# Patent

## Title
Methods of treating an IL-17A mediated pathological condition

## Abstract

The present invention relates neutralizing epitopes of IL-17A and IL-17F and antibodies which bind those epitopes. The present invention also relates to the therapeutic uses of the antibody molecules and methods for producing them.

## Background
The present invention relates to neutralising epitopes of IL-17A and IL-17F and antibodies which bind those epitopes. The present invention also relates to the therapeutic uses of the antibody molecules and methods for producing them.
Interleukin 17 (IL-17), also known as CTLA-8 or IL-17A, is a pro-inflammatory cytokine which stimulates the secretion of a wide range of other cytokines from various non-immune cells. IL-17A is capable of inducing the secretion of IL-6, IL-8, PGE2, MCP-1 and G-CSF by adherent cells like fibroblasts, keratinocytes, epithelial and endothelial cells and is also able to induce ICAM-1 surface expression, proliferation of T cells, and growth and differentiation of CD34+ human progenitors into neutrophils when cocultured in the presence of irradiated fibroblasts (Fossiez et al., 1998, Int. Rev. Immunol. 16, 541-551). IL-17A is predominantly produced by activated memory T cells and acts by binding to a ubiquitously distributed cell surface receptor (IL-17R) (Yao et al., 1997, Cytokine, 9, 794-800). It may also act through binding to a complex of IL-17RA and IL-17RC (Toy et al., 2006, J. Immunol. 177(11); 36-39). IL-17 producing T cells called ‘TH17 cells’ have been implicated in the pathogenesis of certain cancers (Weaver et al., 2006, Immunity, 24, 677-688; Langowski et al., 2006, 442, 461-465; Iwakura and Ishigame, 2006, J. Clin. Invest. 116, 5, 1218-1222).
A number of homologues of IL-17 have been identified which have both similar and distinct roles in regulating inflammatory responses. For a review of IL-17 cytokine/receptor families see Dumont, 2003, Expert Opin. Ther. Patents, 13, 287-303. One such homologue is IL-17F, also known as IL-24 and ML-1, which is around 55% identical to IL-17A and is thought to share the same receptors as IL-17A (Kolls and Linden 2004, Immunity, 21, 467-476; Hymowitz, et al., 2001, EMBO J. 20(19), 5332-5341; Kuestner et al., 2007, Journal of Immunology, 179, 5462-5473).
Both IL-17A and IL-17F can form both homodimeric and heterodimeric proteins, all of which are produced by activated human CD4+ T cells (Wright et al., 2007, J Biol Chem. 282 (18), 13447-13455).
IL-17 may contribute to a number of diseases mediated by abnormal immune responses, such as rheumatoid arthritis and air-way inflammation, as well as organ transplant rejection and antitumour immunity. Inhibitors of IL-17 activity are well known in the art for example a murine IL-17R:human Fc fusion protein, a murine soluble IL-17R and an anti-IL-17 monoclonal antibody have been used to demonstrate the role of IL-17 in various models of rheumatoid arthritis (Lubberts et al., J. Immunol. 2001, 167, 1004-1013; Chabaud et al., Arthritis Res. 2001, 3, 168-177). In addition, neutralising polyclonal antibodies have been used to reduce peritoneal adhesion formation (Chung et al., 2002, J. Exp. Med., 195, 1471-1478). Rat derived anti-human IL-17A antibodies were described in WO04/106377. A humanised anti-IL-17A antibody with an affinity of around 220 pM was described in WO2006/054059. A monoclonal anti-IL-17A fully human antibody with an affinity of around 188 pM was described in WO2006/013107.
International patent application WO2008/001063 describes a high affinity neutralising anti-IL-17A antibody, CA048_497. Other neutralising antibodies which bind IL-17A have been described in WO2007/070750 and WO2007/149032.
Antibodies which bind IL-17F and IL-17A/IL-17F heterodimers were described in WO2006/088833. Antibodies which specifically bind the IL-17A/IL-17F heterodimer were described in WO2005/010044.
IL-17F antagonism has been associated with protection against asthma (Kawaguchi et al., 2006, J. Allergy Clin. Immunol. 117(4); 795-801) and IL-17F is also thought to play a role in arthritis pathology (Lubberts 2003, Current Opinion in Investigational Drugs, 4 (5), 572-577).
Accordingly dual antagonists of IL-17A and IL-17F may be more effective than a sole antagonist in treating IL-17 mediated diseases. Antibodies which bind IL-17A and IL-17F were described in WO2007/106769. International patent application PCT/GB2007/003983 (international filing date 18 Oct. 2007) describes a high affinity antibody, CA048496 which binds human IL-17A, IL-17F and IL-17A/F heterodimer, the sequence of which is provided herein below.
The present invention provides novel neutralising epitopes on IL-17A and IL-17F and antibodies which bind to, and/or interact with, those epitopes.
In one embodiment the present invention provides a neutralising epitope of IL-17A which comprises or consists of one or more of the residues, eg. two or more, e.g. three or more, e.g. four or more, selected from the group consisting of TYR44, ASN45, TRP51, ASN52 and ASP84 of human IL-17A (SEQ ID NO:21).
In one embodiment the present invention provides a neutralising epitope of IL-17A which comprises or consists of one or more of the residues selected from the group consisting of SER41, TYR44, ASN45, TRP51, ASN52, HIS54, ARG72, HIS73 and ASP84 of human IL-17A (SEQ ID NO:21).
In one embodiment, the present invention provides a neutralising epitope of IL-17A which comprises or consists of one or more of the residues selected from the group consisting of SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ ID NO:21).
In one embodiment, the present invention provides a neutralising epitope of IL-17A which comprises one or more of the residues, eg. two or more, e.g. three or more, e.g. four or more selected from the group consisting of TYR44, ASN45, TRP51, ASN52 and ASP84 of human IL-17A (SEQ ID NO:21) and optionally one or more of the residues selected from the group consisting of SER41, ARG46, HIS54, ARG72, HIS73, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ ID NO:21).
In one embodiment, the present invention provides a neutralising epitope of IL-17A which comprises amino acid residues TYR44, ASN45, TRP51, ASN52 and ASP84 of human IL-17A (SEQ ID NO:21) and optionally one or more of the residues selected from the group consisting of SER41, ARG46, HIS54, ARG72, HIS73, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ ID NO:21).
In one embodiment, the neutralising epitope provided by the present invention does not comprise one or more of the amino acid residues selected from the group consisting of ASP80, GLY81 and ASN82 of human IL-17A (SEQ ID NO:21).
In one embodiment, the neutralising epitope provided by the present invention does not comprise one or more of the amino acid residues selected from the group consisting of ASP80, GLY81, ASN82 and VAL83 of human IL-17A (SEQ ID NO:21).
The present invention also provides a novel neutralising epitope of human IL-17F (SEQ ID NO:22) which comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127, VAL128.
The present invention also provides a novel neutralising epitope of human IL-17F (SEQ ID NO:22) which comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, CYS72, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PRO92, GLN94, THR119, CYS122, VAL125, THR126, PRO127, VAL128.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127, VAL128.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of (or further comprises or further consists of) one or more e.g. three or four of the following residues: GLN71, CYS72, ILE86, ASN89, SER90 and VAL128 for example from a first chain in an IL17f dimer.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of (or further comprises or further consists of) one a residue: ARG47 for example from a second chain in an IL17f dimer.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: GLN71, CYS72, ASN74, LEU75, ILE86, ASN89, SER90, PRO92, VAL128, HIS131 and GLN133 for example from a first chain in an IL17f dimer.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of (or further comprises or further consists of) one or more e.g. three or four of the following residues: ARG37, SER39, SER41 and ARG47 for example from a second chain in an IL17f dimer.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: GLN71, CYS72, ARG73, ASN74, LEU75, ILE86, SER87 ASN89, SER90, VAL91, PRO92, VAL128, HIS131 and GLN133, for example from a first chain in an IL17f dimer.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of (or further comprises or further consists of) one or more e.g. three or four of the following residues: ASN33, GLN36, ARG37, SER39, SER41, ARG42, ILE44 and ARG47 for example from a second chain in an IL17f dimer.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: GLN12, LYS13, SER24, ISO32, ASN33 GLU34, ASN35, GLN36, VAL38, SER46, ASN53, TYR54, GLN69, ISO78, ASP85, SER87, MET88, ASM89, GLN94, LYS103 and THR126.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: GLN12, SER24, ASN33, GLU34, GLN36, VAL38, ASN53, TYR54, ASP85, MET88, ASM89, and THR126.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of one or more e.g. three or four of the following residues: GLN12, SER24, ASN33, GLU34, ASP85 and MET88.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of amino acids V33 to V38 inclusive.
In one embodiment the neutralising epitope of human IL-17F (SEQ ID NO:22) comprises or consists of amino acids V87 to Q94 inclusive.
In one embodiment the neutralising epitope of IL-17F further comprises one or more of the following residues: ILE129, HIS130, H131, V132, Q133.
In one embodiment there is provided one or more neutralising epitope of human IL-17F (SEQ ID NO:22) each independently comprises or consists of amino acids V33 to V38 inclusive and/or V87 to Q94 inclusive.
In one embodiment the epitope is defined as amino acid residues located within 4 Å, 3.5 Å or 3.0 Å of a binding entity, such as an antibody or fragment.
The present invention also provides epitopic fragments of IL-17A that can be used, if required, as an immunogen to obtain neutralising antibodies which bind to the neutralising epitope of IL-17A. For example epitopic fragments comprising one or more of the amino acid residues of IL-17A provided herein above, may be used as an immunogen.
The present invention also provides epitopic fragments of IL-17F that can be used, if required, as an immunogen to obtain neutralising antibodies which bind to the neutralising epitope of IL-17F. For example epitopic fragments comprising one or more of the amino acid residues of IL-17F provided herein above, may be used as an immunogen.
The present invention also provides antibodies which bind to, and/or interact with, a neutralising epitope provided by the present invention. It will be appreciated that an antibody can interact directly or indirectly with an epitope of the present invention, e.g. by direct binding or by allosteric interaction.
The residues in antibody variable domains are conventionally numbered according to a system devised by Kabat et al. This system is set forth in Kabat et al., 1987, in Sequences of Proteins of Immunological Interest, US Department of Health and Human Services, NIH, USA (hereafter “Kabat et al. (supra)”). This numbering system is used in the present specification except where otherwise indicated.
The Kabat residue designations do not always correspond directly with the linear numbering of the amino acid residues. The actual linear amino acid sequence may contain fewer or additional amino acids than in the strict Kabat numbering corresponding to a shortening of, or insertion into, a structural component, whether framework or complementarity determining region (CDR), of the basic variable domain structure. The correct Kabat numbering of residues may be determined for a given antibody by alignment of residues of homology in the sequence of the antibody with a “standard” Kabat numbered sequence.
The CDRs of the heavy chain variable domain are located at residues 31-35 (CDR-H1), residues 50-65 (CDR-H2) and residues 95-102 (CDR-H3) according to the Kabat numbering system. However, according to Chothia (Chothia, C. and Lesk, A. M. J. Mol. Biol., 196, 901-917 (1987)), the loop equivalent to CDR-H1 extends from residue 26 to residue 32. Thus ‘CDR-H1’, as used herein, comprises residues 26 to 35, as described by a combination of the Kabat numbering system and Chothia's topological loop definition.
The CDRs of the light chain variable domain are located at residues 24-34 (CDR-L1), residues 50-56 (CDR-L2) and residues 89-97 (CDR-L3) according to the Kabat numbering system.
In one embodiment the antibodies of the present invention specifically bind to IL-17A. Specifically binding means that the antibodies have a greater affinity for IL-17A polypeptides than for other polypeptides. In one embodiment the antibodies of the present invention specifically bind to IL-17F. Specifically binding means that the antibodies have a greater affinity for IL-17F polypeptides than for other polypeptides. In a preferred embodiment the antibodies of the present invention specifically bind to IL-17A and IL-17F. Specifically binding means that the antibodies have a greater affinity for IL-17A and IL-17F polypeptides (including the IL-17A/IL-17F heterodimer) than for other polypeptides. Preferably the IL-17A and IL-17F polypeptides are human. In one embodiment the antibody also binds cynomolgus IL-17A and/or IL-17F.
Where an antibody of the present invention binds human IL-17A and human IL-17F the antibody is not an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 for CDR-L3.
As used herein, the term ‘neutralising antibody’ describes an antibody that is capable of neutralising the biological signalling activity of IL-17A and/or IL17F and/or IL-17A/F heterodimer, for example by blocking binding of IL-17A and/or IL17F to one or more of their receptors and by blocking binding of the IL-17A/IL-17F heterodimer to one or more of its receptors. It will be appreciated that the term ‘neutralising’ as used herein refers to a reduction in biological signalling activity which may be partial or complete. Further, it will be appreciated that the extent of neutralisation of IL-17A and IL-17F activity by an antibody which binds both IL-17A and IL-17F may be the same or different. In one embodiment the extent of neutralisation of the activity of the IL-17A/IL-17F heterodimer may be the same or different as the extent of neutralisation of IL-17A or IL-17F activity.
In one embodiment the invention provides antibodies which bind to, and/or interact with, a neutralising epitope of IL-17A provided by the present invention.
Accordingly, in one embodiment the present invention provides a neutralising antibody which binds human IL-17A that binds to, and/or interacts with, an epitope of human IL-17A comprising or consisting of one or more e.g. two or more or three or more of the residues selected from the group consisting of TYR44, ASN45, TRP51, ASN52 and ASP84 of human IL-17A (SEQ ID NO:21).
In one embodiment the present invention provides a neutralising antibody which binds human IL-17A that binds to an epitope of human IL-17A comprising ASN52 of human IL-17A (SEQ ID NO:21).
In one embodiment the present invention provides a neutralising antibody which binds human IL-17A that binds to an epitope of human IL-17A comprising ASN52 and ASP84 of human IL-17A (SEQ ID NO:21).
In one embodiment, the present invention provides a neutralising antibody which binds human IL-17A that binds to an epitope of human IL-17A which comprises or consists of one or more of the residues selected from the group consisting of SER41, ASN52, ARG72, HIS73 and ASP84 of human IL-17A (SEQ ID NO:21).
In one embodiment, the present invention provides a neutralising antibody which binds human IL-17A that binds to an epitope of human IL-17A which comprises or consists of one or more of the residues selected from the group consisting of SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ ID NO:21).
In one embodiment an antibody of the present invention does not bind one or more e.g two or more of the amino acid residues selected from the group consisting of ASP80, GLY81 and ASN82 of human IL-17A (SEQ ID NO:21).
In one embodiment an antibody of the present invention does not bind one or more amino acid residues selected from the group consisting of ASP80, GLY81, ASN82 and VAL83 of human IL-17A (SEQ ID NO:21).
In one embodiment an antibody of the present invention does not bind any of the following amino acid residues, ASP80, GLY81 and ASN82 of human IL-17A (SEQ ID NO:21).
In one embodiment the invention provides antibodies which bind to, and/or interact with, a neutralising epitope of IL-17F provided by the present invention.
Accordingly, in one embodiment the present invention provides a neutralising antibody which binds human IL-17F that binds to an epitope of human IL-17F comprising one or more e.g. three or more, e.g. five or more, e.g. ten or more of the following residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127, VAL128 of SEQ ID NO:22 (IL-17F).
In one embodiment the present invention provides a neutralising antibody which binds human IL-17F that binds to an epitope of human IL-17F within one or more of the following regions:
(i) 39-42 (SER39, MET40, SER41, ARG42)
(ii) 47 (ARG47)
(iii) 53 (ASN53)
(iv) 72-75 (CYS72, ARG73, ASN74, LEU75)
(v) 83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PRO92)
(vi) 94 (GLN94)
(vii) 119 (THR119)
(viii) 122 (CYS122)
(ix) 125-128 (VAL125, THR126, PRO127, VAL128).
In one embodiment an antibody of the present invention binds human IL-17A and human IL-17F.
In one embodiment an antibody of the present invention binds human IL-17A/F heterodimer.
In one embodiment, an antibody of the present invention binds human IL-17A and human IL-17A/F heterodimer. In one embodiment an antibody of the present invention binds human IL-17F and human IL-17A/F heterodimer. In a preferred embodiment, an antibody of the present invention binds human IL-17A, human IL-17F and human IL-17A/F heterodimer.
Accordingly, in one embodiment the present invention provides a neutralising antibody which binds human IL-17A and human IL-17F that binds to an epitope of human IL-17A comprising one or more of the residues selected from the group consisting of TYR44, ASN45, TRP51, ASN52 and ASP84 of SEQ ID NO:21 (IL-17A) wherein the antibody is not an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 for CDR-L3.
In one embodiment the present invention provides a neutralising antibody which binds human IL-17A and human IL-17F that binds to an epitope of human IL-17A comprising ASN52 and ASP84 of SEQ ID NO:21 (IL-17A) and optionally one or more amino acid residues selected from the group consisting of SER41, TYR44, ASN45, ARG46, TRP51, HIS54, ARG72, HIS73, HIS86, VAL128, HIS129 and VAL131 wherein the antibody is not an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 for CDR-L3.
In one embodiment the present invention provides a neutralising antibody which binds human IL-17A and IL-17F that binds to an epitope of human IL-17F comprising one or more of the amino acid residues selected from the group consisting of SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127 and VAL128 of human IL-17F (SEQ ID NO:22) wherein the antibody is not an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 for CDR-L3.
In one embodiment the present invention provides a neutralising antibody which binds human IL-17A and IL-17F that binds to an epitope of human IL-17F within one or more of the following regions:
(i) 39-42 (SER39, MET40, SER41, ARG42)
(ii) 47 (ARG47)
(iii) 53 (ASN53)
(iv) 72-75 (CYS72, ARG73, ASN74, LEU75)
(v) 83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PRO92)
(vi) 94 (GLN94)
(vii) 119 (THR119)
(viii) 122 (CYS122)
(ix) 125-128 (VAL125, THR126, PRO127, VAL128).
wherein the antibody is not an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 for CDR-L3.
In one embodiment the present invention provides a neutralising antibody which binds human IL-17A and IL-17F that binds to an epitope of human IL-17A comprising one or more of the amino acids selected from the group consisting of SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ ID NO:21) and that binds to an epitope of human IL-17F comprising one or more of the amino acid residues selected from the group consisting of SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127 and VAL128 of human IL-17F (SEQ ID NO:22) wherein the antibody is not an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 for CDR-L3.
In one embodiment an antibody of the present invention which is capable of binding to both IL-17A and IL-17F is capable of neutralising the activity of both isoforms of IL-17. In particular, in one embodiment an antibody of the present invention is capable of specifically binding to both IL-17A and IL-17F i.e. the antibody does not bind to other isoforms of IL-17. Preferably an antibody of the present invention also binds the IL-17A/IL-17F heterodimer. Preferably, an antibody of the present invention neutralises the activity of both IL-17A and IL-17F. In one embodiment an antibody of the present invention also neutralises the activity of the IL-17A/IL-17F heterodimer. The antibodies provided by this aspect of the present invention therefore have the advantageous property that they can inhibit the biological activity of both IL-17A and IL-17F. Accordingly, the present invention also provides the use of such antibodies in the treatment of and/or prophylaxis of a disease mediated by either or both of IL-17A or IL-17F such as autoimmune or inflammatory disease or cancer.
IL-17A or IL-17F polypeptides or a mixture of the two or cells expressing one or both of said polypeptides can be used to produce antibodies which specifically recognise one or both polypeptides. The IL-17 polypeptides (IL-17A and IL-17F) may be ‘mature’ polypeptides or biologically active fragments or derivatives thereof which preferably include the receptor binding site. Preferably the IL-17 polypeptides are the mature polypeptides provided in SEQ ID NOs 21 and 22 for IL-17A and IL-17F respectively. IL-17 polypeptides may be prepared by processes well known in the art from genetically engineered host cells comprising expression systems or they may be recovered from natural biological sources. In the present application, the term “polypeptides” includes peptides, polypeptides and proteins. These are used interchangeably unless otherwise specified. The IL-17 polypeptide may in some instances be part of a larger protein such as a fusion protein for example fused to an affinity tag. Antibodies generated against these polypeptides may be obtained, where immunisation of an animal is necessary, by administering the polypeptides to an animal, preferably a non-human animal, using well-known and routine protocols, see for example Handbook of Experimental Immunology, D. M. Weir (ed.), Vol 4, Blackwell Scientific Publishers, Oxford, England, 1986). Many warm-blooded animals, such as rabbits, mice, rats, sheep, cows or pigs may be immunized. However, mice, rabbits, pigs and rats are generally preferred.
Antibodies for use in the present invention include whole antibodies and functionally active fragments or derivatives thereof and may be, but are not limited to, monoclonal, multi-valent, multi-specific, fully human, humanized or chimeric antibodies, domain antibodies e.g. VH, VL, VHH, single chain antibodies, Fab fragments, Fab′ and F(ab′)2 fragments and epitope-binding fragments of any of the above. Other antibody fragments include those described in International patent applications WO2005003169, WO2005003170 and WO2005003171. Antibody fragments and methods of producing them are well known in the art, see for example Verma et al., 1998, Journal of Immunological Methods, 216, 165-181; Adair and Lawson, 2005. Therapeutic antibodies. Drug Design Reviews—Online 2(3):209-217.
Antibodies for use in the present invention include immunoglobulin molecules and immunologically active portions of immunoglobulin molecules, i.e. molecules that contain an antigen binding site that specifically binds an antigen. The immunoglobulin molecules of the invention can be of any class (e.g. IgG, IgE, IgM, IgD and IgA) or subclass of immunoglobulin molecule. The constant region domains of the antibody molecule of the present invention, if present, may be selected having regard to the proposed function of the antibody molecule, and in particular the effector functions which may be required. For example, the constant region domains may be human IgA, IgD, IgE, IgG or IgM domains. In particular, human IgG constant region domains may be used, especially of the IgG1 and IgG3 isotypes when the antibody molecule is intended for therapeutic uses and antibody effector functions are required. Alternatively, IgG2 and IgG4 isotypes may be used when the antibody molecule is intended for therapeutic purposes and antibody effector functions are not required, e.g. for simply blocking IL-17 activity. It will be appreciated that sequence variants of these constant region domains may also be used. For example IgG4 molecules in which the serine at position 241 has been changed to proline as described in Angal et al., Molecular Immunology, 1993, 30 (1), 105-108 may be used. Particularly preferred is the IgG4 constant domain comprising this change. It will also be understood by one skilled in the art that antibodies may undergo a variety of posttranslational modifications. The type and extent of these modifications often depends on the host cell line used to express the antibody as well as the culture conditions. Such modifications may include variations in glycosylation, methionine oxidation, diketopiperazine formation, aspartate isomerization and asparagine deamidation. A frequent modification is the loss of a carboxy-terminal basic residue (such as lysine or arginine) due to the action of carboxypeptidases (as described in Harris, R J. Journal of Chromatography 705:129-134, 1995).
Monoclonal antibodies may be prepared by any method known in the art such as the hybridoma technique (Kohler & Milstein, 1975, Nature, 256:495-497), the trioma technique, the human B-cell hybridoma technique (Kozbor et al., 1983, Immunology Today, 4:72) and the EBV-hybridoma technique (Cole et al., Monoclonal Antibodies and Cancer Therapy, pp 77-96, Alan R Liss, Inc., 1985).
Antibodies for use in the invention may also be generated using single lymphocyte antibody methods by cloning and expressing immunoglobulin variable region cDNAs generated from single lymphocytes selected for the production of specific antibodies by for example the methods described by Babcook, J. et al., 1996, Proc. Natl. Acad. Sci. USA 93(15):7843-78481; WO92/02551; WO2004/051268 and International Patent Application number WO2004/106377.
Humanized antibodies are antibody molecules from non-human species having one or more complementarity determining regions (CDRs) from the non-human species and a framework region from a human immunoglobulin molecule (see, e.g. U.S. Pat. No. 5,585,089; WO91/09967).
Chimeric antibodies are those antibodies encoded by immunoglobulin genes that have been genetically engineered so that the light and heavy chain genes are composed of immunoglobulin gene segments belonging to different species. These chimeric antibodies are likely to be less antigenic. Bivalent antibodies may be made by methods known in the art (Milstein et al., 1983, Nature 305:537-539; WO 93/08829, Traunecker et al., 1991, EMBO J. 10:3655-3659). Multi-valent antibodies may comprise multiple specificities or may be monospecific (see for example WO 92/22853 and WO05/113605).
The antibodies for use in the present invention can also be generated using various phage display methods known in the art and include those disclosed by Brinkman et al. (in J. Immunol. Methods, 1995, 182: 41-50), Ames et al. (J. Immunol. Methods, 1995, 184:177-186), Kettleborough et al. (Eur. J. Immunol. 1994, 24:952-958), Persic et al. (Gene, 1997 187 9-18), Burton et al. (Advances in Immunology, 1994, 57:191-280) and WO 90/02809; WO 91/10737; WO 92/01047; WO 92/18619; WO 93/11236; WO 95/15982; WO 95/20401; and U.S. Pat. Nos. 5,698,426; 5,223,409; 5,403,484; 5,580,717; 5,427,908; 5,750,753; 5,821,047; 5,571,698; 5,427,908; 5,516,637; 5,780,225; 5,658,727; 5,733,743 and 5,969,108. Techniques for the production of single chain antibodies, such as those described in U.S. Pat. No. 4,946,778 can also be adapted to produce single chain antibodies which bind to IL-17A and IL-17F. Also, transgenic mice, or other organisms, including other mammals, may be used to express humanized antibodies.
Fully human antibodies are those antibodies in which the variable regions and the constant regions (where present) of both the heavy and the light chains are all of human origin, or substantially identical to sequences of human origin, not necessarily from the same antibody. Examples of fully human antibodies may include antibodies produced for example by the phage display methods described above and antibodies produced by mice in which the murine immunoglobulin variable and constant region genes have been replaced by their human counterparts eg. as described in general terms in EP0546073 B1, U.S. Pat. No. 5,545,806, U.S. Pat. No. 5,569,825, U.S. Pat. No. 5,625,126, U.S. Pat. No. 5,633,425, U.S. Pat. No. 5,661,016, U.S. Pat. No. 5,770,429, EP 0438474 B1 and EP0463151 B1.
Any suitable method known in the art may be used to determine the residues bound by an antibody provided by the present invention e.g. hydrogen-deuterium exchange, site-directed mutagenesis, mass spectrometry, NMR and X-ray crystallography. See for example the methods described in WO2007/149032.
The specific region or epitope of the human IL-17A polypeptide and/or the specific region or epitope of the human IL-17F polypeptide and/or the specific region or epitope of the human IL-17A/F heterodimer can be identified by any suitable epitope mapping method known in the art in combination with any one of the antibodies provided by the present invention. Examples of such methods include screening peptides of varying lengths derived from IL-17A and IL-17F for binding to the antibody of the present invention with the smallest fragment that can specifically bind to the antibody containing the sequence of the epitope recognised by the antibody. The IL-17 peptides may be produced synthetically or by proteolytic digestion of the appropriate IL-17 polypeptide. Peptides that bind the antibody can be identified by, for example, mass spectrometric analysis. In another example, NMR spectroscopy, as described in the Examples herein can be used to identify residues which interact with an antibody of the present invention.
