1. 00 36. 11 atoms 2788 C LEU 362 25. 413 11. 637 33. 873 1. 00 37. 39 atoms 2789 O LEU 362 24. 188 11. 755 33. 757 1. 00 36. 29 atoms 2790 N ILE 363 26. 140 12. 615 34. 401 1. 00 38. 15 atoms 2791 CA ILE 363 25. 558 13. 860 34. 849 1. 00 39. 73 atoms 2792 CB ILE 363 26. 116 14. 297 36. 206 1. 00 40. 87 atoms 2793 CG2 ILE 363 25. 454 15. 628 36. 541 1. 00 41. 04 Atom 2794 CG1 ILE 363 25. 848 13. 247 37. 286 1. 00 40. 69 atoms 2795 CD1 ILE 363 26. 375 13. 634 38. 655 1. 00 41. 48 atoms 2796 C ILE 363 25. 791 14. 958 33. 812 1. 00 40. 78 atoms 2797 O ILE 363 26. 895 15. 487 33. 664 1. 00 41. 08 atom 2798 N THR 364 24. 741 15. 289 33. 084 1. 00 41. 16 atoms 2799 CA THR 364 24. 764 16. 332 32. 074 1. 00 42. 71 atoms 2800 CB THR 364 23. 769 15. 986 30. 948 1. 00 42. 29 atoms 2801 OG1 THR 364 24. 228 14. 807 30. 280 1. 00 43. 03 atom 2802 CG2 THR 364 23. 642 17. 086 29. 918 1. 00 42. 15 atoms 2803 C THR 364 24. 389 17. 694 32. 656 1. 00 43. 62 atoms 2804 O THR 364 23. 287 17. 881 33. 161 1. 00 44. 02 atom 2805 N SER 365 25. 284 18. 664 32. 555 1. 00 44. 40 atoms 2806 CA SER 365 25. 056 20. 024 33. 028 1. 00 44. 48 atoms 2807 CB SER 365 25. 925 20. 343 34. 230 1. 00 43. 36 atoms 2808 OG SER 365 26. 885 21. 343 34. 027 1. 00 42. 52 atoms 2809 C SER 365 25. 366 21. 000 31. 894 1. 00 45. 05 atom 2810 O SER 365 26. 450 20. 973 31. 310 1. 00 45. 65 atoms 2811 N CYS 366 24. 398 21. 821 31. 509 1. 00 45. 44 atoms 2812 CA CYS 366 24. 557 22. 753 30. 389 1. 00 45. 06 atom 2813 CB CYS 366 25. 728 23. 706 30. 609 1. 00 44. 43 atoms 2814 SG CYS 366 25. 536 24. 920 31. 938 1. 00 44. 13 atoms 2815 C CYS 366 24. 736 21. 951 29. 109 1. 00 44. 32 atoms 2816 O CYS 366 25. 583 22. 203 28. 261 1. 00 43. 80 atoms 2817 N SER 367 24. 010 20. 852 28. 957 1. 00 44. 70 atoms 2818 CA SER 367 24. 054 19. 911 27. 854 1. 00 44. 20 atoms 2819 CB SER 367 23. 535 20. 556 26. 562 1. 00 46. 68 atoms 2820 OG SER 367 24. 493 21. 447 26. 012 1. 00 48. 52 atoms 2821 C SER 367 25. 435 19. 295 27. 631 1. 00 42. 31 atom 2822 O SER 367 25. 704 18. 709 26. 581 1. 00 42. 62 atoms 2823 N SER 368 26. 287 19. 303 28. 642 1. 00 40. 18 atoms 2824 CA SER 368 27. 633 18. 771 28. 546 1. 00 37. 66 atoms 2825 CB SER 368 28. 571 19. 988 28. 603 1. 00 39. 21 atom 2826 OG SER 368 29. 879 19. 551 28. 251 1. 00 45. 58 atoms 2827 C SER 368 27. 947 17. 759 29. 635 1. 00 34. 95 atoms 2828 O SER 368 27. 245 17. 730 30. 654 1. 00 34. 69 atoms 2829 N ASN 369 28. 935 16. 890 29. 461 1. 00 32. 39 atoms 2830 CA ASN 369 29. 295 15. 969 30. 529 1. 00 31. 04 atom 2831 CB ASN 369 28. 588 14. 618 30. 529 1. 00 25. 95 atoms 2832 CG ASN 369 28. 969 13. 718 29. 370 1. 00 25. 90 atoms 2833 OD1 ASN 369 28. 481 13. 977 28. 263 1. 00 24. 06 atom 2834 ND2 ASN 369 29. 834 12. 727 29. 602 1. 00 22. 99 atoms 2835 C ASN 369 30. 807 15. 760 30. 570 1. 00 30. 92 atoms 2836 O ASN 369 31. 511 15. 859 29. 565 1. 00 31. 50 atoms 2837 N VAL 370 31. 280 15. 448 31. 769 1. 00 30. 92 atoms 2838 CA VAL 370 32. 709 15. 172 31. 939 1. 00 31. 89 atoms 2839 CB VAL 370 33. 101 15. 353 33. 416 1. 00 32. 13 atoms 2840 CG1 VAL 370 34. 538 14. 953 33. 666 1. 00 30. 83 atoms 2841 CG2 VAL 370 32. 820 16. 794 33. 830 1. 00 30. 79 atoms 2842 C VAL 370 33. 002 13. 746 31. 505 1. 00 32. 09 atom 2843 O VAL 370 32. 215 12. 849 31. 804 1. 00 33. 79 atoms 2844 N SER 371 34. 106 13. 512 30. 827 1. 00 32. 19 atoms 2845 CA SER 371 34. 468 12. 157 30. 428 1. 00 32. 30 atoms 2846 CB SER 371 33. 951 11. 790 29. 044 1. 00 32. 16 atoms 2847 OG SER 371 33. 909 10. 370 28. 902 1. 00 32. 16 atoms 2848 C SER 371 35. 985 12. 046 30. 554 1. 00 32. 58 atoms 2849 O SER 371 36. 646 13. 062 30. 744 1. 00 32. 53 atoms 2850 N VAL 372 36. 516 10. 841 30. 474 1. 00 33. 10 atoms 2851 CA VAL 372 37. 922 10. 551 30. 661 1. 00 33. 98 atoms 2852 CB VAL 372 38. 090 9. 473 31. 772 1. 00 34. 27 atoms 2853 CG1 VAL 372 39. 542 9. 124 32. 057 1. 00 35. 63 atoms 2854 CG2 VAL 372 37. 424 9. 936 33. 046 1. 00 33. 72 atoms 2855 C VAL 372 38. 569 9. 983 29. 401 1. 00 33. 96 atoms 2856 O VAL 372 37. 956 9. 274 28. 611 1. 00 33. 59 atoms 2857 N ALA 373 39. 840 10. 249 29. 258 1. 00 34. 15 atoms 2858 CA ALA 373 40. 697 9. 778 28. 190 1. 00 36. 83 atoms 2859 CB ALA 373 40. 553 10. 520 26. 879 1. 00 35. 63 atoms 2860 C ALA 373 42. 121 9. 943 28. 718 1. 00 37. 97 atoms 2861 O ALA 373 42. 313 10. 371 29. 854 1. 00 37. 83 atoms 2862 N HIS 374 43. 087 9. 493 27. 932 1. 00 39. 90 atoms 2863 CA HIS 374 44. 482 9. 598 28. 357 1. 00 42. 26 atoms 2864 CB HIS 374 45. 072 8. 199 28. 574 1. 00 43. 99 atoms 2865 CG HIS 374 44. 278 7. 327 29. 499 1. 00 45. 89 atoms 2866 CD2 HIS 374 43. 112 6. 664 29. 272 1. 00 45. 73 atoms 2867 ND1 HIS 374 44. 619 7. 070 30. 809 1. 00 45. 75 atoms 2868 CE1 HIS 374 43. 700 6. 280 31. 340 1. 00 46. 05 atom 2869 NE2 HIS 374 42. 773 6. 034 30. 436 1. 00 45. 88 atoms 2870 C HIS 374 45. 290 10. 325 27. 287 1. 00 42. 98 atoms 2871 O HIS 374 44. 953 10. 190 26. 105 1. 00 42. 57 atoms 2872 N ASP 375 46. 351 11. 003 27. 701 1. 00 43. 81 atoms 2873 CA ASP 375 47. 229 11. 653 26. 731 1. 00 45. 84 atoms 2874 CB ASP 375 47. 842 12. 946 27. 257 1. 00 45. 77 atoms 2875 CG ASP 375 48. 691 12. 754 28. 493 1. 00 46. 41 atom 2876 OD1 ASP 375 49. 167 11. 623 28. 715 1. 00 47. 28 atoms 2877 OD2 ASP 375 48. 860 13. 736 29. 251 1. 00 46. 70 atoms 2878 C ASP 375 48. 305 10. 658 26. 308 1. 00 47. 08 atom 2879 O ASP 375 48. 291 9. 501 26. 716 1. 00 46. 83 atoms 2880 N ALA 376 49. 273 11. 093 25. 521 1. 00 49. 15 atoms 2881 CA ALA 376 50. 360 10. 276 25. 006 1. 00 51. 61 atoms 2882 CB ALA 376 51. 251 11. 144 24. 120 1. 00 52. 07 atom 2883 C ALA 376 51. 226 9. 638 26. 083 1. 00 52. 97 atoms 2884 O ALA 376 51. 710 8. 509 25. 962 1. 00 52. 80 atoms 2885 N SER 377 51. 395 10. 352 27. 197 1. 00 54. 26 atoms 2886 CA SER 377 52. 164 9. 858 28. 327 1. 00 55. 35 atoms 2887 CB SER 377 52. 593 11. 008 29. 237 1. 00 57. 26 atoms 2888 OG SER 377 53. 596 11. 792 28. 607 1. 00 61. 87 atoms 2889 C SER 377 51. 395 8. 841 29. 154 1. 00 55. 47 atoms 2890 O SER 377 51. 924 8. 328 30. 147 1. 00 56. 14 atoms 2891 N GLY 378 50. 132 8. 595 28. 839 1. 00 55. 00 atom 2892 CA GLY 378 49. 291 7. 672 29. 580 1. 00 54. 48 atoms 2893 C GLY 378 48. 493 8. 397 30. 656 1. 00 54. 15 atoms 2894 O GLY 378 47. 610 7. 825 31. 280 1. 00 54. 18 atoms 2895 N LYS 379 48. 791 9. 667 30. 874 1. 00 54. 05 atom 2896 CA LYS 379 48. 150 10. 497 31. 875 1. 00 53. 89 atoms 2897 CB LYS 379 48. 780 11. 888 31. 834 1. 00 57. 08 atom 2898 CG LYS 379 48. 193 12. 977 32. 700 1. 00 59. 77 atoms 2899 CD LYS 379 48. 876 13. 152 34. 040 1. 00 61. 29 atoms 2900 CE LYS 379 48. 686 14. 564 34. 577 1. 00 62. 90 atoms 2901 NZ LYS 379 49. 596 15. 557 33. 934 1. 00 64. 60 atoms 2902 C LYS 379 46. 645 10. 594 31. 650 1. 00 52. 58 atoms 2903 O LYS 379 46. 186 10. 798 30. 523 1. 00 53. 27 atoms 2904 N ARG 380 45. 871 10. 429 32. 716 1. 00 50. 20 atoms 2905 CA ARG 380 44. 424 10. 576 32. 598 1. 00 48. 14 atoms 2906 CB ARG 380 43. 646 10. 049 33. 801 1. 00 50. 63 atoms 2907 CG ARG 380 43. 608 8. 524 33. 802 1. 00 55. 18 atoms 2908 CD ARG 380 43. 179 7. 995 35. 154 1. 00 57. 32 atoms 2909 NE ARG 380 41. 738 8. 052 35. 338 1. 00 60. 86 atoms 2910 CZ ARG 380 41. 148 8. 571 36. 410 1. 00 63. 42 atoms 2911 NH1 ARG 380 41. 868 9. 109 37. 392 1. 00 63. 63 atoms 2912 NH2 ARG 380 39. 816 8. 557 36. 466 1. 00 64. 35 atoms 2913 C ARG 380 44. 081 12. 054 32. 408 1. 00 44. 95 atoms 2914 O ARG 380 44. 714 12. 937 32. 972 1. 00 44. 32 atoms 2915 N VAL 381 43. 144 12. 318 31. 519 1. 00 42. 18 atoms 2916 CA VAL 381 42. 707 13. 671 31. 213 1. 00 40. 01 atom 2917 CB VAL 381 43. 306 14. 205 29. 908 1. 00 40. 44 atoms 2918 CG1 VAL 381 42. 569 15. 440 29. 391 1. 00 39. 66 atoms 2919 CG2 VAL 381 44. 788 14. 558 30. 069 1. 00 40. 03 atom 2920 C VAL 381 41. 177 13. 697 31. 180 1. 00 38. 59 atoms 2921 O VAL 381 40. 536 12. 953 30. 447 1. 00 36. 92 atoms 2922 N TYR 382 40. 614 14. 563 32. 017 1. 00 38. 03 atom 2923 CA TYR 382 39. 168 14. 753 32. 103 1. 00 37. 24 atoms 2924 CB TYR 382 38. 648 15. 092 33. 493 1. 00 37. 22 atoms 2925 CG TYR 382 38. 747 13. 983 34. 512 1. 00 37. 02 atom 2926 CD1 TYR 382 39. 799 13. 959 35. 424 1. 00 37. 48 atoms 2927 CE1 TYR 382 39. 925 12. 962 36. 374 1. 00 37. 09 atom 2928 CD2 TYR 382 37. 814 12. 967 34. 571 1. 00 36. 70 atoms 2929 CE2 TYR 382 37. 934 11. 963 35. 519 1. 00 38. 46 atoms 2930 CZ TYR 382 38. 991 11. 952 36. 408 1. 00 38. 46 atoms 2931 OH TYR 382 39. 071 10. 928 37. 331 1. 00 38. 36 atoms 2932 C TYR 382 38. 822 15. 877 31. 130 1. 00 37. 05 atom 2933 O TYR 382 39. 654 16. 768 30. 964 1. 00 37. 38 atoms 2934 N TYR 383 37. 683 15. 795 30. 461 1. 00 36. 32 atoms 2935 CA TYR 383 37. 317 16. 825 29. 491 1. 00 36. 24 atoms 2936 CB TYR 383 38. 090 16. 600 28. 167 1. 00 35. 32 atoms 2937 CG TYR 383 37. 566 15. 347 27. 491 1. 00 34. 72 atoms 2938 CD1 TYR 383 36. 637 15. 441 26. 466 1. 00 34. 29 atoms 2939 CE1 TYR 383 36. 120 14. 301 25. 868 1. 00 33. 76 atoms 2940 CD2 TYR 383 37. 950 14. 080 27. 918 1. 00 34. 05 atom 2941 CE2 TYR 383 37. 438 12. 938 27. 334 1. 00 32. 33 atoms 2942 CZ TYR 383 36. 521 13. 058 26. 317 1. 00 33. 15 atoms 2943 OH TYR 383 35. 992 11. 932 25. 742 1. 00 32. 40 atoms 2944 C TYR 383 35. 807 16. 829 29. 292 1. 00 35. 79 atoms 2945 O TYR 383 35. 113 15. 894 29. 708 1. 00 36. 84 atoms 2946 N LEU 384 35. 279 17. 859 28. 657 1. 00 34. 97 atoms 2947 CA LEU 384 33. 859 17. 983 28. 395 1. 00 35. 04 atom 2948 CB LEU 384 33. 432 19. 460 28. 435 1. 00 39. 33 atom 2949 CG LEU 384 33. 262 20. 079 29. 829 1. 00 43. 11 atoms 2950 CD1 LEU 384 33. 165 21. 590 29. 676 1. 00 43. 79 atoms 2951 CD2 LEU 384 32. 024 19. 522 30. 515 1. 00 41. 32 atoms 2952 C LEU 384 33. 459 17. 483 27. 016 1. 00 33. 98 atoms 2953 O LEU 384 34. 107 17. 837 26. 047 1. 00 33. 66 atoms 2954 N THR 385 32. 371 16. 736 26. 954 1. 00 33. 83 atoms 2955 CA THR 385 31. 777 16. 231 25. 746 1. 00 33. 24 atoms 2956 CB THR 385 31. 729 14. 693 25. 561 1. 00 32. 40 atoms 2957 OG1 THR 385 32. 551 14. 004 26. 483 1. 00 36. 41 atom 2958 CG2 THR 385 32. 043 14. 363 24. 140 1. 00 26. 24 atoms 2959 C THR 385 30. 251 16. 509 25. 855 1. 00 33. 11 atoms 2960 O THR 385 29. 826 17. 045 26. 858 1. 00 31. 29 atoms 2961 N ARG 386 29. 541 15. 963 24. 888 1. 00 32. 58 atoms 2962 CA ARG 386 28. 114 15. 990 24. 784 1. 00 34. 19 atoms 2963 CB ARG 386 27. 629 17. 411 24. 440 1. 00 34. 94 atoms 2964 CG ARG 386 28. 175 17. 935 23. 110 1. 00 34. 47 atoms 2965 CD ARG 386 27. 384 19. 165 22. 646 1. 00 32. 11 atoms 2966 NE ARG 386 26. 025 18. 748 22. 321 1. 00 31. 36 atoms 2967 CZ ARG 386 24. 921 19. 452 22. 468 1. 00 32. 38 atoms 2968 NH1 ARG 386 24. 987 20. 695 22. 972 1. 00 30. 65 atoms 2969 NH2 ARG 386 23. 739 18. 929 22. 130 1. 00 29. 72 atoms 2970 C ARG 386 27. 697 15. 047 23. 654 1. 00 35. 06 atom 2971 O ARG 386 28. 515 14. 669 22. 812 1. 00 35. 18 atoms 2972 N ASP 387 26. 440 14. 626 23. 641 1. 00 36. 34 atoms 2973 CA ASP 387 25. 938 13. 822 22. 503 1. 00 35. 99 atoms 2974 CB ASP 387 24. 459 13. 578 22. 775 1. 00 35. 33 atom 2975 CG ASP 387 23. 806 12. 697 21. 735 1. 00 36. 35 atoms 2976 OD1 ASP 387 23. 725 13. 107 20. 566 1. 00 36. 75 atoms 2977 OD2 ASP 387 23. 396 11. 580 22. 124 1. 00 38. 67 atoms 2978 C ASP 387 26. 137 14. 721 21. 287 1. 00 36. 12 atoms 2979 O ASP 387 25. 816 15. 920 21. 325 1. 00 35. 42 atoms 2980 N PRO 388 26. 680 14. 218 20. 193 1. 00 36. 16 atoms 2981 CD PRO 388 27. 160 12. 838 20. 001 1. 00 35. 95 atoms 2982 CA PRO 388 26. 977 15. 055 19. 044 1. 00 35. 58 atoms 2983 CB PRO 388 28. 219 14. 394 18. 462 1. 00 35. 69 atoms 2984 CG PRO 388 28. 154 12. 976 18. 879 1. 00 36. 08 atom 2985 C PRO 388 25. 861 15. 196 18. 048 1. 00 34. 78 atoms 2986 O PRO 388 26. 089 15. 792 16. 984 1. 00 36. 28 atoms 2987 N THR 389 24. 650 14. 761 18. 349 1. 00 33. 85 atoms 2988 CA THR 389 23. 542 14. 879 17. 400 1. 00 33. 11 atoms 2989 CB THR 389 22. 268 14. 269 17. 999 1. 00 32. 28 atoms 2990 OG1 THR 389 22. 490 12. 872 18. 236 1. 00 30. 88 atoms 2991 CG2 THR 389 21. 117 14. 462 17. 028 1. 00 34. 42 atoms 2992 C THR 389 23. 295 16. 291 16. 902 1. 00 33. 31 atom 2993 O THR 389 23. 417 16. 560 15. 685 1. 00 33. 51 atoms 2994 N THR 390 22. 997 17. 229 17. 803 1. 00 32. 85 atoms 2995 CA THR 390 22. 764 18. 622 17. 404 1. 00 32. 06 Atomic 2996 CB THR 390 22. 292 19. 497 18. 561 1. 00 31. 41 atoms 2997 OG1 THR 390 21. 061 18. 938 19. 070 1. 00 32. 36 atoms 2998 CG2 THR 390 22. 024 20. 929 18. 123 1. 00 28. 60 atoms 2999 C THR 390 23. 936 19. 204 16. 643 1. 00 32. 52 atoms 3000 O THR 390 23. 801 19. 599 15. 483 1. 00 33. 52 atoms 3001 N PRO 391 25. 146 19. 199 17. 184 1. 00 32. 89 atoms 3002 CD PRO 391 25. 438 18. 741 18. 568 1. 00 31. 63 atoms 3003 CA PRO 391 26. 326 19. 640 16. 464 1. 00 32. 78 atoms 3004 CB PRO 391 27. 455 19. 190 17. 382 1. 00 32. 01 Atom 3005 CG PRO 391 26. 853 19. 204 18. 748 1. 00 31. 87 atoms 3006 C PRO 391 26. 454 19. 036 15. 069 1. 00 33. 95 atoms 3007 O PRO 391 26. 680 19. 768 14. 093 1. 00 34. 28 atoms 3008 N LEU 392 26. 330 17. 721 14. 869 1. 00 34. 68 atoms 3009 CA LEU 392 26. 436 17. 125 13. 534 1. 00 35. 01 atom 3010 CB LEU 392 26. 497 15. 594 13. 503 1. 00 33. 24 atoms 3011 CG LEU 392 27. 633 14. 875 14. 228 1. 00 33. 16 atoms 3012 CD1 LEU 392 27. 551 13. 358 14. 080 1. 00 33. 71 atoms 3013 CD2 LEU 392 28. 988 15. 363 13. 739 1. 00 32. 20 atoms 3014 C LEU 392 25. 250 17. 579 12. 678 1. 00 34. 77 atoms 3015 O LEU 392 25. 421 17. 837 11. 490 1. 00 35. 58 atoms 3016 N ALA 393 24. 059 17. 698 13. 249 1. 00 34. 40 atoms 3017 CA ALA 393 22. 886 18. 133 12. 497 1. 00 34. 19 atoms 3018 CB ALA 393 21. 643 18. 057 13. 367 1. 00 33. 08 atom 3019 C ALA 393 23. 069 19. 540 11. 968 1. 00 35. 46 atoms 3020 O ALA 393 22. 954 19. 790 10. 767 1. 00 35. 67 atoms 3021 N ARG 394 23. 494 20. 470 12. 837 1. 00 35. 98 atoms 3022 CA ARG 394 23. 684 21. 857 12. 419 1. 00 36. 11 atoms 3023 CB ARG 394 23. 828 22. 786 13. 625 1. 00 34. 15 atoms 3024 CG ARG 394 22. 559 22. 929 14. 434 1. 00 31. 37 atoms 3025 CD ARG 394 22. 781 23. 662 15. 744 1. 00 31. 88 atoms 3026 NE ARG 394 21. 538 23. 644 16. 509 1. 00 32. 91 atoms 3027 CZ ARG 394 21. 287 24. 206 17. 676 1. 00 32. 38 atoms 3028 NH1 ARG 394 22. 226 24. 897 18. 303 1. 00 30. 99 atoms 3029 NH2 ARG 394 20. 069 24. 059 18. 192 1. 00 33. 05 atom 3030 C ARG 394 24. 885 21. 952 11. 497 1. 00 37. 45 atoms 3031 O ARG 394 24. 982 22. 847 10. 655 1. 00 37. 12 atoms 3032 N ALA 395 25. 823 21. 016 11. 668 1. 00 37. 82 atoms 3033 CA ALA 395 26. 999 20. 974 10. 799 1. 00 39. 25 atoms 3034 CB ALA 395 28. 047 20. 027 11. 355 1. 00 37. 77 atoms 3035 C ALA 395 26. 562 20. 591 9. 376 1. 00 39. 69 atoms 3036 O ALA 395 27. 052 21. 158 8. 396 1. 00 38. 32 atoms 3037 N ALA 396 25. 589 19. 684 9. 263 1. 00 40. 30 atoms 3038 CA ALA 396 25. 055 19. 312 7. 964 1. 00 42. 27 atoms 3039 CB ALA 396 24. 204 18. 056 8. 032 1. 00 39. 84 atoms 3040 C ALA 396 24. 254 20. 473 7. 367 1. 00 43. 62 atoms 3041 O ALA 396 24. 425 20. 764 6. 177 1. 00 43. 22 atoms 3042 N TRP 397 23. 449 21. 152 8. 170 1. 00 45. 19 atoms 3043 CA TRP 397 22. 639 22. 279 7. 715 1. 00 47. 62 atoms 3044 CB TRP 397 21. 745 22. 834 8. 814 1. 00 44. 59 atoms 3045 CG TRP 397 20. 716 23. 841 8. 418 1. 00 43. 89 atoms 3046 CD2 TRP 397 19. 324 23. 607 8. 155 1. 00 40. 94 atoms 3047 CE2 TRP 397 18. 741 24. 849 7. 837 1. 00 40. 61 atoms 3048 CE3 TRP 397 18. 519 22. 469 8. 154 1. 00 39. 29 atoms 3049 CD1 TRP 397 20. 905 25. 188 8. 255 1. 00 43. 89 atoms 3050 NE1 TRP 397 19. 724 25. 791 7. 893 1. 00 40. 91 atoms 3051 CZ2 TRP 397 17. 386 24. 983 7. 523 1. 00 40. 82 atoms 3052 CZ3 TRP 397 17. 178 22. 596 7. 860 1. 00 38. 93 atoms 3053 CH2 TRP 397 16. 624 23. 849 7. 534 1. 00 39. 60 atoms 3054 C TRP 397 23. 533 23. 384 7. 185 1. 00 49. 78 atoms 3055 O TRP 397 23. 436 23. 781 6. 029 1. 00 50. 68 atoms 3056 N GLU 398 24. 506 23. 814 7. 976 1. 00 52. 21 atom 3057 CA GLU 398 25. 437 24. 866 7. 592 1. 00 54. 00 atom 3058 CB GLU 398 26. 269 25. 269 8. 823 1. 00 52. 21 atom 3059 CG GLU 398 25. 362 25. 935 9. 842 1. 00 52. 41 atom 3060 CD GLU 398 25. 791 25. 772 11. 281 1. 00 52. 94 atoms 3061 OE1 GLU 398 27. 003 25. 651 11. 534 1. 00 53. 03 atom 3062 OE2 GLU 398 24. 875 25. 766 12. 135 1. 00 53. 80 atoms 3063 C GLU 398 26. 321 24. 518 6. 411 1. 00 55. 72 atoms 3064 O GLU 398 26. 841 25. 410 5. 734 1. 00 55. 38 atoms 3065 N THR 399 26. 540 23. 240 6. 139 1. 00 57. 98 atoms 3066 CA THR 399 27. 334 22. 789 5. 006 1. 00 60. 29 atoms 3067 CB THR 399 27. 741 21. 310 5. 143 1. 00 59. 03 atom 3068 OG1 THR 399 28. 715 21. 169 6. 193 1. 00 57. 27 atoms 3069 CG2 THR 399 28. 332 20. 761 3. 856 1. 00 55. 95 atoms 3070 C THR 399 26. 544 22. 989 3. 712 1. 00 62. 62 atoms 3071 O THR 399 27. 077 23. 478 2. 723 1. 00 62. 55 atoms 3072 N ALA 400 25. 266 22. 634 3. 734 1. 00 64. 97 atoms 3073 CA ALA 400 24. 382 22. 722 2. 590 1. 00 68. 25 atoms 3074 CB ALA 400 23. 345 21. 600 2. 680 1. 00 66. 31 atoms 3075 C ALA 400 23. 636 24. 032 2. 406 1. 00 70. 56 atoms 3076 O ALA 400 22. 955 24. 196 1. 397 1. 00 70. 31 atoms 3077 N ARG 401 23. 685 24. 930 3. 366 1. 00 73. 82 atoms 3078 CA ARG 401 23. 064 26. 248 3. 259 1. 00 77. 65 atoms 3079 CB ARG 401 21. 815 26. 375 4. 112 1. 00 78. 00 atom 3080 CG ARG 401 20. 571 25. 952 3. 340 1. 00 79. 04 atom 3081 CD ARG 401 19. 459 25. 515 4. 279 1. 00 80. 15 atoms 3082 NE ARG 401 18. 245 25. 207 3. 522 1. 00 81. 25 atoms 3083 CZ ARG 401 17. 486 26. 121 2. 927 1. 00 81. 41 atoms 3084 NH1 ARG 401 17. 803 27. 411 3. 008 1. 00 81. 90 atoms 3085 NH2 ARG 401 16. 407 25. 744 2. 256 1. 00 80. 87 atoms 3086 C ARG 401 24. 137 27. 263 3. 624 1. 00 80. 29 atoms 3087 O ARG 401 25. 287 26. 830 3. 785 1. 00 80. 65 atoms 3088 N HIS 402 23. 854 28. 553 3. 685 1. 00 83. 11 atoms 3089 CA HIS 402 24. 924 29. 486 4. 048 1. 00 86. 13 atoms 3090 CB HIS 402 25. 225 30. 523 2. 982 1. 00 91. 11 atom 3091 CG HIS 402 25. 771 29. 917 1. 723 1. 00 94. 82 atoms 3092 CD2 HIS 402 27. 008 29. 537 1. 333 1. 00 96. 01 atom 3093 ND1 HIS 402 24. 928 29. 621 0. 671 1. 00 96. 32 atoms 3094 CE1 HIS 402 25. 622 29. 097 -0. 322 1. 00 96. 81 atoms 3095 NE2 HIS 402 26. 887 29. 034 0. 056 1. 00 97. 03 atom 3096 C HIS 402 24. 531 30. 181 5. 339 1. 00 86. 71 atoms 3097 O HIS 402 23. 413 30. 689 5. 432 1. 00 87. 33 atoms 3098 N THR 403 25. 420 30. 139 6. 319 1. 00 87. 01 atom 3099 CA THR 403 25. 039 30. 722 7. 598 1. 00 87. 23 atoms 3100 CB THR 403 24. 571 29. 569 8. 531 1. 00 88. 22 atoms 3101 OG1 THR 403 25. 411 28. 440 8. 220 1. 00 88. 58 atoms 3102 CG2 THR 403 23. 118 29. 177 8. 395 1. 00 88. 27 atoms 3103 C THR 403 26. 185 31. 438 8. 257 1. 00 86. 71 atoms 3104 O THR 403 26. 915 30. 816 9. 045 1. 00 87. 12 atoms 3105 N PRO 404 26. 201 32. 769 8. 228 1. 00 85. 86 atoms 3106 CD PRO 404 25. 301 33. 637 7. 444 1. 00 85. 94 atoms 3107 CA PRO 404 27. 145 33. 546 9. 027 1. 00 84. 50 atoms 3108 CB PRO 404 26. 916 34. 982 8. 649 1. 00 85. 41 atom 3109 CG PRO 404 25. 622 35. 026 7. 921 1. 00 85. 62 atoms 3110 C PRO 404 26. 840 33. 206 10. 481 1. 00 82. 90 atoms 3111 O PRO 404 27. 719 33. 279 11. 340 1. 00 83. 57 atoms 3112 N VAL 405 25. 612 32. 787 10. 797 1. 00 80. 26 atoms 3113 CA VAL 405 25. 258 32. 209 12. 077 1. 00 76. 56 atoms 3114 CB VAL 405 23. 914 32. 621 12. 655 1. 00 77. 33 atoms 3115 CG1 VAL 405 23. 803 32. 135 14. 095 1. 00 78. 55 atoms 3116 CG2 VAL 405 23. 779 34. 136 12. 579 1. 00 77. 31 atoms 3117 C VAL 405 25. 395 30. 679 11. 954 1. 00 73. 50 atoms 3118 O VAL 405 24. 621 29. 795 11. 632 1. 00 74. 47 atoms 3119 N ASN 406 26. 666 30. 382 12. 116 1. 00 69. 31 atoms 3120 CA ASN 406 27. 455 29. 183 12. 100 1. 00 63. 67 atoms 3121 CB ASN 406 28. 793 29. 615 11. 520 1. 00 63. 20 atoms 3122 CG ASN 406 30. 127 29. 066 11. 886 1. 00 62. 71 atoms 3123 OD1 ASN 406 31. 137 29. 632 11. 419 1. 00 61. 73 atoms 3124 ND2 ASN 406 30. 304 28. 012 12. 668 1. 00 61. 54 atoms 3125 C ASN 406 27. 667 28. 644 13. 510 1. 00 59. 88 atoms 3126 O ASN 406 27. 918 29. 420 14. 439 1. 00 59. 66 atoms 3127 N SER 407 27. 647 27. 323 13. 630 1. 00 55. 29 atoms 3128 CA SER 407 27. 859 26. 678 14. 912 1. 00 49. 74 atoms 3129 CB SER 407 26. 591 25. 893 15. 266 1. 00 47. 28 atoms 3130 OG SER 407 26. 402 24. 857 14. 324 1. 00 45. 94 atoms 3131 C SER 407 29. 044 25. 727 14. 919 1. 00 46. 85 atoms 3132 O SER 407 29. 650 25. 524 15. 970 1. 00 46. 32 atoms 3133 N TRP 408 29. 384 25. 157 13. 779 1. 00 44. 02 atom 3134 CA TRP 408 30. 441 24. 176 13. 645 1. 00 42. 14 atoms 3135 CB TRP 408 30. 528 23. 673 12. 201 1. 00 42. 71 atoms 3136 CG TRP 408 31. 041 24. 595 11. 151 1. 00 41. 41 atoms 3137 CD2 TRP 408 32. 404 24. 849 10. 795 1. 00 39. 86 atoms 3138 CE2 TRP 408 32. 389 25. 779 9. 731 1. 00 40. 89 atoms 3139 CE3 TRP 408 33. 633 24. 402 11. 274 1. 00 39. 00 atom 3140 CD1 TRP 408 30. 274 25. 355 10. 299 1. 00 41. 36 atoms 3141 NE1 TRP 408 31. 084 26. 065 9. 441 1. 00 39. 61 atoms 3142 CZ2 TRP 408 33. 565 26. 255 9. 146 1. 00 42. 06 atom 3143 CZ3 TRP 408 34. 794 24. 875 10. 699 1. 00 39. 45 atoms 3144 CH2 TRP 408 34. 760 25. 796 9. 637 1. 00 40. 98 atoms 3145 C TRP 408 31. 832 24. 552 14. 129 1. 00 40. 31 atom 3146 O TRP 408 32. 501 23. 703 14. 742 1. 00 40. 63 atoms 3147 N LEU 409 32. 282 25. 771 13. 867 1. 00 38. 52 atoms 3148 CA LEU 409 33. 609 26. 187 14. 299 1. 00 37. 09 atom 3149 CB LEU 409 34. 026 27. 419 13. 511 1. 00 36. 98 atoms 3150 CG LEU 409 35. 421 27. 942 13. 889 1. 00 36. 72 atoms 3151 CD1 LEU 409 36. 486 27. 060 13. 280 1. 00 34. 87 atoms 3152 CD2 LEU 409 35. 544 29. 407 13. 489 1. 00 37. 52 atoms 3153 C LEU 409 33. 643 26. 380 15. 811 1. 00 36. 39 atoms 3154 O LEU 409 34. 633 26. 061 16. 473 1. 00 36. 42 atoms 3155 N GLY 410 32. 544 26. 824 16. 407 1. 00 34. 70 atoms 3156 CA GLY 410 32. 430 26. 928 17. 850 1. 00 34. 06 atom 3157 C GLY 410 32. 428 25. 533 18. 477 1. 00 32. 83 atoms 3158 O GLY 410 32. 998 25. 389 19. 553 1. 00 33. 25 atoms 3159 N ASN 411 31. 828 24. 532 17. 856 1. 00 31. 83 atoms 3160 CA ASN 411 31. 845 23. 170 18. 396 1. 00 31. 75 atoms 3161 CB ASN 411 30. 826 22. 247 17. 742 1. 00 31. 51 atoms 3162 CG ASN 411 29. 406 22. 544 18. 185 1. 00 33. 79 atoms 3163 OD1 ASN 411 29. 036 22. 563 19. 365 1. 00 33. 87 atoms 3164 ND2 ASN 411 28. 548 22. 792 17. 197 1. 00 33. 65 atoms 3165 C ASN 411 33. 252 22. 579 18. 323 1. 00 30. 32 atoms 3166 O ASN 411 33. 712 22. 003 19. 301 1. 00 28. 91 atoms 3167 N ILE 412 33. 959 22. 838 17. 225 1. 00 30. 29 atoms 3168 CA ILE 412 35. 352 22. 412 17. 107 1. 00 29. 80 atoms 3169 CB ILE 412 35. 930 22. 759 15. 722 1. 00 28. 33 atoms 3170 CG2 ILE 412 37. 433 22. 535 15. 671 1. 00 26. 14 atoms 3171 CG1 ILE 412 35. 204 21. 926 14. 665 1. 00 30. 28 atoms 3172 CD1 ILE 412 35. 617 22. 087 13. 221 1. 00 30. 99 atoms 3173 C ILE 412 36. 197 22. 967 18. 243 1. 00 29. 45 atoms 3174 O ILE 412 36. 946 22. 242 18. 892 1. 00 29. 27 atoms 3175 N ILE 413 36. 110 24. 258 18. 533 1. 00 30. 12 atoms 3176 CA ILE 413 36. 813 24. 898 19. 632 1. 00 29. 29 atoms 3177 CB ILE 413 36. 575 26. 426 19. 550 1. 00 27. 87 atoms 3178 CG2 ILE 413 37. 046 27. 109 20. 833 1. 00 22. 19 atoms 3179 CG1 ILE 413 37. 294 26. 937 18. 286 1. 00 27. 39 atoms 3180 CD1 ILE 413 37. 149 28. 412 17. 985 1. 00 22. 53 atoms 3181 C ILE 413 36. 361 24. 442 21. 016 1. 00 29. 91 atoms 3182 O ILE 413 37. 182 24. 135 21. 886 1. 00 29. 57 atoms 3183 N MET 414 35. 059 24. 450 21. 277 1. 00 29. 74 atoms 3184 CA MET 414 34. 520 24. 056 22. 575 1. 00 31. 48 atoms 3185 CB MET 414 33. 026 24. 327 22. 722 1. 00 31. 34 atoms 3186 CG MET 414 32. 592 25. 778 22. 904 1. 00 34. 57 atoms 3187 SD MET 414 30. 793 25. 889 23. 157 1. 00 34. 92 atoms 3188 CE MET 414 30. 203 25. 274 21. 588 1. 00 33. 88 atoms 3189 C MET 414 34. 740 22. 569 22. 867 1. 00 32. 18 atoms 3190 O MET 414 34. 991 22. 207 24. 007 1. 00 32. 15 atoms 3191 N TYR 415 34. 590 21. 713 21. 856 1. 00 31. 89 atoms 3192 CA TYR 415 34. 751 20. 274 22. 041 1. 00 31. 79 atoms 3193 CB TYR 415 33. 441 19. 561 21. 652 1. 00 31. 26 atoms 3194 CG TYR 415 32. 278 20. 001 22. 531 1. 00 30. 18 atoms 3195 CD1 TYR 415 31. 287 20. 829 22. 025 1. 00 30. 57 atoms 3196 CE1 TYR 415 30. 240 21. 259 22. 828 1. 00 29. 66 atoms 3197 CD2 TYR 415 32. 202 19. 612 23. 866 1. 00 28. 63 atoms 3198 CE2 TYR 415 31. 160 20. 016 24. 667 1. 00 29. 14 atoms 3199 CZ TYR 415 30. 183 20. 848 24. 141 1. 00 30. 26 atoms 3200 OH TYR 415 29. 118 21. 284 24. 896 1. 00 31. 45 atoms 3201 C TYR 415 35. 954 19. 747 21. 262 1. 00 31. 79 atoms 3202 O TYR 415 35. 987 18. 621 20. 775 1. 00 29. 58 atoms 3203 N ALA 416 37. 039 20. 552 21. 247 1. 00 32. 47 atoms 3204 CA ALA 416 38. 276 20. 172 20. 567 1. 00 32. 91 atoms 3205 CB ALA 416 39. 398 21. 191 20. 693 1. 00 32. 98 atoms 3206 C ALA 416 38. 858 18. 833 20. 999 1. 00 32. 92 atoms 3207 O ALA 416 39. 227 18. 051 20. 138 1. 00 32. 59 atoms 3208 N PRO 417 38. 924 18. 528 22. 290 1. 00 32. 74 atoms 3209 CD PRO 417 38. 558 19. 431 23. 409 1. 00 33. 21 atoms 3210 CA PRO 417 39. 453 17. 274 22. 755 1. 00 31. 81 atoms 3211 CB PRO 417 39. 559 17. 438 24. 267 1. 00 32. 41 atoms 3212 CG PRO 417 39. 279 18. 858 24. 600 1. 00 33. 14 atoms 3213 C PRO 417 38. 561 16. 088 22. 445 1. 00 31. 61 atoms 3214 O PRO 417 39. 022 14. 962 22. 659 1. 00 31. 28 atoms 3215 N THR 418 37. 297 16. 277 22. 051 1. 00 30. 92 atoms 3216 CA THR 418 36. 432 15. 125 21. 902 1. 00 30. 90 atoms 3217 CB THR 418 34. 919 15. 435 21. 915 1. 00 28. 55 atoms 3218 OG1 THR 418 34. 554 15. 925 20. 623 1. 00 25. 08 atom 3219 CG2 THR 418 34. 558 16. 409 23. 019 1. 00 24. 07 atom 3220 C THR 418 36. 733 14. 276 20. 669 1. 00 31. 63 atoms 3221 O THR 418 37. 258 14. 692 19. 642 1. 00 31. 81 atoms 3222 N LEU 419 36. 308 13. 029 20. 798 1. 00 31. 21 atoms 3223 CA LEU 419 36. 435 12. 022 19. 760 1. 00 32. 67 atoms 3224 CB LEU 419 35. 841 10. 713 20. 280 1. 00 35. 25 atoms 3225 CG LEU 419 35. 880 9. 530 19. 321 1. 00 37. 83 atoms 3226 CD1 LEU 419 37. 294 8. 972 19. 278 1. 00 38. 55 atoms 3227 CD2 LEU 419 34. 865 8. 484 19. 767 1. 00 38. 91 atoms 3228 C LEU 419 35. 717 12. 443 18. 486 1. 00 32. 51 atoms 3229 O LEU 419 36. 309 12. 398 17. 406 1. 00 32. 38 atoms 3230 N TRP 420 34. 473 12. 874 18. 613 1. 00 32. 70 atoms 3231 CA TRP 420 33. 659 13. 278 17. 484 1. 00 33. 11 atoms 3232 CB TRP 420 32. 192 13. 369 17. 881 1. 00 31. 10 atoms 3233 CG TRP 420 31. 902 14. 213 19. 079 1. 00 30. 75 atoms 3234 CD2 TRP 420 31. 504 15. 585 19. 128 1. 00 28. 76 atoms 3235 CE2 TRP 420 31. 335 15. 922 20. 488 1. 00 29. 63 atoms 3236 CE3 TRP 420 31. 270 16. 565 18. 177 1. 00 30. 63 atoms 3237 CD1 TRP 420 31. 971 13. 778 20. 380 1. 00 29. 23 atoms 3238 NE1 TRP 420 31. 628 14. 798 21. 220 1. 00 28. 67 atoms 3239 CZ2 TRP 420 30. 942 17. 187 20. 922 1. 00 28. 35 atoms 3240 CZ3 TRP 420 30. 875 17. 832 18. 587 1. 00 30. 87 atoms 3241 CH2 TRP 420 30. 713 18. 125 19. 951 1. 00 30. 22 atoms 3242 C TRP 420 34. 095 14. 570 16. 820 1. 00 34. 03 atom 3243 O TRP 420 34. 089 14. 625 15. 579 1. 00 35. 28 atoms 3244 N ALA 421 34. 498 15. 589 17. 566 1. 00 35. 05 atom 3245 CA ALA 421 34. 930 16. 830 16. 912 1. 00 35. 21 atoms 3246 CB ALA 421 35. 090 17. 983 17. 886 1. 00 32. 54 atoms 3247 C ALA 421 36. 233 16. 608 16. 140 1. 00 35. 06 atom 3248 O ALA 421 36. 406 17. 135 15. 054 1. 00 34. 62 atoms 3249 N ARG 422 37. 178 15. 880 16. 703 1. 00 35. 88 atoms 3250 CA ARG 422 38. 463 15. 622 16. 082 1. 00 36. 45 atoms 3251 CB ARG 422 39. 448 14. 916 17. 030 1. 00 33. 76 atoms 3252 CG ARG 422 39. 794 15. 760 18. 248 1. 00 30. 93 atoms 3253 CD ARG 422 40. 566 14. 972 19. 280 1. 00 30. 09 atom 3254 NE ARG 422 41. 882 14. 639 18. 789 1. 00 30. 91 atoms 3255 CZ ARG 422 42. 717 13. 716 19. 221 1. 00 30. 55 atoms 3256 NH1 ARG 422 42. 442 12. 902 20. 222 1. 00 29. 68 atoms 3257 NH2 ARG 422 43. 892 13. 605 18. 614 1. 00 31. 62 atoms 3258 C ARG 422 38. 327 14. 771 14. 828 1. 00 37. 67 atoms 3259 O ARG 422 38. 895 15. 124 13. 788 1. 00 38. 51 atoms 3260 N MET 423 37. 581 13. 678 14. 903 1. 00 37. 75 atoms 3261 CA MET 423 37. 513 12. 798 13. 735 1. 00 38. 53 atoms 3262 CB MET 423 37. 260 11. 347 14. 172 1. 00 36. 22 atoms 3263 CG MET 423 38. 430 10. 790 14. 975 1. 00 36. 01 atom 3264 SD MET 423 38. 431 8. 992 15. 184 1. 00 35. 56 atoms 3265 CE MET 423 37. 009 8. 720 16. 189 1. 00 38. 15 atoms 3266 C MET 423 36. 535 13. 283 12. 688 1. 00 38. 86 atoms 3267 O MET 423 36. 860 13. 258 11. 500 1. 00 39. 81 atoms 3268 N ILE 424 35. 359 13. 749 13. 082 1. 00 38. 97 atoms 3269 CA ILE 424 34. 368 14. 174 12. 106 1. 00 37. 75 atoms 3270 CB ILE 424 32. 957 13. 779 12. 601 1. 00 38. 49 atoms 3271 CG2 ILE 424 31. 894 14. 200 11. 588 1. 00 35. 83 atoms 3272 CG1 ILE 424 32. 917 12. 261 12. 856 1. 00 36. 65 atoms 3273 CD1 ILE 424 31. 754 11. 812 13. 706 1. 00 34. 42 atoms 3274 C ILE 424 34. 402 15. 646 11. 758 1. 00 37. 30 atoms 3275 O ILE 424 34. 645 15. 977 10. 596 1. 00 36. 87 atoms 3276 N LEU 425 34. 121 16. 515 12. 721 1. 00 36. 79 atoms 3277 CA LEU 425 34. 040 17. 955 12. 450 1. 00 36. 40 atoms 3278 CB LEU 425 33. 674 18. 670 13. 747 1. 00 35. 13 atoms 3279 CG LEU 425 32. 249 19. 072 14. 071 1. 00 34. 93 atoms 3280 CD1 LEU 425 31. 172 18. 312 13. 307 1. 00 33. 38 atoms 3281 CD2 LEU 425 31. 998 18. 932 15. 575 1. 00 33. 84 atoms 3282 C LEU 425 35. 291 18. 517 11. 796 1. 00 36. 29 atoms 3283 O LEU 425 35. 236 19. 101 10. 702 1. 00 35. 35 atoms 3284 N MET 426 36. 456 18. 340 12. 414 1. 00 36. 26 atoms 3285 CA MET 426 37. 706 18. 845 11. 858 1. 00 37. 08 atom 3286 CB MET 426 38. 899 18. 531 12. 751 1. 00 33. 13 atoms 3287 CG MET 426 38. 912 19. 257 14. 089 1. 00 30. 96 atoms 3288 SD MET 426 40. 348 18. 860 15. 103 1. 00 29. 76 atoms 3289 CE MET 426 39. 834 19. 429 16. 736 1. 00 29. 24 atoms 3290 C MET 426 37. 931 18. 312 10. 442 1. 00 39. 02 atom 3291 O MET 426 38. 091 19. 052 9. 465 1. 00 38. 37 atoms 3292 N THR 427 37. 895 16. 985 10. 289 1. 00 39. 87 atoms 3293 CA THR 427 38. 102 16. 354 8. 995 1. 00 40. 76 atoms 3294 CB THR 427 37. 949 14. 827 9. 106 1. 00 40. 03 atom 3295 OG1 THR 427 38. 813 14. 360 10. 169 1. 00 35. 72 atoms 3296 CG2 THR 427 38. 312 14. 144 7. 796 1. 00 36. 09 atom 3297 C THR 427 37. 167 16. 924 7. 939 1. 00 41. 70 atoms 3298 O THR 427 37. 639 17. 468 6. 946 1. 00 41. 10 atoms 3299 N HIS 428 35. 864 16. 853 8. 151 1. 00 42. 78 atoms 3300 CA HIS 428 34. 870 17. 365 7. 214 1. 00 43. 45 atoms 3301 CB HIS 428 33. 467 17. 138 7. 784 1. 00 43. 08 atom 3302 CG HIS 428 32. 342 17. 689 6. 971 1. 00 45. 40 atoms 3303 CD2 HIS 428 31. 546 18. 774 7. 156 1. 00 45. 59 atoms 3304 ND1 HIS 428 31. 895 17. 102 5. 808 1. 00 46. 11 atom 3305 CE1 HIS 428 30. 892 17. 784 5. 307 1. 00 45. 04 atom 3306 NE2 HIS 428 30. 653 18. 803 6. 113 1. 00 45. 57 atoms 3307 C HIS 428 35. 080 18. 826 6. 844 1. 00 44. 01 atom 3308 O HIS 428 35. 277 19. 161 5. 672 1. 00 43. 70 atoms 3309 N PHE 429 35. 085 19. 734 7. 823 1. 00 44. 14 atoms 3310 CA PHE 429 35. 250 21. 155 7. 531 1. 00 43. 88 atoms 3311 CB PHE 429 34. 887 22. 034 8. 742 1. 00 40. 24 atoms 3312 CG PHE 429 33. 392 21. 939 8. 984 1. 00 37. 92 atoms 3313 CD1 PHE 429 32. 882 21. 124 9. 975 1. 00 35. 82 atoms 3314 CD2 PHE 429 32. 