The neutralising antibody molecules provided by the present invention preferably have a high binding affinity, preferably nanomolar, even more preferably picomolar. It will be appreciated that the binding affinity of an antibody according to the present invention for human IL-17A may be different from the binding affinity of the same antibody for human IL-17F and/or the IL-17A/F heterodimer. In one example the antibody molecule of the present invention has an affinity for IL-17A that is greater than its affinity for IL-17F. In one example the antibody molecule of the present invention has an affinity for IL-17A which is at least 10 fold greater than its binding affinity for IL-17F. In one example the antibody molecule of the present invention has an affinity for IL-17A which is at least 50 fold greater than its binding affinity for IL-17F. In one example the antibody molecule of the present invention has an affinity for IL-17A which is at least 100 fold greater than its binding affinity for IL-17F. In one example the antibody molecule of the present invention has an affinity for IL-17F that is greater than its affinity for IL-17A. In one example the antibody molecule of the present invention has an affinity for IL-17A that is the same as its affinity for IL-17F. In one example the antibody molecule of the present invention has a picomolar affinity for IL-17A and a nanomolar affinity for IL-17F. In one example the antibody molecule of the present invention has a nanomolar affinity for IL-17F and a picomolar affinity for IL-17A. In one example the antibody molecule of the present invention has a nanomolar affinity for both IL-17A and IL-17F. In one example the antibody molecule of the present invention has a picomolar affinity for both IL-17A and IL-17F.
Preferably the antibody molecule of the present invention has a binding affinity for IL-17A of better than 10 nM. In one embodiment the antibody molecule of the present invention has a binding affinity for IL-17A of better than 500 pM. In one embodiment the antibody molecule of the present invention has a binding affinity for IL-17A of better than 100 pM. In one embodiment the antibody molecule of the present invention has a binding affinity for IL-17A of better than 20 pM.
Preferably the antibody molecule of the present invention has a binding affinity for IL-17F of better than 10 nM. In one embodiment the antibody of the present invention has an affinity for IL-17F of better than 2 nM. In one embodiment the antibody of the present invention has an affinity for IL-17F of better than 500 pM. In one embodiment the antibody molecule of the present invention has a binding affinity for IL-17F of better than 100 pM.
Preferably the antibody molecule of the present invention has a binding affinity for IL-17A/F heterodimer of better than 10 nM. In one embodiment the antibody molecule of the present invention has a binding affinity for IL-17A/F heterodimer of better than 500 pM. In one embodiment the antibody molecule of the present invention has a binding affinity for IL-17A/F heterodimer of better than 100 pM.
In one embodiment the antibody molecule of the present invention has a binding affinity for cynomolgus IL-17F of better than 2 nM.
It will be appreciated that the affinity of antibodies provided by the present invention may be altered using any suitable method known in the art. The present invention therefore also relates to variants of the antibody molecules of the present invention, which have an improved affinity for IL-17A and/or IL-17F. Such variants can be obtained by a number of affinity maturation protocols including mutating the CDRs (Yang et al., J. Mol. Biol., 254, 392-403, 1995), chain shuffling (Marks et al., Bio/Technology, 10, 779-783, 1992), use of mutator strains of E. coli (Low et al., J. Mol. Biol., 250, 359-368, 1996), DNA shuffling (Patten et al., Curr. Opin. Biotechnol., 8, 724-733, 1997), phage display (Thompson et al., J. Mol. Biol., 256, 77-88, 1996) and sexual PCR (Crameri et al., Nature, 391, 288-291, 1998). Vaughan et al. (supra) discusses these methods of affinity maturation.
In one embodiment the antibody molecules of the present invention neutralise IL-17A and IL-17F activity, for example in the in vitro assays described in the Examples. In one embodiment the present invention provides a neutralising antibody having specificity for human IL-17A and IL-17F which is capable of inhibiting the activity of 0.8 nM human IL-17A by 50% at a concentration of less than 5 nM and the activity of 4.2 nM IL-17F by 50% at a concentration of less than 12 nM said inhibitory activity being measured on the IL-17A or IL-17F induced release of IL-6 from Hela cells. In one embodiment the concentration of antibody which inhibits IL-17A by 50% is less than 3 nM. In one embodiment the concentration of antibody which inhibits IL-17F by 50% is less than 11 nM. In one embodiment the human IL-17A and human IL-17F used in the assay are recombinant human IL-17A and IL-17F. In one embodiment the neutralising antibody is a humanised or fully human antibody.
If desired an antibody for use in the present invention may be conjugated to one or more effector molecule(s). It will be appreciated that the effector molecule may comprise a single effector molecule or two or more such molecules so linked as to form a single moiety that can be attached to the antibodies of the present invention. Where it is desired to obtain an antibody fragment linked to an effector molecule, this may be prepared by standard chemical or recombinant DNA procedures in which the antibody fragment is linked either directly or via a coupling agent to the effector molecule. Techniques for conjugating such effector molecules to antibodies are well known in the art (see, Hellstrom et al., Controlled Drug Delivery, 2nd Ed., Robinson et al., eds., 1987, pp. 623-53; Thorpe et al., 1982, Immunol Rev., 62:119-58 and Dubowchik et al., 1999, Pharmacology and Therapeutics, 83, 67-123). Particular chemical procedures include, for example, those described in WO 93/06231, WO 92/22583, WO 89/00195, WO 89/01476 and WO03031581. Alternatively, where the effector molecule is a protein or polypeptide the linkage may be achieved using recombinant DNA procedures, for example as described in WO 86/01533 and EP0392745.
The term effector molecule as used herein includes, for example, antineoplastic agents, drugs, toxins, biologically active proteins, for example enzymes, other antibody or antibody fragments, synthetic or naturally occurring polymers, nucleic acids and fragments thereof e.g. DNA, RNA and fragments thereof, radionuclides, particularly radioiodide, radioisotopes, chelated metals, nanoparticles and reporter groups such as fluorescent compounds or compounds which may be detected by NMR or ESR spectroscopy.
Examples of effector molecules may include cytotoxins or cytotoxic agents including any agent that is detrimental to (e.g. kills) cells. Examples include combrestatins, dolastatins, epothilones, staurosporin, maytansinoids, spongistatins, rhizoxin, halichondrins, roridins, hemiasterlins, taxol, cytochalasin B, gramicidin D, ethidium bromide, emetine, mitomycin, etoposide, tenoposide, vincristine, vinblastine, colchicin, doxorubicin, daunorubicin, dihydroxy anthracin dione, mitoxantrone, mithramycin, actinomycin D, 1-dehydrotestosterone, glucocorticoids, procaine, tetracaine, lidocaine, propranolol, and puromycin and analogs or homologs thereof.
Effector molecules also include, but are not limited to, antimetabolites (e.g. methotrexate, 6-mercaptopurine, 6-thioguanine, cytarabine, 5-fluorouracil decarbazine), alkylating agents (e.g. mechlorethamine, thioepa chlorambucil, melphalan, carmustine (BSNU) and lomustine (CCNU), cyclothosphamide, busulfan, dibromomannitol, streptozotocin, mitomycin C, and cis-dichlorodiamine platinum (II) (DDP) cisplatin), anthracyclines (e.g. daunorubicin (formerly daunomycin) and doxorubicin), antibiotics (e.g. dactinomycin (formerly actinomycin), bleomycin, mithramycin, anthramycin (AMC), calicheamicins or duocarmycins), and anti-mitotic agents (e.g. vincristine and vinblastine).
Other effector molecules may include chelated radionuclides such as 111In and 90Y, Lu177, Bismuth213, Californium252, Iridium192 and Tungsten188/Rhenium188; or drugs such as but not limited to, alkylphosphocholines, topoisomerase I inhibitors, taxoids and suramin.
Other effector molecules include proteins, peptides and enzymes. Enzymes of interest include, but are not limited to, proteolytic enzymes, hydrolases, lyases, isomerases, transferases. Proteins, polypeptides and peptides of interest include, but are not limited to, immunoglobulins, toxins such as abrin, ricin A, pseudomonas exotoxin, or diphtheria toxin, a protein such as insulin, tumour necrosis factor, α-interferon, β-interferon, nerve growth factor, platelet derived growth factor or tissue plasminogen activator, a thrombotic agent or an anti-angiogenic agent, e.g. angiostatin or endostatin, or, a biological response modifier such as a lymphokine, interleukin-1 (IL-1), interleukin-2 (IL-2), interleukin-6 (IL-6), granulocyte macrophage colony stimulating factor (GM-CSF), granulocyte colony stimulating factor (G-CSF), nerve growth factor (NGF) or other growth factor and immunoglobulins.
Other effector molecules may include detectable substances useful for example in diagnosis. Examples of detectable substances include various enzymes, prosthetic groups, fluorescent materials, luminescent materials, bioluminescent materials, radioactive nuclides, positron emitting metals (for use in positron emission tomography), and nonradioactive paramagnetic metal ions. See generally U.S. Pat. No. 4,741,900 for metal ions which can be conjugated to antibodies for use as diagnostics. Suitable enzymes include horseradish peroxidase, alkaline phosphatase, beta-galactosidase, or acetylcholinesterase; suitable prosthetic groups include streptavidin, avidin and biotin; suitable fluorescent materials include umbelliferone, fluorescein, fluorescein isothiocyanate, rhodamine, dichlorotriazinylamine fluorescein, dansyl chloride and phycoerythrin; suitable luminescent materials include luminol; suitable bioluminescent materials include luciferase, luciferin, and aequorin; and suitable radioactive nuclides include 125I, 131I, 111In and 99Tc.
In another example the effector molecule may increase the half-life of the antibody in vivo, and/or reduce immunogenicity of the antibody and/or enhance the delivery of an antibody across an epithelial barrier to the immune system. Examples of suitable effector molecules of this type include polymers, albumin, albumin binding proteins or albumin binding compounds such as those described in WO05/117984.
Where the effector molecule is a polymer it may, in general, be a synthetic or a naturally occurring polymer, for example an optionally substituted straight or branched chain polyalkylene, polyalkenylene or polyoxyalkylene polymer or a branched or unbranched polysaccharide, e.g. a homo- or hetero-polysaccharide.
Particular optional substituents which may be present on the above-mentioned synthetic polymers include one or more hydroxy, methyl or methoxy groups.
Particular examples of synthetic polymers include optionally substituted straight or branched chain poly(ethyleneglycol), poly(propyleneglycol) poly(vinylalcohol) or derivatives thereof, especially optionally substituted poly(ethyleneglycol) such as methoxypoly(ethyleneglycol) or derivatives thereof.
Particular naturally occurring polymers include lactose, amylose, dextran, glycogen or derivatives thereof.
“Derivatives” as used herein is intended to include reactive derivatives, for example thiol-selective reactive groups such as maleimides and the like. The reactive group may be linked directly or through a linker segment to the polymer. It will be appreciated that the residue of such a group will in some instances form part of the product as the linking group between the antibody fragment and the polymer.
The size of the polymer may be varied as desired, but will generally be in an average molecular weight range from 500 Da to 50000 Da, preferably from 5000 to 40000 Da and more preferably from 20000 to 40000 Da. The polymer size may in particular be selected on the basis of the intended use of the product for example ability to localize to certain tissues such as tumors or extend circulating half-life (for review see Chapman, 2002, Advanced Drug Delivery Reviews, 54, 531-545). Thus, for example, where the product is intended to leave the circulation and penetrate tissue, for example for use in the treatment of a tumour, it may be advantageous to use a small molecular weight polymer, for example with a molecular weight of around 5000 Da. For applications where the product remains in the circulation, it may be advantageous to use a higher molecular weight polymer, for example having a molecular weight in the range from 20000 Da to 40000 Da.
Particularly preferred polymers include a polyalkylene polymer, such as a poly(ethyleneglycol) or, especially, a methoxypoly(ethyleneglycol) or a derivative thereof, and especially with a molecular weight in the range from about 15000 Da to about 40000 Da.
In one example antibodies for use in the present invention are attached to poly(ethyleneglycol) (PEG) moieties. In one particular example the antibody is an antibody fragment and the PEG molecules may be attached through any available amino acid side-chain or terminal amino acid functional group located in the antibody fragment, for example any free amino, imino, thiol, hydroxyl or carboxyl group. Such amino acids may occur naturally in the antibody fragment or may be engineered into the fragment using recombinant DNA methods (see for example U.S. Pat. No. 5,219,996; U.S. Pat. No. 5,667,425; WO98/25971). In one example the antibody molecule of the present invention is a modified Fab fragment wherein the modification is the addition to the C-terminal end of its heavy chain one or more amino acids to allow the attachment of an effector molecule. Preferably, the additional amino acids form a modified hinge region containing one or more cysteine residues to which the effector molecule may be attached. Multiple sites can be used to attach two or more PEG molecules.
Preferably PEG molecules are covalently linked through a thiol group of at least one cysteine residue located in the antibody fragment. Each polymer molecule attached to the modified antibody fragment may be covalently linked to the sulphur atom of a cysteine residue located in the fragment. The covalent linkage will generally be a disulphide bond or, in particular, a sulphur-carbon bond. Where a thiol group is used as the point of attachment appropriately activated effector molecules, for example thiol selective derivatives such as maleimides and cysteine derivatives may be used. An activated polymer may be used as the starting material in the preparation of polymer-modified antibody fragments as described above. The activated polymer may be any polymer containing a thiol reactive group such as an α-halocarboxylic acid or ester, e.g. iodoacetamide, an imide, e.g. maleimide, a vinyl sulphone or a disulphide. Such starting materials may be obtained commercially (for example from Nektar, formerly Shearwater Polymers Inc., Huntsville, Ala., USA) or may be prepared from commercially available starting materials using conventional chemical procedures. Particular PEG molecules include 20K methoxy-PEG-amine (obtainable from Nektar, formerly Shearwater; Rapp Polymere; and SunBio) and M-PEG-SPA (obtainable from Nektar, formerly Shearwater).
In one embodiment, the antibody is a modified Fab fragment which is PEGylated, i.e. has PEG (poly(ethyleneglycol)) covalently attached thereto, e.g. according to the method disclosed in EP 0948544 [see also “Poly(ethyleneglycol) Chemistry, Biotechnical and Biomedical Applications”, 1992, J. Milton Harris (ed), Plenum Press, New York, “Poly(ethyleneglycol) Chemistry and Biological Applications”, 1997, J. Milton Harris and S. Zalipsky (eds), American Chemical Society, Washington D.C. and “Bioconjugation Protein Coupling Techniques for the Biomedical Sciences”, 1998, M. Aslam and A. Dent, Grove Publishers, New York; Chapman, A. 2002, Advanced Drug Delivery Reviews 2002, 54:531-545]. In one example PEG is attached to a cysteine in the hinge region. In one example, a PEG modified Fab fragment has a maleimide group covalently linked to a single thiol group in a modified hinge region. A lysine residue may be covalently linked to the maleimide group and to each of the amine groups on the lysine residue may be attached a methoxypoly(ethyleneglycol) polymer having a molecular weight of approximately 20,000 Da. The total molecular weight of the PEG attached to the Fab fragment may therefore be approximately 40,000 Da.
In one embodiment, a neutralising antibody molecule of the present invention is a modified Fab fragment having at the C-terminal end of its heavy chain a modified hinge region containing at least one cysteine residue to which an effector molecule is attached. Preferably the effector molecule is PEG and is attached using the methods described in (WO98/25971 and WO2004072116) whereby a lysyl-maleimide group is attached to the cysteine residue at the C-terminal end of the heavy chain, and each amino group of the lysyl residue has covalently linked to it a methoxypoly(ethyleneglycol) residue having a molecular weight of about 20,000 Da. The total molecular weight of the PEG attached to the antibody is therefore approximately 40,000 Da.
In another example effector molecules may be attached to antibody fragments using the methods described in International patent applications WO2005/003169, WO2005/003170 and WO2005/003171.
The present invention also provides an isolated DNA sequence encoding the heavy and/or light chain(s) of an antibody molecule of the present invention. Preferably, the DNA sequence encodes the heavy or the light chain of an antibody molecule of the present invention. The DNA sequence of the present invention may comprise synthetic DNA, for instance produced by chemical processing, cDNA, genomic DNA or any combination thereof.
DNA sequences which encode an antibody molecule of the present invention can be obtained by methods well known to those skilled in the art. For example, DNA sequences coding for part or all of the antibody heavy and light chains may be synthesised as desired from the determined DNA sequences or on the basis of the corresponding amino acid sequences.
DNA coding for acceptor framework sequences is widely available to those skilled in the art and can be readily synthesised on the basis of their known amino acid sequences.
Standard techniques of molecular biology may be used to prepare DNA sequences coding for the antibody molecule of the present invention. Desired DNA sequences may be synthesised completely or in part using oligonucleotide synthesis techniques. Site-directed mutagenesis and polymerase chain reaction (PCR) techniques may be used as appropriate.
The present invention also relates to a cloning or expression vector comprising one or more DNA sequences of the present invention. Accordingly, provided is a cloning or expression vector comprising one or more DNA sequences encoding an antibody of the present invention. Preferably, the cloning or expression vector comprises two DNA sequences, encoding the light chain and the heavy chain of the antibody molecule of the present invention, respectively.
General methods by which the vectors may be constructed, transfection methods and culture methods are well known to those skilled in the art. In this respect, reference is made to “Current Protocols in Molecular Biology”, 1999, F. M. Ausubel (ed), Wiley Interscience, New York and the Maniatis Manual produced by Cold Spring Harbor Publishing.
Also provided is a host cell comprising one or more cloning or expression vectors comprising one or more DNA sequences encoding an antibody of the present invention. Any suitable host cell/vector system may be used for expression of the DNA sequences encoding the antibody molecule of the present invention. Bacterial, for example E. coli, and other microbial systems may be used or eukaryotic, for example mammalian, host cell expression systems may also be used. Suitable mammalian host cells include CHO, myeloma or hybridoma cells.
The present invention also provides a process for the production of an antibody molecule according to the present invention comprising culturing a host cell containing a vector of the present invention under conditions suitable for leading to expression of protein from DNA encoding the antibody molecule of the present invention, and isolating the antibody molecule.
The antibody molecule may comprise only a heavy or light chain polypeptide, in which case only a heavy chain or light chain polypeptide coding sequence needs to be used to transfect the host cells. For production of products comprising both heavy and light chains, the cell line may be transfected with two vectors, a first vector encoding a light chain polypeptide and a second vector encoding a heavy chain polypeptide. Alternatively, a single vector may be used, the vector including sequences encoding light chain and heavy chain polypeptides.
As the antibodies of the present invention are useful in the treatment and/or prophylaxis of a pathological condition, the present invention also provides a pharmaceutical or diagnostic composition comprising an antibody molecule of the present invention in combination with one or more of a pharmaceutically acceptable excipient, diluent or carrier. Accordingly, provided is the use of an antibody according to the present invention for the manufacture of a medicament. The composition will usually be supplied as part of a sterile, pharmaceutical composition that will normally include a pharmaceutically acceptable carrier. A pharmaceutical composition of the present invention may additionally comprise a pharmaceutically-acceptable adjuvant.
The present invention also provides a process for preparation of a pharmaceutical or diagnostic composition comprising adding and mixing the antibody molecule of the present invention together with one or more of a pharmaceutically acceptable excipient, diluent or carrier.
The antibody molecule may be the sole active ingredient in the pharmaceutical or diagnostic composition or may be accompanied by other active ingredients including other antibody ingredients, for example anti-TNF, anti-IL-1β, anti-T cell, anti-IFNγ or anti-LPS antibodies, or non-antibody ingredients such as xanthines.
The pharmaceutical compositions preferably comprise a therapeutically effective amount of the antibody of the invention. The term “therapeutically effective amount” as used herein refers to an amount of a therapeutic agent needed to treat, ameliorate or prevent a targeted disease or condition, or to exhibit a detectable therapeutic or preventative effect. For any antibody, the therapeutically effective amount can be estimated initially either in cell culture assays or in animal models, usually in rodents, rabbits, dogs, pigs or primates. The animal model may also be used to determine the appropriate concentration range and route of administration. Such information can then be used to determine useful doses and routes for administration in humans.
The precise therapeutically effective amount for a human subject will depend upon the severity of the disease state, the general health of the subject, the age, weight and gender of the subject, diet, time and frequency of administration, drug combination(s), reaction sensitivities and tolerance/response to therapy. This amount can be determined by routine experimentation and is within the judgement of the clinician. Generally, a therapeutically effective amount will be from 0.01 mg/kg to 50 mg/kg, preferably 0.1 mg/kg to 20 mg/kg. Pharmaceutical compositions may be conveniently presented in unit dose forms containing a predetermined amount of an active agent of the invention per dose.
Compositions may be administered individually to a patient or may be administered in combination (e.g. simultaneously, sequentially or separately) with other agents, drugs or hormones.
The dose at which the antibody molecule of the present invention is administered depends on the nature of the condition to be treated, the extent of the inflammation present and on whether the antibody molecule is being used prophylactically or to treat an existing condition.
The frequency of dose will depend on the half-life of the antibody molecule and the duration of its effect. If the antibody molecule has a short half-life (e.g. 2 to 10 hours) it may be necessary to give one or more doses per day. Alternatively, if the antibody molecule has a long half life (e.g. 2 to 15 days) it may only be necessary to give a dosage once per day, once per week or even once every 1 or 2 months.
The pharmaceutically acceptable carrier should not itself induce the production of antibodies harmful to the individual receiving the composition and should not be toxic. Suitable carriers may be large, slowly metabolised macromolecules such as proteins, polypeptides, liposomes, polysaccharides, polylactic acids, polyglycolic acids, polymeric amino acids, amino acid copolymers and inactive virus particles.
Pharmaceutically acceptable salts can be used, for example mineral acid salts, such as hydrochlorides, hydrobromides, phosphates and sulphates, or salts of organic acids, such as acetates, propionates, malonates and benzoates.
Pharmaceutically acceptable carriers in therapeutic compositions may additionally contain liquids such as water, saline, glycerol and ethanol. Additionally, auxiliary substances, such as wetting or emulsifying agents or pH buffering substances, may be present in such compositions. Such carriers enable the pharmaceutical compositions to be formulated as tablets, pills, dragees, capsules, liquids, gels, syrups, slurries and suspensions, for ingestion by the patient.
Preferred forms for administration include forms suitable for parenteral administration, e.g. by injection or infusion, for example by bolus injection or continuous infusion. Where the product is for injection or infusion, it may take the form of a suspension, solution or emulsion in an oily or aqueous vehicle and it may contain formulatory agents, such as suspending, preservative, stabilising and/or dispersing agents. Alternatively, the antibody molecule may be in dry form, for reconstitution before use with an appropriate sterile liquid.
Once formulated, the compositions of the invention can be administered directly to the subject. The subjects to be treated can be animals. However, it is preferred that the compositions are adapted for administration to human subjects.
The pharmaceutical compositions of this invention may be administered by any number of routes including, but not limited to, oral, intravenous, intramuscular, intra-arterial, intramedullary, intrathecal, intraventricular, transdermal, transcutaneous (for example, see WO 98/20734), subcutaneous, intraperitoneal, intranasal, enteral, topical, sublingual, intravaginal or rectal routes. Hyposprays may also be used to administer the pharmaceutical compositions of the invention. Typically, the therapeutic compositions may be prepared as injectables, either as liquid solutions or suspensions. Solid forms suitable for solution in, or suspension in, liquid vehicles prior to injection may also be prepared.
Direct delivery of the compositions will generally be accomplished by injection, subcutaneously, intraperitoneally, intravenously or intramuscularly, or delivered to the interstitial space of a tissue. The compositions can also be administered into a lesion. Dosage treatment may be a single dose schedule or a multiple dose schedule.
It will be appreciated that the active ingredient in the composition will be an antibody molecule. As such, it will be susceptible to degradation in the gastrointestinal tract. Thus, if the composition is to be administered by a route using the gastrointestinal tract, the composition will need to contain agents which protect the antibody from degradation but which release the antibody once it has been absorbed from the gastrointestinal tract.
A thorough discussion of pharmaceutically acceptable carriers is available in Remington's Pharmaceutical Sciences (Mack Publishing Company, N.J. 1991).
It is also envisaged that the antibody of the present invention will be administered by use of gene therapy. In order to achieve this, DNA sequences encoding the heavy and light chains of the antibody molecule under the control of appropriate DNA components are introduced into a patient such that the antibody chains are expressed from the DNA sequences and assembled in situ.
The present invention also provides an antibody molecule for use in the control of inflammatory diseases. Preferably, the antibody molecule can be used to reduce the inflammatory process or to prevent the inflammatory process.
The present invention also provides an antibody molecule of the present invention for use in the treatment or prophylaxis of a pathological disorder that is mediated by IL-17A and/or IL-17F or is associated with an increased level of IL-17A and/or IL-17F. Preferably, the pathological condition is selected from the group consisting of infections (viral, bacterial, fungal and parasitic), endotoxic shock associated with infection, arthritis, rheumatoid arthritis, asthma, pelvic inflammatory disease, Alzheimer's Disease, Crohn's disease, inflammatory bowel disease, Ulcerative colitis, Peyronie's Disease, coeliac disease, gallbladder disease, Pilonidal disease, peritonitis, psoriasis, vasculitis, surgical adhesions, stroke, Type I Diabetes, lyme arthritis, meningoencephalitis, immune mediated inflammatory disorders of the central and peripheral nervous system such as multiple sclerosis and Guillain-Barr syndrome, other autoimmune disorders, pancreatitis, trauma (surgery), graft-versus-host disease, transplant rejection, cancer (both solid tumours such as melanomas, hepatoblastomas, sarcomas, squamous cell carcinomas, transitional cell cancers, ovarian cancers and hematologic malignancies and in particular acute myelogenous leukaemia, chronic myelogenous leukemia, gastric cancer and colon cancer), heart disease including ischaemic diseases such as myocardial infarction as well as atherosclerosis, intravascular coagulation, bone resorption, osteoporosis, periodontitis and hypochlorhydia.
The present invention also provides an antibody molecule according to the present invention for use in the treatment or prophylaxis of pain.
The present invention further provides the use of an antibody molecule according to the present invention in the manufacture of a medicament for the treatment or prophylaxis of a pathological disorder that is mediated by IL-17A and/or IL-17F or associated with an increased level of IL-17A and/or IL-17F. Preferably the pathological disorder is rheumatoid arthritis or multiple sclerosis.
The present invention further provides the use of an antibody molecule according to the present invention in the manufacture of a medicament for the treatment or prophylaxis of pain.
An antibody molecule of the present invention may be utilised in any therapy where it is desired to reduce the effects of IL-17A and/or IL-17F in the human or animal body. IL-17 A and/or IL-17F may be circulating in the body or may be present in an undesirably high level localised at a particular site in the body, for example a site of inflammation.
An antibody molecule according to the present invention is preferably used for the control of inflammatory disease, autoimmune disease or cancer.
The present invention also provides a method of treating human or animal subjects suffering from or at risk of a disorder mediated by IL-17A and/or IL-17F, the method comprising administering to the subject an effective amount of an antibody molecule of the present invention.
An antibody molecule according to the present invention may also be used in diagnosis, for example in the in vivo diagnosis and imaging of disease states involving IL-17A and/or IL-17F.



The present invention is further described by way of illustration only in the following examples, which refer to the accompanying Figures, in which:
FIG. 1

    
    
        a) Light chain V region of antibody CA028_0496 (SEQ ID NO:7)
        b) Heavy chain V region of antibody CA028_0496 (SEQ ID NO:9)
        c) CDRH1 (SEQ ID NO:1), CDRH2 (SEQ ID NO:2), CDRH3 (SEQ ID NO:3), CDRL1 (SEQ ID NO:4), CDRL2 (SEQ ID NO:5), CDRL3 (SEQ ID NO:6) of antibody CA028_496.
        d) Light chain of antibody CA028_496 (SEQ ID NO:11).
        e) Heavy chain of antibody CA028_496 (SEQ ID NO:15).
        f) DNA encoding light chain of antibody CA028496 including signal sequence (SEQ ID NO:14).
        g) DNA encoding heavy chain of antibody CA028496 including signal sequence (SEQ ID NO:18)
        h) Mature human IL-17A.
        i) Mature human IL-17F.
    
    


FIG. 2a) The effect of antibody CA028_0496 (designated Ab#496 in legend) on human IL-17 induced IL-6 production from Hela cells. FIG. 2b) The effect of antibody CA028_0496 (designated Ab#496 in legend) on human IL-17F induced IL-6 production from Hela cells



DNA MANIPULATIONS AND GENERAL METHODS
E. coli strain INVαF′ (Invitrogen) was used for transformation and routine culture growth. DNA restriction and modification enzymes were obtained from Roche Diagnostics Ltd. and New England Biolabs. Plasmid preparations were performed using Maxi Plasmid purification kits (QIAGEN, catalogue No. 12165). DNA sequencing reactions were performed using the ABI Prism Big Dye terminator sequencing kit (catalogue No. 4304149) and run on an ABI 3100 automated sequencer (Applied Biosystems). Data was analysed using the program AutoAssembler (Applied Biosystems). Oligonucleotides were obtained from Invitrogen. The concentration of IgG was determined using IgG assembly ELISA.
IL-17 Isoforms
Recombinant IL-17A and IL-17F were purchased from R&D Systems.
Recombinant IL-17A/F heterodimer was produced by linking IL-17A and IL-17F using a GS linker. The heterodimer had the following sequence (SEQ ID NO:19) MGITIPRNPGCPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNE DPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHCPNSFRLEKIL VSVGCTCVTPIVHHVAGGGGSGGGGSGGGGSGGGGSRKIPKVGHTFFQKPESCPPVP GGSMKLDIGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEVVQAQCRNLGCIN AQGKEDISMNSVPIQQETLVVRRKHQGCSVSFQLEKVLVTVGCTCVTPVIHHVQ

Recombinant cynomolgus IL-17F (SEQ ID NO:20) MRKIPKVGHTFFQKPESCPPVPEGSMKLDTGIINENQRVSMSRNIESRSTSPWNYTVTWDPNR YPSEVVQAQCKHLGCINAQGKEDISMNSVPIQQETLVLRRKHQGCSVSFQLEKVLVTVGCTCV TPVIHHVQ