520 22. 662 8. 192 1. 00 36. 00 atom 3315 CE1 PHE 429 31. 524 21. 042 10. 171 1. 00 37. 18 atoms 3316 CE2 PHE 429 31. 157 22. 588 8. 386 1. 00 36. 86 atoms 3317 CZ PHE 429 30. 653 21. 771 9. 380 1. 00 37. 75 atoms 3318 C PHE 429 36. 606 21. 533 6. 966 1. 00 44. 53 atoms 3319 O PHE 429 36. 663 22. 328 6. 022 1. 00 42. 96 atoms 3320 N PHE 430 37. 703 20. 961 7. 473 1. 00 44. 83 atoms 3321 CA PHE 430 39. 013 21. 303 6. 921 1. 00 45. 27 atoms 3322 CB PHE 430 40. 184 20. 739 7. 724 1. 00 42. 91 atoms 3323 CG PHE 430 40. 672 21. 791 8. 696 1. 00 44. 22 atoms 3324 CD1 PHE 430 40. 113 21. 932 9. 958 1. 00 42. 81 atoms 3325 CD2 PHE 430 41. 682 22. 663 8. 308 1. 00 43. 15 atoms 3326 CE1 PHE 430 40. 572 22. 909 10. 816 1. 00 41. 81 atoms 3327 CE2 PHE 430 42. 140 23. 639 9. 166 1. 00 42. 09 atom 3328 CZ PHE 430 41. 579 23. 758 10. 424 1. 00 41. 79 atoms 3329 C PHE 430 39. 048 20. 868 5. 466 1. 00 47. 01 atom 3330 O PHE 430 39. 489 21. 593 4. 576 1. 00 47. 48 atoms 3331 N SER 431 38. 521 19. 680 5. 192 1. 00 47. 80 atoms 3332 CA SER 431 38. 404 19. 179 3. 838 1. 00 49. 28 atoms 3333 CB SER 431 37. 581 17. 898 3. 880 1. 00 48. 60 atoms 3334 OG SER 431 37. 328 17. 436 2. 575 1. 00 50. 52 atoms 3335 C SER 431 37. 735 20. 222 2. 946 1. 00 50. 44 atoms 3336 O SER 431 38. 273 20. 642 1. 927 1. 00 49. 92 atoms 3337 N ILE 432 36. 550 20. 679 3. 344 1. 00 51. 96 atoms 3338 CA ILE 432 35. 811 21. 722 2. 647 1. 00 53. 03 atom 3339 CB ILE 432 34. 455 22. 006 3. 308 1. 00 54. 28 atoms 3340 CG2 ILE 432 33. 912 23. 371 2. 879 1. 00 52. 78 atoms 3341 CG1 ILE 432 33. 401 20. 946 2. 984 1. 00 54. 86 atoms 3342 CD1 ILE 432 33. 775 19. 505 3. 168 1. 00 57. 73 atoms 3343 C ILE 432 36. 647 22. 997 2. 576 1. 00 53. 85 atoms 3344 O ILE 432 36. 679 23. 664 1. 537 1. 00 54. 19 atoms 3345 N LEU 433 37. 339 23. 354 3. 648 1. 00 54. 39 atoms 3346 CA LEU 433 38. 207 24. 520 3. 654 1. 00 55. 73 atoms 3347 CB LEU 433 38. 786 24. 784 5. 047 1. 00 54. 14 atoms 3348 CG LEU 433 37. 766 25. 206 6. 112 1. 00 53. 57 atoms 3349 CD1 LEU 433 38. 372 25. 274 7. 506 1. 00 53. 54 atoms 3350 CD2 LEU 433 37. 178 26. 554 5. 728 1. 00 52. 32 atoms 3351 C LEU 433 39. 301 24. 378 2. 599 1. 00 56. 60 atoms 3352 O LEU 433 39. 573 25. 335 1. 865 1. 00 56. 68 atoms 3353 N LEU 434 39. 949 23. 230 2. 486 1. 00 57. 17 atoms 3354 CA LEU 434 41. 003 23. 027 1. 504 1. 00 58. 82 atoms 3355 CB LEU 434 41. 648 21. 647 1. 643 1. 00 58. 32 atoms 3356 CG LEU 434 42. 701 21. 422 2. 720 1. 00 57. 32 atoms 3357 CD1 LEU 434 42. 866 19. 936 2. 987 1. 00 56. 86 atoms 3358 CD2 LEU 434 44. 012 22. 054 2. 289 1. 00 56. 38 atoms 3359 C LEU 434 40. 487 23. 193 0. 078 1. 00 60. 29 atoms 3360 O LEU 434 41. 061 23. 925 -0. 732 1. 00 60. 68 atoms 3361 N ALA 435 39. 392 22. 546 -0. 283 1. 00 61. 41 atoms 3362 CA ALA 435 38. 829 22. 582 -1. 618 1. 00 63. 40 atoms 3363 CB ALA 435 37. 694 21. 565 -1. 723 1. 00 61. 52 atoms 3364 C ALA 435 38. 281 23. 917 -2. 095 1. 00 64. 58 atoms 3365 O ALA 435 38. 433 24. 245 -3. 276 1. 00 65. 18 atoms 3366 N GLN 436 37. 671 24. 691 -1. 204 1. 00 65. 33 atoms 3367 CA GLN 436 37. 128 25. 995 -1. 566 1. 00 66. 41 atoms 3368 CB GLN 436 35. 883 26. 287 -0. 732 1. 00 67. 38 atoms 3369 CG GLN 436 34. 683 25. 436 -1. 099 1. 00 68. 91 atoms 3370 CD GLN 436 33. 494 25. 640 -0. 188 1. 00 70. 95 atoms 3371 OE1 GLN 436 33. 546 26. 472 0. 719 1. 00 72. 09 atom 3372 NE2 GLN 436 32. 424 24. 884 -0. 425 1. 00 71. 77 atoms 3373 C GLN 436 38. 206 27. 053 -1. 403 1. 00 67. 36 atoms 3374 O GLN 436 37. 999 28. 262 -1. 453 1. 00 67. 20 atoms 3375 N GLU 437 39. 428 26. 612 -1. 127 1. 00 68. 17 atoms 3376 CA GLU 437 40. 637 27. 367 -0. 936 1. 00 69. 15 atoms 3377 CB GLU 437 41. 128 27. 958 -2. 263 1. 00 70. 70 atoms 3378 CG GLU 437 41. 976 27. 009 -3. 087 1. 00 73. 56 atoms 3379 CD GLU 437 42. 477 27. 573 -4. 395 1. 00 74. 34 atoms 3380 OE1 GLU 437 42. 210 28. 748 -4. 728 1. 00 75. 78 atoms 3381 OE2 GLU 437 43. 165 26. 835 -5. 134 1. 00 74. 99 atoms 3382 C GLU 437 40. 474 28. 486 0. 081 1. 00 69. 14 atoms 3383 O GLU 437 41. 096 29. 545 -0. 017 1. 00 69. 69 atoms 3384 N GLN 438 39. 650 28. 275 1. 098 1. 00 68. 54 atoms 3385 CA GLN 438 39. 347 29. 281 2. 091 1. 00 67. 99 atoms 3386 CB GLN 438 37. 830 29. 400 2. 265 1. 00 68. 91 atoms 3387 CG GLN 438 36. 922 29. 732 1. 117 1. 00 70. 66 atoms 3388 CD GLN 438 35. 453 29. 571 1. 474 1. 00 72. 42 atoms 3389 OE1 GLN 438 35. 094 28. 874 2. 431 1. 00 73. 52 atoms 3390 NE2 GLN 438 34. 564 30. 207 0. 715 1. 00 72. 17 atoms 3391 C GLN 438 39. 958 29. 012 3. 461 1. 00 67. 01 atom 3392 O GLN 438 39. 226 29. 142 4. 458 1. 00 66. 87 atoms 3393 N LEU 439 41. 243 28. 717 3. 597 1. 00 66. 14 atoms 3394 CA LEU 439 41. 807 28. 449 4. 917 1. 00 65. 32 atoms 3395 CB LEU 439 43. 107 27. 662 4. 813 1. 00 62. 95 atoms 3396 CG LEU 439 42. 975 26. 138 4. 685 1. 00 61. 85 atoms 3397 CD1 LEU 439 44. 358 25. 546 4. 428 1. 00 60. 25 atoms 3398 CD2 LEU 439 42. 330 25. 519 5. 915 1. 00 59. 52 atoms 3399 C LEU 439 42. 027 29. 693 5. 766 1. 00 65. 59 atoms 3400 O LEU 439 41. 977 29. 644 6. 998 1. 00 65. 69 atoms 3401 N GLU 440 42. 252 30. 828 5. 111 1. 00 65. 31 atom 3402 CA GLU 440 42. 469 32. 081 5. 819 1. 00 65. 20 atoms 3403 CB GLU 440 43. 654 32. 852 5. 244 1. 00 67. 57 atoms 3404 CG GLU 440 44. 232 32. 364 3. 935 1. 00 69. 96 atoms 3405 CD GLU 440 45. 582 31. 688 4. 085 1. 00 70. 77 atoms 3406 OE1 GLU 440 46. 426 32. 260 4. 813 1. 00 71. 48 atoms 3407 OE2 GLU 440 45. 790 30. 616 3. 478 1. 00 70. 59 atoms 3408 C GLU 440 41. 237 32. 973 5. 860 1. 00 64. 03 atom 3409 O GLU 440 41. 388 34. 163 6. 132 1. 00 63. 63 atoms 3410 N LYS 441 40. 052 32. 416 5. 660 1. 00 63. 26 atoms 3411 CA LYS 441 38. 830 33. 218 5. 674 1. 00 62. 52 atoms 3412 CB LYS 441 37. 826 32. 634 4. 686 1. 00 63. 67 atoms 3413 CG LYS 441 36. 709 33. 547 4. 229 1. 00 65. 10 atoms 3414 CD LYS 441 35. 409 33. 298 4. 969 1. 00 67. 31 atom 3415 CE LYS 441 34. 225 33. 991 4. 303 1. 00 68. 16 atoms 3416 NZ LYS 441 32. 956 33. 729 5. 046 1. 00 68. 70 atoms 3417 C LYS 441 38. 270 33. 335 7. 085 1. 00 61. 57 atoms 3418 O LYS 441 37. 713 32. 400 7. 653 1. 00 61. 71 atoms 3419 N ALA 442 38. 451 34. 509 7. 682 1. 00 60. 16 atoms 3420 CA ALA 442 37. 974 34. 760 9. 035 1. 00 58. 38 atoms 3421 CB ALA 442 38. 213 36. 210 9. 410 1. 00 56. 45 atoms 3422 C ALA 442 36. 490 34. 427 9. 137 1. 00 57. 62 atoms 3423 O ALA 442 35. 686 34. 930 8. 346 1. 00 57. 44 atoms 3424 N LEU 443 36. 129 33. 601 10. 112 1. 00 56. 15 atoms 3425 CA LEU 443 34. 733 33. 248 10. 302 1. 00 55. 01 atom 3426 CB LEU 443 34. 484 31. 747 10. 221 1. 00 55. 68 atoms 3427 CG LEU 443 34. 082 31. 115 8. 891 1. 00 57. 40 atoms 3428 CD1 LEU 443 35. 253 30. 980 7. 936 1. 00 57. 65 atoms 3429 CD2 LEU 443 33. 472 29. 737 9. 118 1. 00 56. 89 atoms 3430 C LEU 443 34. 235 33. 761 11. 654 1. 00 54. 60 atoms 3431 O LEU 443 34. 939 33. 701 12. 666 1. 00 54. 65 atoms 3432 N ASP 444 33. 001 34. 268 11. 664 1. 00 53. 18 atoms 3433 CA ASP 444 32. 432 34. 729 12. 927 1. 00 51. 85 atoms 3434 CB ASP 444 31. 300 35. 731 12. 750 1. 00 54. 15 atoms 3435 CG ASP 444 31. 845 37. 076 12. 287 1. 00 56. 66 atoms 3436 OD1 ASP 444 31. 474 38. 115 12. 872 1. 00 56. 77 atoms 3437 OD2 ASP 444 32. 664 37. 098 11. 339 1. 00 57. 61 atom 3438 C ASP 444 32. 011 33. 495 13. 730 1. 00 50. 41 atom 3439 O ASP 444 31. 420 32. 529 13. 244 1. 00 49. 80 atoms 3440 N CYS 445 32. 385 33. 555 15. 007 1. 00 48. 10 atoms 3441 CA CYS 445 32. 105 32. 440 15. 895 1. 00 46. 01 atom 3442 CB CYS 445 33. 353 31. 553 15. 947 1. 00 45. 19 atoms 3443 SG CYS 445 33. 151 30. 116 17. 018 1. 00 44. 60 atoms 3444 C CYS 445 31. 677 32. 913 17. 268 1. 00 45. 03 atom 3445 O CYS 445 32. 441 33. 531 18. 011 1. 00 44. 71 atoms 3446 N GLN 446 30. 430 32. 615 17. 613 1. 00 43. 85 atoms 3447 CA GLN 446 29. 886 33. 014 18. 899 1. 00 43. 53 atoms 3448 CB GLN 446 28. 410 33. 429 18. 744 1. 00 45. 01 atom 3449 CG GLN 446 27. 663 33. 612 20. 050 1. 00 44. 42 atoms 3450 CD GLN 446 27. 856 34. 950 20. 731 1. 00 44. 74 atoms 3451 OE1 GLN 446 27. 635 35. 107 21. 936 1. 00 43. 39 atoms 3452 NE2 GLN 446 28. 255 35. 979 19. 988 1. 00 45. 27 atoms 3453 C GLN 446 30. 012 31. 892 19. 910 1. 00 42. 67 atoms 3454 O GLN 446 29. 327 30. 859 19. 825 1. 00 43. 84 atoms 3455 N ILE 447 30. 898 32. 024 20. 886 1. 00 41. 53 atoms 3456 CA ILE 447 31. 032 31. 021 21. 929 1. 00 40. 30 atoms 3457 CB ILE 447 32. 051 29. 891 21. 713 1. 00 40. 47 atoms 3458 CG2 ILE 447 31. 552 28. 861 20. 705 1. 00 39. 77 atoms 3459 CG1 ILE 447 33. 440 30. 427 21. 389 1. 00 39. 57 atoms 3460 CD1 ILE 447 33. 685 30. 920 19. 996 1. 00 40. 48 atoms 3461 C ILE 447 31. 408 31. 727 23. 223 1. 00 39. 41 atoms 3462 O ILE 447 31. 999 32. 798 23. 212 1. 00 39. 16 atoms 3463 N TYR 448 31. 073 31. 137 24. 359 1. 00 39. 67 atoms 3464 CA TYR 448 31. 466 31. 676 25. 653 1. 00 39. 46 atoms 3465 CB TYR 448 33. 007 31. 643 25. 737 1. 00 38. 64 atoms 3466 CG TYR 448 33. 647 30. 295 25. 515 1. 00 38. 93 atoms 3467 CD1 TYR 448 34. 700 30. 155 24. 619 1. 00 39. 13 atoms 3468 CE1 TYR 448 35. 313 28. 935 24. 400 1. 00 38. 68 atoms 3469 CD2 TYR 448 33. 212 29. 157 26. 183 1. 00 38. 79 atoms 3470 CE2 TYR 448 33. 805 27. 926 25. 966 1. 00 38. 91 atoms 3471 CZ TYR 448 34. 859 27. 822 25. 079 1. 00 39. 40 atoms 3472 OH TYR 448 35. 460 26. 601 24. 858 1. 00 39. 03 atom 3473 C TYR 448 30. 974 33. 086 25. 922 1. 00 39. 40 atoms 3474 O TYR 448 31. 612 33. 799 26. 696 1. 00 40. 07 atom 3475 N GLY 449 29. 915 33. 592 25. 325 1. 00 39. 80 atoms 3476 CA GLY 449 29. 375 34. 913 25. 522 1. 00 38. 64 atoms 3477 C GLY 449 29. 961 35. 996 24. 628 1. 00 38. 76 atoms 3478 O GLY 449 29. 835 37. 194 24. 924 1. 00 38. 25 atoms 3479 N ALA 450 30. 620 35. 624 23. 533 1. 00 37. 18 atoms 3480 CA ALA 450 31. 200 36. 663 22. 683 1. 00 36. 32 atoms 3481 CB ALA 450 32. 585 37. 062 23. 178 1. 00 33. 02 atom 3482 C ALA 450 31. 256 36. 202 21. 240 1. 00 35. 61 atoms 3483 O ALA 450 31. 083 35. 018 20. 954 1. 00 35. 49 atoms 3484 N CYS 451 31. 467 37. 162 20. 358 1. 00 35. 26 atoms 3485 CA CYS 451 31. 528 36. 843 18. 934 1. 00 35. 47 atoms 3486 CB CYS 451 30. 456 37. 655 18. 206 1. 00 34. 25 atoms 3487 SG CYS 451 30. 741 37. 592 16. 427 1. 00 37. 71 atoms 3488 C CYS 451 32. 921 37. 117 18. 389 1. 00 34. 76 atoms 3489 O CYS 451 33. 288 38. 268 18. 157 1. 00 36. 59 atoms 3490 N TYR 452 33. 692 36. 067 18. 185 1. 00 33. 75 atoms 3491 CA TYR 452 35. 056 36. 168 17. 720 1. 00 32. 90 atoms 3492 CB TYR 452 35. 852 34. 982 18. 285 1. 00 31. 76 atoms 3493 CG TYR 452 35. 885 34. 950 19. 800 1. 00 28. 83 atoms 3494 CD1 TYR 452 34. 908 34. 268 20. 507 1. 00 28. 43 atoms 3495 CE1 TYR 452 34. 930 34. 222 21. 886 1. 00 28. 50 atoms 3496 CD2 TYR 452 36. 894 35. 581 20. 504 1. 00 27. 11 atoms 3497 CE2 TYR 452 36. 920 35. 535 21. 885 1. 00 27. 18 atoms 3498 CZ TYR 452 35. 941 34. 867 22. 576 1. 00 27. 44 atoms 3499 OH TYR 452 35. 932 34. 813 23. 947 1. 00 25. 41 atoms 3500 C TYR 452 35. 150 36. 126 16. 207 1. 00 33. 41 atom 3501 O TYR 452 34. 240 35. 660 15. 538 1. 00 33. 73 atoms 3502 N SER 453 36. 255 36. 607 15. 680 1. 00 34. 36 atoms 3503 CA SER 453 36. 549 36. 586 14. 251 1. 00 35. 61 atoms 3504 CB SER 453 36. 925 37. 986 13. 786 1. 00 35. 91 atoms 3505 OG SER 453 37. 250 38. 064 12. 411 1. 00 36. 63 atoms 3506 C SER 453 37. 701 35. 583 14. 110 1. 00 36. 38 atoms 3507 O SER 453 38. 862 35. 929 14. 338 1. 00 35. 69 atoms 3508 N ILE 454 37. 348 34. 322 13. 887 1. 00 37. 63 atoms 3509 CA ILE 454 38. 331 33. 259 13. 838 1. 00 39. 19 atoms 3510 CB ILE 454 37. 801 31. 916 14. 403 1. 00 37. 03 atom 3511 CG2 ILE 454 38. 991 30. 979 14. 567 1. 00 35. 02 atom 3512 CG1 ILE 454 37. 017 32. 115 15. 690 1. 00 36. 38 atoms 3513 CD1 ILE 454 37. 851 32. 260 16. 947 1. 00 37. 92 atoms 3514 C ILE 454 38. 851 32. 899 12. 451 1. 00 40. 53 atoms 3515 O ILE 454 38. 103 32. 582 11. 538 1. 00 41. 20 atoms 3516 N GLU 455 40. 160 32. 861 12. 366 1. 00 41. 69 atoms 3517 CA GLU 455 40. 881 32. 416 11. 193 1. 00 44. 47 atoms 3518 CB GLU 455 42. 188 33. 187 11. 015 1. 00 48. 56 atoms 3519 CG GLU 455 42. 150 34. 392 10. 086 1. 00 52. 12 atoms 3520 CD GLU 455 43. 543 34. 611 9. 521 1. 00 56. 68 atoms 3521 OE1 GLU 455 44. 388 35. 188 10. 244 1. 00 58. 40 atoms 3522 OE2 GLU 455 43. 782 34. 166 8. 375 1. 00 60. 39 atoms 3523 C GLU 455 41. 199 30. 936 11. 444 1. 00 44. 83 atoms 3524 O GLU 455 42. 018 30. 583 12. 301 1. 00 44. 62 atoms 3525 N PRO 456 40. 581 30. 058 10. 673 1. 00 44. 97 atoms 3526 CD PRO 456 39. 603 30. 411 9. 606 1. 00 45. 05 atom 3527 CA PRO 456 40. 764 28. 624 10. 774 1. 00 44. 55 atoms 3528 CB PRO 456 40. 160 28. 098 9. 480 1. 00 45. 22 atoms 3529 CG PRO 456 39. 053 29. 066 9. 194 1. 00 45. 06 Atomic 3530 C PRO 456 42. 189 28. 185 10. 983 1. 00 44. 28 atoms 3531 O PRO 456 42. 397 27. 354 11. 898 1. 00 44. 46 atoms 3532 N LEU 457 43. 188 28. 741 10. 304 1. 00 43. 11 atoms 3533 CA LEU 457 44. 572 28. 349 10. 543 1. 00 43. 63 atoms 3534 CB LEU 457 45. 551 29. 021 9. 585 1. 00 44. 67 atoms 3535 CG LEU 457 45. 479 28. 781 8. 078 1. 00 47. 11 atom 3536 CD1 LEU 457 46. 808 29. 205 7. 444 1. 00 46. 61 atom 3537 CD2 LEU 457 45. 163 27. 350 7. 676 1. 00 43. 88 atoms 3538 C LEU 457 45. 024 28. 584 11. 982 1. 00 43. 53 atoms 3539 O LEU 457 46. 041 28. 003 12. 380 1. 00 43. 75 atoms 3540 N ASP 458 44. 353 29. 408 12. 783 1. 00 42. 96 atoms 3541 CA ASP 458 44. 663 29. 687 14. 167 1. 00 42. 35 atoms 3542 CB ASP 458 44. 172 31. 069 14. 602 1. 00 44. 51 atom 3543 CG ASP 458 44. 890 32. 253 14. 012 1. 00 46. 77 atoms 3544 OD1 ASP 458 44. 274 33. 342 14. 026 1. 00 44. 23 atoms 3545 OD2 ASP 458 46. 041 32. 104 13. 540 1. 00 50. 02 atom 3546 C ASP 458 44. 050 28. 702 15. 170 1. 00 40. 56 atoms 3547 O ASP 458 44. 234 28. 828 16. 382 1. 00 39. 59 atoms 3548 N LEU 459 43. 391 27. 656 14. 682 1. 00 39. 30 atoms 3549 CA LEU 459 42. 796 26. 659 15. 562 1. 00 38. 56 atoms 3550 CB LEU 459 41. 941 25. 671 14. 768 1. 00 37. 86 atoms 3551 CG LEU 459 40. 505 26. 131 14. 468 1. 00 36. 40 atoms 3552 CD1 LEU 459 39. 827 25. 198 13. 490 1. 00 33. 38 atoms 3553 CD2 LEU 459 39. 722 26. 195 15. 770 1. 00 37. 56 atoms 3554 C LEU 459 43. 795 25. 999 16. 489 1. 00 37. 68 atoms 3555 O LEU 459 43. 568 25. 891 17. 699 1. 00 38. 33 atoms 3556 N PRO 460 44. 935 25. 539 16. 006 1. 00 37. 27 atoms 3557 CD PRO 460 45. 316 25. 525 14. 567 1. 00 36. 60 atoms 3558 CA PRO 460 45. 941 24. 882 16. 839 1. 00 36. 11 atoms 3559 CB PRO 460 47. 120 24. 723 15. 892 1. 00 36. 11 atom 3560 CG PRO 460 46. 477 24. 562 14. 547 1. 00 36. 19 atoms 3561 C PRO 460 46. 260 25. 678 18. 094 1. 00 35. 64 atoms 3562 O PRO 460 46. 056 25. 226 19. 231 1. 00 34. 15 atoms 3563 N GLN 461 46. 664 26. 930 17. 921 1. 00 34. 71 atoms 3564 CA GLN 461 46. 981 27. 870 18. 981 1. 00 34. 49 atoms 3565 CB GLN 461 47. 385 29. 234 18. 411 1. 00 37. 19 atoms 3566 CG GLN 461 48. 678 29. 289 17. 644 1. 00 42. 71 atoms 3567 CD GLN 461 48. 711 28. 716 16. 252 1. 00 46. 47 atoms 3568 OE1 GLN 461 47. 741 28. 233 15. 661 1. 00 47. 17 atoms 3569 NE2 GLN 461 49. 918 28. 771 15. 673 1. 00 50. 40 atoms 3570 C GLN 461 45. 805 28. 064 19. 931 1. 00 33. 26 atoms 3571 O GLN 461 45. 987 28. 078 21. 139 1. 00 31. 57 atoms 3572 N ILE 462 44. 600 28. 207 19. 375 1. 00 33. 31 atoms 3573 CA ILE 462 43. 408 28. 391 20. 184 1. 00 33. 76 atoms 3574 CB ILE 462 42. 144 28. 634 19. 334 1. 00 32. 59 atoms 3575 CG2 ILE 462 40. 905 28. 713 20. 233 1. 00 29. 28 atoms 3576 CG1 ILE 462 42. 289 29. 915 18. 508 1. 00 31. 43 atoms 3577 CD1 ILE 462 41. 063 30. 303 17. 701 1. 00 29. 76 atoms 3578 C ILE 462 43. 176 27. 188 21. 096 1. 00 34. 55 atoms 3579 O ILE 462 42. 887 27. 342 22. 277 1. 00 34. 73 atoms 3580 N ILE 463 43. 286 25. 992 20. 540 1. 00 35. 09 atom 3581 CA ILE 463 43. 073 24. 740 21. 240 1. 00 35. 34 atoms 3582 CB ILE 463 43. 069 23. 538 20. 273 1. 00 35. 06 Atom 3583 CG2 ILE 463 42. 964 22. 227 21. 031 1. 00 33. 17 atoms 3584 CG1 ILE 463 41. 877 23. 675 19. 312 1. 00 36. 76 atoms 3585 CD1 ILE 463 41. 867 22. 660 18. 197 1. 00 39. 18 atoms 3586 C ILE 463 44. 113 24. 526 22. 319 1. 00 36. 01 atom 3587 O ILE 463 43. 777 24. 231 23. 467 1. 00 35. 95 atoms 3588 N GLU 464 45. 381 24. 702 21. 949 1. 00 37. 00 atom 3589 CA GLU 464 46. 456 24. 568 22. 925 1. 00 37. 43 atoms 3590 CB GLU 464 47. 806 24. 917 22. 317 1. 00 38. 60 atoms 3591 CG GLU 464 48. 920 24. 864 23. 360 1. 00 41. 71 atoms 3592 CD GLU 464 50. 299 24. 996 22. 750 1. 00 44. 48 atoms 3593 OE1 GLU 464 51. 268 24. 581 23. 420 1. 00 45. 93 atoms 3594 OE2 GLU 464 50. 393 25. 530 21. 625 1. 00 48. 22 atoms 3595 C GLU 464 46. 147 25. 458 24. 129 1. 00 37. 41 atoms 3596 O GLU 464 46. 145 24. 962 25. 256 1. 00 37. 72 atoms 3597 N ARG 465 45. 850 26. 742 23. 922 1. 00 36. 60 atoms 3598 CA ARG 465 45. 519 27. 615 25. 039 1. 00 35. 75 atoms 3599 CB ARG 465 45. 218 29. 042 24. 539 1. 00 35. 82 atoms 3600 CG ARG 465 44. 903 30. 014 25. 661 1. 00 36. 22 atoms 3601 CD ARG 465 44. 797 31. 472 25. 199 1. 00 38. 45 atoms 3602 NE ARG 465 43. 394 31. 752 24. 826 1. 00 40. 96 atoms 3603 CZ ARG 465 43. 053 31. 978 23. 572 1. 00 42. 01 atom 3604 NH1 ARG 465 43. 993 31. 996 22. 637 1. 00 43. 70 atoms 3605 NH2 ARG 465 41. 798 32. 204 23. 243 1. 00 45. 58 atoms 3606 C ARG 465 44. 336 27. 123 25. 872 1. 00 35. 17 atoms 3607 O ARG 465 44. 441 26. 992 27. 101 1. 00 33. 72 atoms 3608 N LEU 466 43. 187 26. 925 25. 223 1. 00 34. 52 atoms 3609 CA LEU 466 41. 968 26. 550 25. 926 1. 00 35. 25 atoms 3610 CB LEU 466 40. 750 26. 496 25. 000 1. 00 35. 10 atoms 3611 CG LEU 466 39. 795 27. 671 24. 914 1. 00 37. 89 atoms 3612 CD1 LEU 466 40. 459 28. 994 25. 243 1. 00 38. 07 atom 3613 CD2 LEU 466 39. 173 27. 701 23. 519 1. 00 37. 66 atoms 3614 C LEU 466 41. 993 25. 184 26. 603 1. 00 34. 72 atoms 3615 O LEU 466 41. 528 25. 044 27. 729 1. 00 34. 79 atoms 3616 N HIS 467 42. 463 24. 179 25. 874 1. 00 33. 92 atoms 3617 CA HIS 467 42. 414 22. 811 26. 347 1. 00 33. 47 atoms 3618 CB HIS 467 41. 734 21. 976 25. 247 1. 00 29. 00 atom 3619 CG HIS 467 40. 371 22. 489 24. 880 1. 00 28. 00 atom 3620 CD2 HIS 467 39. 942 23. 186 23. 800 1. 00 26. 55 atoms 3621 ND1 HIS 467 39. 276 22. 271 25. 690 1. 00 25. 73 atoms 3622 CE1 HIS 467 38. 219 22. 825 25. 137 1. 00 27. 97 atoms 3623 NE2 HIS 467 38. 592 23. 383 24. 000 1. 00 29. 28 atoms 3624 C HIS 467 43. 760 22. 202 26. 691 1. 00 34. 43 atoms 3625 O HIS 467 43. 743 21. 148 27. 339 1. 00 35. 64 atoms 3626 N GLY 468 44. 878 22. 756 26. 249 1. 00 34. 10 atoms 3627 CA GLY 468 46. 182 22. 173 26. 545 1. 00 34. 44 atoms 3628 C GLY 468 46. 705 21. 345 25. 387 1. 00 35. 99 atoms 3629 O GLY 468 45. 930 20. 992 24. 488 1. 00 36. 47 atoms 3630 N LEU 469 47. 978 20. 973 25. 424 1. 00 36. 54 atoms 3631 CA LEU 469 48. 594 20. 155 24. 394 1. 00 37. 94 atoms 3632 CB LEU 469 50. 105 19. 992 24. 581 1. 00 40. 90 atoms 3633 CG LEU 469 51. 000 20. 752 23. 593 1. 00 44. 36 atoms 3634 CD1 LEU 469 52. 446 20. 372 23. 899 1. 00 44. 83 atoms 3635 CD2 LEU 469 50. 649 20. 480 22. 138 1. 00 45. 03 atom 3636 C LEU 469 47. 972 18. 767 24. 289 1. 00 37. 18 atoms 3637 O LEU 469 47. 933 18. 171 23. 211 1. 00 36. 97 atoms 3638 N SER 470 47. 435 18. 257 25. 379 1. 00 36. 51 atoms 3639 CA SER 470 46. 740 16. 998 25. 486 1. 00 36. 48 atoms 3640 CB SER 470 45. 960 16. 903 26. 827 1. 00 36. 67 atoms 3641 OG SER 470 46. 874 16. 732 27. 882 1. 00 39. 61 atoms 3642 C SER 470 45. 649 16. 788 24. 451 1. 00 35. 35 atoms 3643 O SER 470 45. 399 15. 659 24. 063 1. 00 35. 11 atoms 3644 N ALA 471 44. 966 17. 855 24. 064 1. 00 35. 05 atom 3645 CA ALA 471 43. 858 17. 844 23. 136 1. 00 34. 63 atoms 3646 CB ALA 471 43. 347 19. 273 22. 991 1. 00 34. 42 atoms 3647 C ALA 471 44. 199 17. 265 21. 770 1. 00 34. 75 atoms 3648 O ALA 471 43. 316 16. 790 21. 053 1. 00 32. 98 atoms 3649 N PHE 472 45. 472 17. 321 21. 390 1. 00 35. 04 atom 3650 CA PHE 472 45. 940 16. 786 20. 120 1. 00 35. 55 atoms 3651 CB PHE 472 47. 092 17. 610 19. 551 1. 00 31. 23 atoms 3652 CG PHE 472 46. 816 19. 088 19. 501 1. 00 30. 69 atoms 3653 CD1 PHE 472 47. 598 19. 981 20. 207 1. 00 30. 16 atoms 3654 CD2 PHE 472 45. 765 19. 599 18. 755 1. 00 31. 14 atoms 3655 CE1 PHE 472 47. 355 21. 344 20. 184 1. 00 28. 80 atoms 3656 CE2 PHE 472 45. 497 20. 957 18. 714 1. 00 28. 67 atoms 3657 CZ PHE 472 46. 292 21. 824 19. 437 1. 00 29. 04 atom 3658 C PHE 472 46. 340 15. 314 20. 267 1. 00 36. 50 atoms 3659 O PHE 472 46. 537 14. 686 19. 219 1. 00 35. 70 atoms 3660 N SER 473 46. 369 14. 770 21. 487 1. 00 36. 44 atoms 3661 CA SER 473 46. 748 13. 368 21. 622 1. 00 38. 23 atoms 3662 CB SER 473 48. 225 13. 303 22. 022 1. 00 40. 10 atoms 3663 OG SER 473 48. 393 13. 779 23. 348 1. 00 46. 11 atoms 3664 C SER 473 45. 900 12. 529 22. 560 1. 00 38. 78 atoms 3665 O SER 473 46. 360 11. 505 23. 084 1. 00 38. 86 atoms 3666 N LEU 474 44. 635 12. 899 22. 777 1. 00 38. 71 atoms 3667 CA LEU 474 43. 788 12. 081 23. 640 1. 00 38. 23 atoms 3668 CB LEU 474 42. 444 12. 736 23. 955 1. 00 38. 44 atoms 3669 CG LEU 474 42. 432 13. 960 24. 870 1. 00 37. 75 atoms 3670 CD1 LEU 474 41. 010 14. 217 25. 352 1. 00 36. 16 atoms 3671 CD2 LEU 474 43. 409 13. 792 26. 021 1. 00 37. 63 atoms 3672 C LEU 474 43. 498 10. 745 22. 955 1. 00 37. 76 atoms 3673 O LEU 474 43. 158 10. 727 21. 769 1. 00 37. 19 atoms 3674 N HIS 475 43. 568 9. 667 23. 727 1. 00 37. 51 atoms 3675 CA HIS 475 43. 260 8. 340 23. 194 1. 00 37. 77 atoms 3676 CB HIS 475 44. 501 7. 683 22. 580 1. 00 37. 30 atoms 3677 CG HIS 475 45. 594 7. 421 23. 568 1. 00 40. 33 atom 3678 CD2 HIS 475 46. 460 8. 285 24. 161 1. 00 40. 72 atoms 3679 ND1 HIS 475 45. 879 6. 174 24. 083 1. 00 40. 30 atoms 3680 CE1 HIS 475 46. 875 6. 273 24. 939 1. 00 40. 48 atoms 3681 NE2 HIS 475 47. 249 7. 544 25. 001 1. 00 42. 00 atom 3682 C HIS 475 42. 630 7. 490 24. 284 1. 00 37. 42 atoms 3683 O HIS 475 42. 581 7. 918 25. 434 1. 00 38. 45 atoms 3684 N SER 476 42. 142 6. 298 23. 967 1. 00 37. 76 atoms 3685 CA SER 476 41. 491 5. 438 24. 959 1. 00 37. 80 atoms 3686 CB SER 476 42. 433 5. 097 26. 116 1. 00 40. 05 atom 3687 OG SER 476 43. 482 4. 263 25. 659 1. 00 43. 86 atoms 3688 C SER 476 40. 241 6. 126 25. 503 1. 00 36. 36 atoms 3689 O SER 476 40. 149 6. 431 26. 683 1. 00 36. 19 atoms 3690 N TYR 477 39. 312 6. 451 24. 605 1. 00 36. 30 atoms 3691 CA TYR 477 38. 109 7. 144 25. 090 1. 00 35. 98 atoms 3692 CB TYR 477 37. 364 7. 774 23. 938 1. 00 36. 13 atoms 3693 CG TYR 477 38. 026 9. 024 23. 395 1. 00 36. 38 atoms 3694 CD1 TYR 477 38. 850 8. 974 22. 272 1. 00 36. 65 atoms 3695 CE1 TYR 477 39. 446 10. 116 21. 765 1. 00 35. 66 atoms 3696 CD2 TYR 477 37. 813 10. 253 24. 001 1. 00 35. 64 atoms 3697 CE2 TYR 477 38. 398 11. 407 23. 508 1. 00 35. 23 atoms 3698 CZ TYR 477 39. 211 11. 329 22. 390 1. 00 35. 78 atoms 3699 OH TYR 477 39. 781 12. 464 21. 868 1. 00 34. 59 atoms 3700 C TYR 477 37. 292 6. 187 25. 943 1. 00 35. 06 Atomic 3701 O TYR 477 37. 581 4. 987 25. 951 1. 00 35. 38 atoms 3702 N SER 478 36. 359 6. 709 26. 727 1. 00 33. 69 atoms 3703 CA SER 478 35. 592 5. 819 27. 592 1. 00 34. 09 atom 3704 CB SER 478 34. 759 6. 606 28. 601 1. 00 31. 64 atoms 3705 OG SER 478 33. 497 6. 926 28. 014 1. 00 32. 51 atom 3706 C SER 478 34. 660 4. 977 26. 725 1. 00 34. 36 atoms 3707 O SER 478 34. 236 5. 436 25. 661 1. 00 35. 61 atoms 3708 N PRO 479 34. 237 3. 831 27. 223 1. 00 33. 74 atoms 3709 CD PRO 479 34. 701 3. 244 28. 497 1. 00 32. 80 atoms 3710 CA PRO 479 33. 288 2. 991 26. 508 1. 00 33. 95 atoms 3711 CB PRO 479 33. 119 1. 768 27. 408 1. 00 34. 67 atoms 3712 CG PRO 479 34. 177 1. 836 28. 453 1. 00 33. 60 atoms 3713 C PRO 479 31. 956 3. 688 26. 292 1. 00 33. 96 atoms 3714 O PRO 479 31. 253 3. 562 25. 290 1. 00 33. 03 atom 3715 N GLY 480 31. 552 4. 482 27. 289 1. 00 34. 92 atoms 3716 CA GLY 480 30. 307 5. 242 27. 212 1. 00 35. 23 atoms 3717 C GLY 480 30. 400 6. 363 26. 186 1. 00 35. 24 atoms 3718 O GLY 480 29. 379 6. 709 25. 586 1. 00 35. 04 atom 3719 N GLU 481 31. 585 6. 952 26. 001 1. 00 35. 30 atoms 3720 CA GLU 481 31. 690 8. 030 25. 019 1. 00 35. 54 atoms 3721 CB GLU 481 32. 972 8. 831 25. 215 1. 00 35. 88 atoms 3722 CG GLU 481 33. 268 9. 885 24. 163 1. 00 34. 94 atoms 3723 CD GLU 481 32. 232 11. 007 24. 180 1. 00 34. 98 atoms 3724 OE1 GLU 481 31. 452 11. 065 25. 160 1. 00 32. 21 atom 3725 OE2 GLU 481 32. 225 11. 777 23. 200 1. 00 32. 43 atoms 3726 C GLU 481 31. 614 7. 461 23. 605 1. 00 35. 55 atoms 3727 O GLU 481 30. 925 8. 051 22. 781 1. 00 34. 27 atoms 3728 N ILE 482 32. 317 6. 353 23. 374 1. 00 36. 28 atoms 3729 CA ILE 482 32. 407 5. 709 22. 085 1. 00 37. 35 atoms 3730 CB ILE 482 33. 419 4. 549 21. 948 1. 00 37. 89 atoms 3731 CG2 ILE 482 33. 741 4. 426 20. 453 1. 00 36. 99 atoms 3732 CG1 ILE 482 34. 658 4. 693 22. 794 1. 00 38. 17 atoms 3733 CD1 ILE 482 36. 025 4. 800 22. 191 1. 00 38. 99 atoms 3734 C ILE 482 31. 079 5. 097 21. 637 1. 00 37. 71 atoms 3735 O ILE 482 30. 740 5. 217 20. 454 1. 00 38. 60 atoms 3736 N ASN 483 30. 367 4. 460 22. 556 1. 00 37. 73 atoms 3737 CA ASN 483 29. 071 3. 897 22. 197 1. 00 39. 00 atom 3738 CB ASN 483 28. 424 3. 106 23. 334 1. 00 41. 02 atom 3739 CG ASN 483 29. 210 1. 827 23. 571 1. 00 45. 51 atom 3740 OD1 ASN 483 30. 096 1. 472 22. 784 1. 00 46. 90 atoms 3741 ND2 ASN 483 28. 889 1. 132 24. 661 1. 00 46. 77 atoms 3742 C ASN 483 28. 147 5. 043 21. 784 1. 00 39. 05 atom 3743 O ASN 483 27. 505 4. 994 20. 735 1. 00 38. 87 atoms 3744 N ARG 484 28. 155 6. 095 22. 613 1. 00 38. 40 atoms 3745 CA ARG 484 27. 349 7. 255 22. 278 1. 00 38. 84 atoms 3746 CB ARG 484 27. 479 8. 344 23. 343 1. 00 40. 82 atoms 3747 CG ARG 484 26. 799 9. 614 22. 844 1. 00 42. 50 atoms 3748 CD ARG 484 25. 959 10. 288 23. 876 1. 00 42. 60 atoms 3749 NE ARG 484 26. 583 11. 008 24. 952 1. 00 42. 33 atoms 3750 CZ ARG 484 27. 701 11. 690 25. 012 1. 00 41. 12 atoms 3751 NH1 ARG 484 28. 509 11. 781 23. 950 1. 00 43. 84 atoms 3752 NH2 ARG 484 28. 032 12. 297 26. 138 1. 00 37. 04 atom 3753 C ARG 484 27. 686 7. 803 20. 897 1. 00 38. 60 atoms 3754 O ARG 484 26. 789 8. 029 20. 078 1. 00 38. 46 atoms 3755 N VAL 485 28. 969 7. 996 20. 612 1. 00 38. 59 atoms 3756 CA VAL 485 29. 357 8. 502 19. 283 1. 00 38. 77 atoms 3757 CB VAL 485 30. 857 8. 807 19. 242 1. 00 36. 16 atoms 3758 CG1 VAL 485 31. 389 9. 192 17. 864 1. 00 34. 71 atom 3759 CG2 VAL 485 31. 158 9. 959 20. 206 1. 00 31. 73 atoms 3760 C VAL 485 28. 887 7. 519 18. 215 1. 00 39. 78 atoms 3761 O VAL 485 28. 219 7. 862 17. 233 1. 00 38. 77 atoms 3762 N ALA 486 29. 167 6. 235 18. 461 1. 00 40. 74 atoms 3763 CA ALA 486 28. 772 5. 182 17. 535 1. 00 41. 87 atoms 3764 CB ALA 486 29. 312 3. 827 17. 986 1. 00 42. 62 atoms 3765 C ALA 486 27. 276 5. 134 17. 270 1. 00 41. 60 atoms 3766 O ALA 486 26. 905 5. 147 16. 084 1. 00 41. 71 atoms 3767 N SER 487 26. 399 5. 115 18. 258 1. 00 41. 77 atoms 3768 CA SER 487 24. 967 5. 107 17. 968 1. 00 43. 22 atoms 3769 CB SER 487 24. 135 5. 074 19. 245 1. 00 42. 82 atoms 3770 OG SER 487 24. 545 3. 971 20. 033 1. 00 46. 12 atoms 3771 C SER 487 24. 540 6. 329 17. 158 1. 00 43. 66 atoms 3772 O SER 487 23. 755 6. 239 16. 215 1. 00 43. 73 atoms 3773 N CYS 488 25. 054 7. 497 17. 540 1. 00 44. 01 atom 3774 CA CYS 488 24. 702 8. 721 16. 835 1. 00 44. 25 atoms 3775 CB CYS 488 25. 309 9. 946 17. 528 1. 00 43. 28 atoms 3776 SG CYS 488 25. 270 11. 403 16. 453 1. 00 42. 10 atoms 3777 C CYS 488 25. 052 8. 675 15. 359 1. 00 44. 54 atoms 3778 O CYS 488 24. 179 9. 014 14. 550 1. 00 44. 72 atoms 3779 N LEU 489 26. 225 8. 237 14. 917 1. 00 45. 01 atom 3780 CA LEU 489 26. 509 8. 191 13. 476 1. 00 46. 07 atom 3781 CB LEU 489 27. 963 7. 817 13. 202 1. 00 43. 99 atoms 3782 CG LEU 489 29. 051 8. 405 14. 094 1. 00 43. 82 atoms 3783 CD1 LEU 489 30. 450 8. 039 13. 615 1. 00 43. 66 atoms 3784 CD2 LEU 489 28. 942 9. 919 14. 209 1. 00 44. 41 atoms 3785 C LEU 489 25. 540 7. 276 12. 722 1. 00 46. 87 atoms 3786 O LEU 489 25. 108 7. 508 11. 584 1. 00 46. 37 atoms 3787 N ARG 490 25. 124 6. 175 13. 334 1. 00 47. 14 atoms 3788 CA ARG 490 24. 172 5. 262 12. 731 1. 00 48. 42 atoms 3789 CB ARG 490 24. 184 3. 965 13. 499 1. 00 53. 51 atoms 3790 CG ARG 490 23. 083 2. 962 13. 264 1. 00 58. 98 atoms 3791 CD ARG 490 23. 493 1. 566 13. 716 1. 00 63. 38 atoms 3792 NE ARG 490 24. 510 1. 577 14. 766 1. 00 66. 17 atoms 3793 CZ ARG 490 25. 824 1. 613 14. 539 1. 00 67. 77 atoms 3794 NH1 ARG 490 26. 251 1. 655 13. 276 1. 00 69. 19 atoms 3795 NH2 ARG 490 26. 670 1. 644 15. 555 1. 00 66. 89 atoms 3796 C ARG 490 22. 758 5. 835 12. 727 1. 00 48. 18 atoms 3797 O ARG 490 21. 978 5. 570 11. 815 1. 00 47. 75 atoms 3798 N LYS 491 22. 418 6. 589 13. 769 1. 00 47. 22 atoms 3799 CA LYS 491 21. 102 7. 205 13. 839 1. 00 46. 99 atoms 3800 CB LYS 491 20. 900 7. 863 15. 201 1. 00 45. 67 atoms 3801 CG LYS 491 19. 700 8. 772 15. 298 1. 00 45. 31 atom 3802 CD LYS 491 19. 565 9. 410 16. 666 1. 00 45. 09 atom 3803 CE LYS 491 20. 473 10. 619 16. 855 1. 00 43. 15 atoms 3804 NZ LYS 491 20. 243 11. 164 18. 222 1. 00 43. 58 atoms 3805 C LYS 491 20. 932 8. 205 12. 702 1. 00 47. 27 atoms 3806 O LYS 491 19. 893 8. 205 12. 042 1. 00 47. 59 atoms 3807 N LEU 492 21. 935 9. 037 12. 468 1. 00 47. 21 atoms 3808 CA LEU 492 21. 923 10. 087 11. 474 1. 00 47. 23 atoms 3809 CB LEU 492 22. 829 11. 240 11. 946 1. 00 46. 23 atoms 3810 CG LEU 492 22. 352 12. 072 13. 133 1. 00 45. 72 atoms 3811 CD1 LEU 492 23. 450 13. 020 13. 593 1. 00 43. 60 atoms 3812 CD2 LEU 492 21. 109 12. 865 12. 739 1. 00 45. 44 atoms 3813 C LEU 492 22. 431 9. 666 10. 104 1. 00 47. 38 atoms 3814 O LEU 492 22. 251 10. 381 9. 114 1. 00 46. 71 atoms 3815 N GLY 493 23. 056 8. 491 10. 036 1. 00 47. 59 atoms 3816 CA GLY 493 23. 591 8. 012 8. 768 1. 00 47. 06 atom 3817 C GLY 493 24. 921 8. 674 8. 439 1. 00 46. 76 atoms 3818 O GLY 493 25. 206 8. 964 7. 280 1. 00 46. 08 atom 3819 N VAL 494 25. 707 8. 961 9. 474 1. 00 47. 09 atom 3820 CA VAL 494 27. 032 9. 556 9. 293 1. 00 47. 18 atoms 3821 CB VAL 494 27. 495 10. 370 10. 507 1. 00 46. 34 atoms 3822 CG1 VAL 494 28. 997 10. 648 10. 470 1. 00 43. 87 atoms 3823 CG2 VAL 494 26. 735 11. 688 10. 581 1. 00 47. 90 atoms 3824 C VAL 494 28. 000 8. 389 9. 091 1. 00 47. 52 atoms 3825 O VAL 494 27. 932 7. 432 9. 858 1. 00 47. 68 atoms 3826 N PRO 495 28. 880 8. 477 8. 114 1. 00 47. 74 atoms 3827 CD PRO 495 28. 995 9. 604 7. 155 1. 00 47. 61 atoms 3828 CA PRO 495 29. 851 7. 433 7. 841 1. 00 47. 62 atoms 3829 CB PRO 495 30. 759 8. 054 6. 785 1. 00 47. 97 atoms 3830 CG PRO 495 29. 904 9. 053 6. 086 1. 00 47. 82 atoms 3831 C PRO 495 30. 625 7. 022 9. 082 1. 00 47. 21 atom 3832 O PRO 495 30. 830 7. 827 9. 980 1. 00 46. 61 atoms 3833 N PRO 496 31. 029 5. 759 9. 143 1. 00 47. 01 atom 3834 CD PRO 496 30. 776 4. 743 8. 089 1. 00 47. 33 atoms 3835 CA PRO 496 31. 734 5. 200 10. 273 1. 00 46. 21 atom 3836 CB PRO 496 31. 851 3. 711 9. 978 1. 00 46. 28 atoms 3837 CG PRO 496 31. 428 3. 486 8. 586 1. 00 46. 45 atoms 3838 C PRO 496 33. 069 5. 857 10. 527 1. 00 45. 68 atoms 3839 O PRO 496 33. 679 6. 448 9. 638 1. 00 45. 35 atoms 3840 N LEU 497 33. 566 5. 742 11. 760 1. 00 45. 61 atoms 3841 CA LEU 497 34. 830 6. 381 12. 131 1. 00 46. 17 atoms 3842 CB LEU 497 35. 158 6. 121 13. 606 1. 00 43. 