The DNA sequence encoding IL-17A/F heterodimer was chemically synthesised by Entelechon GmbH and was subcloned into pET43.1a at the NdeI/XhoI sites.
The DNA sequence encoding cyno L-17F was amplified by PCR using primers that introduced NdeI and XhoI restriction sites. The PCR products were ligated into pCR4Blunt-TOPO and sequence verified before digestion and ligation into pET43.1a at the NdeI/XhoI sites.
pET43.1a DNA encoding IL-17 isoforms was used to transfect BL21(DE3) cells and selected carbenicillin-resistant clones were grown at 37° C. overnight in 2TY broth containing 2% glucose and 50 μg/ml carbenicillin. The cultures were then diluted and grown in the same medium to an OD600 of 0.5-0.7, induced with 1 mM IPTG and grown at 37° C. for a further 4-5 hours.
Cells were harvested by centrifugation and inclusion bodies prepared from from the cells. Inclusion bodies were solubilised in 50 mM Tris-HCl, 5M guanidinium hydrochloride, 50 mM NaCl, 1 mM EDTA, 2 mM reduced glutathione, 0.2 mM oxidised glutathione, pH 8.5. IL-17 protein was refolded by dropwise addition of the solubilised protein to the above buffer without guanidinium hydrochloride, with vigorous stirring. The final volume was chosen such that the final protein concentration was no more than 0.1 mg/ml.
The refolded protein solution was concentrated if required, before buffer exchange with 10 mM MES pH6. The protein was then applied to a column of Sepharose SP HP equilibrated with 20 mM MES pH6. Protein was eluted with a linear gradient of 0-500 mM NaCl in MES pH6 over 10 column volumes. For IL-17F the gradient was extended to 600 mM NaCl. In order to further purify IL-17, the relevant fraction from the Sepharose SP HP column were pooled, concentrated and diluted with 20 mM CAPSO (pH10) and applied to a Mono Q column equilibrated with 20 mM CAPSO. Protein was eluted with a linear gradient of 0-250 mM NaCl in 20 mM CAPSO over 20 column volumes. Fractions containing IL-17 were pooled and neutralised using 1M MES pH6.
Example 1: Production of a Neutralising Anti-IL-17 Antibody
Female Sprague Dawly rats were immunised with recombinant human IL-17 (purchased from R & D systems). Rats received four immunisations of 20 μg IL-17 in 100 μl Freund's adjuvant. Antibody 225 which binds human IL-17 was isolated using the methods described in WO04/051268. Genes for the heavy chain variable domain (VH) and light chain variable domain (VL) of antibody 225 were isolated and sequenced following cloning via reverse transcription PCR.
A series of humanised VL and VH regions were designed using human V-region acceptor frameworks and by varying the number of donor residues in the framework regions. Eight grafted VL regions (gL1-8) and 9 grafted VH regions (gH1-9) were designed and genes were built by oligonucleotide assembly and PCR mutagenesis.
The light chain grafted sequences were sub-cloned into the human light chain expression vector pKH10.1 which contains the DNA encoding the human C-Kappa constant region (Km3 allotype). The heavy chain grafted sequences were sub-cloned into the human gamma-4 expression vector pVhg4P FL, which contains the DNA encoding the human gamma-4 constant region containing the hinge stabilising mutation S241P (Angal et al., supra). Plasmids were co-transfected into CHO cells and the antibodies produced screened for activity in IL-17 binding and neutralisation assays. Transfections of CHO cells were performed using the LipofectamineTM 2000 procedure according to manufacturer's instructions (InVitrogen, catalogue No. 11668).
The most optimal graft based on expression, affinity and neutralisation potency (gL7gH9) was selected and named CA028_0496 (also referred to herein as 496). The V region sequences of this antibody are shown in FIG. 1(a) and (b) and in SEQ ID NOs: 7 and 9 for the light chain (gL7) and heavy chains (gH9) respectively.
The heavy chain acceptor framework is the human germline sequence VH3 1-3 3-07 with framework 4 coming from this portion of the human JH-region germline JH4. The light chain acceptor framework is the human germline sequence VK1 2-1-(1) L4, with framework 4 coming from this portion of the human JK-region germline JK1.
Example 2: Antibody CA028_0496 Neutralises IL-17 and IL-17F and IL-17a/F Heterodimer
HeLa Cells
The potency of antibody CA028_0496 against human recombinant IL-17 and human recombinant IL-17F in Hela cells was tested and compared to antibody CDP435 (WO06/054059). Hela cells were obtained from the cell bank at ATCC (ATCC CCL-2). Cells were grown in Dulbecco's modified Eagle's medium (DMEM) supplemented with 10% foetal calf serum, penicillin, gentamycin and glutamine. 1×104 cells were plated out into 96 well flat bottomed tissue culture plates. Cells were incubated overnight and washed once in assay buffer. Either human IL-17A (25 ng ml−1) or human IL-17F (125 ng ml−1) was incubated in the presence of a fixed concentration of human TNF-αc this mixture was preincubated with antibody CA028_0496 or antibody CDP435. Cytokine plus antibody was then added to the Hela cells which were incubated overnight. The production of IL-6 in the cell culture supernatant was proportionate to the amount of IL-17A/IL-17F added to the cells. Human IL-6 levels were measured by ELISA and quantified by comparison with known standard concentrations of human IL-6.
The data (FIGS. 2a & 2b) indicates that CA028_0496 potently neutralised human recombinant IL-17A and also had some activity against human IL-17F. The data from these experiments indicated that antibody CA028_0496 gave an IC50 of 43 ng/ml against human recombinant IL-17 (25 ng ml−1) & 1477 ng/ml against recombinant IL-17F (125 ng ml−1). Accordingly, antibody CA028_0496 gave an IC50 of 0.29M against human recombinant IL-17 (0.78 nM) and 10.18 nM against human recombinant IL-17F (4.16 nM) in this assay (calculation based on per IgG assuming a molecular weight of 145,000 as an average IgG4 and assuming that IL-17A and IL-17F are dimers).
Human Microglia Cells
Human microglia cells (TCS Cellworks) were plated out in a flat bottom 96-well plate at 5,000 cells per well in a total volume of 100 μl and left for 24 hours to attach to the plastic. At this time titrations (5, 1, 0.2 and 0.04 μg/ml) of human recombinant IL-17A, human recombinant IL-17F, cynomolgus recombinant IL-17F and human recombinant IL-17A/F heterodimer in the presence and absence of 10 ng/ml human recombinant TNFα were added to wells in triplicate. Control wells contained no stimulation, IL-17A alone (100 ng/ml), TNFα alone and IL-17A and TNFα together. All cytokines were added in a total volume of 110 μl/well, making the total well volume 210 μl. In experiments involving antibodies, cells were plated out in the same way. After 24 hours antibodies and cytokines were added at the same time to give the stated final concentrations in a total final volume of 200 μl.
After a further 24 hours incubation at 37° C., supernatants were harvested and frozen at −20° C. until analysis. For analysis, supernatants were diluted 1/10 and measured for IL-6 using a human IL-6 MSD kit, according to manufacturer's instructions.
All isoforms of IL-17 tested were found to be active in the assay, particularly in the presence of TNFα.
The potency of antibody CA028_0496 against human recombinant IL-17A and human recombinant IL-17F, cynomolgus recombinant IL-17F and human recombinant IL-17A/F heterodimer in human microglia cells was tested in the presence of TNFα and compared to a control antibody and an IL-17A specific antibody using the method described above.
The control antibody had no effect on the activity of any of the cytokines tested. Antibody CA028_0496 had inhibitory activity against all three cytokines IL-17, IL-17F and IL-17A/F, including cynomolgus IL-17F while the IL-17A specific antibody only had inhibitory activity against IL-17A and IL-17A/F heterodimer.
Example 3: Affinity of Antibody CA028_0496 (Human IgG4 Constant Regions) for IL-17A and IL-17F
BIA (Biamolecular Interaction Analysis) was performed using a Biacore 3000 (BiacoreAB).
All experiments were performed at 25° C. Affinipure Fc Fragment goat anti-human IgG, Fc fragment specific (Jackson ImmunoResearch) was immobilised on a CMS Sensor Chip via amine coupling chemistry to a capture level of ≈6000 response units (RUs). HBS-EP buffer (10 mM HEPES pH 7.4, 0.15 M NaCl, 3 mM EDTA, 0.005% Surfactant P20, Biacore AB) was used as the running buffer with a flow rate of 10 μl/min. A 10 μl injection of antibody CA028_0496 (1.81 mg/ml) was used for capture by the immobilised anti-human IgG-Fc. Human IL-17A and IL-17 isoforms were titrated over the captured CA028_0496 at doubling dilutions from 50 nM to sub nM at a flow rate of 30 μL/min. The surface was regenerated by a 30 μL injections of 40 mM HCl, followed by one 5 μL injection of 5 mM NaOH.
Background subtraction binding curves were double referenced and analysed using the BIAevaluation software (version 3.2) following standard procedures. Kinetic parameters were determined from the fitting algorithm.
The affinity value determined for antibody CA028_0496 binding IL-17A was 16 pM and 1750 pM for IL-17F. Antibody CA028_0496 did not bind to the other IL-17 isoforms (IL-17 B, C, D and E). Antibody CA028_0496 therefore specifically binds IL-17A and IL-17F.
Example 4: Affinity of Antibody CA028_0496 (Murine IgG1 Constant Regions) for IL-17A, Cynomolgus IL-17F and IL-17A/F Heterodimer
BIA (Biamolecular Interaction Analysis) was performed using a Biacore 3000 (Biacore AB).
All experiments were performed at 25° C. Affinipure F(ab′)2 fragment goat anti-mouse IgG, Fc fragment specific (Jackson ImmunoResearch) was immobilised on a CMS Sensor Chip (Biacore AB) via amine coupling chemistry to a capture level of ≈6000 response units (RUs). HBS-EP buffer (10 mM HEPES pH 7.4, 0.15 M NaCl, 3 mM EDTA, 0.005% Surfactant P20, Biacore AB) was used as the running buffer with a flow rate of 10 μL/min. A 10 μL injection of antibody CA028_0496 at 4 ug/mlL was used for capture by the immobilised anti-mouse IgG, Fc. Human IL-17A, cyno IL-17F and heterodimer A/F were titrated over the captured CA028_0496 at doubling dilutions from 25 nM to sub nM at a flow rate of 30 μL/min. The surface was regenerated at a flowrate of 10 uL/min by a 10 μL injection of 40 mM HCl, followed by a 5 μL injection of 5 mM NaOH.
Double referenced background subtracted binding curves were analysed using the BIAevaluation software (version 3.2) following standard procedures. Kinetic parameters were determined from the fitting algorithm.
Antibody CA028_0496 had an affinity of 21 pM for IL-17A, 116 pM for IL-17A/F heterodimer and 1030 pM for cynomolgus IL-17F.
Example 5: Epitope Mapping by NMR of a Fab′ Fragment Comprising the Variable Regions of Antibody CA028_0496
Antibody CA028_0496 was produced as a Fab′ fragment comprising '496 variable regions and murine IgG1 constant regions (SEQ ID NO:162323 and 241724).









Heavy chain sequence



(SEQ ID NO: 231623)



EVQLVESGGG LVQPGGSLRL SCAASGFTFS DYNMAWVRQA


 



PGKGLEWVAT ITYEGRNTYY RDSVKGRFTI SRDNAKNSLY


 



LQMNSLRAED TAVYYCASPP QYYEGSIYRL WFAHWGQGTL


 



VTVSSAKTTP PSVYPLAPGS AAQTNSMVTL GCLVKGYFPE


 



PVTVTWNSGS LSSGVHTFPA VLQSDLYTLS SSVTVPSSTW


 



PSETVTCNVA HPASSTKVDK KIVPRDCGCA AAIQLTQSPS


 



SLSASVGDRV TITCRADESV TTLMHWYQQK PGKAPKLLIY


 



LVSNRESGVP SRFSGSGSGT DFTLTISSLQ PEDFATYYCQ


 



QTWSDPWTFG QGTKVEIKRT DAAPTVSIFP PSSEQLTSGG


 



ASVVCFLNNF YPKDINVKWK IDGSERQNGV LNSWTDQDSK


 



DSTYSMSSTL TLTKDEYERH NSYTCEATHK TSTSPIVKSF


 



NRNEC


 



Light chain sequence



(SEQ ID NO: 172424)



AIQLTQSPSS LSASVGDRVT ITCRADESVT TLMHWYQQKP


 



GKAPKLLIYL VSNRESGVPS RFSGSGSGTD FTLTISSLQP


 



EDFATYYCQQ TWSDPWTFGQ GTKVEIK






Transient Expression of CA028_00496.g1 mFab′ in a 10 L Wave Bioreactor

For the transfection of the HEK 293 F cells in a 10 L wave bag, 10 L of the in-house NM6 medium was prepared and supplemented with 2 mM Glutamax (Invitrogen). The cells were counted and seeded into the bag at a final cell density of 1×106 cells/ml. The transfection mixture was prepared in 700 ml of NM6 medium. For the preparation of the transfection mixture the NM6 medium was divided into two halves. To one half 5 mg of the heavy chain plasmid DNA and 5 mg of the light chain plasmid DNA was added and gently shaken. To the other half 37 ml of a 1 mg/ml linear 25 kD polyethylenimine (PEI) stock solution was added and gently shaken. Thereafter NM6 medium containing the DNA was slowly transferred to the NM6 medium containing the PEI. The mixture was incubated at room temperature for 20 minutes before added to the cell suspension in the wave bag. The transfected cells were cultured over 14 days at 25 rpm, a 7° angle, 37° C. and 5% CO2. Samples were taken regularly to determine the cell density and viability. On day 14 post transfection cells were harvested. The 10 L cell suspension was transferred to centrifuge bottles and spun at 4000 rpm for 45 min. The supernatant was then passed through a Sartobran (0.45 μm to 0.2 μm) filter and finally through a Millipack Gold60 (0.22 μm) sterile filter. Fab′ was then purified from the sterile filtered supernatant.
Purification of CA028_00496.g1 mFab′
Transiently expressed CA028_00496.g1 mFab′ was purified from mammalian host cells (HEK293F) as follows. The mammalian host cell conditioned medium containing secreted CA028_00496.g1 mFab′ was concentrated 10 fold by tangential flow ultrafiltration (TFF) using a 10,000 MWCO membrane. The concentrated supernatant was passed down a GammaBind Plus Sepharose column (media supplied by GE Healthcare) which had been equilibrated with 75 mM citrate/phosphate buffer, pH6.0. After loading, the GammaBind Plus Sepharose column was washed with 75 mM citrate/phosphate buffer, pH6.0 until the absorbance at 280 nm of the flow-through returned to baseline. The CA028_00496.g1 mFab′ was then eluted from the column by stepping into 0.1M glycine-HCl buffer, pH2.7. The absorbance at 280 nm of the eluate was monitored and fractions containing protein were collected. Supernatant loading and column elution were performed in two batches so as not to exceed the capacity of the column.
Fractions containing protein were combined and buffer exchanged (by diafiltration) into 0.1M sodium phosphate buffer, pH6.0+2 mM EDTA using an Amicon stirred cell and 10,000 MWCO membrane. The affinity purified CA028_00496.g1 mFab′ was concentrated to 20 mg/ml prior to reduction. Disulphide bonded cysteines at the hinge region were reduced by incubating the Fab′ with 5 mM β-Mercaptoethylamine at 37° C. for 30 minutes. The reduction was stopped by adding 50 mM N-Ethylmaleimide (NEM) to cap the reduced thiol groups. The capping reaction was incubated at +4° C. overnight. Excess capping agent and high molecular weight impurities were removed by preparative Gel Filtration. The reduced and capped Fab′ was loaded onto a Superdex 200 column (GE Healthcare) and eluted in PBS, pH7.4. The absorbance at 280 nm of the eluate was monitored and fractions containing protein were collected. Fractions were analysed for purity by analytical SE-HPLC using a Zorbax GF250 column (Agilent) run in 0.2M sodium phosphate buffer, pH7.0. Fractions containing pure Fab′ were combined, 0.22 m sterile filtered and stored at +4° C. Final purity was analysed by SE-HPLC (as above) and non-reducing and reducing SDS-PAGE.
Preparation of dN- and dCN-Labelled hIL17A
The DNA sequence encoding IL-17A was amplified by PCR using primers that introduced NdeI and XhoI restriction sites. The PCR products were ligated into pCR4Blunt-TOPO and sequence verified before digestion and ligation into pET43.1a at the NdeI/XhoI sites.
hIL17A-pET43.1a was used to transform E. coli strain BL21(DE3). 1 ml of LB inoculated with transformed cells. Cells incubated overnight at 37° C. Dense overnight culture used to inoculate 30% dN labelled Celltone media at 1:40 dilution. Cells incubated overnight at 37° C. Dense overnight culture then used to inoculate 30% dN- or dCN-labelled Celltone media. Culture incubated overnight at 37° C. This step was then repeated with 70% media and then finally with 100% media. 100% dN- or dCN-labelled media inoculated with dense overnight culture and grown to 0.8 OD 595 nm. Culture induced with a final concentration 1 mM IPTG and incubated for 6 hours at 37° C. Cells harvested by centrifugation.
Inclusion Bodies Extracted (for 2 L of Culture).


    
    
        1) Resuspend cell pellet in 40 ml Buffer A (100 mM KCl, 2 mM DTT, 2 mM PMSF, 10 mM Tris-HCl pH 8.5, 25% (w/v) sucrose)
        2) Add 10 ml Buffer B (300 mM Tris-HCl pH 8.5, 100 mM EDTA, 4 mg/ml lysozyme) Incubate on ice for 10-30 minutes with occasional swirling.
        3) Add 50 ml Buffer C (1M LiCl, 20 mM EDTA, 0.5% (v/v) NP-40). Sonicate sample to homogenise. Pass sample through French Press at 20,000 psi. Pass sample through French Press again. Spin sample at 10,000 rpm for 10 minutes @ 4° C.
        4) Resuspend pellet in 40 ml Buffer D (10 mM Tris-HCl pH 8.5, 0.1 mM EDTA, 0.5M LiCl, 0.5% (v/v) NP-40, 1 mM DTT, 1 mM PMSF). Sonicate to homogenise and spin at 10,000 rpm for 10 minutes @ 4° C. Repeat step.
        5) Resuspend pellet in 40 ml Buffer E (10 mM Tris-HCl pH 8.5, 0.1 mM EDTA, 0.5% (v/v) NP-40, 1 mM DTT, 1 mM PMSF). Sonicate to homogenise and spin at 10,000 rpm for 10 minutes @ 4° C. Repeat step.

Resolubilisation of Pellet

        6) Make up 6M Guanidine HCl, 50 mM Tris-HCl pH8.5, 50 mM NaCl. Add to pellet. Stir pellet until completely dissolved.
    
    


7) Filter sample through a 0.2 uM syringe filter.
Refolding and Dialysis


    
    
        1) 2.5 ml resolubilised inclusion bodies diluted into 50 ml of 5M Guanidine-HCl, 50 mM Tris pH8.5, 50 mM NaCl, 1 mM EDTA, 2 mM reduced-Glutathione, 0.2 mM oxidised-Glutathione.
        2) Diluted inclusion bodies added drop wise to 500 ml of 50 mM Tris pH8.5, 50 mM NaCl, 1 mM EDTA, 2 mM reduced-Glutathione, 0.2 mM oxidised-Glutathione.
        3) Refolded protein dialyse against 20 mM MES pH6 overnight at 4° C.

Purification of Labelled Protein

        1) Dialysed lysate loaded onto a Mono SP HP (cation) column equilibrated with 20 mM MES pH6
        2) Protein eluted with 50% NaCl gradient over 10 column volumes.
        3) Eluted protein buffer exchanged into 20 mM NaPi, 100 mM NaCl, 0.02% azide pH6 and concentrated and assayed for concentration.

Purification of Unlabelled Protein

        1) Dialysed lysate loaded onto a Mono SP HP (cation) column equilibrated with 20 mM MES pH6.
        2) Protein eluted with 50% gradient of 1M NaCl over 10 column volumes.
        3) Eluted protein concentrated and buffer exchanged into 20 mM CAPSO buffer pH10 and loaded onto a MonoQ column equilibrated with 20 mM CAPSO buffer pH10.
        4) Protein eluted with 50% gradient of 1M NaCl over 20 column volumes.
        5) Eluted protein concentrated.
        6) Concentrated protein injected onto a Superdex 75 16?60 column for a final polishing step. Column equilibrated with 20 mM HEPES, 50 mM NaCl pH7.4. Eluted protein collected and concentrated and assayed for concentration.