27 atoms 3843 CG LEU 497 34. 225 6. 791 14. 622 1. 00 43. 92 atoms 3844 CD1 LEU 497 34. 596 6. 429 16. 050 1. 00 41. 06 atom 3845 CD2 LEU 497 34. 170 8. 310 14. 444 1. 00 42. 48 atoms 3846 C LEU 497 35. 972 6. 025 11. 200 1. 00 46. 46 atoms 3847 O LEU 497 36. 692 6. 901 10. 708 1. 00 45. 97 atoms 3848 N ARG 498 36. 124 4. 755 10. 843 1. 00 47. 30 atoms 3849 CA ARG 498 37. 144 4. 272 9. 929 1. 00 48. 11 atoms 3850 CB ARG 498 36. 992 2. 785 9. 584 1. 00 51. 88 atoms 3851 CG ARG 498 35. 717 2. 430 8. 839 1. 00 57. 02 atom 3852 CD ARG 498 35. 984 1. 523 7. 642 1. 00 61. 13 atoms 3853 NE ARG 498 34. 954 1. 650 6. 611 1. 00 64. 83 atoms 3854 CZ ARG 498 35. 181 1. 655 5. 300 1. 00 66. 68 atoms 3855 NH1 ARG 498 36. 430 1. 545 4. 847 1. 00 67. 69 atoms 3856 NH2 ARG 498 34. 177 1. 779 4. 438 1. 00 66. 19 atoms 3857 C ARG 498 37. 183 5. 102 8. 652 1. 00 47. 74 atoms 3858 O ARG 498 38. 256 5. 436 8. 156 1. 00 46. 89 atoms 3859 N VAL 499 36. 030 5. 476 8. 109 1. 00 48. 10 atoms 3860 CA VAL 499 35. 943 6. 324 6. 935 1. 00 48. 56 atoms 3861 CB VAL 499 34. 507 6. 462 6. 409 1. 00 47. 28 atoms 3862 CG1 VAL 499 34. 405 7. 452 5. 256 1. 00 46. 95 atoms 3863 CG2 VAL 499 33. 988 5. 108 5. 948 1. 00 48. 25 atoms 3864 C VAL 499 36. 501 7. 712 7. 248 1. 00 49. 53 atoms 3865 O VAL 499 37. 173 8. 297 6. 401 1. 00 49. 62 atoms 3866 N TRP 500 36. 247 8. 228 8. 444 1. 00 49. 80 atoms 3867 CA TRP 500 36. 757 9. 534 8. 836 1. 00 50. 62 atoms 3868 CB TRP 500 36. 070 10. 018 10. 119 1. 00 46. 52 atoms 3869 CG TRP 500 34. 621 10. 275 9. 788 1. 00 43. 97 atoms 3870 CD2 TRP 500 34. 146 11. 353 8. 973 1. 00 42. 23 atoms 3871 CE2 TRP 500 32. 750 11. 220 8. 895 1. 00 41. 89 atoms 3872 CE3 TRP 500 34. 767 12. 408 8. 300 1. 00 40. 14 atoms 3873 CD1 TRP 500 33. 530 9. 551 10. 154 1. 00 42. 81 atoms 3874 NE1 TRP 500 32. 402 10. 116 9. 628 1. 00 41. 50 atoms 3875 CZ2 TRP 500 31. 956 12. 118 8. 176 1. 00 40. 95 atoms 3876 CZ3 TRP 500 33. 983 13. 285 7. 588 1. 00 39. 46 atoms 3877 CH2 TRP 500 32. 593 13. 139 7. 545 1. 00 40. 26 atoms 3878 C TRP 500 38. 269 9. 505 8. 995 1. 00 52. 27 atoms 3879 O TRP 500 38. 946 10. 476 8. 651 1. 00 52. 08 atom 3880 N ARG 501 38. 791 8. 383 9. 481 1. 00 53. 66 atoms 3881 CA ARG 501 40. 240 8. 261 9. 630 1. 00 56. 13 atoms 3882 CB ARG 501 40. 612 7. 000 10. 394 1. 00 58. 21 atom 3883 CG ARG 501 42. 084 6. 671 10. 455 1. 00 61. 79 atoms 3884 CD ARG 501 42. 450 5. 602 11. 473 1. 00 65. 38 atoms 3885 NE ARG 501 43. 021 6. 144 12. 693 1. 00 68. 34 atoms 3886 CZ ARG 501 42. 416 6. 417 13. 836 1. 00 70. 57 atoms 3887 NH1 ARG 501 41. 125 6. 192 14. 025 1. 00 70. 97 atoms 3888 NH2 ARG 501 43. 117 6. 920 14. 850 1. 00 73. 20 atoms 3889 C ARG 501 40. 836 8. 332 8. 229 1. 00 57. 06 Atomic 3890 O ARG 501 41. 706 9. 160 7. 959 1. 00 57. 05 atom 3891 N HIS 502 40. 322 7. 513 7. 316 1. 00 57. 67 atoms 3892 CA HIS 502 40. 816 7. 509 5. 943 1. 00 58. 89 atoms 3893 CB HIS 502 40. 032 6. 512 5. 088 1. 00 63. 64 atoms 3894 CG HIS 502 40. 363 6. 606 3. 628 1. 00 68. 47 atoms 3895 CD2 HIS 502 39. 762 7. 306 2. 630 1. 00 70. 37 atoms 3896 ND1 HIS 502 41. 428 5. 947 3. 054 1. 00 70. 00 atom 3897 CE1 HIS 502 41. 470 6. 229 1. 765 1. 00 70. 99 atoms 3898 NE2 HIS 502 40. 474 7. 054 1. 482 1. 00 71. 58 atoms 3899 C HIS 502 40. 787 8. 921 5. 367 1. 00 58. 08 Atomic 3900 O HIS 502 41. 803 9. 460 4. 938 1. 00 56. 95 atoms 3901 N ARG 503 39. 622 9. 565 5. 385 1. 00 57. 67 atoms 3902 CA ARG 503 39. 459 10. 931 4. 914 1. 00 56. 62 atoms 3903 CB ARG 503 38. 009 11. 378 5. 117 1. 00 56. 48 atoms 3904 CG ARG 503 37. 007 10. 605 4. 275 1. 00 55. 58 atoms 3905 CD ARG 503 35. 597 10. 718 4. 821 1. 00 55. 36 atoms 3906 NE ARG 503 34. 585 10. 491 3. 800 1. 00 54. 08 atom 3907 CZ ARG 503 33. 308 10. 839 3. 881 1. 00 52. 72 atoms 3908 NH1 ARG 503 32. 800 11. 448 4. 942 1. 00 49. 23 atoms 3909 NH2 ARG 503 32. 512 10. 563 2. 852 1. 00 52. 91 atoms 3910 C ARG 503 40. 436 11. 880 5. 600 1. 00 56. 16 atoms 3911 O ARG 503 41. 060 12. 705 4. 935 1. 00 55. 66 atoms 3912 N ALA 504 40. 646 11. 777 6. 906 1. 00 55. 30 atoms 3913 CA ALA 504 41. 583 12. 615 7. 629 1. 00 55. 07 atom 3914 CB ALA 504 41. 447 12. 413 9. 129 1. 00 53. 69 atoms 3915 C ALA 504 43. 030 12. 413 7. 213 1. 00 54. 86 atoms 3916 O ALA 504 43. 788 13. 389 7. 177 1. 00 54. 46 atoms 3917 N ARG 505 43. 461 11. 210 6. 857 1. 00 55. 53 atoms 3918 CA ARG 505 44. 845 10. 991 6. 411 1. 00 55. 59 atoms 3919 CB ARG 505 45. 140 9. 501 6. 258 1. 00 59. 45 atoms 3920 CG ARG 505 45. 789 8. 844 7. 463 1. 00 64. 44 atoms 3921 CD ARG 505 45. 470 7. 366 7. 599 1. 00 69. 50 atoms 3922 NE ARG 505 44. 829 6. 824 6. 412 1. 00 74. 47 atoms 3923 CZ ARG 505 45. 045 5. 670 5. 799 1. 00 76. 94 atoms 3924 NH1 ARG 505 45. 960 4. 813 6. 243 1. 00 77. 57 atoms 3925 NH2 ARG 505 44. 347 5. 361 4. 706 1. 00 77. 43 atoms 3926 C ARG 505 45. 154 11. 775 5. 135 1. 00 54. 32 atoms 3927 O ARG 505 46. 243 12. 330 4. 966 1. 00 53. 78 atoms 3928 N SER 506 44. 185 11. 892 4. 239 1. 00 52. 72 atoms 3929 CA SER 506 44. 317 12. 647 3. 005 1. 00 51. 71 atoms 3930 CB SER 506 43. 260 12. 149 2. 024 1. 00 50. 67 atoms 3931 OG SER 506 43. 249 12. 927 0. 853 1. 00 52. 16 atoms 3932 C SER 506 44. 252 14. 145 3. 248 1. 00 50. 97 atoms 3933 O SER 506 45. 169 14. 860 2. 829 1. 00 51. 59 atoms 3934 N VAL 507 43. 286 14. 664 3. 994 1. 00 49. 34 atoms 3935 CA VAL 507 43. 197 16. 061 4. 379 1. 00 47. 12 atoms 3936 CB VAL 507 42. 101 16. 260 5. 449 1. 00 44. 99 atoms 3937 CG1 VAL 507 42. 175 17. 622 6. 114 1. 00 43. 28 atoms 3938 CG2 VAL 507 40. 716 16. 067 4. 852 1. 00 44. 53 atoms 3939 C VAL 507 44. 520 16. 553 4. 972 1. 00 46. 44 atoms 3940 O VAL 507 45. 001 17. 653 4. 720 1. 00 45. 27 atoms 3941 N ARG 508 45. 104 15. 733 5. 839 1. 00 46. 29 atoms 3942 CA ARG 508 46. 356 16. 042 6. 509 1. 00 46. 63 atoms 3943 CB ARG 508 46. 661 14. 958 7. 550 1. 00 43. 64 atoms 3944 CG ARG 508 47. 975 15. 196 8. 275 1. 00 42. 76 atoms 3945 CD ARG 508 48. 134 14. 200 9. 417 1. 00 45. 00 atom 3946 NE ARG 508 49. 463 13. 657 9. 418 1. 00 48. 70 atoms 3947 CZ ARG 508 50. 558 13. 872 10. 093 1. 00 51. 92 atoms 3948 NH1 ARG 508 50. 587 14. 752 11. 090 1. 00 54. 71 atoms 3949 NH2 ARG 508 51. 661 13. 180 9. 803 1. 00 53. 07 atom 3950 C ARG 508 47. 516 16. 223 5. 538 1. 00 46. 99 atoms 3951 O ARG 508 48. 231 17. 220 5. 561 1. 00 46. 16 atoms 3952 N ALA 509 47. 700 15. 254 4. 649 1. 00 48. 12 atoms 3953 CA ALA 509 48. 721 15. 312 3. 612 1. 00 49. 64 atoms 3954 CB ALA 509 48. 592 14. 137 2. 643 1. 00 47. 77 atoms 3955 C ALA 509 48. 617 16. 638 2. 856 1. 00 50. 08 atom 3956 O ALA 509 49. 618 17. 344 2. 716 1. 00 50. 22 atoms 3957 N ARG 510 47. 427 16. 984 2. 380 1. 00 50. 74 atoms 3958 CA ARG 510 47. 231 18. 256 1. 697 1. 00 53. 26 atoms 3959 CB ARG 510 45. 753 18. 485 1. 424 1. 00 55. 46 atoms 3960 CG ARG 510 45. 003 17. 367 0. 725 1. 00 58. 22 atoms 3961 CD ARG 510 44. 875 17. 643 -0. 766 1. 00 59. 92 atoms 3962 NE ARG 510 44. 393 18. 999 -1. 005 1. 00 62. 36 atoms 3963 CZ ARG 510 44. 039 19. 515 -2. 177 1. 00 63. 88 atoms 3964 NH1 ARG 510 44. 099 18. 782 -3. 288 1. 00 65. 18 atoms 3965 NH2 ARG 510 43. 619 20. 775 -2. 257 1. 00 62. 61 atoms 3966 C ARG 510 47. 757 19. 384 2. 583 1. 00 54. 41 atoms 3967 O ARG 510 48. 672 20. 119 2. 231 1. 00 54. 05 atom 3968 N LEU 511 47. 189 19. 482 3. 787 1. 00 55. 60 atoms 3969 CA LEU 511 47. 557 20. 485 4. 769 1. 00 56. 78 atoms 3970 CB LEU 511 46. 945 20. 190 6. 143 1. 00 57. 30 atoms 3971 CG LEU 511 45. 459 20. 494 6. 331 1. 00 56. 59 atoms 3972 CD1 LEU 511 44. 974 20. 025 7. 691 1. 00 55. 28 atoms 3973 CD2 LEU 511 45. 200 21. 984 6. 134 1. 00 56. 40 atoms 3974 C LEU 511 49. 068 20. 581 4. 920 1. 00 57. 48 atoms 3975 O LEU 511 49. 639 21. 665 4. 790 1. 00 57. 14 atoms 3976 N LEU 512 49. 708 19. 443 5. 159 1. 00 57. 98 atoms 3977 CA LEU 512 51. 162 19. 414 5. 320 1. 00 59. 96 atoms 3978 CB LEU 512 51. 590 18. 003 5. 710 1. 00 58. 43 atoms 3979 CG LEU 512 52. 446 17. 788 6. 952 1. 00 57. 85 atoms 3980 CD1 LEU 512 52. 026 18. 673 8. 115 1. 00 57. 57 atoms 3981 CD2 LEU 512 52. 367 16. 327 7. 378 1. 00 55. 60 atoms 3982 C LEU 512 51. 874 19. 888 4. 062 1. 00 61. 49 atoms 3983 O LEU 512 52. 890 20. 580 4. 131 1. 00 61. 05 atom 3984 N SER 513 51. 328 19. 601 2. 886 1. 00 62. 99 atoms 3985 CA SER 513 51. 847 19. 980 1. 592 1. 00 65. 12 atoms 3986 CB SER 513 51. 074 19. 221 0. 496 1. 00 63. 64 atoms 3987 OG SER 513 50. 604 20. 093 -0. 513 1. 00 62. 93 atoms 3988 C SER 513 51. 802 21. 467 1. 270 1. 00 66. 83 atoms 3989 O SER 513 52. 365 21. 894 0. 249 1. 00 67. 21 atoms 3990 N GLN 514 51. 139 22. 289 2. 075 1. 00 67. 94 atoms 3991 CA GLN 514 51. 027 23. 695 1. 801 1. 00 68. 91 atoms 3992 CB GLN 514 49. 635 24. 216 2. 195 1. 00 69. 72 atoms 3993 CG GLN 514 48. 698 24. 283 1. 010 1. 00 71. 63 atoms 3994 CD GLN 514 47. 839 23. 037 0. 964 1. 00 74. 02 atom 3995 OE1 GLN 514 47. 169 22. 742 1. 959 1. 00 75. 01 atom 3996 NE2 GLN 514 47. 858 22. 324 -0. 156 1. 00 74. 45 atoms 3997 C GLN 514 51. 944 24. 621 2. 578 1. 00 69. 18 atoms 3998 O GLN 514 52. 280 25. 666 2. 022 1. 00 69. 39 atoms 3999 N GLY 515 52. 143 24. 322 3. 868 1. 00 69. 84 atoms 4000 CA GLY 515 52. 945 25. 289 4. 548 1. 00 69. 92 atoms 4001 C GLY 515 53. 413 25. 360 5. 944 1. 00 69. 37 atoms 4002 O GLY 515 53. 972 24. 468 6. 556 1. 00 70. 22 atoms 4003 N GLY 516 53. 307 26. 608 6. 408 1. 00 69. 09 atom 4004 CA GLY 516 53. 733 26. 988 7. 751 1. 00 67. 75 atoms 4005 C GLY 516 52. 512 26. 820 8. 659 1. 00 66. 48 atoms 4006 O GLY 516 52. 546 25. 978 9. 554 1. 00 66. 81 atoms 4007 N ARG 517 51. 452 27. 575 8. 374 1. 00 64. 73 atoms 4008 CA ARG 517 50. 259 27. 489 9. 210 1. 00 62. 15 atoms 4009 CB ARG 517 49. 533 28. 832 9. 294 1. 00 64. 74 atoms 4010 CG ARG 517 49. 849 29. 612 10. 555 1. 00 66. 51 atoms 4011 CD ARG 517 49. 537 31. 076 10. 532 1. 00 68. 06 atom 4012 NE ARG 517 48. 220 31. 532 10. 908 1. 00 69. 96 atoms 4013 CZ ARG 517 47. 268 32. 018 10. 118 1. 00 70. 48 atoms 4014 NH1 ARG 517 47. 472 32. 134 8. 811 1. 00 69. 84 atoms 4015 NH2 ARG 517 46. 101 32. 402 10. 634 1. 00 69. 85 atoms 4016 C ARG 517 49. 341 26. 355 8. 790 1. 00 59. 90 atoms 4017 O ARG 517 48. 717 25. 699 9. 631 1. 00 59. 47 atoms 4018 N ALA 518 49. 276 26. 072 7. 493 1. 00 57. 47 atoms 4019 CA ALA 518 48. 464 24. 974 6. 987 1. 00 54. 35 atoms 4020 CB ALA 518 48. 339 25. 030 5. 479 1. 00 54. 33 atoms 4021 C ALA 518 49. 051 23. 643 7. 453 1. 00 52. 60 atoms 4022 O ALA 518 48. 320 22. 737 7. 855 1. 00 50. 87 atoms 4023 N ALA 519 50. 380 23. 512 7. 454 1. 00 50. 92 atoms 4024 CA ALA 519 51. 027 22. 298 7. 917 1. 00 49. 71 atoms 4025 CB ALA 519 52. 488 22. 194 7. 525 1. 00 49. 15 atoms 4026 C ALA 519 50. 959 22. 161 9. 439 1. 00 48. 69 atoms 4027 O ALA 519 51. 110 21. 055 9. 957 1. 00 48. 66 atoms 4028 N THR 520 50. 800 23. 275 10. 140 1. 00 47. 46 atoms 4029 CA THR 520 50. 666 23. 235 11. 594 1. 00 45. 98 atoms 4030 CB THR 520 50. 940 24. 616 12. 196 1. 00 45. 32 atoms 4031 OG1 THR 520 52. 353 24. 847 11. 987 1. 00 45. 27 atoms 4032 CG2 THR 520 50. 595 24. 686 13. 670 1. 00 42. 69 atoms 4033 C THR 520 49. 303 22. 664 11. 955 1. 00 44. 34 atoms 4034 O THR 520 49. 208 21. 805 12. 836 1. 00 44. 40 atoms 4035 N CYS 521 48. 268 23. 014 11. 197 1. 00 43. 05 atom 4036 CA CYS 521 46. 957 22. 414 11. 453 1. 00 42. 38 atoms 4037 CB CYS 521 45. 808 23. 013 10. 666 1. 00 37. 78 atoms 4038 SG CYS 521 45. 567 24. 777 10. 937 1. 00 39. 22 atoms 4039 C CYS 521 47. 040 20. 917 11. 167 1. 00 41. 86 atoms 4040 O CYS 521 46. 608 20. 099 11. 970 1. 00 41. 96 atoms 4041 N GLY 522 47. 679 20. 565 10. 060 1. 00 42. 17 atoms 4042 CA GLY 522 47. 864 19. 193 9. 633 1. 00 41. 79 atoms 4043 C GLY 522 48. 535 18. 332 10. 693 1. 00 41. 24 atoms 4044 O GLY 522 48. 110 17. 228 11. 021 1. 00 40. 62 atoms 4045 N LYS 523 49. 590 18. 844 11. 277 1. 00 40. 85 atoms 4046 CA LYS 523 50. 426 18. 183 12. 264 1. 00 41. 09 atom 4047 CB LYS 523 51. 690 19. 051 12. 353 1. 00 39. 12 atoms 4048 CG LYS 523 52. 768 18. 644 13. 325 1. 00 41. 02 atom 4049 CD LYS 523 54. 053 19. 416 12. 995 1. 00 41. 25 atoms 4050 CE LYS 523 54. 806 19. 777 14. 259 1. 00 43. 14 atoms 4051 NZ LYS 523 55. 361 18. 565 14. 921 1. 00 45. 08 atom 4052 C LYS 523 49. 794 18. 005 13. 632 1. 00 41. 61 atoms 4053 O LYS 523 49. 921 16. 961 14. 284 1. 00 41. 09 atom 4054 N TYR 524 49. 131 19. 045 14. 138 1. 00 41. 86 atoms 4055 CA TYR 524 48. 505 19. 045 15. 442 1. 00 41. 36 atoms 4056 CB TYR 524 48. 529 20. 474 16. 021 1. 00 41. 97 atoms 4057 CG TYR 524 49. 930 20. 802 16. 515 1. 00 43. 28 atoms 4058 CD1 TYR 524 50. 923 21. 196 15. 630 1. 00 42. 95 atoms 4059 CE1 TYR 524 52. 197 21. 502 16. 075 1. 00 42. 79 atoms 4060 CD2 TYR 524 50. 250 20. 717 17. 864 1. 00 43. 24 atoms 4061 CE2 TYR 524 51. 523 21. 011 18. 318 1. 00 42. 65 atoms 4062 CZ TYR 524 52. 490 21. 404 17. 417 1. 00 42. 78 atoms 4063 OH TYR 524 53. 769 21. 709 17. 826 1. 00 42. 29 atoms 4064 C TYR 524 47. 090 18. 496 15. 465 1. 00 41. 48 atoms 4065 O TYR 524 46. 805 17. 585 16. 254 1. 00 40. 75 atoms 4066 N LEU 525 46. 183 19. 023 14. 644 1. 00 40. 81 atoms 4067 CA LEU 525 44. 798 18. 608 14. 601 1. 00 39. 80 atoms 4068 CB LEU 525 43. 968 19. 538 13. 679 1. 00 36. 75 atoms 4069 CG LEU 525 44. 152 21. 034 13. 958 1. 00 37. 95 atoms 4070 CD1 LEU 525 43. 372 21. 908 12. 985 1. 00 36. 60 atoms 4071 CD2 LEU 525 43. 722 21. 377 15. 395 1. 00 37. 64 atoms 4072 C LEU 525 44. 624 17. 183 14. 109 1. 00 40. 41 atoms 4073 O LEU 525 43. 610 16. 560 14. 419 1. 00 40. 21 atoms 4074 N PHE 526 45. 537 16. 689 13. 263 1. 00 40. 85 atoms 4075 CA PHE 526 45. 374 15. 370 12. 677 1. 00 40. 64 atoms 4076 CB PHE 526 45. 162 15. 482 11. 151 1. 00 37. 74 atoms 4077 CG PHE 526 43. 886 16. 177 10. 756 1. 00 34. 10 atoms 4078 CD1 PHE 526 43. 900 17. 513 10. 416 1. 00 31. 45 atoms 4079 CD2 PHE 526 42. 670 15. 512 10. 752 1. 00 32. 89 atoms 4080 CE1 PHE 526 42. 735 18. 175 10. 065 1. 00 28. 36 atoms 4081 CE2 PHE 526 41. 501 16. 165 10. 404 1. 00 30. 56 atoms 4082 CZ PHE 526 41. 545 17. 495 10. 060 1. 00 28. 98 atoms 4083 C PHE 526 46. 463 14. 367 12. 979 1. 00 41. 11 atoms 4084 O PHE 526 46. 574 13. 386 12. 233 1. 00 41. 69 atoms 4085 N ASN 527 47. 181 14. 482 14. 091 1. 00 41. 21 atoms 4086 CA ASN 527 48. 169 13. 478 14. 466 1. 00 40. 98 atoms 4087 CB ASN 527 49. 008 13. 944 15. 652 1. 00 41. 27 atoms 4088 CG ASN 527 50. 450 13. 478 15. 559 1. 00 42. 21 atoms 4089 OD1 ASN 527 51. 043 13. 224 16. 602 1. 00 41. 73 atoms 4090 ND2 ASN 527 51. 042 13. 388 14. 373 1. 00 42. 15 atoms 4091 C ASN 527 47. 529 12. 137 14. 813 1. 00 41. 43 atoms 4092 O ASN 527 48. 160 11. 098 14. 612 1. 00 41. 00 atom 4093 N TRP 528 46. 283 12. 130 15. 293 1. 00 41. 21 atoms 4094 CA TRP 528 45. 557 10. 907 15. 586 1. 00 42. 13 atoms 4095 CB TRP 528 44. 180 11. 192 16. 230 1. 00 37. 93 atoms 4096 CG TRP 528 43. 317 12. 076 15. 380 1. 00 34. 34 atoms 4097 CD2 TRP 528 42. 426 11. 694 14. 326 1. 00 32. 91 atoms 4098 CE2 TRP 528 41. 864 12. 867 13. 798 1. 00 32. 39 atoms 4099 CE3 TRP 528 42. 030 10. 462 13. 794 1. 00 34. 49 atoms 4100 CD1 TRP 528 43. 274 13. 435 15. 432 1. 00 34. 38 atoms 4101 NE1 TRP 528 42. 389 13. 918 14. 488 1. 00 33. 58 atoms 4102 CZ2 TRP 528 40. 937 12. 861 12. 760 1. 00 34. 21 atoms 4103 CZ3 TRP 528 41. 108 10. 440 12. 759 1. 00 35. 84 atoms 4104 CH2 TRP 528 40. 571 11. 638 12. 253 1. 00 36. 49 atoms 4105 C TRP 528 45. 336 10. 064 14. 332 1. 00 43. 57 atoms 4106 O TRP 528 45. 218 8. 852 14. 416 1. 00 43. 38 atoms 4107 N ALA 529 45. 198 10. 676 13. 165 1. 00 46. 15 atoms 4108 CA ALA 529 44. 955 9. 982 11. 923 1. 00 49. 40 atoms 4109 CB ALA 529 44. 407 10. 949 10. 879 1. 00 48. 31 atoms 4110 C ALA 529 46. 170 9. 250 11. 372 1. 00 51. 74 atoms 4111 O ALA 529 45. 951 8. 255 10. 665 1. 00 51. 94 atoms 4112 N VAL 530 47. 392 9. 684 11. 657 1. 00 54. 38 atoms 4113 CA VAL 530 48. 559 9. 017 11. 115 1. 00 57. 58 atoms 4114 CB VAL 530 49. 811 9. 901 10. 913 1. 00 56. 64 atoms 4115 CG1 VAL 530 49. 705 10. 591 9. 564 1. 00 55. 90 atoms 4116 CG2 VAL 530 50. 062 10. 871 12. 049 1. 00 55. 80 atoms 4117 C VAL 530 49. 062 7. 817 11. 909 1. 00 60. 30 atoms 4118 O VAL 530 49. 098 7. 798 13. 130 1. 00 60. 61 atoms 4119 N LYS 531 49. 562 6. 847 11. 144 1. 00 63. 26 atoms 4120 CA LYS 531 50. 161 5. 639 11. 685 1. 00 66. 27 atoms 4121 CB LYS 531 50. 666 4. 759 10. 541 1. 00 69. 64 atoms 4122 CG LYS 531 49. 885 3. 501 10. 220 1. 00 72. 08 atom 4123 CD LYS 531 50. 835 2. 453 9. 638 1. 00 74. 25 atoms 4124 CE LYS 531 50. 173 1. 092 9. 518 1. 00 75. 05 atom 4125 NZ LYS 531 51. 138 -0. 023 9. 730 1. 00 75. 24 atoms 4126 C LYS 531 51. 339 5. 945 12. 607 1. 00 67. 35 atoms 4127 O LYS 531 51. 403 5. 445 13. 727 1. 00 67. 82 atoms 4128 N THR 532 52. 297 6. 734 12. 140 1. 00 68. 66 atoms 4129 CA THR 532 53. 485 7. 051 12. 924 1. 00 70. 54 atoms 4130 CB THR 532 54. 760 6. 991 12. 055 1. 00 71. 43 atoms 4131 OG1 THR 532 54. 746 5. 781 11. 285 1. 00 70. 87 atoms 4132 CG2 THR 532 56. 012 7. 006 12. 923 1. 00 71. 75 atoms 4133 C THR 532 53. 376 8. 424 13. 574 1. 00 71. 04 atom 4134 O THR 532 53. 632 9. 443 12. 939 1. 00 70. 97 atoms 4135 N LYS 533 53. 030 8. 409 14. 858 1. 00 71. 72 atoms 4136 CA LYS 533 52. 820 9. 650 15. 569 1. 00 71. 93 atoms 4137 CB LYS 533 52. 196 9. 400 16. 954 1. 00 74. 51 atoms 4138 CG LYS 533 50. 763 8. 932 16. 736 1. 00 76. 61 atoms 4139 CD LYS 533 49. 912 8. 974 17. 989 1. 00 77. 96 atoms 4140 CE LYS 533 48. 519 8. 433 17. 670 1. 00 78. 89 atoms 4141 NZ LYS 533 47. 701 8. 233 18. 898 1. 00 79. 35 atoms 4142 C LYS 533 54. 011 10. 583 15. 649 1. 00 71. 49 atoms 4143 O LYS 533 55. 127 10. 271 16. 022 1. 00 71. 85 atoms 4144 N LEU 534 53. 640 11. 801 15. 232 1. 00 70. 94 atoms 4145 CA LEU 534 54. 544 12. 931 15. 317 1. 00 70. 05 atom 4146 CB LEU 534 54. 174 14. 176 14. 536 1. 00 69. 66 atoms 4147 CG LEU 534 54. 187 14. 156 13. 011 1. 00 69. 70 atoms 4148 CD1 LEU 534 54. 161 15. 585 12. 469 1. 00 69. 87 atoms 4149 CD2 LEU 534 55. 417 13. 445 12. 459 1. 00 69. 68 atoms 4150 C LEU 534 54. 545 13. 314 16. 811 1. 00 69. 63 atoms 4151 O LEU 534 53. 594 13. 115 17. 566 1. 00 69. 18 atoms 4152 N LYS 535 55. 691 13. 865 17. 165 1. 00 69. 01 atom 4153 CA LYS 535 55. 851 14. 329 18. 552 1. 00 68. 42 atoms 4154 CB LYS 535 57. 289 14. 124 18. 967 1. 00 71. 55 atoms 4155 CG LYS 535 57. 611 14. 418 20. 418 1. 00 73. 51 atoms 4156 CD LYS 535 57. 973 15. 884 20. 590 1. 00 75. 34 atoms 4157 CE LYS 535 59. 363 16. 215 20. 066 1. 00 75. 70 atoms 4158 NZ LYS 535 60. 415 15. 943 21. 085 1. 00 75. 79 atoms 4159 C LYS 535 55. 355 15. 769 18. 566 1. 00 66. 92 atoms 4160 O LYS 535 55. 752 16. 564 17. 708 1. 00 67. 34 atoms 4161 N LEU 536 54. 402 16. 053 19. 449 1. 00 64. 88 atoms 4162 CA LEU 536 53. 817 17. 385 19. 503 1. 00 62. 01 atom 4163 CB LEU 536 52. 290 17. 282 19. 536 1. 00 58. 68 atoms 4164 CG LEU 536 51. 673 16. 465 18. 400 1. 00 56. 57 atoms 4165 CD1 LEU 536 50. 164 16. 431 18. 529 1. 00 55. 26 atoms 4166 CD2 LEU 536 52. 077 17. 029 17. 043 1. 00 56. 85 atoms 4167 C LEU 536 54. 310 18. 186 20. 694 1. 00 61. 38 atoms 4168 O LEU 536 54. 070 17. 818 21. 843 1. 00 60. 98 atoms 4169 N THR 537 54. 994 19. 282 20. 380 1. 00 60. 65 atoms 4170 CA THR 537 55. 542 20. 195 21. 378 1. 00 60. 08 atom 4171 CB THR 537 57. 042 20. 462 21. 152 1. 00 59. 39 atoms 4172 OG1 THR 537 57. 223 21. 100 19. 879 1. 00 59. 90 atoms 4173 CG2 THR 537 57. 841 19. 175 21. 198 1. 00 57. 38 atoms 4174 C THR 537 54. 793 21. 520 21. 323 1. 00 60. 03 atom 4175 O THR 537 54. 024 21. 766 20. 396 1. 00 59. 74 atoms 4176 N PRO 538 54. 994 22. 378 22. 309 1. 00 60. 50 atoms 4177 CD PRO 538 55. 854 22. 151 23. 491 1. 00 60. 05 atom 4178 CA PRO 538 54. 296 23. 648 22. 394 1. 00 62. 34 atoms 4179 CB PRO 538 54. 863 24. 299 23. 650 1. 00 60. 91 atoms 4180 CG PRO 538 55. 312 23. 149 24. 478 1. 00 60. 04 atom 4181 C PRO 538 54. 432 24. 536 21. 173 1. 00 64. 63 atoms 4182 O PRO 538 55. 537 24. 869 20. 741 1. 00 65. 28 atoms 4183 N ILE 539 53. 298 24. 952 20. 611 1. 00 67. 68 atoms 4184 CA ILE 539 53. 290 25. 810 19. 432 1. 00 71. 31 atoms 4185 CB ILE 539 51. 881 25. 985 18. 841 1. 00 69. 01 atom 4186 CG2 ILE 539 51. 804 27. 065 17. 775 1. 00 66. 70 atoms 4187 CG1 ILE 539 51. 380 24. 656 18. 259 1. 00 67. 98 atoms 4188 CD1 ILE 539 50. 167 24. 128 18. 987 1. 00 67. 78 atoms 4189 C ILE 539 53. 908 27. 172 19. 733 1. 00 74. 86 atoms 4190 O ILE 539 53. 411 27. 937 20. 557 1. 00 74. 77 atoms 4191 N PRO 540 54. 985 27. 494 19. 022 1. 00 78. 13 atoms 4192 CD PRO 540 55. 612 26. 602 18. 007 1. 00 78. 72 atoms 4193 CA PRO 540 55. 688 28. 755 19. 166 1. 00 80. 96 atoms 4194 CB PRO 540 56. 725 28. 726 18. 049 1. 00 80. 38 atoms 4195 CG PRO 540 56. 898 27. 298 17. 676 1. 00 79. 74 atoms 4196 C PRO 540 54. 824 30. 003 19. 060 1. 00 83. 92 atoms 4197 O PRO 540 53. 877 30. 076 18. 270 1. 00 84. 20 atoms 4198 N ALA 541 55. 166 31. 032 19. 835 1. 00 86. 83 atoms 4199 CA ALA 541 54. 427 32. 288 19. 864 1. 00 90. 36 atoms 4200 CB ALA 541 54. 914 33. 125 21. 044 1. 00 90. 83 atoms 4201 C ALA 541 54. 529 33. 093 18. 574 1. 00 92. 46 atoms 4202 O ALA 541 55. 108 32. 644 17. 586 1. 00 92. 76 atoms 4203 N ALA 542 53. 955 34. 294 18. 573 1. 00 94. 67 atoms 4204 CA ALA 542 53. 965 35. 176 17. 412 1. 00 97. 14 atoms 4205 CB ALA 542 52. 662 35. 960 17. 315 1. 00 96. 80 atoms 4206 C ALA 542 55. 146 36. 145 17. 431 1. 00 98. 65 atoms 4207 O ALA 542 55. 520 36. 675 18. 477 1. 00 99. 00 atom 4208 N SER 543 55. 728 36. 382 16. 260 1. 00100. 02 atom 4209 CA SER 543 56. 878 37. 267 16. 130 1. 00101. 75 atoms 4210 CB SER 543 58. 103 36. 477 15. 662 1. 00101. 78 atoms 4211 OG SER 543 57. 861 35. 747 14. 475 1. 00101. 37 atoms 4212 C SER 543 56. 592 38. 432 15. 192 1. 00102. 85 atoms 4213 O SER 543 55. 457 38. 653 14. 775 1. 00102. 81 atoms 4214 N GLN 544 57. 630 39. 186 14. 869 1. 00103. 89 atoms 4215 CA GLN 544 57. 610 40. 337 13. 995 1. 00104. 95 atoms 4216 CB GLN 544 56. 528 40. 294 12. 911 1. 00106. 48 atoms 4217 CG GLN 544 56. 950 40. 994 11. 635 1. 00107. 82 atoms 4218 CD GLN 544 55. 886 41. 816 10. 948 1. 00108. 80 atoms 4219 OE1 GLN 544 55. 451 41. 491 9. 841 1. 00109. 07 atom 4220 NE2 GLN 544 55. 456 42. 912 11. 571 1. 00109. 05 atom 4221 C GLN 544 57. 458 41. 636 14. 791 1. 00105. 21 atoms 4222 O GLN 544 57. 581 42. 726 14. 192 1. 00105. 61 atoms 4223 O HOH 601 39. 416 32. 373 21. 959 1. 00 38. 26 atoms 4224 O HOH 602 34. 853 12. 289 23. 051 1. 00 25. 35 atoms 4225 O HOH 603 7. 176 41. 823 27. 240 1. 00 34. 90 atoms 4226 O HOH 604 27. 015 49. 222 35. 013 1. 00 21. 37 atoms 4227 O HOH 605 11. 909 45. 427 20. 466 1. 00 23. 37 atoms 4228 O HOH 606 45. 945 15. 106 16. 832 1. 00 25. 63 atoms 4229 O HOH 607 22. 293 44. 940 22. 409 1. 00 26. 54 atoms 4230 O HOH 608 24. 789 15. 423 25. 741 1. 00 31. 72 atoms 4231 O HOH 609 36. 607 20. 122 27. 816 1. 00 32. 48 atoms 4232 O HOH 610 15. 150 17. 094 36. 202 1. 00 32. 73 atoms 4233 O HOH 611 33. 052 48. 857 20. 494 1. 00 62. 14 atoms 4234 O HOH 612 16. 443 23. 960 36. 558 1. 00 26. 79 atoms 4235 O HOH 613 12. 419 39. 814 32. 488 1. 00 25. 49 atoms 4236 O HOH 614 12. 846 33. 895 43. 699 1. 00 34. 61 atoms 4237 O HOH 615 8. 062 45. 477 29. 238 1. 00 35. 36 atoms 4238 O HOH 616 13. 451 46. 746 18. 419 1. 00 28. 42 atoms 4239 O HOH 617 22. 219 45. 078 27. 235 1. 00 32. 79 atoms 4240 O HOH 618 14. 351 35. 851 42. 540 1. 00 31. 94 atoms 4241 O HOH 619 35. 894 9. 447 27. 106 1. 00 29. 78 atoms 4242 O HOH 620 6. 654 38. 401 15. 563 1. 00 33. 57 atoms 4243 O HOH 621 30. 549 10. 500 27. 836 1. 00 30. 60 atoms 4244 O HOH 622 42. 028 18. 441 19. 060 1. 00 32. 56 atoms 4245 O HOH 623 19. 629 1. 886 53. 249 1. 00 40. 72 atoms 4246 O HOH 624 18. 601 43. 513 26. 480 1. 00 37. 90 atoms 4247 O HOH 625 28. 748 26. 644 18. 484 1. 00 41. 26 atoms 4248 O HOH 626 26. 560 11. 619 29. 877 1. 00 38. 48 atoms 4249 O HOH 627 29. 465 15. 171 34. 150 1. 00 36. 73 atoms 4250 O HOH 628 43. 035 16. 934 17. 134 1. 00 36. 73 atoms 4251 O HOH 629 23. 822 46. 573 24. 097 1. 00 33. 20 atoms 4252 O HOH 630 25. 271 50. 335 38. 538 1. 00 25. 12 atoms 4253 O HOH 631 4. 320 37. 148 42. 301 1. 00 32. 46 atoms 4254 O HOH 632 40. 613 17. 436 39. 080 1. 00 49. 80 atoms 4255 O HOH 633 12. 003 29. 726 38. 297 1. 00 29. 29 atoms 4256 O HOH 634 35. 382 50. 151 34. 603 1. 00 34. 72 atoms 4257 O HOH 635 13. 096 55. 001 28. 185 1. 00 36. 33 atoms 4258 O HOH 636 20. 632 26. 171 14. 508 1. 00 33. 70 atoms 4259 O HOH 637 28. 974 41. 981 32. 988 1. 00 43. 64 atoms 4260 O HOH 638 7. 781 57. 786 29. 001 1. 00 38. 97 atoms 4261 O HOH 639 38. 145 24. 924 39. 145 1. 00 29. 73 atoms 4262 O HOH 640 27. 943 22. 537 14. 423 1. 00 37. 91 atoms 4263 O HOH 641 28. 202 32. 555 23. 637 1. 00 51. 86 atoms 4264 O HOH 642 39. 590 20. 940 28. 396 1. 00 38. 94 atoms 4265 O HOH 643 14. 505 36. 769 53. 588 1. 00 37. 92 atoms 4266 O HOH 644 16. 399 35. 986 23. 736 1. 00 35. 19 atoms 4267 O HOH 645 7. 012 57. 783 36. 498 1. 00 32. 48 atoms 4269 O HOH 647 27. 052 22. 485 23. 212 1. 00 33. 74 atoms 4270 O HOH 648 20. 118 11. 628 49. 419 1. 00 33. 05 atom 4271 O HOH 649 14. 595 42. 910 38. 429 1. 00 28. 04 atom 4272 O HOH 650 48. 673 28. 709 22. 473 1. 00 36. 18 atoms 4273 O HOH 651 16. 154 46. 223 18. 351 1. 00 28. 46 atoms 4274 O HOH 652 4. 856 50. 821 25. 300 1. 00 40. 58 atoms 4275 O HOH 653 15. 174 52. 133 22. 544 1. 00 33. 68 atoms 4276 O HOH 654 27. 053 58. 765 29. 773 1. 00 28. 44 atoms 4277 O HOH 655 22. 999 55. 126 46. 074 1. 00 32. 29 atoms 4278 O HOH 656 18. 007 14. 225 36. 118 1. 00 41. 28 atoms 4279 O HOH 657 42. 757 18. 415 26. 706 1. 00 40. 21 atoms 4280 O HOH 658 10. 348 47. 542 21. 144 1. 00 40. 90 atoms 4281 O HOH 659 24. 714 53. 454 48. 065 1. 00 35. 45 atoms 4282 O HOH 660 26. 171 52. 196 40. 388 1. 00 36. 38 atoms 4283 O HOH 661 22. 662 38. 585 33. 007 1. 00 30. 29 atoms 4284 O HOH 662 28. 462 38. 673 21. 230 1. 00 40. 56 atoms 4285 O HOH 663 27. 665 61. 143 24. 885 1. 00 34. 88 atoms 4286 O HOH 664 5. 749 46. 729 33. 345 1. 00 39. 87 atoms 4287 O HOH 665 32. 097 4. 335 13. 546 1. 00 44. 93 atoms 4288 O HOH 666 15. 509 57. 627 43. 098 1. 00 38. 96 atoms 4289 O HOH 667 28. 878 55. 157 39. 117 1. 00 39. 74 atoms 4290 O HOH 668 2. 344 34. 193 39. 491 1. 00 41. 74 atoms 4291 O HOH 669 18. 705 17. 526 18. 312 1. 00 48. 89 atoms 4292 O HOH 670 18. 545 40. 630 23. 557 1. 00 40. 79 atoms 4293 O HOH 671 18. 093 56. 934 43. 757 1. 00 43. 01 atom 4294 O HOH 672 33. 865 21. 464 45. 335 1. 00 45. 20 atoms 4295 O HOH 673 18. 738 11. 296 52. 312 1. 00 40. 67 atoms 4296 O HOH 674 49. 842 21. 756 27. 208 1. 00 45. 26 atoms 4297 O HOH 675 14. 077 61. 768 26. 894 1. 00 44. 21 atoms 4298 O HOH 676 29. 352 37. 793 38. 488 1. 00 47. 48 atoms 4299 O HOH 677 14. 688 40. 086 34. 203 1. 00 32. 06 atom 4300 O HOH 678 -0. 130 42. 110 35. 386 1. 00 50. 62 atoms 4301 O HOH 679 23. 917 59. 062 40. 381 1. 00 52. 82 atoms 4302 O HOH 680 21. 039 27. 441 18. 989 1. 00 53. 38 atoms 4303 O HOH 681 4. 465 42. 536 40. 933 1. 00 53. 59 atoms 4304 O HOH 682 28. 864 53. 264 42. 979 1. 00 49. 83 atoms 4305 O HOH 683 12. 790 53. 372 23. 492 1. 00 41. 76 atoms 4306 O HOH 684 20. 419 19. 429 22. 191 1. 00 56. 08 atom 4307 O HOH 685 32. 405 6. 817 33. 858 1. 00 43. 52 atoms 4308 O HOH 686 41. 032 18. 710 28. 730 1. 00 35. 22 atoms 4309 O HOH 687 33. 372 56. 650 29. 484 1. 00 38. 25 atoms 4310 O HOH 688 12. 177 53. 403 26. 018 1. 00 47. 47 atoms 4311 O HOH 689 13. 067 24. 959 19. 948 1. 00 39. 99 atoms 4312 O HOH 690 26. 208 56. 586 32. 718 1. 00 35. 69 atoms 4313 O HOH 691 10. 850 35. 203 26. 471 1. 00 51. 20 atoms 4314 O HOH 692 -1. 246 47. 904 29. 933 1. 00 74. 47 atoms 4315 O HOH 693 15. 332 41. 394 36. 356 1. 00 33. 45 atoms 4316 O HOH 694 31. 936 5. 151 29. 986 1. 00 44. 42 atoms 4317 O HOH 695 20. 757 13. 531 36. 698 1. 00 37. 98 atoms 4318 O HOH 696 41. 789 31. 683 2. 247 1. 00 40. 60 atoms 4319 O HOH 697 13. 768 27. 205 18. 627 1. 00 51. 03 atom 4320 O HOH 698 14. 296 13. 956 52. 787 1. 00 49. 10 atoms 4321 O HOH 699 1. 909 45. 188 21. 728 1. 00 39. 05 atom 4322 O HOH 700 3. 892 35. 085 43. 819 1. 00 46. 10 atoms 4323 O HOH 701 28. 415 57. 528 34. 019 1. 00 37. 60 atoms 4324 O HOH 702 17. 015 45. 788 49. 000 1. 00 52. 80 atoms 4325 O HOH 703 13. 341 58. 649 23. 958 1. 00 39. 43 atoms 4326 O HOH 704 1. 465 28. 797 15. 139 1. 00 46. 86 atoms 4327 O HOH 705 28. 207 9. 256 27. 941 1. 00 44. 81 atoms 4328 O HOH 706 12. 303 56. 985 21. 644 1. 00 59. 92 atoms 4329 O HOH 707 45. 674 18. 021 30. 152 1. 00 44. 70 atoms 4330 O HOH 708 16. 390 10. 721 5. 568 1. 00 47. 62 atoms 4331 O HOH 709 33. 735 40. 733 36. 056 1. 00 45. 60 atoms 4332 O HOH 710 22. 082 49. 360 49. 539 1. 00 40. 39 atoms 4333 O HOH 711 12. 143 56. 551 25. 310 1. 00 52. 77 atoms 4334 O HOH 712 23. 693 10. 126 29. 221 1. 00 39. 54 atoms 4335 O HOH 713 15. 947 9. 210 7. 818 1. 00 52. 62 atoms 4336 O HOH 714 18. 643 63. 643 26. 154 1. 00 45. 78 atoms 4337 O HOH 715 20. 433 63. 664 28. 381 1. 00 43. 88 atoms 4338 O HOH 716 4. 576 31. 597 52. 144 1. 00 43. 55 atoms 4339 O HOH 717 27. 625 58. 111 38. 906 1. 00 48. 38 atoms 4340 O HOH 718 34. 785 24. 278 25. 937 1. 00 36. 67 atoms 4341 O HOH 719 38. 676 32. 144 25. 131 1. 00 48. 13 atoms 4342 O HOH 720 11. 971 44. 859 44. 730 1. 00 39. 23 atoms 4343 O HOH 721 27. 713 4. 896 10. 913 1. 00 37. 81 atoms 4344 O HOH 722 26. 253 2. 516 9. 114 1. 00 41. 98 atoms 4345 O HOH 723 25. 335 25. 234 18. 476 1. 00 46. 74 atoms 4346 O HOH 724 28. 698 6. 858 44. 415 1. 00 56. 04 atom 4347 O HOH 725 25. 724 22. 733 17. 953 1. 00 45. 92 atoms 4348 O HOH 726 30. 617 28. 694 15. 393 1. 00 56. 96 atoms 4349 O HOH 727 24. 267 5. 963 38. 117 1. 00 49. 89 atoms 4350 O HOH 728 36. 317 56. 063 21. 506 1. 00 55. 28 atoms 4351 O HOH 729 24. 123 28. 153 13. 537 1. 00 53. 34 atoms 4352 O HOH 730 24. 186 59. 247 30. 993 1. 00 49. 92 atoms 4353 O HOH 731 7. 413 53. 048 27. 667 1. 00 37. 69 atoms 4354 O HOH 732 33. 542 1. 246 14. 005 1. 00 44. 57 atoms 4355 O HOH 733 27. 985 60. 350 27. 701 1. 00 47. 94 atoms 4356 O HOH 734 -1. 449 42. 665 33. 002 1. 00 45. 86 atoms 4357 O HOH 735 49. 651 16. 083 23. 075 1. 00 44. 34 atoms 4358 O HOH 736 28. 788 6. 954 29. 339 1. 00 59. 77 atoms 4359 O HOH 737 11. 485 48. 716 23. 565 1. 00 24. 30 atoms 4360 O HOH 738 43. 978 7. 666 17. 742 1. 00 52. 44 atoms 4361 O HOH 739 -5. 600 36. 652 31. 754 1. 00 45. 41 atoms 4362 O HOH 740 -1. 755 36. 423 20. 500 1. 00 48. 38 atoms 4363 O HOH 741 1. 470 26. 349 16. 442 1. 00 62. 39 atoms 4364 O HOH 742 25. 968 15. 337 28. 212 1. 00 44. 37 atoms 4365 O HOH 743 35. 235 37. 148 11. 152 1. 00 40. 43 atoms 4366 O HOH 744 3. 609 36. 727 39. 779 1. 00 38. 39 atoms 4367 O HOH 745 7. 630 24. 434 11. 385 1. 00 39. 65 atoms 4369 O HOH 746 35. 611 26. 631 42. 519 1. 00 46. 91 atoms 4370 O HOH 747 21. 977 25. 528 12. 231 1. 00 48. 62 atoms 4371 O HOH 748 7. 061 26. 561 50. 562 1. 00 43. 78 atoms 4372 O HOH 749 -2. 200 42. 958 26. 253 1. 00 44. 29 atoms 4373 O HOH 750 14. 510 23. 745 31. 041 1. 00 52. 28 atoms 4374 O HOH 751 33. 359 49. 132 31. 548 1. 00 44. 21 atoms 4375 O HOH 752 23. 513 56. 496 31. 204 1. 00 50. 34

The structure of HCV polymerase was determined by using the program software RasMol (free software, Roger Say).
le, Glaxo Research & Development
ment, Greenford, Middlesex,
(UK). NS5B shown in Table 2
FIG. 1 shows a three-dimensional structure diagram in which the ₅₇₀ structure coordinates are visualized by a ribbon model. The results of these crystal structure analysis, HCV polymerase _{NS5B 570} crystals, a = b = 63.7
Å, c = 262.9Å belongs to the space group of P4 ₃ 2 ₁ 2
HCV polymerase NS5B ₅₇₀ was found to be a 67 × 63 × 68 ° spherical protein having a mortar shape in its structure. Three-dimensional structural features include:
It has a glove-like structure as shown in FIG. 1, and includes a Fingers portion, a Palm portion, a Thumb portion, and a Holder.
r) site. FIG. 2 shows a schematic structural diagram of the HCV polymerase. The finger site has four β-sheets and one α-helix, and has a similar structure despite no amino acid sequence similarity to HIV reverse transcriptase. Two long loops (a loop extending from the N-terminus to the αA helix, β1 and β
2), and a net-like net is formed from the lower part of the mortar shape to the upper end of the thumb part. On the other hand, the lower part of the net is open, which is considered to be an entrance for ribonucleoside triphosphate (rNTP) as a substrate. Known poliovirus polymerase structures (Structure 5, 1109-1122 (1
997)) is known to have a Fingers site, a Palm site, and a Thumb site. The structure of the finger site is irregular except for the end of the net that includes a short helix in which the finger site extends to the thumb site. However, the structures of most of the remaining finger sites have not yet been determined.