Principle of the NMR Epitope Mapping Assay

    
    


The NMR technology allows the sensitive detection of changes in the environment of paramagnetic species. In practice this means that a protein that has been uniformly 15N and 2H labelled can be mixed with an unlabelled binding partner and those amino acids in the labelled protein that interact with the unlabelled binding partner can be detected as their position within the NMR spectra change. In this case, human IL-17A was uniformly labelled and its NMR spectra recorded in the presence and absence of the Fab′ fragment of an anti-IL-17A antibody. The difference between the two spectra enables the amino acids in IL-17A that are involved in the interaction with the antibody to be identified.
NMR Spectroscopy
The NMR experiments were carried out on 0.35 mL samples of the proteins and complexes in a 25 mM sodium phosphate, 100 mM sodium chloride and 0.01% (w/v) sodium azide buffer at pH 6 (95% H2O and 5% D2O). The 1:2 (dimer:Fab) complex between 15N/2H labelled IL-17A and the unlabelled Fab′ fragment of antibody '496 was prepared for NMR analysis by mixing equimolar (monomer:Fab) amounts of the proteins to achieve a final concentration of 0.25 mM. The NMR data were acquired at 35° C. for free IL-17A and for the IL-17A:Fab′ fragment of '496 complex on a 800 MHz Bruker Avance spectrometer equipped with a triple-resonance (15N/13C/1H) cryoprobe. TROSY-based HNCACB, HN(CO)CACB and HNCO spectra (1-4) were used to make complete sequence-specific backbone resonance assignments (15N, 13C and 1H) for free IL-17A using a 0.8 mM uniformly 15N/13C labelled sample.
Changes in the positions of IL-17A backbone signals induced by the Fab′ fragment of '496 binding were detected using a 2D 15N/1H TROSY spectrum (5). Typical acquisition parameters for all the NMR experiments are set out below.










Basic parameters of NMR experiments.













Sweep 
Carrier
Acquisition



Indirect
width
offset
time 


Experiment
dimension
[ppm]
[ppm]
[ms]














TROSY-HNCACB &
15N (F2)
32
118.0
19.3


TROSY-HN(CO)CACB
13C (F1)
56
44.0
8.0


TROSY-HNCO
15N (F2)
32
118.5
20.6



13C (F1)
11.5
175.5
24.8


2D 15N/1H HSQC
15N (F1)
34
118.0
80


2D 15N/1H TROSY
15N (F1)
34
117.5
50









The direct 1H dimension (F3 or F2) was acquired with a sweep width of 14 ppm and acquisition time of 90 or 60 ms.
All the spectra were processed using Topspin 2.1, with linear prediction used to extend the effective acquisition time in the 15N dimension of 3D data to about 30 ms. Mild resolution enhancement was applied in all dimensions using a shifted sine-squared function. Analysis of the spectra was carried out using Sparky (7).
Analysis of Fab′ Binding Data
The minimal shift approach (Farmer, B. T. et al., (1996) Nat Struct Mol Biol 3(12), 995; Muskett, F. W. et al., (1998) J Biol Chem 273(34), 21736-21743) was used to determine the changes in the positions of IL-17A NMR signals resulting from the Fab′ fragment of '496 binding to human IL-17A. Initially, all peaks in the 2D 15N/1H HSQC spectrum of free IL-17A and 2D 15N/1H TROSY spectrum of IL-17A bound to the Fab′ fragment of '496 were picked in their centres. The 15N and 1H chemical shift values of backbone resonances were corrected for the difference in the 2D 15N/1H TROSY and 2D 15N/1H HSQC spectra of the complex and free protein (0.58 ppm for 15N and −0.06 ppm for 1H). The minimum change in position for peaks between free and Fab′-bound IL-17A was obtained by using Microsoft Excel to calculate the combined chemical shift difference in 15N and 1H for each assigned peak in the 15N/1H HSQC spectrum of the free protein compared to all observed peaks in 15N/1H TROSY spectrum of the Fab′ complex. The combined amide proton and nitrogen chemical shift differences (Δδ) were defined according to the following equation (Equation 1), where ΔδHN and ΔδN correspond to the differences in 1H and 15N shifts between pairs of compared peaks and αN is a scaling factor of 0.2 required to account for differences in the range of amide proton, amide nitrogen and carbon chemical shifts. For each individual peak, the minimal shift induced by Fab′ binding was taken as the lowest possible combined shift value (Δδ).

Δδ=√{square root over ((ΔδHN)2+(ΔδN·αN)2)}  (Equation 1)

To identify the Fab′ binding sites (epitopes) on IL-17A, a histogram of combined minimal shift versus protein sequence was used to reveal regions of IL-17A containing significantly perturbed signals. If the size of the combined chemical shift change for individual amino acids exceeded a threshold value, these residues were selected for further evaluation as possible contact residues in the Fab′ binding site. It will be appreciated that these possible ‘contact’ residues may be involved in binding by direct or indirect (e.g. allosteric) interactions with the Fab′. The threshold values were set as +1.5×SD of all the minimal shift data, the mean minimal shift +1 SD and the mean minimal shift +2 SD. The locations of candidate binding site residues were finally examined on the high resolution structure of IL-17A and only residues positioned on the protein surface were considered to be available for Fab′ binding.
Residues selected as possible ‘contact’ residues based on shifts>+1.5×SD of all the minimal shift data, solvent accessibility>25%:
SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131.
Residues selected as possible ‘contact’ residues based on shifts>the mean+1 SD of all minimal shift data, solvent accessibility>25%:
SER41, TYR44, ASN45, TRP51, ASN52, HIS54, ARG72, HIS73 and ASP84.
Residues selected as possible ‘contact’ residues based on shifts>the mean+2 SD of all minimal shift data, solvent accessibility>25%:
TYR44, ASN45, TRP51, ASN52 and ASP84.
The NMR technique described above was also used to identify the Fab′ binding sites (epitopes) on IL-17F.
The threshold values were set as the mean minimal shift, the mean minimal shift +0.5 SD and the mean minimal shift +1 SD. The locations of candidate binding site residues were finally examined on the high resolution structure of IL-17F and only residues positioned on the protein surface were considered to be available for Fab′ binding.
Residues selected as possible ‘contact’ residues based on shifts>mean of all the minimal shift data, solvent accessibility>20%:
GLN12, LYS13, SER24, ISO32, ASN33 GLU34, ASN35, GLN36, VAL38, SER46, ASN53, TYR54, GLN69, ISO78, ASP85, SER87, MET88, ASM89, GLN94, LYS103 and THR126.
Residues selected as possible ‘contact’ residues based on shifts>the mean+0.5 SD of all minimal shift data, solvent accessibility>20%:
GLN12, SER24, ASN33, GLU34, GLN36, VAL38, ASN53, TYR54, ASP85, MET88, ASM89, and THR126.
Residues selected as possible ‘contact’ residues based on shifts>the mean+1 SD of all minimal shift data, solvent accessibility>20%:
GLN12, SER24, ASN33, GLU34, ASP85 and MET88.
Example 6: Modelling of Antibody 496 Binding on IL-17F
The probable binding site for antibody 496 on human IL-17F was determined by homology modelling and docking.
MODELLER (Sali, A. & Blundell, T. L., (1993) J. Mol. Biol. 234(3), 779-815) was used to build a homology model of antibody 496, using the x-ray structure of antibody CA048_497 (antibody described in WO2008/001063). The overall sequence identity between the two antibodies is 82%. At such high similarity level, the homology modelling process is well understood by anyone who is skilled in the art.
The homology model of antibody 496 was then docked to the x-ray structure of IL17A/F heterodimer using RosettaDock (Gray, J. J., et. al., (2003) J. Mol. Biol., 331(1), 281-299) in order to build a 3D model of the complex. A global unrestricted docking process was carried out to generate 10,000 decoys (i.e., potential docking solutions). The top 10 decoys with lowest energy scores, according to RosettaDock, were selected for perturbation study to probe the energy landscape around each docking solution. The perturbation studies were again carried out using RosettaDock. Decoys that had funnel-like energy landscape were promoted as potential candidates.
The potential candidates were then screened against proximity to residues ASP80, GLY81 and ASN82 of the IL17A subunit and to residues GLN81, GLY82 and LYS83 of the IL17F subunit. Candidates that had antibody 496 located within 4 angstroms from any of such residues were discarded. Note that residues ASP80, GLY81 and ASN82 of IL17A, which are structurally equivalent to residues GLN81, GLY82 and LYS83 of IL17F, were not identified as possible contact residues by the minimal shift data as shown in Example 5, but were identified as possible contact residues when the binding of antibody CA048_497 and IL17A was studied using the same technique (data not shown).
The remaining candidates were then screened for proximity to IL17F residues ARG42, GLU45, SER46, ARG47, TRP52, ASN53, THR55, ARG73, ASN74, LEU75, ASP85 and SER87 (“IL17F-496 Key Residues”), which are structurally equivalent to the possible IL17A contact residues specified in Example 5. Note that the residues that are structurally equivalent to VAL128, HIS129 and VAL131 of IL17A are not present in the x-ray structure IL17F and thus ignored. The candidate with the lowest sum of distances between “IL17F-496 Key Residues” and antibody 496 was selected as the final docking solution.
The proximity screening protocols were carried out using PyMol (DeLano, W. L. The PyMOL Molecular Graphics System (2002) on World Wide Web http://www.pymol.org). According to the final docking solution, antibody 496 is expected to bind IL-17F at one or more of the following residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, CYS72, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PRO92, GLN94, THR119, CYS122, VAL125, THR126, PRO127, VAL128.
Antibody 496 is expected to bind within one or more of the following regions, comprising amino acid residues:
39-42 (SER39, MET40, SER41, ARG42) SEQ ID NO: 8
47 (ARG47)
53 (ASN53)
72-75 (CYS72, ARG73, ASN74, LEU75) SEQ ID NO: 10
83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PRO92) SEQ ID NO: 12
94 (GLN94)
119 (THR119)
122 (CYS122)
125-128 (VAL125, THR126, PRO127, VAL128) SEQ ID NO: 13.
Note that CYS72, SER90, THR119, CYS122 and VAL125 are less than 25% solvent accessible, according to the x-ray structure of IL17F, thus may not directly interact with antibody 496. These residues, however, are likely to support surrounding residues that are making direct contacts with antibody 496.
Therefore antibody 496 is expected to bind IL-17F at one or more of the following residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127, VAL128.
Example 7
The interaction between 496 and IL-17f was studied by x-ray crystallography.
Crystallisation, Structure Determination and Refinement of the crystal structure of Human IL17f complexed with 496 Fab
Crystallisation
The human IL17f/496 Fab complex crystallized as pyramids from hanging drops through the vapour phase at 18.5° C. against a reservoir of 500 μl solution containing 0.85M ammonium sulfate, 0.2M sodium potassium tartrate and 0.05M Tris buffer pH 6.9 for 1-2 weeks in Hampton Research VDXm plates. The drops contained 1 μl of protein at 10 mg/ml in 20 mM Hepes pH 7.4, 50 mM NaCl, 0.02% azide, and 1 μl reservoir solution. The crystals belong to the space group H32 with cell dimensions a=b=189.4; c=490.9, and three molecules of the IL17f/496 Fab in the asymmetric unit.
X-Ray Diffraction Collection
We collected the x-ray diffraction data through a single IL17f/496 Fab crystal suspended in a litho loop and flash frozen under liquid nitrogen, after briefly passing the crystal through a cryoprotectant solution containing 1.3M ammonium sulphate, 0.2M sodium potassium tartrate and Tris buffer pH 6.9 and 30% glycerol. The diffraction data was collected on an ADSC Quantum 4 charge coupled device at the 103 beamline station at the Diamond synchrotron, Didcot, Oxfordshire, UK. The wavelength of the monochromatic x-ray beam was 0.9796 Å. The reciprocal space was sampled at 1.0° oscillation steps around the φ goniostat axis. The data were processed with Mosflm (Leslie, A G W, Joint CCP4+ESF-EAMCB Newsletter on Protein Crystallography, No. 26; CCP4, Collaborative Computational Project, Number 4. Acta Cryst. D50, 760-763 (1994)).
Structure Determination
The crystal structure of human IL17f/496 Fab complex was determined in two steps. First the Fab position was located with the molecular replacement program Phaser (Read, R J, Acta Cryst. D57, 1373-1382 (2001)), using the Fab with the PDB code 1L7I stripped of water molecules. The cross rotation and translation functions were carried out at 4.0 Å resolution and default settings. Three molecules of Fab were located. The searches after translation translation yielded a solution with a high R-factor of after rigid body refinement in CNX (Brunger, A et al, Science, 235, 458-460 (1997)). Although electron density for IL17f was visible in 2Fo-Fc electron density maps, a molecular replacement solution for IL17f, using IL17f (PDB code 1JPY) was not found. Instead a structure of an IL17a dimer was used to locate this molecule. A solution was found that corresponded to its location along a 2-fold axis. After selecting one half of the IL17a, and overlaying IL17f, a new search model was created that contained one Fab and one half of an IL17f dimer, with resides at the N-terminus removed that caused symmetry clashes. This search model was used to define the final molecular replacement solution for this half-complex.
Model Building and Refinement
The 496 Fab/IL17f structure was built from the rotation and translation operations found by molecular replacement. Using 2Fo-Fc and Fo-Fc electron density maps, residues in the Fab model were changed to reflect the sequence in the 496 Fab. According to these maps, one can establish the 496 Fab rough model by altering side chain conformations, replacing amino acids present in the model structure by those in the 496 Fab as well as by adding or deleting residues. Adjustments in residue conformer orientations were made for IL17f. We used the interactive computer program O (Jones, T A et al., Acta Cryst. A47, 110-119 (1991)) to perform these manipulations.
This rough model was subjected to rounds of simulated annealing, positional and B-factor refinement using CNX, followed by manual intervention. The refinement and manual rebuilding was monitored by the quality of the 2Fo-Fc and Fo-Fc electron density maps as well as the value of the crystallographic R and R-free value. The resolution used through the refinement was increased gradually from 4.0 A to 3.2 Å as the refinement proceeded, with a bulk solvent correction used throughout. The model of IL17f/496 Fab complex encompasses residues 15 to 133 of IL17f (see SEQ ID NO. 22), residues 1 to 214 of the light chain of 496 Fab (SEQ ID NO 11) and residues 1 to 227 of the heavy chain of 496 Fab (SEQ ID NO 15). The R-factor of the model is 0.243, and R-free is 0.288 for 56128 reflections. The rms deviation from standard geometry (Engh, R et al., Acta Cryst., A47, 392-400 (1991)) is 0.009 Å for bond lengths and 1.48° for bond angles.
The Epitope
The interaction between 496 and IL-17f (which is a covalent homodimer) studied by x-ray crystallography was of a complex of 496 Fab fragments incubated with human IL-17f. The structure reveals the major contact sites between 496 Fab and IL-17f, and were identified as clustered mainly at the CDR loops of the antibody and along part of the length of IL-17f, interacting with both chains of IL-17f. According to the numbering sequence shown in SEQ ID NO. 22 for the mature IL-17f protein, i.e., the IL-17f protein from which the signal peptide has been cleaved, the residues which interact most closely with the CDR region of 496 Fab within 3.0 A, are Gln71, Cys72, Ile86, Asn89, Ser90 and Val128 from the first chain, and Arg47 from the second chain. Major residues of IL-17f that contact 496 Fab within 3.5 A are Gln71, Cys72, Asn74, Leu75, Ile86, Asn89, Ser90, Pro92, Val128, His131 and Gln133 from the first chain, and Arg37, Ser39, Ser41 and Arg47 from the second chain. Residues that contact 496 Fab within 4.0 A are Gln71, Cys72, Arg73, Asn74, Leu75, Ile86, Ser87 Asn89, Ser90, Val91, Pro92, Val128, His131 and Gln133 from the first chain, and Asn33, Gln36, Arg37, Ser39, Ser41, Arg42, Ile44 and Arg47 from the second chain. These residues define the epitope of the 496 antibody.







TABLE 1





The atomic coordinates of IL17F in complex with 496 Fab


(H32; a = 189.4; b = 189.4; c = 490.9, α, β = 90°; γ = 120°)



