The holder site consists of two helices, αH and αI, which support this region, αC, αD,
It is composed of αE, a part of αF, and a long loop inserted between the finger site and palm site between αD and αE. This part is located between the palm part and the valley, which is one surface of the mortar-shaped wall, and the finger part between the valley.
Form a trough shaped trough. The two valleys are lined with basic amino acid residues and are positively charged. The positively charged surface is
The U-shaped valley is considered to be the entrance of the template RNA because it is convenient for the binding of the negatively charged template RNA. The palm site contains HIV reverse transcriptase, E. coli. coli or Taq DNA-dependent DNA polymerase or T7 DNA
It has a structure similar to a dependent polymerase. The thumb site consists of seven helices, two twisted β-sheets. The central structure of this site has a structure similar to HIV reverse transcriptase. The β-sheet protruding from the tip of the thumb site is made of non-hydrophilic residues except for the hydrophilic junction, and hangs down to the center of the mortar shape so as to suppress the non-hydrophilic region at the C-terminus. Such a long β-sheet is a feature not found in other polymerases. The N-terminus of HCV polymerase together with β5 forms a pseudo β-sheet at the center of the finger site. This is related to the fact that the mutant from which the N-terminus has been removed inactivates replicase activity.

[0067] (Example 4) HCV polymerase active site and RNA binding Kurefutopamu site inside the space portion of the determined resultant HCV polymerase _(NS5B 570, NS5
B _544, NS5B _{5 36,} discussed with respect to the three-dimensional structure of _{NS5B 531),} discussed with respect to the three-dimensional structural change between the HCV polymerase, and the three-dimensional structure compared with proteins with similar functions, active sites of the HCV polymerase and The determination of the spatial site inside the RNA binding cleft palm site was performed. The palm site of HCV polymerase contains HIV reverse transcriptase, E. coli. coli or TaqDN
It was found to have a similar structure to A-dependent DNA polymerase and T7 DNA-dependent polymerase. From this, the amino acid residues conserved between the active site of the known palm site and the palm site of HCV polymerase were compared, and position 220 of the amino acid sequence of HCV polymerase,
Aspartic acid at positions 318 and 319, Ly at position 141
s, space constituted by Arg at position 158 and / or (2) Ser at position 282, Thr at position 287, 291
And a shallow hydrophilic cavity composed of Asn at the top position was determined to be the “active site”. Asp at position 225 is H
It corresponds to Tyr at position 115 of IV reverse transcriptase, and it is considered that this difference in amino acids selects the binding substrate to be rNTP or dNTP. Also, Arg at position 158 and Lys at position 141 of the finger site are amino acid residues conserved between HCV polymerase and HIV reverse transcriptase, and are considered to have an important role in rNTP binding. Also, the thumb site of HCV polymerase can move structurally relative to the palm and finger sites, and this movement changes the space inside the palm site. This movement can be compared to a closed state and an open state of the glove. This space is composed of the amino acids 197 to 223, 310
325 to 366 and 348 to 366. This region is referred to as a “space portion inside the palm portion”. The compounds present in this space
It is thought to inhibit space formation and inactivate polymerase activity. Therefore, it is reasonably estimated that the above-mentioned region of the “space part inside the palm part” palm part is a target of the HCV polylase activity inhibitor. This space was identified as a space inside the palm portion of HCV polymerase. Even if some structural distortion occurs, since this space is presumed to be a space part inside a palm part of the RNA binding site, these regions contain 1 to 20 amino acids. , Preferably 1-1
The number including 0, more preferably about 1 to 5 is also included. FIG. 3 shows a comparison of the amino acid sequences of HCV polymerase, poliovirus polymerase, and HIV reverse transcriptase. In the figure, HCV represents HCV polymerase,
POLIO uses poliovirus polymerase, HIVR
T represents HIV reverse transcriptase. In addition, the underline of the arrangement indicates a portion whose structure has not been clarified by the conventional crystal structure analysis. As is clear from these amino acid sequences, it is difficult to deduce the spatial RNA binding cleft site inside these active sites / palm sites only from the two-dimensional structure.