ATOM
1
CB
ALA
A
1
64.135
−69.931
−35.658
1.00
101.85
MOL1
C


ATOM
2
C
ALA
A
1
63.428
−68.932
−37.846
1.00
100.38
MOL1
C


ATOM
3
O
ALA
A
1
63.710
−68.947
−39.048
1.00
103.91
MOL1
O


ATOM
4
N
ALA
A
1
64.812
−67.616
−36.255
1.00
97.55
MOL1
N


ATOM
5
CA
ALA
A
1
64.533
−68.979
−36.793
1.00
100.78
MOL1
C


ATOM
6
N
ILE
A
2
62.175
−68.869
−37.394
1.00
93.65
MOL1
N


ATOM
7
CA
ILE
A
2
61.034
−68.831
−38.303
1.00
84.13
MOL1
C


ATOM
8
CB
ILE
A
2
59.767
−68.352
−37.603
1.00
84.62
MOL1
C


ATOM
9
CG2
ILE
A
2
58.563
−68.791
−38.396
1.00
85.22
MOL1
C


ATOM
10
CG1
ILE
A
2
59.667
−68.961
−36.210
1.00
89.64
MOL1
C


ATOM
11
CD1
ILE
A
2
59.427
−70.445
−36.220
1.00
98.49
MOL1
C


ATOM
12
C
ILE
A
2
61.326
−67.860
−39.422
1.00
77.53
MOL1
C


ATOM
13
O
ILE
A
2
61.538
−66.687
−39.176
1.00
75.73
MOL1
O


ATOM
14
N
GLN
A
3
61.335
−68.350
−40.650
1.00
76.57
MOL1
N


ATOM
15
CA
GLN
A
3
61.622
−67.506
−41.795
1.00
82.12
MOL1
C


ATOM
16
CB
GLN
A
3
62.718
−68.157
−42.649
1.00
92.76
MOL1
C


ATOM
17
CG
GLN
A
3
64.019
−68.483
−41.902
1.00
101.08
MOL1
C


ATOM
18
CD
GLN
A
3
65.144
−67.494
−42.192
1.00
106.71
MOL1
C


ATOM
19
OE1
GLN
A
3
65.504
−67.266
−43.353
1.00
109.71
MOL1
O


ATOM
20
NE2
GLN
A
3
65.711
−66.911
−41.138
1.00
104.54
MOL1
N


ATOM
21
C
GLN
A
3
60.369
−67.277
−42.642
1.00
81.94
MOL1
C


ATOM
22
O
GLN
A
3
59.813
−68.215
−43.222
1.00
85.46
MOL1
O


ATOM
23
N
LEU
A
4
59.929
−66.027
−42.718
1.00
77.54
MOL1
N


ATOM
24
CA
LEU
A
4
58.748
−65.707
−43.498
1.00
76.02
MOL1
C


ATOM
25
CB
LEU
A
4
57.995
−64.531
−42.867
1.00
77.03
MOL1
C


ATOM
26
CG
LEU
A
4
57.134
−64.833
−41.631
1.00
77.01
MOL1
C


ATOM
27
CD1
LEU
A
4
58.004
−65.184
−40.445
1.00
72.40
MOL1
C


ATOM
28
CD2
LEU
A
4
56.279
−63.620
−41.307
1.00
75.95
MOL1
C


ATOM
29
C
LEU
A
4
59.123
−65.402
−44.944
1.00
76.62
MOL1
C


ATOM
30
O
LEU
A
4
60.057
−64.649
−45.220
1.00
78.44
MOL1
O


ATOM
31
N
THR
A
5
58.379
−65.986
−45.872
1.00
76.08
MOL1
N


ATOM
32
CA
THR
A
5
58.668
−65.805
−47.281
1.00
77.89
MOL1
C


ATOM
33
CB
THR
A
5
59.111
−67.158
−47.884
1.00
86.00
MOL1
C


ATOM
34
OG1
THR
A
5
60.135
−67.731
−47.054
1.00
85.74
MOL1
O


ATOM
35
CG2
THR
A
5
59.642
−66.978
−49.307
1.00
86.71
MOL1
C


ATOM
36
C
THR
A
5
57.485
−65.246
−48.068
1.00
74.23
MOL1
C


ATOM
37
O
THR
A
5
56.634
−65.998
−48.559
1.00
76.11
MOL1
O


ATOM
38
N
GLN
A
6
57.434
−63.926
−48.191
1.00
67.23
MOL1
N


ATOM
39
CA
GLN
A
6
56.353
−63.292
−48.928
1.00
66.03
MOL1
C


ATOM
40
CB
GLN
A
6
56.383
−61.786
−48.732
1.00
60.93
MOL1
C


ATOM
41
CG
GLN
A
6
56.267
−61.364
−47.295
1.00
59.07
MOL1
C


ATOM
42
CD
GLN
A
6
55.893
−59.916
−47.174
1.00
60.94
MOL1
C


ATOM
43
OE1
GLN
A
6
55.813
−59.381
−46.076
1.00
66.71
MOL1
O


ATOM
44
NE2
GLN
A
6
55.651
−59.269
−48.309
1.00
54.84
MOL1
N


ATOM
45
C
GLN
A
6
56.500
−63.599
−50.398
1.00
67.13
MOL1
C


ATOM
46
O
GLN
A
6
57.566
−64.008
−50.840
1.00
69.36
MOL1
O


ATOM
47
N
SER
A
7
55.430
−63.396
−51.156
1.00
69.44
MOL1
N


ATOM
48
CA
SER
A
7
55.450
−63.654
−52.591
1.00
72.19
MOL1
C


ATOM
49
CB
SER
A
7
55.687
−65.142
−52.863
1.00
75.98
MOL1
C


ATOM
50
OG
SER
A
7
54.856
−65.954
−52.047
1.00
81.94
MOL1
O


ATOM
51
C
SER
A
7
54.147
−63.217
−53.228
1.00
72.06
MOL1
C


ATOM
52
O
SER
A
7
53.071
−63.493
−52.707
1.00
78.33
MOL1
O


ATOM
53
N
PRO
A
8
54.227
−62.516
−54.361
1.00
69.31
MOL1
N


ATOM
54
CD
PRO
A
8
53.099
−62.002
−55.147
1.00
73.31
MOL1
C


ATOM
55
CA
PRO
A
8
55.483
−62.155
−55.002
1.00
70.91
MOL1
C


ATOM
56
CB
PRO
A
8
55.025
−61.554
−56.323
1.00
72.80
MOL1
C


ATOM
57
CG
PRO
A
8
53.757
−60.910
−55.950
1.00
72.88
MOL1
C


ATOM
58
C
PRO
A
8
56.259
−61.164
−54.164
1.00
69.23
MOL1
C


ATOM
59
O
PRO
A
8
55.781
−60.717
−53.132
1.00
70.34
MOL1
O


ATOM
60
N
SER
A
9
57.467
−60.838
−54.601
1.00
69.17
MOL1
N


ATOM
61
CA
SER
A
9
58.273
−59.881
−53.879
1.00
66.93
MOL1
C


ATOM
62
CB
SER
A
9
59.749
−60.210
−54.018
1.00
73.37
MOL1
C


ATOM
63
OG
SER
A
9
60.038
−61.381
−53.269
1.00
83.72
MOL1
O


ATOM
64
C
SER
A
9
57.951
−58.524
−54.453
1.00
63.36
MOL1
C


ATOM
65
O
SER
A
9
58.048
−57.512
−53.777
1.00
67.00
MOL1
O


ATOM
66
N
SER
A
10
57.544
−58.512
−55.708
1.00
57.29
MOL1
N


ATOM
67
CA
SER
A
10
57.151
−57.276
−56.358
1.00
55.01
MOL1
C


ATOM
68
CB
SER
A
10
58.253
−56.771
−57.294
1.00
57.78
MOL1
C


ATOM
69
OG
SER
A
10
57.805
−55.674
−58.082
1.00
62.00
MOL1
O


ATOM
70
C
SER
A
10
55.911
−57.621
−57.159
1.00
55.31
MOL1
C


ATOM
71
O
SER
A
10
55.526
−58.787
−57.245
1.00
56.46
MOL1
O


ATOM
72
N
LEU
A
11
55.281
−56.613
−57.742
1.00
53.75
MOL1
N


ATOM
73
CA
LEU
A
11
54.098
−56.851
−58.548
1.00
50.55
MOL1
C


ATOM
74
CB
LEU
A
11
53.090
−57.669
−57.754
1.00
43.48
MOL1
C


ATOM
75
CG
LEU
A
11
51.993
−56.877
−57.070
1.00
44.84
MOL1
C


ATOM
76
CD1
LEU
A
11
50.917
−56.523
−58.096
1.00
49.00
MOL1
C


ATOM
77
CD2
LEU
A
11
51.412
−57.704
−55.952
1.00
42.51
MOL1
C


ATOM
78
C
LEU
A
11
53.478
−55.536
−59.002
1.00
50.49
MOL1
C


ATOM
79
O
LEU
A
11
53.350
−54.595
−58.225
1.00
44.62
MOL1
O


ATOM
80
N
SER
A
12
53.111
−55.471
−60.275
1.00
56.63
MOL1
N


ATOM
81
CA
SER
A
12
52.491
−54.273
−60.825
1.00
62.24
MOL1
C


ATOM
82
CB
SER
A
12
53.076
−53.922
−62.199
1.00
63.67
MOL1
C


ATOM
83
OG
SER
A
12
54.373
−53.355
−62.082
1.00
74.97
MOL1
O


ATOM
84
C
SER
A
12
51.001
−54.519
−60.960
1.00
62.36
MOL1
C


ATOM
85
O
SER
A
12
50.573
−55.593
−61.383
1.00
66.42
MOL1
O


ATOM
86
N
ALA
A
13
50.216
−53.517
−60.593
1.00
60.34
MOL1
N


ATOM
87
CA
ALA
A
13
48.768
−53.613
−60.654
1.00
56.37
MOL1
C


ATOM
88
CB
ALA
A
13
48.232
−54.119
−59.330
1.00
52.68
MOL1
C


ATOM
89
C
ALA
A
13
48.196
−52.241
−60.964
1.00
57.76
MOL1
C


ATOM
90
O
ALA
A
13
48.927
−51.236
−60.931
1.00
56.32
MOL1
O


ATOM
91
N
SER
A
14
46.895
−52.204
−61.263
1.00
56.07
MOL1
N


ATOM
92
CA
SER
A
14
46.202
−50.957
−61.594
1.00
58.55
MOL1
C


ATOM
93
CB
SER
A
14
45.601
−51.052
−62.987
1.00
58.96
MOL1
C


ATOM
94
OG
SER
A
14
46.285
−52.023
−63.759
1.00
71.46
MOL1
O


ATOM
95
C
SER
A
14
45.089
−50.686
−60.596
1.00
55.27
MOL1
C


ATOM
96
O
SER
A
14
44.547
−51.621
−60.008
1.00
53.63
MOL1
O


ATOM
97
N
VAL
A
15
44.748
−49.411
−60.407
1.00
52.20
MOL1
N


ATOM
98
CA
VAL
A
15
43.687
−49.047
−59.472
1.00
45.77
MOL1
C


ATOM
99
CB
VAL
A
15
43.201
−47.592
−59.665
1.00
37.82
MOL1
C


ATOM
100
CG1
VAL
A
15
42.027
−47.348
−58.802
1.00
32.20
MOL1
C


ATOM
101
CG2
VAL
A
15
44.273
−46.607
−59.305
1.00
34.78
MOL1
C


ATOM
102
C
VAL
A
15
42.489
−49.966
−59.685
1.00
48.79
MOL1
C


ATOM
103
O
VAL
A
15
42.048
−50.197
−60.819
1.00
49.28
MOL1
O


ATOM
104
N
GLY
A
16
41.973
−50.504
−58.592
1.00
45.79
MOL1
N


ATOM
105
CA
GLY
A
16
40.830
−51.373
−58.703
1.00
52.21
MOL1
C


ATOM
106
C
GLY
A
16
41.181
−52.836
−58.601
1.00
56.48
MOL1
C


ATOM
107
O
GLY
A
16
40.444
−53.606
−57.979
1.00
63.88
MOL1
O


ATOM
108
N
ASP
A
17
42.290
−53.233
−59.215
1.00
55.01
MOL1
N


ATOM
109
CA
ASP
A
17
42.716
−54.635
−59.164
1.00
58.91
MOL1
C


ATOM
110
CB
ASP
A
17
44.180
−54.760
−59.601
1.00
65.37
MOL1
C


ATOM
111
CG
ASP
A
17
44.367
−54.622
−61.100
1.00
70.44
MOL1
C


ATOM
112
OD1
ASP
A
17
45.147
−53.733
−61.531
1.00
59.18
MOL1
O


ATOM
113
OD2
ASP
A
17
43.742
−55.421
−61.836
1.00
74.78
MOL1
O


ATOM
114
C
ASP
A
17
42.575
−55.254
−57.761
1.00
54.18
MOL1
C


ATOM
115
O
ASP
A
17
42.559
−54.547
−56.761
1.00
55.66
MOL1
O


ATOM
116
N
ARG
A
18
42.462
−56.571
−57.693
1.00
48.09
MOL1
N


ATOM
117
CA
ARG
A
18
42.366
−57.231
−56.411
1.00
55.61
MOL1
C


ATOM
118
CB
ARG
A
18
41.284
−58.316
−56.404
1.00
69.85
MOL1
C


ATOM
119
CG
ARG
A
18
41.140
−59.019
−55.033
1.00
84.25
MOL1
C


ATOM
120
CD
ARG
A
18
40.007
−60.048
−54.994
1.00
96.26
MOL1
C


ATOM
121
NE
ARG
A
18
40.377
−61.322
−55.613
1.00
111.22
MOL1
N


ATOM
122
CZ
ARG
A
18
40.792
−62.397
−54.941
1.00
117.53
MOL1
C


ATOM
123
NH1
ARG
A
18
40.889
−62.360
−53.615
1.00
117.33
MOL1
N


ATOM
124
NH2
ARG
A
18
41.110
−63.514
−55.596
1.00
116.29
MOL1
N


ATOM
125
C
ARG
A
18
43.710
−57.871
−56.135
1.00
58.76
MOL1
C


ATOM
126
O
ARG
A
18
43.918
−59.053
−56.418
1.00
65.72
MOL1
O


ATOM
127
N
VAL
A
19
44.628
−57.086
−55.588
1.00
56.07
MOL1
N


ATOM
128
CA
VAL
A
19
45.966
−57.576
−55.268
1.00
53.63
MOL1
C


ATOM
129
CB
VAL
A
19
46.908
−56.394
−54.920
1.00
55.93
MOL1
C


ATOM
130
CG1
VAL
A
19
48.281
−56.927
−54.521
1.00
55.97
MOL1
C


ATOM
131
CG2
VAL
A
19
47.004
−55.420
−56.108
1.00
42.74
MOL1
C


ATOM
132
C
VAL
A
19
45.964
−58.593
−54.112
1.00
51.70
MOL1
C


ATOM
133
O
VAL
A
19
45.146
−58.511
−53.190
1.00
49.50
MOL1
O


ATOM
134
N
THR
A
20
46.885
−59.549
−54.172
1.00
49.46
MOL1
N


ATOM
135
CA
THR
A
20
46.983
−60.583
−53.149
1.00
54.36
MOL1
C


ATOM
136
CB
THR
A
20
46.232
−61.841
−53.579
1.00
58.85
MOL1
C


ATOM
137
OG1
THR
A
20
44.838
−61.542
−53.667
1.00
70.14
MOL1
O


ATOM
138
CG2
THR
A
20
46.450
−62.967
−52.576
1.00
59.96
MOL1
C


ATOM
139
C
THR
A
20
48.427
−60.973
−52.863
1.00
53.08
MOL1
C


ATOM
140
O
THR
A
20
49.137
−61.449
−53.736
1.00
55.72
MOL1
O


ATOM
141
N
ILE
A
21
48.849
−60.783
−51.626
1.00
49.50
MOL1
N


ATOM
142
CA
ILE
A
21
50.201
−61.088
−51.217
1.00
41.41
MOL1
C


ATOM
143
CB
ILE
A
21
50.802
−59.884
−50.503
1.00
38.15
MOL1
C


ATOM
144
CG2
ILE
A
21
52.083
−60.247
−49.827
1.00
34.27
MOL1
C


ATOM
145
CG1
ILE
A
21
51.001
−58.760
−51.510
1.00
38.51
MOL1
C


ATOM
146
CD1
ILE
A
21
51.246
−57.416
−50.864
1.00
49.11
MOL1
C


ATOM
147
C
ILE
A
21
50.140
−62.268
−50.285
1.00
44.55
MOL1
C


ATOM
148
O
ILE
A
21
49.183
−62.428
−49.550
1.00
52.97
MOL1
O


ATOM
149
N
THR
A
22
51.169
−63.095
−50.310
1.00
48.57
MOL1
N


ATOM
150
CA
THR
A
22
51.210
−64.278
−49.467
1.00
52.07
MOL1
C


ATOM
151
CB
THR
A
22
51.296
−65.552
−50.308
1.00
55.40
MOL1
C


ATOM
152
OG1
THR
A
22
50.290
−65.514
−51.325
1.00
62.21
MOL1
O


ATOM
153
CG2
THR
A
22
51.090
−66.788
−49.435
1.00
58.38
MOL1
C


ATOM
154
C
THR
A
22
52.435
−64.240
−48.597
1.00
51.61
MOL1
C


ATOM
155
O
THR
A
22
53.390
−63.554
−48.912
1.00
50.06
MOL1
O


ATOM
156
N
CYS
A
23
52.420
−65.001
−47.512
1.00
56.21
MOL1
N


ATOM
157
CA
CYS
A
23
53.560
−65.048
−46.609
1.00
62.68
MOL1
C


ATOM
158
C
CYS
A
23
53.660
−66.404
−45.926
1.00
68.74
MOL1
C


ATOM
159
O
CYS
A
23
53.256
−66.566
−44.778
1.00
68.17
MOL1
O


ATOM
160
CB
CYS
A
23
53.441
−63.935
−45.571
1.00
65.09
MOL1
C


ATOM
161
SG
CYS
A
23
54.612
−63.909
−44.165
1.00
70.81
MOL1
S


ATOM
162
N
ARG
A
24
54.201
−67.377
−46.652
1.00
77.18
MOL1
N


ATOM
163
CA
ARG
A
24
54.379
−68.736
−46.147
1.00
84.44
MOL1
C


ATOM
164
CB
ARG
A
24
54.742
−69.656
−47.332
1.00
95.87
MOL1
C


ATOM
165
CG
ARG
A
24
54.432
−71.160
−47.168
1.00
108.89
MOL1
C


ATOM
166
CD
ARG
A
24
55.506
−71.938
−46.383
1.00
119.33
MOL1
C


ATOM
167
NE
ARG
A
24
55.120
−73.333
−46.140
1.00
124.33
MOL1
N


ATOM
168
CZ
ARG
A
24
55.845
−74.215
−45.452
1.00
127.65
MOL1
C


ATOM
169
NH1
ARG
A
24
57.012
−73.863
−44.927
1.00
129.22
MOL1
N


ATOM
170
NH2
ARG
A
24
55.397
−75.454
−45.277
1.00
127.95
MOL1
N


ATOM
171
C
ARG
A
24
55.511
−68.687
−45.111
1.00
84.04
MOL1
C


ATOM
172
O
ARG
A
24
56.466
−67.926
−45.271
1.00
84.20
MOL1
O


ATOM
173
N
ALA
A
25
55.416
−69.484
−44.051
1.00
83.87
MOL1
N


ATOM
174
CA
ALA
A
25
56.461
−69.462
−43.031
1.00
88.97
MOL1
C


ATOM
175
CB
ALA
A
25
55.987
−68.685
−41.807
1.00
83.58
MOL1
C


ATOM
176
C
ALA
A
25
57.012
−70.808
−42.583
1.00
93.69
MOL1
C


ATOM
177
O
ALA
A
25
56.280
−71.784
−42.408
1.00
93.21
MOL1
O


ATOM
178
N
ASP
A
26
58.327
−70.813
−42.395
1.00
98.19
MOL1
N


ATOM
179
CA
ASP
A
26
59.114
−71.947
−41.937
1.00
101.85
MOL1
C


ATOM
180
CB
ASP
A
26
60.324
−71.372
−41.202
1.00
110.27
MOL1
C


ATOM
181
CG
ASP
A
26
61.348
−72.408
−40.854
1.00
121.51
MOL1
C


ATOM
182
OD1
ASP
A
26
62.404
−72.014
−40.315
1.00
124.97
MOL1
O


ATOM
183
OD2
ASP
A
26
61.102
−73.607
−41.114
1.00