[0068] As a result of the three-dimensional structural analysis of the _{NS5B 570,}
C-terminal structure in which 545 of to 570 of the polypeptide of HCV polymerase _{NS5B 570} is the HCV polymerase itself, it revealed that the structure to be incorporated in the space portion of the inner part Palm site for RNA binding cleft . FIG. 4 ＠ shows a schematic diagram in which the C-terminal structure is emphasized. Furthermore, the RNA-binding cleft incorporating the C-terminal structure is NS5B with the C-terminal truncated.
NS5B ₅₄₄ , NS5B ₅₃₆ and NS5B
It was confirmed that the glove was slightly closed compared to that of ₅₃₁ and was in a slightly closed state. This confirms that a space site inside the RNA-binding cleft palm site can be a target of polylase activity inhibition.

Also, positions 90, 98, 1
Lys at position 06, position 172, Arg at position 168, and Arg at position 465 at the thumb site are RNA duplexes in a computer-based binding model using a simulated short double-difference RNA model consisting of a template and primers. It is located within 5 ° from the phosphodiester backbone of the model, and is considered to have an important role in binding RNA chains. Therefore, these sites may also be targets for inhibiting the activity of polylase.

Example 5 Evaluation of HCV Polymerase Activity Synthesis of Template RNA A DNA fragment (148 bp) containing the polyU and 3′X sequences was synthesized using synthetic primers designed based on the 3 ′ untranslated region sequence of the HCV genome. ) Is completely synthesized and the plasmid pBluesc
It was cloned into ript SK II (+) (Stratagene). The cDNA encoding full-length NS5B prepared in the same manner as in Example 1 was digested with the restriction enzyme KpnI to obtain a cDNA fragment consisting of the nucleotide sequence from the restriction enzyme cleavage site to the termination codon. This cDNA fragment is called pBluescript
It was inserted and connected upstream of the 3 ′ untranslated region DNA of SK II (+). A total of about 450 bp DNA inserted in this way
The sequence was used as a template for preparing the template RNA. The plasmid was cleaved immediately after the 3'X sequence, linearized, purified by phenol / chloroform treatment, and ethanol precipitation to recover DNA. Using the purified DNA as a template, the promoter of pBluescript SK II (+)
EGAscript RNA Synthesis Kit (Ambion
Run-o using T7 RNA polymerase
RNA synthesis was performed by the ff method (37 ° C., 3 hours). Then, after adding DNase I and incubating for 1 hour, the template DNA was decomposed and removed to obtain a crude RNA product. The crude product was treated with phenol / chloroform and purified by ethanol precipitation to obtain the target template RNA. The quality of the RNA
After confirming by formaldehyde denaturing agarose gel electrophoresis, it was stored at -80 ° C. The RNA is a preferred template RNA for performing highly sensitive polymerase activity measurement. The nucleic acid sequence of the RNA is shown in SEQ ID NO: 10.

Measurement of HCV polymerase activity A reaction solution (30 μl) having the following composition was reacted at 25 ° C. for 90 minutes. Next, a 10% trichloroacetic acid and 1% sodium pyrophosphate solution (150 μl) at 4 ° C. was added to the reaction solution.
Was added to stop the reaction, and the mixture was allowed to stand on ice for 15 minutes to insolubilize RNA. Then, the RNA is subjected to suction filtration to a glass filter (eg, Whatman GF / C).
Trapped. The filter was washed with a solution consisting of 1% trichloroacetic acid and 0.1% sodium pyrophosphate, then washed with 90% ethanol and dried. A liquid scintillation cocktail (Packard) was added, and the radioactivity of the RNA synthesized by the enzymatic reaction was measured with a liquid scintillation counter. The activity of HCV polymerase is based on the radioactivity in the enzymatic reaction of NS5B ₅₉₁ , and the activity of the compound of the present invention for inhibiting the radioactivity in the enzymatic reaction of NS5B ₅₉₁ (I
C ₅₀ ) was calculated from the value of radioactivity in the enzyme reaction when the test substance was added and the value of the radioactivity in the enzyme reaction without the test substance. The results are shown in Table 4 ＠. Reaction solution: HCV polymerase (1 μg / ml) obtained in (Example 1), template RNA obtained in (Example 5)
(10 μg / ml), ATP (50 μM), GTP (5
0 μM), CTP (50 μM), UTP (2 μM),
[5,6- ³ H] UTP (46 Ci / mmol (Ame
rsham), 1.5 μCi) 20 mM Tris-
HCl (pH 7.5), EDTA (1 mM), MgCl
₂ (5 mM), NaCl (50 mM), DTT (1 m
M), BSA (0.01%)

[0072]

[Table 4]

(Example 6) HCV polymerase useful for measuring the activity of HCV polymerase Based on the above results, NS5B ₅₄₄ , NS5B ₅₃₆ and NS5B ₅₃₁ were obtained from the natural HCV polymerase NS5B.
Both showed high HCV polymerase activity when compared to ₅₉₁ and NS5B ₅₇₀ . In particular, in the polymerase activity evaluation using the RNA substrate as described in SEQ ID NO: 10, it was known that surprisingly have a comparison with more than 20 times higher polymerase activity and NS5B _591. By measuring the activity of these HCV polymerases,
The S5B ₅₅₂ does not exhibit high activity, and, of NS5B amino acid sequences in the crystal structure analysis (Example 3) 51
In view of the fact that positions 7 to 526 were known to have a helical structure, which is one of the secondary structures that play an important role in maintaining the higher-order structure of the protein, NS5B
HC having an amino acid sequence of _{526 to} NS5B ₅₅₁
V polymerase is presumed to have high HCV polymerase activity. _NS5B 544 with these high HCV polymerase activity, _{NS5B 536} and NS5
_B531 is very useful for evaluating the degree of inhibition of a candidate inhibitor compound in the evaluation of an inhibitory inhibitor in vitro, and it is possible to efficiently design, select, or identify the HCV polymerase inhibitor. It is possible.
The structure coordinates of HCV polymerase, for example, based on the structural coordinates of NS5B _{54 4} shown in Table 3, the virtual screening described above, it is also possible to continue to more efficiently design choice, or identify the inhibitors is there. (Example 7) Identification of HCV polymerase inhibitor (Example 3) results of the three-dimensional structural analysis of _{NS5B 570} at, for 545 of to 570 of the C-terminal structure of HCV polymerase _{NS5B 570} polypeptides, HCV polymerase It became clear that the structure was incorporated into a part of the RNA binding cleft. In addition, NS5
Comparison of the three-dimensional structure with B _{544 and the} like confirmed that the RNA-binding cleft incorporating the C-terminal structure was slightly narrower than those of NS5B ₅₄₄ , NS5B ₅₃₆ and NS5B ₅₃₁ in which the C-terminal was truncated. Was done. This is likened to a slightly closed glove. This confirmed that the RNA-binding cleft could be a target for inhibiting the activity of polylase. On the other hand, in the results of measuring the activity of HCV polymerase in (Example 5), NS5B ₅₉₁ and NS5B ₅₇₀
And NS5B ₅₅₂ , NS5B ₅₄₄ , NS5
HCV polymerase activity in B ₅₃₆ and _{NS5B 531} that increases revealed. Based on these facts, it was confirmed that the polypeptide at positions 545 to 570 or a compound having a three-dimensional structure similar thereto could be an HCV polymerase inhibitor. In addition, it is easily presumed that a fragment of the polypeptide at positions 545 to 570 also serves as an HCV polymerase inhibitor. NS5
Since the difference in the activity of HCV polymerase is observed between B ₅₅₂ and _{NS5B 544,} especially 545 of to 55
The polypeptide at position 2 and fragments thereof, or compounds containing them, are found to be effective as HCV polymerase inhibitors. Also, the program software QUANTA
From the results of computer analysis using a three-dimensional structure (manufactured by MSI), the polypeptide at positions 545 to 552 has a hydrophobic surface existing at the “boundary between the thumb site and the palm site”. And a high hydrophobic interaction. Further, among the polypeptides at positions 545 to 552, Leu at position 547 and T at position 550
rp and Phe at position 551 show strong interaction with the hydrophobic surface, Trp at position 550 and Ph at position 551
It was confirmed that e showed a particularly strong interaction. The “part at the boundary between the thumb part and the palm part” is, specifically,
Se at position 196 of the amino acid sequence of HCV polymerase
r, Pro at position 197, Ile at position 413, Met at position 414, Ile at position 447, Tyr at position 448, 452
Tyr, 454th Ile, 462th Ile and 4th
This represents a boundary site composed of Leu at position 66. This test result confirmed that the "site at the boundary between the thumb site and the palm site" or a site including a part thereof is a target of the HCV polymerase inhibitor. In particular, the polypeptides at positions 545 to 552 and fragments thereof, or compounds containing them, were confirmed to be effective as HCV polymerase inhibitors.

Next, a synthetic polypeptide in which Lys is added to both ends of the polypeptide at positions 546 to 551 (Lys
-Asp-Leu-Ser-Gly-Trp-Phe-
Lys) is synthesized by a conventional method, and HCV of the synthetic peptide is synthesized.
The inhibitory activity of the polymerase activity was measured. In particular,
The synthetic peptide and _{NS5B 544,} 25 ° C., 30 min, after pre-incubation was measured HCV polymerase activity in the same manner as Example 5. As a result, 40-50 at a final concentration of 30 μM of the synthetic peptide
% Inhibitory activity was found.

Industrial Applicability According to the present invention, it becomes possible to design or identify an HCV polymerase inhibitor using a computer or the like, and to design a compound and its analogous compounds rationally. In addition, it has become possible to efficiently evaluate the inhibitory activity of HCV polymerase activity, and it has become possible to evaluate the activity more efficiently by combining it with design or identification using a computer or the like.

[0075]

[Sequence List] SEQUENCE LISTING <110> Japan Tobacco, Inc. <120> HCV Polymerase Suitable For Crystal Structure Analysis And Method For Using The Enzyme <130> J00-0086 <140> <141> <150> JP P1999-188630 < 151> 1999-07-02 <150> JP P1999-192488 <151> 1999-07-07 <160> 10 <170> PatentIn Ver. 2.1 <210> 1 <211> 591 <212> PRT <213> Hepatitis C virus <400> 1 Ser Met Ser Tyr Thr Trp Thr Gly Ala Leu Ile Thr Pro Cys Ala Ala 1 5 10 15 Glu Glu Ser Lys Leu Pro Ile Asn Ala Leu Ser Asn Ser Leu Leu Arg 20 25 30 His His Asn Met Val Tyr Ala Thr Thr Ser Arg Ser Ala Gly Leu Arg 35 40 45 Gln Lys Lys Val Thr Phe Asp Arg Leu Gln Val Leu Asp Asp His Tyr 50 55 60 Arg Asp Val Leu Lys Glu Met Lys Ala Lys Ala Ser Thr Val Lys Ala 65 70 75 80 Lys Leu Leu Ser Val Glu Glu Ala Cys Lys Leu Thr Pro Pro His Ser 85 90 95 Ala Lys Ser Lys Phe Gly Tyr Gly Ala Lys Asp Val Arg Asn Leu Ser 100 105 110 Ser Lys Ala Val Asn His Ile His Ser Val Trp Lys Asp Leu Leu Glu 115 120 125 Asp Thr Val Thr Pro Ile Asp Thr Thr Ile Met Ala Lys Asn Glu Val 130 135 140 Phe Cys Val Gln Pro Glu Lys Gly Gly Arg Lys Pro Ala Arg Leu Ile 145 150 155 160 Val Phe Pro Asp Leu Gly Val Arg Val Cys Glu Lys Met Ala Leu Tyr 165 170 175 Asp Val Val Ser Thr Leu Pro Gln Val Val Met Gly Ser Ser Tyr Gly 180 185 190 Phe Gln Tyr Ser Pro Gly Gln Arg Val Glu Phe Leu Val Asn Thr Trp 195 200 205 Lys Ser Lys Lys Asn Pro Met Gly Phe Ser Tyr Asp Thr Arg Cys Phe 210 215 220 Asp Ser Thr Val Thr Glu Asn Asp Ile Arg Val Glu Glu Ser Ile Tyr 225 230 235 240 Gln Cys Cys Asp Leu Ala Pro Glu Ala Arg Gln Ala Ile Lys Ser Leu 245 250 255 Thr Glu Arg Leu Tyr Ile Gly Gly Pro Leu Thr Asn Ser Lys Gly Gln 260 265 270 Asn Cys Gly Tyr Arg Arg Cys Arg Ala Ser Gly Val Leu Thr Thr Ser 275 280 285 Cys Gly Asn Thr Leu Thr Cys Tyr Leu Lys Ala Ser Ala Ala Cys Arg 290 295 300 Ala Ala Lys Leu Gln Asp Cys Thr Met Leu Val Asn Gly Asp Asp Leu 305 310 315 320 Val Val Ile Cys Glu Ser Ala Gly Thr Gln Glu Asp Ala Ala Ser Leu 325 330 335 Arg Val Phe Thr Glu Ala Met Thr Arg Tyr Ser Ala Pro Pro Gly Asp 340 345 350 Pro Pro Gln Pro Glu Tyr Asp Leu Glu Leu Ile Thr Ser Cys Ser Ser 355 360 365 Asn Val Ser Val Ala His Asp Ala Ser Gly Lys Arg Val Tyr Tyr Leu 370 375 380 Thr Arg Asp Pro Thr Thr Pro Leu Ala Arg Ala Ala Trp Glu Thr Ala 385 390 395 400 400 Arg His Thr Pro Val Asn Ser Trp Leu Gly Asn Ile Ile Met Tyr Ala 405 410 415 Pro Thr Leu Trp Ala Arg Met Ile Leu Met Thr His Phe Phe Ser Ile 420 425 430 Leu Leu Ala Gln Glu Gln Leu Glu Lys Ala Leu Asp Cys Gln Ile Tyr 435 440 445 Gly Ala Cys Tyr Ser Ile Glu Pro Leu Asp Leu Pro Gln Ile Ile Glu 450 455 460 Arg Leu His Gly Leu Ser Ala Phe Ser Leu His Ser Tyr Ser Pro Gly 465 470 475 480 480 Glu Ile Asn Arg Val Ala Ser Cys Leu Arg Lys Leu Gly Val Pro Pro 485 490 495 Leu Arg Val Trp Arg His Arg Ala Arg Ser Val Arg Ala Arg Leu Leu 500 505 510 Ser Gln Gly Gly Arg Ala Ala Thr Cys Gly Lys Tyr Leu Phe Asn Trp 515 520 525 Ala Val Lys Thr Lys Leu Lys Leu Thr Pro Ile Pro Ala Ala Ser Gln 530 535 540 Leu Asp Leu Ser Gly Trp Phe Val Ala Gly Tyr Ser Gly Gly Asp Ile 545 550 555 560 Tyr His Ser Leu Ser Arg Ala Arg Pro Arg Trp Phe Met Leu Cys Leu 565 570 575 Leu Leu Leu Ser Val Gly Val Gly Ile Tyr Leu Leu Pro Asn Arg 580 585 590 <210> 2 <211> 1743 <212> DNA <213> Artificial Sequence <220> <223> Description of Artificial Sequence: DNA encoding fusion protein consisting of a portion of HCV polymerase and histidine tag at the C-terminus < 220> <221> CDS <222> (1) .. (1743) <400> 2 atg tca atg tcc tac aca tgg aca ggc gcc ttg atc acg cca tgc gct 48 Met Ser Met Ser Tyr Thr Trp Thr Gly Ala Leu Ile Thr Pro Cys Ala 1 5 10 15 gcg gag gaa agc aag ctg ccc atc aac gcg ttg agc aac tct ttg ctg 96 Ala Glu Glu Ser Lys Leu Pro Ile Asn Ala Leu Ser Asn Ser Leu Leu 20 25 30 cgc cac cat aac atg gtt tat gcc aca aca tct cgc agc gca ggc ctg 144 Arg His His Asn Met Val Tyr Ala Thr Thr Ser Arg Ser Ala Gly Leu 35 40 45 cgg cag aag aag gtc acc ttt gac aga ctg caa gtc ctg gac gac cac 192 Arg Gln Lys Lys Val Thr Phe Asp Arg Leu Gln V al Leu Asp Asp His 50 55 60 tac cgg gac gtg ctc aag gag atg aag gcg aag gcg tcc aca gtt aag 240 Tyr Arg Asp Val Leu Lys Glu Met Lys Ala Lys Ala Ser Thr Val Lys 65 70 75 80 gct aaa ctc cta tcc gta gag gaa gcc tgc aag ctg acg ccc cca cat 288 Ala Lys Leu Leu Ser Val Glu Glu Ala Cys Lys Leu Thr Pro Pro His 85 90 95 tcg gcc aaa tcc aag ttt ggc tat ggg gca aag gac gtc cgg aac cta 336 Ser Ala Lys Ser Lys Phe Gly Tyr Gly Ala Lys Asp Val Arg Asn Leu 100 105 110 tcc agc aag gcc gtt aac cac atc cac tcc gtg tgg aag gac ttg ctg 384 Ser Ser Lys Ala Val Asn His Ile His Ser Val Trp Lys Asp Leu Leu 115 120 125 gaa gac act gtg aca cca att gac acc acc atc atg gca aaa aat gag 432 Glu Asp Thr Val Thr Pro Ile Asp Thr Thr Ile Met Ala Lys Asn Glu 130 135 140 gtt ttc tgt gtc caa cca gag aaa gga ggc cgt aag cca gcc cgc ctt 480 Val Phe Cys Val Gln Pro Glu Lys Gly Gly Arg Lys Pro Ala Arg Leu 145 150 155 160 atc gta ttc cca gat ctg gga gtc cgt gta tgc gag aag atg gcc ctc 528 Ile Val Phe Pro Asp Leu Gly Val Arg Val Cys Glu Lys Met Ala Leu 165 170 175 tat gat gtg gtc tcc acc ctt cct cag gtc gtg atg ggc tcc tca tac 576 Tyr Asp Val Val Ser Thr Leu Pro Gln Val Val Met Gly Ser Ser Tyr 180 185 190 gga ttc cag tac tct cct ggg cag cga gtc gag ttc ctg gtg aat acc 624 Gly Phe Gln Tyr Ser Pro Gly Gln Arg Val Glu Phe Leu Val Asn Thr 195 200 205 tgg aaa tca aag aaa aac ccc atg ggc ttt tca tat gac act cgc tgt 672 Trp Lys Ser Lys Lys Asn Pro Met Gly Phe Ser Tyr Asp Thr Arg Cys 210 215 220 ttc gac tca acg gtc acc gag aac gac atc cgt gtt gag gag tca att 720 Phe Asp Ser Thr Val Thr Glu Asn Asp Ile Arg Val Glu Glu Ser Ile 225 230 235 240 tac caa tgt tgt gac ttg gcc ccc gaa gcc aga cag gcc ata aaa tcg 768 Tyr Gln Cys Cys Asp Leu Ala Pro Glu Ala Arg Gln Ala Ile Lys Ser 245 250 255 ctc aca gag cgg ctt tat atg ggg ggt cct ctg act aat tca aaa ggg 816 Leu Thr Glu Arg Leu Tyr Ile Gly Gly Pro Leu Thr Asn Ser Lys Gly 260 265 270 cag aac tgc ggt tat cgc cgg tgc cgc gcg agc ggc gtg ctg acg act 864 Gln Asn ly Tyr Arg Arg Cys Arg Ala Ser Gly Val Leu Thr Thr 275 280 285 agc tgc ggt aac acc ctc aca tgt tac ttg aag gcc tct gca gcc tgt 912 Ser Cys Gly Asn Thr Leu Thr Cys Tyr Leu Lys Ala Ser Ala Ala Cys 290 295 300 cga gct gcg aag ctc cag gac tgc acg atg ctc gtg aac gga gac gac 960 Arg Ala Ala Lys Leu Gln Asp Cys Thr Met Leu Val Asn Gly Asp Asp 305 310 315 320 ctc gtc gtt atc tgt gaa agc gc gag gac gcg gcg agc 1008 Leu Val Val Ile Cys Glu Ser Ala Gly Thr Gln Glu Asp Ala Ala Ser 325 330 335 cta cga gtc ttc acg gag gct atg act agg tac tcc gcc ccc ccc ggg 1056 Leu Arg Val Phe Thr Glu Ala Met Thr Arg Tyr Ser Ala Pro Pro Gly 340 345 350 gac ccg ccc caa cca gaa tac gac ttg gag ctg ata aca tca tgt tcc 1104 Asp Pro Pro Gln Pro Glu Tyr Asp Leu Glu Leu Ile Thr Ser Cys Ser 355 360 365 tcc aat gtg tcg gtc gcc cac gat gca tca ggc aaa agg gtg tac tac 1152 Ser Asn Val Ser Val Ala His Asp Ala Ser Gly Lys Arg Val Tyr Tyr 370 375 380 ctc acc cgt gat ccc acc acc ccc ctc gca cgg gct gcg tgg gag aca 1200 Leu Thr Arg Asp Pro Thr Thr Pro Leu Ala Arg Ala Ala Trp Glu Thr 385 390 395 400 gct aga cac act cca gtt aac tcc tgg cta ggc aac att att atg tat 1248 Ala Arg His Thr Pro Val Asn Ser Trp Leu Gly Asn Ile Ile Met Tyr 405 410 415 gcg ccc act ttg tgg gca agg atg att ctg atg act cac ttc ttc tcc 1296 Ala Pro Thr Leu Trp Ala Arg Met Ile Leu Met Thr His Phe Phe Ser 420 425 430 atc ctt cta gcg gag gag caa ctt gaa aaa gcc ctg gac tgc cag atc 1344 Ile Leu Leu Ala Gln Glu Gln Leu Glu Lys Ala Leu Asp Cys Gln Ile 435 440 445 tac ggg gcc tgt tac tcc att gag cca ctt gac cta cct cag atc att 1392 Cys Tyr Ser Ile Glu Pro Leu Asp Leu Pro Gln Ile 450 455 460 gaa cga ctc cat ggc ctt agc gca ttt tca ctc cat agt tac tct cca 1440 Glu Arg Leu His Gly Leu Ser Ala Phe Ser Leu His Ser Tyr Ser Pro 465 470 475 480 ggt gag atc aat agg gtg gct tca tgc ctc agg aaa ctt ggg gta cca 1488 Gly Glu Ile Asn Arg Val Ala Ser Cys Leu Arg Lys Leu Gly Val Pro 485 490 495 ccc ttg cga gtc tgg aga cat cg g gcc agg agc gtc cgc gct agg cta 1536 Pro Leu Arg Val Trp Arg His Arg Ala Arg Ser Val Arg Ala Arg Leu 500 505 510 ctg tcc cag ggg ggg agg gcc gcc act tgt ggc aag tac ctc ttc aac 1584 Leu Ser Gln Gly Gly Arg Ala Ala Thr Cys Gly Lys Tyr Leu Phe Asn 515 520 525 tgg gca gtg aag acc aaa ctc aaa ctc act cca atc ccg gct gcg tcc 1632 Trp Ala Val Lys Thr Lys Leu Lys Leu Thr Pro Ile Pro Ala Ala Ser 530 535 540 cag ctg gac ttg tcc ggc tgg ttc gtt gct ggt tac agc ggg gga gac 1680 Gln Leu Asp Leu Ser Gly Trp Phe Val Ala Gly Tyr Ser Gly Gly Asp 545 550 555 555 560 ata tat cac agc ctg tct cgt gcc gga tcc cat cac cat 1728 Ile Tyr His Ser Leu Ser Arg Ala Arg Pro Arg Gly Ser His His His 565 570 575 cac cat cac taa taa 1743 His His His 580 <210> 3 <211> 579 <212> PRT <213> Artificial Sequence <223> Description of Artificial Sequence: DNA encoding fusion protein consisting of a portion of HCV polymerase and histidine tag at the C-terminus <400> 3 Met Ser Met Ser Tyr Thr Trp Thr Gly Ala Leu I le Thr Pro Cys Ala 1 5 10 15 Ala Glu Glu Ser Lys Leu Pro Ile Asn Ala Leu Ser Asn Ser Leu Leu 20 25 30 Arg His His Asn Met Val Tyr Ala Thr Thr Ser Arg Ser Ala Gly Leu 35 40 45 Arg Gln Lys Lys Val Thr Phe Asp Arg Leu Gln Val Leu Asp Asp His 50 55 60 Tyr Arg Asp Val Leu Lys Glu Met Lys Ala Lys Ala Ser Thr Val Lys 65 70 75 80 Ala Lys Leu Leu Ser Val Glu Glu Ala Cys Lys Leu Thr Pro Pro His 85 90 95 Ser Ala Lys Ser Lys Phe Gly Tyr Gly Ala Lys Asp Val Arg Asn Leu 100 105 110 Ser Ser Lys Ala Val Asn His Ile His Ser Val Trp Lys Asp Leu Leu 115 120 125 Glu Asp Thr Val Thr Pro Ile Asp Thr Thr Ile Met Ala Lys Asn Glu 130 135 140 Val Phe Cys Val Gln Pro Glu Lys Gly Gly Arg Lys Pro Ala Arg Leu 145 150 155 160 Ile Val Phe Pro Asp Leu Gly Val Arg Val Cys Glu Lys Met Ala Leu 165 170 175 Tyr Asp Val Val Ser Thr Leu Pro Gln Val Val Met Gly Ser Ser Tyr 180 185 190 Gly Phe Gln Tyr Ser Pro Gly Gln Arg Val Glu Phe Leu Val Asn Thr 195 200 205 Trp Lys Ser Lys Lys Asn Pro Met Gly Phe Ser Tyr Asp Thr Arg Cys 210 215 220 Phe Asp Ser Thr Val Thr Glu Asn Asp Ile Arg Val Glu Glu Ser Ile 225 230 235 240 Tyr Gln Cys Asp Leu Ala Pro Glu Ala Arg Gln Ala Ile Lys Ser 245 250 255 Leu Thr Glu Arg Leu Tyr Ile Gly Gly Pro Leu Thr Asn Ser Lys Gly 260 265 270 Gln Asn Cys Gly Tyr Arg Arg Cys Arg Ala Ser Gly Val Leu Thr Thr 275 280 285 Ser Cys Gly Asn Thr Leu Thr Cys Tyr Leu Lys Ala Ser Ala Ala Cys 290 295 300 Arg Ala Ala Lys Leu Gln Asp Cys Thr Met Leu Val Asn Gly Asp Asp 305 310 315 320 Leu Val Val Ile Cys Glu Ser Ala Gly Thr Gln Glu Asp Ala Ala Ser 325 330 335 Leu Arg Val Phe Thr Glu Ala Met Thr Arg Tyr Ser Ala Pro Pro Gly 340 345 350 Asp Pro Pro Gln Pro Glu Tyr Asp Leu Glu Leu Ile Thr Ser Cys Ser 355 360 365 Ser Asn Val Ser Val Ala His Asp Ala Ser Gly Lys Arg Val Tyr Tyr 370 375 380 Leu Thr Arg Asp Pro Thr Thr Pro Leu Ala Arg Ala Ala Trp Glu Thr 385 390 395 400 Ala Arg His Thr Pro Val Asn Ser Trp Leu Gly Asn Ile Ile Met Tyr 405 410 415 Ala Pro Thr Leu Trp Ala Arg Met Ile Leu Met Thr His Phe Phe Ser 420 425 430 Ile Leu Leu Ala Gln Glu Gln Leu Glu Lys Ala Leu Asp Cys Gln Ile 435 440 445 Tyr Gly Ala Cys Tyr Ser Ile Glu Pro Leu Asp Leu Pro Gln Ile Ile 450 455 460 Glu Arg Leu His Gly Leu Ser Ala Phe Ser Leu His Ser Tyr Ser Pro 465 470 475 480 480 Gly Glu Ile Asn Arg Val Ala Ser Cys Leu Arg Lys Leu Gly Val Pro 485 490 495 Pro Leu Arg Val Trp Arg His Arg Ala Arg Ser Val Arg Ala Arg Leu 500 505 510 Leu Ser Gln Gly Gly Arg Ala Ala Thr Cys Gly Lys Tyr Leu Phe Asn 515 520 525 Trp Ala Val Lys Thr Lys Leu Lys Leu Thr Pro Ile Pro Ala Ala Ser 530 535 535 540 Gln Leu Asp Leu Ser Gly Trp Phe Val Ala Gly Tyr Ser Gly Gly Asp 545 550 555 560 Ile Tyr His Ser Leu Ser Arg Ala Arg Pro Arg Gly Ser His His 565 570 575 His His His <210> 4 <211> 30 <212> DNA <213> Artificial Sequence <220> <223 > Description of Artificial Sequence: Artificially synthesized primer sequence, 5BNde1FW. <220> <221> primer_bind <222> (1) .. (30) <400> 4 catatgtcaa tgtcctacac atggacagcc 30 <210> 5 <211> 57 <212> DNA <213> Artificial Sequ ence <220> <223> Description of Artificial Sequence: Artificially synthesized primer sequence, 5B570HRV. <220> <221> primer_bind <222> (1) .. (57) <400> > 6 <211> 57 <212> DNA <213> Artificial Sequence <220> <223> Description of Artificial Sequence: Artificially synthesized primer sequence, 5B552HRV. <220> <221> primer_bind <222> (1) .. (57 ) <400> 6 ttattagtga tggtgatggt gatgggatcc aacgaaccag ccggacaagt ccagctg 57 <210> 7 <211> 57 <212> DNA <213> Artificial Sequence <220> <223> Description of Artificial Sequence: Artificially synthesized primer sequence, 5B544HRV. <220> <221> primer_bind <222> (1) .. (57) <400> 7 ttattagtga tggtgatggt gatgggatcc ctgggacgca gccgggattg gagtgag 57 <210> 8 <211> 67 <212> DNA <213> Artificial Sequence <220> <223> Description of Artificial Sequence: Artificially synthesized primer sequence, 5B536HRV. <220> <221> primer_bind <222> (1) .. (67) <400> 8 ttattagtga tggtgatggt gatgggatcc gagttt gagt ttggtcttca ctgcccagtt 60 gaagagg 67 <210> 9 <211> 60 <212> DNA <213> Artificial Sequence <220> <223> Description of Artificial Sequence: Artificially synthesized primer sequence, 5B531HRV. <220> <221> primer_bind <222 > (1) .. (60) <400> 9 ttattagtga tggtgatggt gatgggatcc cttcactgcc cagttgaaga ggtacttgcc 60 <210> 10 <211> 52 <212> DNA <213> Artificial Sequence <220> <223> Description of Artificial Sequence: Artificially synthesized primer sequence, 5B591HRV. <220> <221> primer_bind <222> (1) .. (52) <400> 10 ttattaatgg tgatggtgat ggtgtccgga tcgattgggg agcaggtaga tg 52 <210> 11 <211> 9 <212> PRT <213> Artificial Sequence <400> 11 Xaa Xaa Xaa Leu Xaa Xaa Trp Phe Xaa 1 5 <210> 12 <211> 8 <212> PRT <213> Hepatitis C virus <400> 12 Lys Asp Leu Ser Gly Trp Phe Lys 1 5

[Brief description of the drawings]

FIG. 1 is a three-dimensional structural diagram showing a crystal structure obtained by visualizing the structural coordinates of HCV polymerase (NS5B ₅₇₀ ) created using a program software RasMol with a ribbon model.

FIG. 2 is a diagram schematically illustrating a three-dimensional crystal structure of HCV polymerase (NS5B ₅₇₀ ). The α-helix and β-sheet are indicated by consecutive alphabets and numbers, respectively.

FIG. 3 is a view showing a comparison of amino acid sequences of HCV polymerase, poliovirus polymerase, and HIV reverse transcriptase.

Figure 4 is a schematic diagram of a three-dimensional structure representing a position 547 or 556 of the polypeptide of HCV polymerase _{NS5B 570} in a space filling model. The right figure is obtained by rotating the left figure upward by 90 degrees.

────────────────────────────────────────────────── ───

[Procedure amendment]

[Submission date] August 31, 2000 (2000.8.3)
1)

[Procedure amendment 1]

[Document name to be amended] Statement

[Correction target item name] Claim 7

[Correction method] Change

[Correction contents]

[Procedure amendment 2]

[Document name to be amended] Statement

[Correction target item name] 0006

[Correction method] Change

[Correction contents]

Under such technical background, recently, H
Information on the results of research on crystal structure analysis of CV polymerase has begun to be disclosed. Nature Struct
ural Biology, 6 (10), 937-43
(Oct. 1999), a three-dimensional structure of NS5B is analyzed by X-ray structural analysis using a hexahistidine tag added to the N-terminal of NS5B consisting of a 570 amino acid sequence. Also, Proc. Natl. Ac
ad. Sci. USA, 96 (23), 13034-3
9 (Nov. 1999) shows a sequence of 531 amino acids, and the three-dimensional structure of NS5B is similarly analyzed. However, these are all documents published after the priority date of the present application. In addition, HC described in the literature
There is no description that V-polymerase is more active than the natural type HCV polymerase, and there is no description that it is useful for actual enzyme activity evaluation, nor is there any description suggesting that. On the other hand, WO99 / 43792 discloses, as a novel HCV polymerase useful for enzyme activity evaluation, HC5 having a glutathione S-transferase tag sequence added to the N-terminal of NS5B consisting of a 570 amino acid sequence and a mutant thereof.
V polymerase has been published. However, the publication does not disclose that the polymerase is useful for X-ray structure analysis or is suitable for crystallization, and also describes a method for identifying an HCV polymerase inhibitor using a three-dimensional structure. There is no statement suggesting that. It has been suggested that the C-terminal structure of HCV polymerase may auto-inhibit RNA replication (Structure, 7 (11), 141).
7-26 (Nov. 1999)) In fact, it has been reported that those with the C-terminal deleted have high RNA-dependent RNA polymerase activity (Journal of Vir.).
ology, 73, 1649-54 (Feb. 199).
9)), (Journal of General V
irology, 81, 759-767 (200
0)). However, NS5B ₅₃₆ (full length NS5
NS5B consisting of 536 amino acids with the C-terminus of B truncated, and so on) and NS5B
₅₂₈ merely shows that the activity is slightly higher than NS5B ₅₇₀ (about 1.3 to 1.4 times). NS5B ₅₉₁ (full length NS5B) and NS5B
_Only activity comparison with B570. Although these documents show that truncated NS5B retains polymerase activity, it does not show how to take advantage of the high polymerase activity and more efficiently evaluate the inhibition of HCV polymerase activity. In addition, by combining the method for identifying inhibitors based on the three-dimensional structure of HCV polymerase, HCV polymerase activity can be more efficiently inhibited.
No suggestion has been made to identify a compound having a harmful activity .

[Procedure amendment 3]

[Document name to be amended] Statement

[Correction target item name] 0015

[Correction method] Change

[Correction contents]

(7) The polypeptide according to any one of (1) to (6), wherein the NS5B has an amino acid sequence represented by SEQ ID NO: 1 .

[Procedure amendment 4]

[Document name to be amended] Statement

[Correction target item name] 0030

[Correction method] Change

[Correction contents]

"Natural HCV polymerase" is a full-length RNA-dependent RNA polymerase encoded by naturally-occurring hepatitis C virus RNA. "Native HCV polymerase" means the "HCV polymerase" described above, wherein methionine is not replaced with selenomethionine. The term "substrate", adenine, means guanine, cytosine, uridine and their ribonucleoside, a ribonucleoside triphosphate AT
P, GTP, CTP, UTP are preferred.

[Procedure amendment 5]

[Document name to be amended] Statement

[Correction target item name] 0033

[Correction method] Change

[Correction contents]

The term "amino acid sequence suitable for column purification" refers to a sequence which can specifically bind to a carrier used for the column in the purification of the polypeptide by an affinity column.
It may be an amino acid sequence that is easy to cut after column purification, or / and sequence does not interfere with crystallization of the polypeptide are preferred. For example, a histidine tag sequence and a glutathione S-transferase tag sequence are meant. The histidine tag requires four or more histidines, specifically, -Gly-Ser-His-His-His-.
His-His-His, -Gly-Ser-His-
His-Asp-His-His-His and the like.

[Procedure amendment 6]

[Document name to be amended] Statement

[Correction target item name] 0037

[Correction method] Change

[Correction contents]

[0037] The term "molecular replacement method", structure unknown Tampa a known protein structure that has the same function as the initial model
This is a method for determining the crystal structure of a matrix . The specific method is Experimental Chemistry Course 10, Diffraction, Chemical Society of Japan, 260-
263 (1992) or Methods in
Enzymology, 115, 55-77 (198
5), M.P. G. FIG. Rossman.

[Procedure amendment 7]

[Document name to be amended] Statement

[Correction target item name] 0038

[Correction method] Change

[Correction contents]

The term "co-complex" refers to a complex formed by HCV polymerase and a compound having or a putative inhibitory activity on HCV polymerase. It also includes complexes formed by RNA strands, substrates, and metals essential for the expression of HCV polymerase activity, such as manganese and magnesium. What the co-complex formed by co-crystal, HCV and HCV polymerase crystals
Some are obtained by immersion in a solution containing a compound having or suspected of inhibiting polymerase activity .

[Procedure amendment 8]

[Document name to be amended] Statement

[Correction target item name] 0040

[Correction method] Change

[Correction contents]

The “RNA binding cleft” is a part of HCV polymerase including an active site, and is an inner space composed of a finger part, a palm part, and a thumb part, which will be described later. It is a site that includes a space between template RNAs during RNA replication and can be a target for identification of HCV polymerase inhibitors. However,
As used herein, “RNA binding cleft” refers to a site that is different from the active site. Specific sites represented by the “RNA binding cleft” include the “active site”, the “space region inside the palm region”, and the “site at the boundary between the thumb region and the palm region”.

[Procedure amendment 9]

[Document name to be amended] Statement

[Correction target item name] 0048

[Correction method] Change

[Correction contents]

The conditions for HCV polymerase “suitable for crystal structure analysis” include that the HCV polymerase is easily purified. One embodiment of the HCV polymerase has been substituted with an amino acid suitable for column purification. This sequence facilitates purification and is suitable for mass production. Here, it is preferable that the amino acid sequence of the HCV polymerase suitable for crystallization is a sequence that easily cleaves the amino acid after column purification and / or does not hinder the crystallization of the HCV polymerase. Purification without using a surfactant is very preferable in performing crystallization after purification. "Suitable for crystal structure analysis"
Other conditions for HCV polymerase include that crystals are easy to obtain, the quality of the obtained crystals is good, and the obtained crystals are not easily broken. Easier to obtain crystals means that the crystallization operation is easy, the crystallization conditions are simple, and slight differences in the crystallization conditions, such as temperature, solvent type, concentration, pH, etc. And the difference is small and crystals can be obtained. Good crystal quality means that large crystals are selected with few lattice defects. The fact that the obtained crystal is not easily broken means that the crystal is hardly dissolved due to a change in temperature, type of solvent, concentration, pH and the like. Another condition is that the fluctuation of the crystallized polymerase molecule or the partial structure in the molecule is small. HCV obtained
Polymerases can be used, for example, to grow crystals by vapor diffusion and analyze the crystal structure. In addition, a co-crystal with a compound having an activity of inhibiting HCV polymerase activity or a crystal obtained by immersing (soaking) the polymerase in the compound solution can be used for co-complex crystal analysis.

[Procedure amendment 10]

[Document name to be amended] Statement

[Correction target item name] 0052

[Correction method] Change

[Correction contents]

Each crystal is obtained by vapor-diffusing the native HCV polymerase and the selenomethionine HCV polymerase, respectively. Native H
Crystals of CV polymerase are immersed in platinum, uranium and osmium to obtain the respective heavy atom substitutes . Next, the structural coordinates are obtained by calculating the diffraction intensity of the obtained heavy atom-substituted crystal and calculating the phase angle by the multiple heavy atom isomorphous substitution method. According to the definition of the multiple heavy atom isomorphous substitution method, the structure factor (FPH) from a crystal to which a heavy atom is added and the structure factor (FP) of native crystal data
And the contribution (FH) of the introduced heavy atom has a relationship of FPH = FP + FH for each reflection. | FPH | and | FP | are numerical values obtained from experiments. The position of heavy atoms is determined from these data, and the phase angle of each reflection can be determined by obtaining | FH |. The structure of the HCV polymerase can then be determined by determining the electron density. These calculations are performed by the program software DENZO, S
Helx, MLPHARE, SHARP, DM, O, etc. may be used. In general, it is known that even if the position of each atom in the structure coordinates is slightly changed on a computer, the structure does not significantly change and the activity of the protein is not inactivated. Accordingly, the structural coordinates substantially equivalent to the structural coordinates of the HCV polymerase of the present invention include derivative structural coordinates created by artificially processing using the HCV polymerase structural coordinates. Preferably, when the position of the atom is superimposed on the original structural coordinates, the residual mean square error is ± 0.5 ° or less, more preferably ± 0.2 °.
Includes those fluctuated in the following ranges.

[Procedure amendment 11]

[Document name to be amended] Statement

[Correction target item name] 0053

[Correction method] Change

[Correction contents]

Iii) Determination of “active site” and “RNA binding cleft” of HCV polymerase The active site of HCV polymerase can be specified or estimated from the three-dimensional structure and amino acid sequence obtained by crystal structure analysis of HCV polymerase. . These identifications and estimates include:
The amino acid sequence and three-dimensional structure of a polypeptide having a known similar function can be referred to. In addition, based on the obtained three-dimensional structure, it is possible to estimate a part that can be a target of HCV polymerase activity inhibition in addition to the active site .
Can be. The structural coordinates of HCV polymerase obtained as a result of the structural analysis can be used, for example, as follows. (A) Analyze the crystal structure of the HCV polymerase mutant. (B) Analyze the crystal structure of the co-complex in which the HCV polymerase and the inhibitor are bound. (C) Evaluate the suitability of the test compound for the HCV polymerase active site and / or RNA binding cleft .