133.17
MOL1
O


ATOM
184
C
ASP
A
26
58.330
−72.912
−41.031
1.00
101.21
MOL1
C


ATOM
185
O
ASP
A
26
57.944
−74.006
−41.455
1.00
100.34
MOL1
O


ATOM
186
N
GLU
A
27
58.111
−72.498
−39.786
1.00
100.36
MOL1
N


ATOM
187
CA
GLU
A
27
57.378
−73.295
−38.808
1.00
105.27
MOL1
C


ATOM
188
CB
GLU
A
27
58.046
−73.174
−37.434
1.00
114.82
MOL1
C


ATOM
189
CG
GLU
A
27
59.493
−73.679
−37.373
1.00
130.16
MOL1
C


ATOM
190
CD
GLU
A
27
59.608
−75.187
−37.133
1.00
139.75
MOL1
C


ATOM
191
OE1
GLU
A
27
59.170
−75.660
−36.058
1.00
142.50
MOL1
O


ATOM
192
OE2
GLU
A
27
60.144
−75.898
−38.017
1.00
142.27
MOL1
O


ATOM
193
C
GLU
A
27
55.920
−72.825
−38.719
1.00
103.78
MOL1
C


ATOM
194
O
GLU
A
27
55.398
−72.228
−39.663
1.00
105.79
MOL1
O


ATOM
195
N
SER
A
28
55.270
−73.097
−37.587
1.00
98.98
MOL1
N


ATOM
196
CA
SER
A
28
53.876
−72.706
−37.377
1.00
93.29
MOL1
C


ATOM
197
CB
SER
A
28
53.077
−73.882
−36.796
1.00
94.85
MOL1
C


ATOM
198
OG
SER
A
28
51.722
−73.537
−36.538
1.00
86.40
MOL1
O


ATOM
199
C
SER
A
28
53.804
−71.523
−36.426
1.00
89.30
MOL1
C


ATOM
200
O
SER
A
28
54.496
−71.499
−35.418
1.00
88.29
MOL1
O


ATOM
201
N
VAL
A
29
52.960
−70.548
−36.742
1.00
85.47
MOL1
N


ATOM
202
CA
VAL
A
29
52.824
−69.375
−35.895
1.00
80.22
MOL1
C


ATOM
203
CB
VAL
A
29
53.247
−68.131
−36.651
1.00
79.07
MOL1
C


ATOM
204
CG1
VAL
A
29
54.746
−67.943
−36.514
1.00
74.72
MOL1
C


ATOM
205
CG2
VAL
A
29
52.870
−68.278
−38.111
1.00
74.69
MOL1
C


ATOM
206
C
VAL
A
29
51.433
−69.174
−35.317
1.00
79.76
MOL1
C


ATOM
207
O
VAL
A
29
51.265
−68.406
−34.377
1.00
81.49
MOL1
O


ATOM
208
N
THR
A
30
50.441
−69.854
−35.886
1.00
78.92
MOL1
N


ATOM
209
CA
THR
A
30
49.066
−69.788
−35.395
1.00
76.47
MOL1
C


ATOM
210
CB
THR
A
30
48.880
−70.697
−34.149
1.00
81.34
MOL1
C


ATOM
211
OG1
THR
A
30
49.772
−70.277
−33.101
1.00
70.40
MOL1
O


ATOM
212
CG2
THR
A
30
49.159
−72.154
−34.501
1.00
88.52
MOL1
C


ATOM
213
C
THR
A
30
48.560
−68.414
−34.995
1.00
72.85
MOL1
C


ATOM
214
O
THR
A
30
48.860
−67.931
−33.910
1.00
77.37
MOL1
O


ATOM
215
N
THR
A
31
47.780
−67.792
−35.859
1.00
65.58
MOL1
N


ATOM
216
CA
THR
A
31
47.204
−66.490
−35.554
1.00
65.07
MOL1
C


ATOM
217
CB
THR
A
31
46.132
−66.605
−34.447
1.00
62.31
MOL1
C


ATOM
218
OG1
THR
A
31
46.758
−66.543
−33.161
1.00
62.48
MOL1
O


ATOM
219
CG2
THR
A
31
45.375
−67.912
−34.576
1.00
59.69
MOL1
C


ATOM
220
C
THR
A
31
48.144
−65.340
−35.168
1.00
63.64
MOL1
C


ATOM
221
O
THR
A
31
47.730
−64.175
−35.226
1.00
69.01
MOL1
O


ATOM
222
N
LEU
A
32
49.386
−65.628
−34.773
1.00
53.42
MOL1
N


ATOM
223
CA
LEU
A
32
50.282
−64.535
−34.409
1.00
46.42
MOL1
C


ATOM
224
CB
LEU
A
32
51.263
−64.942
−33.314
1.00
39.87
MOL1
C


ATOM
225
CG
LEU
A
32
50.570
−65.258
−31.986
1.00
46.68
MOL1
C


ATOM
226
CD1
LEU
A
32
51.221
−64.518
−30.820
1.00
43.33
MOL1
C


ATOM
227
CD2
LEU
A
32
49.117
−64.863
−32.109
1.00
44.87
MOL1
C


ATOM
228
C
LEU
A
32
51.040
−63.975
−35.598
1.00
46.61
MOL1
C


ATOM
229
O
LEU
A
32
52.238
−63.738
−35.533
1.00
52.07
MOL1
O


ATOM
230
N
MET
A
33
50.322
−63.762
−36.690
1.00
43.06
MOL1
N


ATOM
231
CA
MET
A
33
50.889
−63.191
−37.889
1.00
41.75
MOL1
C


ATOM
232
CB
MET
A
33
50.483
−64.018
−39.096
1.00
41.68
MOL1
C


ATOM
233
CG
MET
A
33
51.029
−63.483
−40.389
1.00
51.79
MOL1
C


ATOM
234
SD
MET
A
33
52.828
−63.453
−40.386
1.00
67.13
MOL1
S


ATOM
235
CE
MET
A
33
53.193
−64.771
−41.526
1.00
56.01
MOL1
C


ATOM
236
C
MET
A
33
50.293
−61.789
−37.983
1.00
43.97
MOL1
C


ATOM
237
O
MET
A
33
49.131
−61.584
−37.651
1.00
45.70
MOL1
O


ATOM
238
N
HIS
A
34
51.082
−60.819
−38.426
1.00
43.67
MOL1
N


ATOM
239
CA
HIS
A
34
50.606
−59.449
−38.530
1.00
39.94
MOL1
C


ATOM
240
CB
HIS
A
34
51.145
−58.649
−37.367
1.00
35.91
MOL1
C


ATOM
241
CG
HIS
A
34
51.087
−59.377
−36.065
1.00
40.27
MOL1
C


ATOM
242
CD2
HIS
A
34
52.053
−59.680
−35.168
1.00
41.79
MOL1
C


ATOM
243
ND1
HIS
A
34
49.913
−59.870
−35.542
1.00
44.64
MOL1
N


ATOM
244
CE1
HIS
A
34
50.158
−60.439
−34.376
1.00
42.55
MOL1
C


ATOM
245
NE2
HIS
A
34
51.449
−60.337
−34.126
1.00
40.07
MOL1
N


ATOM
246
C
HIS
A
34
51.081
−58.825
−39.825
1.00
45.33
MOL1
C


ATOM
247
O
HIS
A
34
51.997
−59.330
−40.447
1.00
56.68
MOL1
O


ATOM
248
N
TRP
A
35
50.468
−57.728
−40.243
1.00
46.73
MOL1
N


ATOM
249
CA
TRP
A
35
50.897
−57.072
−41.468
1.00
41.10
MOL1
C


ATOM
250
CB
TRP
A
35
49.885
−57.289
−42.575
1.00
44.24
MOL1
C


ATOM
251
CG
TRP
A
35
49.856
−58.687
−43.087
1.00
47.88
MOL1
C


ATOM
252
CD2
TRP
A
35
50.552
−59.193
−44.232
1.00
49.52
MOL1
C


ATOM
253
CE2
TRP
A
35
50.216
−60.552
−44.354
1.00
49.33
MOL1
C


ATOM
254
CE3
TRP
A
35
51.430
−58.628
−45.162
1.00
49.53
MOL1
C


ATOM
255
CD1
TRP
A
35
49.156
−59.729
−42.574
1.00
44.24
MOL1
C


ATOM
256
NE1
TRP
A
35
49.360
−60.855
−43.329
1.00
47.22
MOL1
N


ATOM
257
CZ2
TRP
A
35
50.723
−61.358
−45.370
1.00
50.90
MOL1
C


ATOM
258
CZ3
TRP
A
35
51.935
−59.428
−46.168
1.00
52.17
MOL1
C


ATOM
259
CH2
TRP
A
35
51.580
−60.781
−46.265
1.00
52.09
MOL1
C


ATOM
260
C
TRP
A
35
51.106
−55.592
−41.280
1.00
39.10
MOL1
C


ATOM
261
O
TRP
A
35
50.346
−54.931
−40.592
1.00
44.85
MOL1
O


ATOM
262
N
TYR
A
36
52.154
−55.076
−41.896
1.00
37.01
MOL1
N


ATOM
263
CA
TYR
A
36
52.477
−53.659
−41.818
1.00
34.30
MOL1
C


ATOM
264
CB
TYR
A
36
53.802
−53.452
−41.096
1.00
26.67
MOL1
C


ATOM
265
CG
TYR
A
36
53.852
−53.935
−39.675
1.00
29.74
MOL1
C


ATOM
266
CD1
TYR
A
36
53.482
−53.108
−38.630
1.00
32.47
MOL1
C


ATOM
267
CE1
TYR
A
36
53.565
−53.530
−37.315
1.00
33.73
MOL1
C


ATOM
268
CD2
TYR
A
36
54.304
−55.210
−39.372
1.00
32.94
MOL1
C


ATOM
269
CE2
TYR
A
36
54.390
−55.651
−38.063
1.00
32.23
MOL1
C


ATOM
270
CZ
TYR
A
36
54.020
−54.805
−37.034
1.00
39.55
MOL1
C


ATOM
271
OH
TYR
A
36
54.109
−55.225
−35.718
1.00
39.71
MOL1
O


ATOM
272
C
TYR
A
36
52.635
−53.128
−43.234
1.00
34.60
MOL1
C


ATOM
273
O
TYR
A
36
52.911
−53.882
−44.161
1.00
39.81
MOL1
O


ATOM
274
N
GLN
A
37
52.464
−51.829
−43.409
1.00
31.56
MOL1
N


ATOM
275
CA
GLN
A
37
52.653
−51.253
−44.722
1.00
30.34
MOL1
C


ATOM
276
CB
GLN
A
37
51.352
−50.726
−45.293
1.00
23.81
MOL1
C


ATOM
277
CG
GLN
A
37
51.246
−49.247
−45.228
1.00
22.13
MOL1
C


ATOM
278
CD
GLN
A
37
50.323
−48.707
−46.279
1.00
32.73
MOL1
C


ATOM
279
OE1
GLN
A
37
49.891
−47.556
−46.199
1.00
46.81
MOL1
O


ATOM
280
NE2
GLN
A
37
50.016
−49.527
−47.287
1.00
24.92
MOL1
N


ATOM
281
C
GLN
A
37
53.647
−50.126
−44.581
1.00
34.22
MOL1
C


ATOM
282
O
GLN
A
37
53.724
−49.490
−43.538
1.00
41.80
MOL1
O


ATOM
283
N
GLN
A
38
54.440
−49.882
−45.611
1.00
36.15
MOL1
N


ATOM
284
CA
GLN
A
38
55.405
−48.801
−45.516
1.00
35.62
MOL1
C


ATOM
285
CB
GLN
A
38
56.743
−49.324
−45.023
1.00
32.87
MOL1
C


ATOM
286
CG
GLN
A
38
57.828
−48.289
−45.090
1.00
38.05
MOL1
C


ATOM
287
CD
GLN
A
38
59.145
−48.758
−44.498
1.00
42.59
MOL1
C


ATOM
288
OE1
GLN
A
38
59.598
−49.876
−44.760
1.00
42.39
MOL1
O


ATOM
289
NE2
GLN
A
38
59.779
−47.892
−43.708
1.00
36.19
MOL1
N


ATOM
290
C
GLN
A
38
55.588
−48.109
−46.839
1.00
36.42
MOL1
C


ATOM
291
O
GLN
A
38
55.911
−48.752
−47.830
1.00
39.70
MOL1
O


ATOM
292
N
LYS
A
39
55.353
−46.800
−46.857
1.00
37.89
MOL1
N


ATOM
293
CA
LYS
A
39
55.509
−46.014
−48.078
1.00
41.72
MOL1
C


ATOM
294
CB
LYS
A
39
54.682
−44.722
−48.051
1.00
37.51
MOL1
C


ATOM
295
CG
LYS
A
39
53.216
−44.884
−47.725
1.00
44.18
MOL1
C


ATOM
296
CD
LYS
A
39
52.470
−45.653
−48.785
1.00
42.55
MOL1
C


ATOM
297
CE
LYS
A
39
50.969
−45.457
−48.626
1.00
42.83
MOL1
C


ATOM
298
NZ
LYS
A
39
50.575
−44.017
−48.679
1.00
43.58
MOL1
N


ATOM
299
C
LYS
A
39
56.967
−45.625
−48.097
1.00
45.26
MOL1
C


ATOM
300
O
LYS
A
39
57.645
−45.729
−47.087
1.00
42.51
MOL1
O


ATOM
301
N
PRO
A
40
57.463
−45.152
−49.243
1.00
50.43
MOL1
N


ATOM
302
CD
PRO
A
40
56.783
−45.080
−50.543
1.00
57.17
MOL1
C


ATOM
303
CA
PRO
A
40
58.864
−44.749
−49.360
1.00
50.55
MOL1
C


ATOM
304
CB
PRO
A
40
59.011
−44.416
−50.834
1.00
50.04
MOL1
C


ATOM
305
CG
PRO
A
40
57.937
−45.247
−51.486
1.00
65.03
MOL1
C


ATOM
306
C
PRO
A
40
59.141
−43.535
−48.501
1.00
55.95
MOL1
C


ATOM
307
O
PRO
A
40
58.425
−42.534
−48.591
1.00
57.59
MOL1
O


ATOM
308
N
GLY
A
41
60.171
−43.627
−47.665
1.00
59.86
MOL1
N


ATOM
309
CA
GLY
A
41
60.536
−42.501
−46.823
1.00
63.21
MOL1
C


ATOM
310
C
GLY
A
41
59.937
−42.484
−45.434
1.00
67.58
MOL1
C


ATOM
311
O
GLY
A
41
60.609
−42.093
−44.479
1.00
70.86
MOL1
O


ATOM
312
N
LYS
A
42
58.678
−42.894
−45.308
1.00
66.25
MOL1
N


ATOM
313
CA
LYS
A
42
58.036
−42.913
−44.005
1.00
62.93
MOL1
C


ATOM
314
CB
LYS
A
42
56.532
−42.646
−44.175
1.00
74.75
MOL1
C


ATOM
315
CG
LYS
A
42
55.962
−41.619
−43.159
1.00
91.14
MOL1
C


ATOM
316
CD
LYS
A
42
55.795
−42.209
−41.726
1.00
87.95
MOL1
C


ATOM
317
CE
LYS
A
42
56.220
−41.239
−40.612
1.00
79.63
MOL1
C


ATOM
318
NZ
LYS
A
42
57.692
−41.271
−40.342
1.00
67.73
MOL1
N


ATOM
319
C
LYS
A
42
58.321
−44.251
−43.273
1.00
54.36
MOL1
C


ATOM
320
O
LYS
A
42
58.987
−45.129
−43.827
1.00
53.81
MOL1
O


ATOM
321
N
ALA
A
43
57.853
−44.398
−42.032
1.00
41.27
MOL1
N


ATOM
322
CA
ALA
A
43
58.090
−45.624
−41.269
1.00
37.44
MOL1
C


ATOM
323
CB
ALA
A
43
58.311
−45.298
−39.829
1.00
31.23
MOL1
C


ATOM
324
C
ALA
A
43
56.951
−46.613
−41.384
1.00
39.99
MOL1
C


ATOM
325
O
ALA
A
43
55.837
−46.236
−41.720
1.00
48.24
MOL1
O


ATOM
326
N
PRO
A
44
57.207
−47.892
−41.064
1.00
40.76
MOL1
N


ATOM
327
CD
PRO
A
44
58.327
−48.380
−40.244
1.00
43.70
MOL1
C


ATOM
328
CA
PRO
A
44
56.163
−48.916
−41.154
1.00
39.42
MOL1
C


ATOM
329
CB
PRO
A
44
56.766
−50.111
−40.410
1.00
41.43
MOL1
C


ATOM
330
CG
PRO
A
44
58.225
−49.868
−40.429
1.00
40.94
MOL1
C


ATOM
331
C
PRO
A
44
54.900
−48.418
−40.470
1.00
39.92
MOL1
C


ATOM
332
O
PRO
A
44
54.952
−47.488
−39.662
1.00
42.44
MOL1
O


ATOM
333
N
LYS
A
45
53.773
−49.041
−40.792
1.00
33.97
MOL1
N


ATOM
334
CA
LYS
A
45
52.500
−48.663
−40.211
1.00
29.31
MOL1
C


ATOM
335
CB
LYS
A
45
51.802
−47.628
−41.110
1.00
23.93
MOL1
C


ATOM
336
CG
LYS
A
45
50.614
−46.938
−40.477
1.00
49.73
MOL1
C


ATOM
337
CD
LYS
A
45
49.426
−47.914
−40.236
1.00
65.12
MOL1
C


ATOM
338
CE
LYS
A
45
48.637
−47.640
−38.911
1.00
69.62
MOL1
C


ATOM
339
NZ
LYS
A
45
49.396
−47.958
−37.634
1.00
66.75
MOL1
N


ATOM
340
C
LYS
A
45
51.706
−49.954
−40.101
1.00
25.70
MOL1
C


ATOM
341
O
LYS
A
45
51.601
−50.709
−41.051
1.00
28.05
MOL1
O


ATOM
342
N
LEU
A
46
51.168
−50.228
−38.925
1.00
27.60
MOL1
N


ATOM
343
CA
LEU
A
46
50.410
−51.452
−38.738
1.00
28.62
MOL1
C


ATOM
344
CB
LEU
A
46
50.121
−51.647
−37.252
1.00
22.22
MOL1
C


ATOM
345
CG
LEU
A
46
49.308
−52.852
−36.800
1.00
29.50
MOL1
C


ATOM
346
CD1
LEU
A
46
49.954
−54.157
−37.235
1.00
34.12
MOL1
C


ATOM
347
CD2
LEU
A
46
49.202
−52.805
−35.296
1.00
32.37
MOL1
C


ATOM
348
C
LEU
A
46
49.115
−51.466
−39.540
1.00
31.21
MOL1
C


ATOM
349
O
LEU
A
46
48.347
−50.516
−39.528
1.00
35.06
MOL1
O


ATOM
350
N
LEU
A
47
48.887
−52.555
−40.256
1.00
36.36
MOL1
N


ATOM
351
CA
LEU
A
47
47.682
−52.715
−41.051
1.00
34.09
MOL1
C


ATOM
352
CB
LEU
A
47
48.012
−53.198
−42.458
1.00
32.28
MOL1
C


ATOM
353
CG
LEU
A
47
48.244
−52.143
−43.523
1.00
40.18
MOL1
C


ATOM
354
CD1
LEU
A
47
48.267
−52.787
−44.907
1.00
38.84
MOL1
C


ATOM
355
CD2
LEU
A
47
47.122
−51.145
−43.444
1.00
45.92
MOL1
C


ATOM
356
C
LEU
A
47
46.761
−53.738
−40.416
1.00
36.98
MOL1
C


ATOM
357
O
LEU
A
47
45.592
−53.471
−40.193
1.00
40.47
MOL1
O


ATOM
358
N
ILE
A
48
47.305
−54.909
−40.112
1.00
35.94
MOL1
N


ATOM
359
CA
ILE
A
48
46.518
−55.986
−39.555
1.00
33.25
MOL1
C


ATOM
360
CB
ILE
A
48
46.192
−56.963
−40.656
1.00
27.62
MOL1
C


ATOM
361
CG2
ILE
A
48
45.776
−58.294
−40.078
1.00
23.32
MOL1
C


ATOM
362
CG1
ILE
A
48
45.137
−56.356
−41.560
1.00
26.25
MOL1
C


ATOM
363
CD1
ILE
A
48
44.894
−57.199
−42.775
1.00
34.54