[Procedure amendment 12]

[Document name to be amended] Statement

[Correction target item name] 0054

[Correction method] Change

[Correction contents]

Iv) Crystal structure analysis of HCV polymerase mutant or co-complex It is possible to determine the crystal structure of HCV polymerase mutant or co-complex based on the structural coordinates of HCV polymerase shown in Table 2 or Table 3. it can. The co-complex structural coordinates are
HCV polymerase active site and / or RNA binding
This can be important information in improving the quality of the design and evaluation of compounds that are compatible with the left . In the molecular replacement method, the rotation function is calculated from the crystal diffraction intensity data of HCV polymerase and the HCV polymerase mutant or co-complex to determine the orientation of the molecule, and the translation function (Acta Crystal) is used.
llogr. , 23, 544 (1967)) to determine the position of the molecule. This method uses the program software CCP4 (Countil for the
central Laboratory of the
Amore of Research Councils)
It can be calculated using Almn or the like of CCP4.

[Procedure amendment 13]

[Document name to be amended] Statement

[Correction target item name] 0055

[Correction method] Change

[Correction contents]

V)Design of HCV polymerase inhibitoras well as
HCV polymerase activityEvaluation of inhibitory activity  The active site of HCV polymerase is where RNA replication takes place.
Structurally,Compatible with active site
DoCompounds can inhibit HCV polymerase activity
Is estimated to be high. HCV poly in addition to the active site
Potential targets for inhibition of merase activity, such as
For example, compounds that are compatible with RNA binding clefts
It is also presumed to indirectly inhibit polymerase activity.
It is. The spatial region inside the palm region is involved in RNA replication.
This is not the region to be given, but when RNA replication is performed
Because it is considered to be a gap that can be
Compounds that are compatible in the spatial area inside the
It is also presumed to indirectly inhibit polymerase activity.
It is. Such an active site andTertiary RNA binding cleft
Original structure informationCalculates HCV polymerase inhibitors
It has an important meaning in designing and identifying data. sand
In other words, HCV polymerase inhibition by computer, etc.
The active site of the agent and / orFit for RNA binding cleft
sexFor example, it is possible to compare the binding stability.
Also, the active site and / orCompatible with RNA binding cleft
HavingLead compound design and its peripheralization
The compound can be designed rationally. Furthermore, synthesis
The likelihood of performing useless synthesis during deployment is reduced,
The actual enzyme evaluation can be performed efficiently. H
The active site of CV polymerase and / orRNA binding
SuitabilityFor example, using a computer, DO
Virtual screening such as CK4 (UCSF)
HCV polymerase structure coordinates and test compounds
Enter the structural coordinates of the product and check if the test compound is an HCV polymer.
The active site and / orGet into the RNA binding cleft
StateIs a number that is sterically structurally and energetically stable.
It can be obtained as a value or a visual model. Ma
Using part of the structural coordinates of HCV polymerase,
The suitability of a test compound can also be determined in a similar manner. Birch
DOCK4 and other
FLEXYDOCK (manufactured by Tripos)
Can be. The structural coordinates of the test compound are
The one obtained from the database where the structure is registered
It may be used. In addition, Quanta (manufactured by MSI), S
ybyl (manufactured by Tripos), Insight II
3D structure using program software such as (MSI)
Data obtained by calculation may be used. Like this
Active site of HCV polymerase obtained byR
Suitability of test compound for NA binding cleftCompare
AndInhibitory activity of HCV polymerase activityEvaluate
Can be. In addition, the active site of HCV polymerase and
/ OrCompatible with RNA binding cleftLike, test
CompoundBased on structureInhibitor molecular design
Wear. Such molecular design can be performed using the program software
Quanta, Sybyl, Insight II, D
Perform using OCK4, FLEXY DOCK, etc.
Can be.

[Procedure amendment 14]

[Document name to be amended] Statement

[Correction target item name] 0056

[Correction method] Change

[Correction contents]

Vi) Method of Evaluating Actual Inhibitory Activity of HCV Polymerase Activity H evaluated by the virtual screening described above
CV polymerase active site and / or RNA binding
A compound that is compatible with DNA is obtained, and the obtained compound is converted into RNA as a template and ribonucleoside as a substrate.
What is necessary is just to make it contact with HCV polymerase in presence of triphosphate (rNTP), and just to measure the inhibitory activity with respect to HCV polymerase.

[Procedure amendment 15]

[Document name to be amended] Statement

[Correction target item name] 0057

[Correction method] Change

[Correction contents]

Hereinafter, the present invention will be described in detail. (Example 1) Native HCV polymerase (NS5
The _B570 ) expressed / purified gene fragment was obtained from pDM22 inserted with HCV-BK type virus cDNA purchased from Osaka University
5BNde1FW (SEQ ID NO: 4) and 5B570H
Using RV (SEQ ID NO: 5), GSHHHHH
A histidine-tagged DNA fragment having the amino acid sequence of H (SEQ ID NO: 2) was obtained. The obtained fragment was inserted into a pCR2.1 vector (manufactured by INVITROGEN), and after confirming the gene sequence, a fragment of about 1.8 kDa was obtained by partial digestion with Nde1 and EcoR1. The obtained fragment was transformed into a vector having a T7 promoter.
Escherichia coli BL21 (DE3) (manufactured by NOVAGEN) was transformed by insertion into the Nde1 and EcoR1 sites of pET17b (manufactured by NOVAGEN). The transformant was cultured in 2xYT medium at 30 ° C, and when OD620 = 0.8-1.0, IPTG (manufactured by Nacalai) was added to a final concentration of 0.5 mM, and the production of the target protein was induced at 30 ° C for 3 hours. Was performed. The resulting culture was disrupted with a microfluidizer, and the soluble fraction was added to Ni-NTA agarose (QI
AGEN) column chromatography and Mono-S 5/5
Perform column chromatography (manufactured by PHARMACIA).
It was isolated and purified by gel filtration using ephacryl S-200 (manufactured by PHARMACIA). When the amino acid sequence of the obtained native HCV polymerase was examined, N-terminal Met was cleaved. Amino acid sequence of the resulting NS5B ₅₇₀ is equivalent to that obtained by adding the histidine tag at the 1-position to 570 position of the amino acid sequence of the amino acid sequence shown in SEQ ID NO: 1. Similarly, _{NS5B 552} from primer 5B552HRV (SEQ ID NO: 6), primers 5B544HRV (SEQ ID NO: 7)
More _{NS5B 544, NS5B 536} from primer 5B536HRV (SEQ ID NO: 8), NS5B _{5 31} than primer 5B531HRV (SEQ ID NO: 9) to give the _{NS5B 591} from primer 5B591HRV (SEQ ID NO: 10). However, the amino acid sequence of the histidine tag of the obtained _{NS5B 544} is, GS
HHDHHH. NS5B including full length of natural NS5B
_In the purification of ₅₉₁ , a surfactant (CHAPS) and glycerol were added.
(U) -Sepharose4B (manufactured by PHARMACIA) column chromatography was used. Expression and purification of heavy-substituted selenomethionine substitution A 1.8 kDa fragment obtained from pDM22 was inserted into the Nde1 and EcoR1 sites of pET17b (manufactured by NOVAGEN) in the same manner as in the expression and purification of native HCV polymerase, and E. coli B834 (DE3 ) (NOV
(AGEN) was transformed. Following the transformants obtained
Cultured at 30 ° C using a selenomethionine replacement medium ,
When OD620 = 0.8-1.0, IPTG was added to a final concentration of 0.5 mM, production of the target protein was induced at 30 ° C. for 3 hours, and the soluble fraction was purified in the same manner as native HCV polymerase.

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Crystallization conditions for NS5B ₅₄₄ Protein solution: A solution in which NS5B ₅₄₄ is dissolved in a 5 mM aqueous solution of DTT (dithiothreitol) to a concentration of 10 ± 3 mg / ml. Precipitant solution: aqueous solution containing 2.0-5.0% (w / v) polyethylene glycol 8000, 5% (v / v) isopropanol, 0.1 M sodium citrate buffer (pH 5.5-6.5). Crystallization temperature: 4 ± 2 ° C. NS5B ₅₄₄ , NS5B
₅₃₆ and NS5B ₅₃₁ crystals were obtained. NS5B
Table 1 shows the crystallographic parameters of ₅₇₀ and NS5B _544.
Shown in The crystallographic parameters of NS5B ₅₃₆ and NS5B ₅₃₁ were similar to those of NS5B ₅₄₄ .

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Example 3 Crystal Structure Analysis of HCV Polymerase Crystals of native HCV polymerase (NS5B ₅₇₀ ) were immersed in a precipitant solution containing the heavy atoms of platinum, uranium or osmium under the crystallization conditions of NS5B ₅₇₀ described above. Each heavy atom substitution product was obtained. Selenomethionine HCV polymerase was also crystallized by vapor diffusion. The resulting native HCV polymerase (NS
_5B570 ), a heavy metal substitution product of platinum, a heavy atom substitution product of uranium, a heavy atom substitution product of osmium, and a selenomethionine HCV polymerase. , SPrin
Diffraction intensity was measured using BL-8X45 of g-8 to determine diffraction intensity. The X-ray data of the platinum heavy atom substitution product, the uranium heavy atom substitution product and the osmium heavy atom substitution product were obtained by using the program software DENSO (HKL) and the program software CCP4 (Council for the C).
central Laboratory of the
Scala, F of Research Councils
HSCAL, treated with SCALEIT, by combining the scale against the native HCV polymerase _{(NS5B 570)} crystal diffraction intensity, was comparable diffraction intensity to each other. The first heavy atom positions are uranium heavy atom replacement, osmium heavy atom replacement, native HC
V-Polymer (NS5B ₅₇₀ ) crystal data from the program software Shelex (Professor Sh)
eldrick; Crystalgraphic
Computing 3, Claradon Pre
ss, Oxford 184-189 (1985))
Was determined. Then, the program software MLPHARE and SHARP (Laborator) in CCP4
Using y of Molecular Biology), the precise position of each heavy atom was determined and the initial phase angle was calculated. Next, the first phase improvement and the phase extension up to 2.5 ° were calculated using the program software DM in CCP4, and a Fourier map was created. Selenomethionine HCV polymerase (NS5B ₅₇₀ ) has 12 Met in the corresponding amino acid sequence shown in SEQ ID NO: 1.
Has been replaced by selenomethionine. For this selenomethionine HCV polymerase, a difference free map was created using the phase determined above. Eleven peaks corresponding to selenium atoms were confirmed, and the wavelength λ of X-ray
Diffraction intensity data measured at 1.0400 ° and λ = 0.
A difference Fourier map of the diffraction intensity data measured at 9797 ° was used as a guide for structure determination. Based on the obtained Fourier map, the program software O (DatOno)
The structure of HCV polymerase was determined by AB).
Next, the refinement was performed using the program software X-PLOR98.
(MSI) torsion angle
Or maximum likelihood refinement (maximum likel)
iodine refining). Program software PROCHECK (J. App
l.Cryst. 26, 283-290 (1993))
Ramachandran Plot by Ramachan
As a result, no amino acid residue having an unacceptable structure was found. Table 2 shows structural coordinates
Shown in The meaning of each symbol in the table will be described. (Atom type: In order from the left, the serial number of the atom included in the coordinates, the type of atom and its position in the amino acid, the type of amino acid containing the atom, the number: the residue number of the amino acid containing the atom, X, Y and Z: atomic coordinates, Occ: occupancy, B: temperature factor) Also, NS5B ₅₄₄ , N obtained by the molecular replacement method
Table 3 shows the structural coordinates of NS5B ₅₄₄ in S5B ₅₃₆ and NS5B ₅₃₁ . Note that NS5B ₅₃₆ and NS5B
The structural coordinates of 5B ₅₃₁ were similar to those shown in Table 3.

[Procedure amendment 18]

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[Correction target item name] 0067

[Correction method] Change

[Correction contents]

(Example 4) Activity of HCV polymerase
Parts andDetermination of RNA binding cleft  The obtained HCV polymerase (NS5B₅₇₀, NS5
B₅₄₄, NS5B_{5 36}, NS5B₅₃₁) 3D
Consideration on structure, 3D structure between each HCV polymerase
Consideration on structural changes and proteins with similar functions
By comparing the three-dimensional structure with the quality, the activity of HCV polymerase
Sex site andDetermination of RNA binding cleftWas done. HCV
The palm site of the polymerase contains HIV reverse transcriptase, E. coli.
coli or Taq DNA-dependent DNA polymerase
And a structure similar to T7 DNA-dependent polymerase
It turned out to be. From this, the known palm part
Between the active site and the palm site of HCV polymerase.
Comparison of the amino acid residues
Aspa at positions 220, 318 and 319 of the amino acid sequence
Laginic acid, Lys at position 141 and Arg at position 158
And / or (2) Ser at position 282,
It is composed of Thr at position 287 and Asn at position 291.
Judging and presuming that the shallow hydrophilic cavity is the "active site"
Was. Asp at position 225 is position 115 of HIV reverse transcriptase
And binds due to this amino acid difference
It is assumed that the substrate selects rNTP or dNTP.
Can be Arg at position 158 of the finger site and 1
Lys at position 41 is also HCV polymerase and HIV reverse transcriptase
Amino acid residues conserved between amino acids
Is considered to have an important role in such cases. Also, HC
The sum site of V polymerase is structurally a palm site and
Can move relative to the finger site,
The space inside the palm part changes. This movement is
The lobes can be compared to closed and open states.
Wear.This space is from a three-dimensional structure, Amino acid position 197
From 223, from 310 to 325 and 348
From the region at position 366. The territory
The area is referred to as a “space part inside the palm part”. This space
Compounds present in the
It is thought to inactivate the activity. Therefore,"Palm site
The space inside the "HCV polylase activity inhibitor
Can be reasonably targetedPresumed. In addition,
This space, despite some structural distortions,RNA
Part of the binding siteIt is assumed that these
The region contains 1-20 amino acids, preferably 1-10
And more preferably about 1 to 5
I will. Figure 3 shows HCV polymerase and poliovirus
Compare the amino acid sequences of limerase and HIV reverse transcriptase
Are shown. In the figure, HCV denotes HCV polymerase, P
OLIO converts poliovirus polymerase into HIVRT
Represents HIV reverse transcriptase. Also, the underlining of the array
Has been clarified by previous crystallographic analysis.
Represents the missing part. As is clear from these amino acid sequences
And these only from the two-dimensional structureActive site / RNA binding
Estimate leftIt is difficult.

[Procedure amendment 19]

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[Correction method] Change

[Correction contents]

[0068] As a result of the three-dimensional structural analysis of the _{NS5B 570,}
Polypeptide of 545 of to 570 of the C-terminal structure of HCV polymerase _{NS5B 570} is the HCV polymerase itself, incorporated into a part of the RNA binding cleft
To become that structure was revealed. FIG. 4 shows a schematic diagram in which the C-terminal structure is emphasized. Further, the RNA-binding cleft in which the C-terminal structure has been incorporated is NS5B ₅₄₄ , NS5B which is NS5B whose C-terminal is truncated.
₅₃₆ and NS5B ₅₃₁ were narrower than those of NS5B ₅₃₁ and it was confirmed that the glove was in a slightly closed state. This supports that the RNA-binding cleft can be a target for inhibiting the activity of polylase.

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[Correction method] Change

[Correction contents]

Example 5 Evaluation of HCV Polymerase Activity Synthesis of Template RNA A DNA fragment (148 bp) containing the polyU and 3′X sequences was synthesized using synthetic primers designed based on the 3 ′ untranslated region sequence of the HCV genome. ) Is completely synthesized and the plasmid pBluesc
It was cloned into ript SK II (+) (Stratagene). The cDNA encoding full-length NS5B prepared in the same manner as in Example 1 was digested with the restriction enzyme KpnI to obtain a cDNA fragment consisting of the nucleotide sequence from the restriction enzyme cleavage site to the termination codon. This cDNA fragment is called pBluescript
It was inserted and connected upstream of the 3 ′ untranslated region DNA of SK II (+). A total of about 450 bp DNA inserted in this way
The sequence was used as a template for preparing the template RNA. The plasmid was cleaved immediately after the 3'X sequence, linearized, purified by phenol / chloroform treatment, and ethanol precipitation to recover DNA. Using the purified DNA as a template, the promoter of pBluescript SK II (+)
EGAscript RNA Synthesis Kit (Ambion
Run-o using T7 RNA polymerase
RNA synthesis was performed by the ff method (37 ° C., 3 hours). Then, after adding DNase I and incubating for 1 hour, the template DNA was decomposed and removed to obtain a crude RNA product. The crude product was treated with phenol / chloroform and purified by ethanol precipitation to obtain the target template RNA. The quality of the RNA
After confirming by formaldehyde denaturing agarose gel electrophoresis, it was stored at -80 ° C. The RNA is a preferred template RNA for performing highly sensitive polymerase activity measurement.
is there.

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[Correction method] Change

[Correction contents]

Measurement of HCV polymerase activity A reaction solution (30 μl) having the following composition was reacted at 25 ° C. for 90 minutes. Next, a 10% trichloroacetic acid and 1% sodium pyrophosphate solution (150 μl) at 4 ° C. was added to the reaction solution.
Was added to stop the reaction, and the mixture was allowed to stand on ice for 15 minutes to insolubilize RNA. Then, the RNA is subjected to suction filtration to a glass filter (eg, Whatman GF / C).
Trapped. The filter was washed with a solution consisting of 1% trichloroacetic acid and 0.1% sodium pyrophosphate, then washed with 90% ethanol and dried. A liquid scintillation cocktail (Packard) was added, and the radioactivity of the RNA synthesized by the enzymatic reaction was measured with a liquid scintillation counter. Activity of HCV polymerase, the radioactivity in the enzymatic reaction of _{NS5B 591} as a reference, the radiation in the enzymatic reaction of the NS5B
It was calculated from the activity value. Table 4 shows the results. Reaction solution: HCV polymerase (1 μg / ml) obtained in (Example 1), template RNA obtained in (Example 5)
(10 μg / ml), ATP (50 μM), GTP (5
0 μM), CTP (50 μM), UTP (2 μM),
[5,6- ³ H] UTP (46 Ci / mmol (Ame
rsham), 1.5 μCi) 20 mM Tris-
HCl (pH 7.5), EDTA (1 mM), MgCl
₂ (5 mM), NaCl (50 mM), DTT (1 m
M), BSA (0.01%)

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[Correction method] Change

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(Example 6) HCV polymerase useful for measuring the activity of HCV polymerase Based on the above results, NS5B ₅₄₄ , NS5B ₅₃₆ and NS5B ₅₃₁ were obtained from the natural HCV polymerase NS5B.
Even when compared with _591, even compared to _{NS5B 570,} both showed high HCV polymerase activity, it was known to have a comparison with more than 20 times higher polymerase activity and NS5B _{59 1} Surprisingly. In activity determination of these HCV polymerase, _{the NS5B 552} does not exhibit high activity, and, in the crystal structure analysis (Example 3) NS5
526 of the 517 position of the amino acid sequence of the B In view that known to be a helical structure which is one of the secondary structure with a key role in maintaining the conformation of the protein, NS5B _{5 26} HCV polymerase having an amino acid sequence of NS5B ₅₅₁ is presumed to have high HCV polymerase activity. These high HCV
NS5B ₅₄₄ and NS5B having polymerase activity
₅₃₆ and NS5B ₅₃₁ are very useful in evaluating the inhibitory activity in vitro, in determining the degree of inhibition of a candidate inhibitor compound, and are effective for HCV
It is possible to design or identify limerase inhibitors . Also, the structural coordinates of HCV polymerase, for example,
Based on the structural coordinates of NS5B _{54 4} shown in Table 3, the virtual screening described above, more efficiently the
It is also possible to design or identify inhibitors . (Example 7) Identification of HCV polymerase inhibitor (Example 3) results of the three-dimensional structural analysis of _{NS5B 570} at, for 545 of to 570 of the C-terminal structure of HCV polymerase _{NS5B 570} polypeptides, HCV polymerase It became clear that the structure was incorporated into a part of the RNA binding cleft. In addition, NS5
Comparison of the three-dimensional structure with B _{544 and the} like confirmed that the RNA-binding cleft incorporating the C-terminal structure was slightly narrower than those of NS5B ₅₄₄ , NS5B ₅₃₆ and NS5B ₅₃₁ in which the C-terminal was truncated. Was done. This is likened to a slightly closed glove. This confirmed that the RNA-binding cleft could be a target for inhibiting the activity of polylase. On the other hand, in the results of measuring the activity of HCV polymerase in (Example 5), NS5B ₅₉₁ and NS5B ₅₇₀
And NS5B ₅₅₂ , NS5B ₅₄₄ , NS5
HCV polymerase activity in B ₅₃₆ and _{NS5B 531} that increases revealed. Based on these facts, it was confirmed that the polypeptide at positions 545 to 570 or a compound having a three-dimensional structure similar thereto could be an HCV polymerase inhibitor. In addition, it is easily presumed that a fragment of the polypeptide at positions 545 to 570 also serves as an HCV polymerase inhibitor. NS5
Since the difference in the activity of HCV polymerase is observed between B ₅₅₂ and _{NS5B 544,} especially 545 of to 55
The polypeptide at position 2 and fragments thereof, or compounds containing them, are found to be effective as HCV polymerase inhibitors. Also, the program software QUANTA
From the results of computer analysis using a three-dimensional structure (manufactured by MSI), the polypeptide at positions 545 to 552 has a hydrophobic surface existing at the “boundary between the thumb site and the palm site”. And a high hydrophobic interaction. Further, among the polypeptides at positions 545 to 552, Leu at position 547 and T at position 550
rp and Phe at position 551 show strong interaction with the hydrophobic surface, Trp at position 550 and Ph at position 551
It was confirmed that e showed a particularly strong interaction. The “part at the boundary between the thumb part and the palm part” is, specifically,
Se at position 196 of the amino acid sequence of HCV polymerase
r, Pro at position 197, Ile at position 413, Met at position 414, Ile at position 447, Tyr at position 448, 452
Tyr, 454th Ile, 462th Ile and 4th
This represents a boundary site composed of Leu at position 66. This test result confirmed that the "site at the boundary between the thumb site and the palm site" or a site including a part thereof is a target of the HCV polymerase inhibitor. In particular, the polypeptides at positions 545 to 552 and fragments thereof, or compounds containing them, were confirmed to be effective as HCV polymerase inhibitors.

[Procedure amendment 23]

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[Correction target item name] Brief description of drawings

[Correction method] Change

[Correction contents]

[Brief description of the drawings]

FIG. 1 is a three-dimensional structural diagram in which the structural coordinates of HCV polymerase (NS5B ₅₇₀ ) created using a program software RasMol are visualized by a ribbon model.

FIG. 2: Tertiary HCV polymerase (NS5B ₅₇₀ )
The figure which modeled the original structure . The α-helix and β-sheet are indicated by consecutive alphabets and numbers, respectively.

FIG. 3 is a diagram comparing the amino acid sequences of HCV polymerase, poliovirus polymerase, and HIV reverse transcriptase.

Figure 4 is a schematic diagram of a three-dimensional structure representing a position 547 or 556 of the polypeptide of HCV polymerase _{NS5B 570} in a space filling model. The right figure is obtained by rotating the left figure upward by 90 degrees.

──────────────────────────────────────────────────の Continued on the front page (51) Int.Cl. ⁷ Identification symbol FI Theme coat ゛ (Reference) C12N 9/12 C12N 9/99 9/99 C12Q 1/48 Z C12Q 1/48 G01N 33/15 Z G01N 33 / 15 33/50 Z 33/50 33/68 33/68 A61K 37/64

Claims (18)

[Claims] 1. A polypeptide derived from HCV polymerase NS5B, which has an HCV polymerase activity and has an amino acid sequence consisting of XY, wherein X is a part of NS5B continuous In the amino acid sequence, the N-terminal amino acid of X is the amino acid at position 1 (Ser) of NS5B, and the C-terminal amino acid residue of X is position 531 (Lys) to 570 (A) of NS5B.
rg) is any amino acid residue. Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. ｝. 2. The method according to claim 2, wherein the C-terminal amino acid residue of X is the NS
The polypeptide according to claim 1, which is any amino acid residue from position 536 (Leu) to position 552 (Val) of 5B. 3. The method according to claim 3, wherein the amino acid residue at the C-terminus of X is the NS
The polypeptide according to claim 2, which is any amino acid residue from position 536 (Leu) to position 544 (Gln) of 5B. 4. The method according to claim 1, wherein the C-terminal amino acid residue of X is the NS
The polypeptide according to claim 2, which is any amino acid residue from position 531 (Lys) to position 544 (Gln) of 5B. 5. The method according to claim 1, wherein methionine in the amino acid sequence of X is
The polypeptide according to any one of claims 1 to 4, wherein the polypeptide is substituted with selenomethionine. 6. The polypeptide according to claim 1, wherein said Y is another amino acid sequence not derived from NS5B, and said other amino acid sequence is an amino acid sequence suitable for column purification. 7. The polypeptide according to claim 1, wherein said NS5B has an amino acid sequence shown in Sequence Listing 1. 8. The polypeptide according to claim 1, wherein the polypeptide is specified by three-dimensional structural coordinates shown in Table 2 or Table 3. 9. A crystal comprising a plurality of polypeptides according to any one of claims 1 to 8. 10. A DNA encoding the polypeptide according to any one of claims 1 to 8. 11. A co-complex or said N-complex by the molecular replacement method using the three-dimensional structural coordinates of HCV polymerase NS5B.
A method for determining three-dimensional structural coordinates of a mutant of S5B. 12. A method for designing or identifying an HCV polymerase inhibitor, which comprises the following polypeptide: a polypeptide derived from HCV polymerase NS5B,
A polypeptide having CV polymerase activity and having an amino acid sequence consisting of XY, wherein X is the NS5B
The N-terminal amino acid of X is the amino acid at position 1 (Ser) of the NS5B, and the C-terminal amino acid residue of X is positions 531 (Lys) to 570 of the NS5B. Any amino acid residue at position (Arg). Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine. Determining the suitability of the test compound for the active site and / or RNA binding cleft of the polypeptide using the three-dimensional structure coordinates of｝ or a portion thereof and the three-dimensional structure coordinates of the test compound. The method characterized by the above. 13. A method for designing or identifying an HCV polymerase inhibitor, comprising: (a) the following polypeptide: HCV polymerase NS5B
A polypeptide having HCV polymerase activity and having an amino acid sequence consisting of XY, wherein X is a partial continuous amino acid sequence of NS5B, The terminal amino acid is the NS5
The amino acid residue at position 1 (Ser) of B; the amino acid residue at the C-terminus of X is from position 531 (Lys) to 57 of NS5B;
Any amino acid residue at position 0 (Arg). Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X may be mutated, and methionine in the amino acid sequence of X may be substituted with selenomethionine.三 three-dimensional structural coordinates or a part thereof,
Using the three-dimensional structural coordinates of the test compound to determine the suitability of the test compound for the active site of the polypeptide and / or RNA binding cleft; (b) determining the inhibitory activity of the test compound on the HCV polymerase activity And (c) using the compatibility data of the test compound determined in (a) above and the inhibitory activity data determined in (b) above to further design or identify an HCV polymerase inhibitor. 14. The three-dimensional structural coordinate of the polypeptide,
The method according to any one of claims 11 to 13, wherein the coordinates are three-dimensional structural coordinates shown in Table 2 or Table 3. 15. A method for identifying an HCV polymerase inhibitor, comprising the steps of: (a) the following polypeptide: HCV polymerase NS5B
A polypeptide having HCV polymerase activity and an amino acid sequence consisting of X′-Y, wherein X ′ is a part of the NS5B continuous amino acid sequence; The N-terminal amino acid of 'is the amino acid at position 1 (Ser) of NS5B,
The terminal amino acid residue is any amino acid residue at positions 531 (Lys) to 544 (Gln). Y is a carboxyl group or another amino acid sequence not derived from NS5B. One or more amino acids in the amino acid sequence of X 'may be mutated, and methionine in the amino acid sequence of X' may be substituted with selenomethionine. (B) reacting the polypeptide obtained in (a) with a template RNA and a substrate in the presence of the test compound and measuring the HCV polymerase activity of the polypeptide; (c) Reacting the polypeptide obtained in (a) with a template RNA and a substrate in the absence thereof, and measuring the HCV polymerase activity of the polypeptide; and (d) the HCV polymerase activity of (b) and the (c) ) HCV polymerase activity. 16. An HCV polymerase inhibitor identified by the method according to any one of claims 12 to 15. 17. By acting on a site at the boundary between the thumb site and the palm site of HCV polymerase NS5B,
An HCV polymerase inhibitor having an activity of inhibiting the NS5B HCV polymerase activity. 18. The compound represented by the following general formula [I] Z¹-Z²-Z³-Leu-Z⁴-Z⁵-Trp-Ph
e-Z⁶  With a polypeptide represented by or a pharmaceutically acceptable salt thereof
18. The HCV polymerase inhibitor according to claim 17, here
And Z¹And Z⁶Is a hydrophilic group and any amino acid residue
And Z²And Z³Is a single bond or any amino acid residue
Z represents a group⁴And Z⁵Indicates any amino acid residue
You.