MOL1
C


ATOM
364
C
ILE
A
48
47.219
−56.757
−38.457
1.00
37.92
MOL1
C


ATOM
365
O
ILE
A
48
48.370
−57.124
−38.614
1.00
40.68
MOL1
O


ATOM
366
N
TYR
A
49
46.530
−57.002
−37.347
1.00
41.14
MOL1
N


ATOM
367
CA
TYR
A
49
47.119
−57.786
−36.277
1.00
46.26
MOL1
C


ATOM
368
CB
TYR
A
49
47.159
−57.021
−34.949
1.00
55.74
MOL1
C


ATOM
369
CG
TYR
A
49
45.822
−56.547
−34.437
1.00
62.14
MOL1
C


ATOM
370
CD1
TYR
A
49
45.335
−55.306
−34.794
1.00
65.27
MOL1
C


ATOM
371
CE1
TYR
A
49
44.117
−54.869
−34.353
1.00
67.22
MOL1
C


ATOM
372
CD2
TYR
A
49
45.039
−57.345
−33.610
1.00
58.99
MOL1
C


ATOM
373
CE2
TYR
A
49
43.810
−56.909
−33.163
1.00
58.66
MOL1
C


ATOM
374
CZ
TYR
A
49
43.358
−55.668
−33.544
1.00
63.21
MOL1
C


ATOM
375
OH
TYR
A
49
42.132
−55.195
−33.147
1.00
72.90
MOL1
O


ATOM
376
C
TYR
A
49
46.337
−59.085
−36.104
1.00
46.52
MOL1
C


ATOM
377
O
TYR
A
49
45.223
−59.228
−36.629
1.00
42.71
MOL1
O


ATOM
378
N
LEU
A
50
46.944
−60.025
−35.381
1.00
41.10
MOL1
N


ATOM
379
CA
LEU
A
50
46.345
−61.315
−35.135
1.00
34.80
MOL1
C


ATOM
380
CB
LEU
A
50
45.363
−61.201
−33.984
1.00
32.33
MOL1
C


ATOM
381
CG
LEU
A
50
45.893
−61.742
−32.653
1.00
38.66
MOL1
C


ATOM
382
CD1
LEU
A
50
47.319
−62.185
−32.829
1.00
34.22
MOL1
C


ATOM
383
CD2
LEU
A
50
45.771
−60.698
−31.568
1.00
34.17
MOL1
C


ATOM
384
C
LEU
A
50
45.652
−61.867
−36.369
1.00
38.68
MOL1
C


ATOM
385
O
LEU
A
50
44.459
−62.128
−36.353
1.00
44.22
MOL1
O


ATOM
386
N
VAL
A
51
46.417
−62.011
−37.444
1.00
40.23
MOL1
N


ATOM
387
CA
VAL
A
51
45.957
−62.564
−38.721
1.00
42.34
MOL1
C


ATOM
388
CB
VAL
A
51
45.367
−63.974
−38.582
1.00
42.81
MOL1
C


ATOM
389
CG1
VAL
A
51
45.083
−64.543
−39.970
1.00
39.52
MOL1
C


ATOM
390
CG2
VAL
A
51
46.312
−64.860
−37.852
1.00
38.74
MOL1
C


ATOM
391
C
VAL
A
51
44.954
−61.831
−39.560
1.00
44.05
MOL1
C


ATOM
392
O
VAL
A
51
45.151
−61.673
−40.768
1.00
44.76
MOL1
O


ATOM
393
N
SER
A
52
43.856
−61.408
−38.957
1.00
48.06
MOL1
N


ATOM
394
CA
SER
A
52
42.859
−60.755
−39.775
1.00
51.23
MOL1
C


ATOM
395
CB
SER
A
52
41.856
−61.804
−40.216
1.00
46.93
MOL1
C


ATOM
396
OG
SER
A
52
41.328
−61.413
−41.467
1.00
62.81
MOL1
O


ATOM
397
C
SER
A
52
42.136
−59.531
−39.227
1.00
44.79
MOL1
C


ATOM
398
O
SER
A
52
41.180
−59.048
−39.821
1.00
40.87
MOL1
O


ATOM
399
N
ASN
A
53
42.617
−59.000
−38.122
1.00
42.43
MOL1
N


ATOM
400
CA
ASN
A
53
41.974
−57.853
−37.551
1.00
47.09
MOL1
C


ATOM
401
CB
ASN
A
53
41.955
−58.062
−36.051
1.00
55.32
MOL1
C


ATOM
402
CG
ASN
A
53
41.391
−59.423
−35.688
1.00
60.02
MOL1
C


ATOM
403
OD1
ASN
A
53
42.115
−60.319
−35.263
1.00
69.59
MOL1
O


ATOM
404
ND2
ASN
A
53
40.093
−59.591
−35.888
1.00
61.16
MOL1
N


ATOM
405
C
ASN
A
53
42.667
−56.560
−37.968
1.00
46.67
MOL1
C


ATOM
406
O
ASN
A
53
43.883
−56.463
−37.909
1.00
50.32
MOL1
O


ATOM
407
N
ARG
A
54
41.895
−55.572
−38.410
1.00
43.04
MOL1
N


ATOM
408
CA
ARG
A
54
42.470
−54.295
−38.838
1.00
46.76
MOL1
C


ATOM
409
CB
ARG
A
54
41.615
−53.661
−39.918
1.00
51.66
MOL1
C


ATOM
410
CG
ARG
A
54
41.349
−54.549
−41.074
1.00
59.02
MOL1
C


ATOM
411
CD
ARG
A
54
40.225
−53.990
−41.865
1.00
56.96
MOL1
C


ATOM
412
NE
ARG
A
54
39.479
−55.082
−42.452
1.00
72.58
MOL1
N


ATOM
413
CZ
ARG
A
54
38.278
−54.943
−42.988
1.00
83.40
MOL1
C


ATOM
414
NH1
ARG
A
54
37.702
−53.741
−42.998
1.00
86.60
MOL1
N


ATOM
415
NH2
ARG
A
54
37.663
−56.002
−43.508
1.00
87.76
MOL1
N


ATOM
416
C
ARG
A
54
42.621
−53.247
−37.746
1.00
48.10
MOL1
C


ATOM
417
O
ARG
A
54
41.834
−53.178
−36.809
1.00
51.95
MOL1
O


ATOM
418
N
GLU
A
55
43.633
−52.404
−37.885
1.00
52.04
MOL1
N


ATOM
419
CA
GLU
A
55
43.851
−51.339
−36.921
1.00
54.69
MOL1
C


ATOM
420
CB
GLU
A
55
45.169
−50.607
−37.187
1.00
59.74
MOL1
C


ATOM
421
CG
GLU
A
55
46.197
−50.722
−36.093
1.00
66.74
MOL1
C


ATOM
422
CD
GLU
A
55
45.609
−50.484
−34.726
1.00
71.76
MOL1
C


ATOM
423
OE1
GLU
A
55
46.368
−50.556
−33.736
1.00
77.92
MOL1
O


ATOM
424
OE2
GLU
A
55
44.387
−50.234
−34.637
1.00
76.06
MOL1
O


ATOM
425
C
GLU
A
55
42.716
−50.374
−37.153
1.00
58.65
MOL1
C


ATOM
426
O
GLU
A
55
42.017
−50.472
−38.166
1.00
60.22
MOL1
O


ATOM
427
N
SER
A
56
42.550
−49.432
−36.232
1.00
62.90
MOL1
N


ATOM
428
CA
SER
A
56
41.495
−48.434
−36.329
1.00
68.93
MOL1
C


ATOM
429
CB
SER
A
56
41.733
−47.342
−35.283
1.00
73.11
MOL1
C


ATOM
430
OG
SER
A
56
40.885
−46.224
−35.507
1.00
88.98
MOL1
O


ATOM
431
C
SER
A
56
41.368
−47.794
−37.720
1.00
69.73
MOL1
C


ATOM
432
O
SER
A
56
40.371
−48.000
−38.435
1.00
72.32
MOL1
O


ATOM
433
N
GLY
A
57
42.379
−47.027
−38.107
1.00
62.78
MOL1
N


ATOM
434
CA
GLY
A
57
42.325
−46.353
−39.390
1.00
62.16
MOL1
C


ATOM
435
C
GLY
A
57
42.241
−47.222
−40.631
1.00
60.06
MOL1
C


ATOM
436
O
GLY
A
57
41.522
−46.887
−41.576
1.00
62.24
MOL1
O


ATOM
437
N
VAL
A
58
42.971
−48.333
−40.640
1.00
54.16
MOL1
N


ATOM
438
CA
VAL
A
58
42.992
−49.222
−41.793
1.00
46.09
MOL1
C


ATOM
439
CB
VAL
A
58
43.492
−50.641
−41.428
1.00
42.17
MOL1
C


ATOM
440
CG1
VAL
A
58
43.441
−51.531
−42.658
1.00
44.61
MOL1
C


ATOM
441
CG2
VAL
A
58
44.914
−50.589
−40.919
1.00
33.38
MOL1
C


ATOM
442
C
VAL
A
58
41.639
−49.362
−42.478
1.00
47.33
MOL1
C


ATOM
443
O
VAL
A
58
40.646
−49.733
−41.851
1.00
50.17
MOL1
O


ATOM
444
N
PRO
A
59
41.598
−49.063
−43.784
1.00
43.39
MOL1
N


ATOM
445
CD
PRO
A
59
42.726
−48.444
−44.489
1.00
50.20
MOL1
C


ATOM
446
CA
PRO
A
59
40.450
−49.114
−44.672
1.00
43.89
MOL1
C


ATOM
447
CB
PRO
A
59
41.041
−48.754
−46.013
1.00
38.01
MOL1
C


ATOM
448
CG
PRO
A
59
42.029
−47.769
−45.649
1.00
47.10
MOL1
C


ATOM
449
C
PRO
A
59
39.774
−50.451
−44.722
1.00
48.92
MOL1
C


ATOM
450
O
PRO
A
59
40.312
−51.472
−44.331
1.00
50.56
MOL1
O


ATOM
451
N
SER
A
60
38.571
−50.408
−45.254
1.00
60.71
MOL1
N


ATOM
452
CA
SER
A
60
37.716
−51.560
−45.394
1.00
62.90
MOL1
C


ATOM
453
CB
SER
A
60
36.349
−51.056
−45.920
1.00
73.59
MOL1
C


ATOM
454
OG
SER
A
60
36.074
−49.695
−45.508
1.00
70.93
MOL1
O


ATOM
455
C
SER
A
60
38.332
−52.630
−46.325
1.00
59.30
MOL1
C


ATOM
456
O
SER
A
60
38.222
−53.827
−46.047
1.00
52.16
MOL1
O


ATOM
457
N
ARG
A
61
39.001
−52.194
−47.403
1.00
57.27
MOL1
N


ATOM
458
CA
ARG
A
61
39.595
−53.110
−48.401
1.00
50.63
MOL1
C


ATOM
459
CB
ARG
A
61
40.135
−52.329
−49.615
1.00
44.86
MOL1
C


ATOM
460
CG
ARG
A
61
40.850
−51.018
−49.297
1.00
48.98
MOL1
C


ATOM
461
CD
ARG
A
61
41.327
−50.284
−50.562
1.00
38.52
MOL1
C


ATOM
462
NE
ARG
A
61
42.113
−49.084
−50.256
1.00
36.18
MOL1
N


ATOM
463
CZ
ARG
A
61
41.633
−48.005
−49.641
1.00
45.79
MOL1
C


ATOM
464
NH1
ARG
A
61
40.364
−47.972
−49.265
1.00
59.68
MOL1
N


ATOM
465
NH2
ARG
A
61
42.410
−46.955
−49.396
1.00
43.46
MOL1
N


ATOM
466
C
ARG
A
61
40.653
−54.103
−47.951
1.00
48.11
MOL1
C


ATOM
467
O
ARG
A
61
40.679
−55.230
−48.426
1.00
49.00
MOL1
O


ATOM
468
N
PHE
A
62
41.524
−53.702
−47.040
1.00
51.14
MOL1
N


ATOM
469
CA
PHE
A
62
42.579
−54.595
−46.560
1.00
50.93
MOL1
C


ATOM
470
CB
PHE
A
62
43.596
−53.804
−45.744
1.00
51.89
MOL1
C


ATOM
471
CG
PHE
A
62
44.446
−52.895
−46.561
1.00
46.54
MOL1
C


ATOM
472
CD1
PHE
A
62
45.569
−53.374
−47.197
1.00
51.00
MOL1
C


ATOM
473
CD2
PHE
A
62
44.117
−51.571
−46.702
1.00
47.30
MOL1
C


ATOM
474
CE1
PHE
A
62
46.351
−52.549
−47.957
1.00
54.48
MOL1
C


ATOM
475
CE2
PHE
A
62
44.894
−50.738
−47.465
1.00
54.48
MOL1
C


ATOM
476
CZ
PHE
A
62
46.016
−51.228
−48.094
1.00
54.72
MOL1
C


ATOM
477
C
PHE
A
62
42.029
−55.724
−45.707
1.00
50.14
MOL1
C


ATOM
478
O
PHE
A
62
41.314
−55.478
−44.741
1.00
53.36
MOL1
O


ATOM
479
N
SER
A
63
42.382
−56.960
−46.047
1.00
50.94
MOL1
N


ATOM
480
CA
SER
A
63
41.903
−58.131
−45.299
1.00
54.44
MOL1
C


ATOM
481
CB
SER
A
63
40.640
−58.702
−45.963
1.00
55.07
MOL1
C


ATOM
482
OG
SER
A
63
40.676
−58.570
−47.379
1.00
55.10
MOL1
O


ATOM
483
C
SER
A
63
42.937
−59.249
−45.147
1.00
53.22
MOL1
C


ATOM
484
O
SER
A
63
43.529
−59.695
−46.119
1.00
48.30
MOL1
O


ATOM
485
N
GLY
A
64
43.146
−59.706
−43.920
1.00
57.34
MOL1
N


ATOM
486
CA
GLY
A
64
44.112
−60.766
−43.690
1.00
60.19
MOL1
C


ATOM
487
C
GLY
A
64
43.429
−62.111
−43.737
1.00
63.57
MOL1
C


ATOM
488
O
GLY
A
64
42.224
−62.166
−43.974
1.00
70.23
MOL1
O


ATOM
489
N
SER
A
65
44.179
−63.188
−43.515
1.00
64.27
MOL1
N


ATOM
490
CA
SER
A
65
43.611
−64.543
−43.539
1.00
65.17
MOL1
C


ATOM
491
CB
SER
A
65
42.818
−64.763
−44.816
1.00
58.41
MOL1
C


ATOM
492
OG
SER
A
65
43.689
−64.837
−45.915
1.00
51.64
MOL1
O


ATOM
493
C
SER
A
65
44.689
−65.612
−43.478
1.00
68.10
MOL1
C


ATOM
494
O
SER
A
65
45.642
−65.562
−44.247
1.00
73.66
MOL1
O


ATOM
495
N
GLY
A
66
44.542
−66.590
−42.592
1.00
66.93
MOL1
N


ATOM
496
CA
GLY
A
66
45.564
−67.610
−42.522
1.00
72.19
MOL1
C


ATOM
497
C
GLY
A
66
45.465
−68.652
−41.431
1.00
78.05
MOL1
C


ATOM
498
O
GLY
A
66
44.768
−68.487
−40.431
1.00
78.15
MOL1
O


ATOM
499
N
SER
A
67
46.204
−69.735
−41.641
1.00
84.82
MOL1
N


ATOM
500
CA
SER
A
67
46.245
−70.864
−40.726
1.00
92.63
MOL1
C


ATOM
501
CB
SER
A
67
46.594
−72.142
−41.522
1.00
98.58
MOL1
C


ATOM
502
OG
SER
A
67
46.395
−73.337
−40.771
1.00
104.28
MOL1
O


ATOM
503
C
SER
A
67
47.292
−70.612
−39.646
1.00
91.84
MOL1
C


ATOM
504
O
SER
A
67
47.033
−69.929
−38.649
1.00
88.73
MOL1
O


ATOM
505
N
GLY
A
68
48.475
−71.175
−39.868
1.00
91.75
MOL1
N


ATOM
506
CA
GLY
A
68
49.575
−71.034
−38.934
1.00
91.50
MOL1
C


ATOM
507
C
GLY
A
68
50.883
−71.335
−39.640
1.00
91.39
MOL1
C


ATOM
508
O
GLY
A
68
51.926
−71.482
−39.010
1.00
90.20
MOL1
O


ATOM
509
N
THR
A
69
50.815
−71.431
−40.964
1.00
92.60
MOL1
N


ATOM
510
CA
THR
A
69
51.985
−71.707
−41.796
1.00
93.85
MOL1
C


ATOM
511
CB
THR
A
69
52.082
−73.213
−42.153
1.00
98.87
MOL1
C


ATOM
512
OG1
THR
A
69
52.875
−73.372
−43.335
1.00
101.90
MOL1
O


ATOM
513
CG2
THR
A
69
50.694
−73.811
−42.391
1.00
103.36
MOL1
C


ATOM
514
C
THR
A
69
51.913
−70.893
−43.088
1.00
89.96
MOL1
C


ATOM
515
O
THR
A
69
52.928
−70.476
−43.642
1.00
86.26
MOL1
O


ATOM
516
N
ASP
A
70
50.695
−70.670
−43.558
1.00
87.82
MOL1
N


ATOM
517
CA
ASP
A
70
50.466
−69.906
−44.770
1.00
85.45
MOL1
C


ATOM
518
CB
ASP
A
70
49.881
−70.815
−45.848
1.00
95.94
MOL1
C


ATOM
519
CG
ASP
A
70
50.904
−71.768
−46.422
1.00
104.24
MOL1
C


ATOM
520
OD1
ASP
A
70
51.583
−71.378
−47.400
1.00
111.20
MOL1
O


ATOM
521
OD2
ASP
A
70
51.038
−72.896
−45.891
1.00
104.29
MOL1
O


ATOM
522
C
ASP
A
70
49.491
−68.786
−44.463
1.00
76.70
MOL1
C


ATOM
523
O
ASP
A
70
48.476
−69.002
−43.812
1.00
79.25
MOL1
O


ATOM
524
N
PHE
A
71
49.803
−67.591
−44.935
1.00
65.62
MOL1
N


ATOM
525
CA
PHE
A
71
48.947
−66.446
−44.712
1.00
57.28
MOL1
C


ATOM
526
CB
PHE
A
71
49.515
−65.591
−43.610
1.00
55.73
MOL1
C


ATOM
527
CG
PHE
A
71
49.677
−66.310
−42.327
1.00
57.16
MOL1
C


ATOM
528
CD1
PHE
A
71
48.666
−66.313
−41.394
1.00
61.41
MOL1
C


ATOM
529
CD2
PHE
A
71
50.851
−66.957
−42.034
1.00
56.82
MOL1
C


ATOM
530
CE1
PHE
A
71
48.833
−66.945
−40.190
1.00
62.74
MOL1
C


ATOM
531
CE2
PHE
A
71
51.019
−67.588
−40.833
1.00
57.76
MOL1
C


ATOM
532
CZ
PHE
A
71
50.013
−67.582
−39.910
1.00
60.40
MOL1
C


ATOM
533
C
PHE
A
71
48.861
−65.621
−45.969
1.00
53.97
MOL1
C


ATOM
534
O
PHE
A
71
49.711
−65.713
−46.843
1.00
54.59
MOL1
O


ATOM
535
N
THR
A
72
47.847
−64.785
−46.050
1.00
49.73
MOL1
N


ATOM
536
CA
THR
A
72
47.694
−63.975
−47.228
1.00
52.51
MOL1
C


ATOM
537
CB
THR
A
72
46.884
−64.747
−48.258
1.00
52.75
MOL1
C


ATOM
538
OG1
THR
A
72
45.947
−65.587
−47.577
1.00
64.27
MOL1
O


ATOM
539
CG2
THR
A
72
47.790
−65.642
−49.075
1.00
60.75
MOL1
C


ATOM
540
C
THR
A
72
47.040
−62.646
−46.923
1.00
52.73
MOL1
C


ATOM
541
O
THR
A
72
46.052
−62.582
−46.196
1.00
63.07
MOL1
O


ATOM
542
N
LEU
A
73
47.622
−61.575
−47.442
1.00
46.87
MOL1
N


ATOM
543
CA
LEU
A
73
47.058
−60.253
−47.244
1.00
45.65
MOL1
C


ATOM
544
CB
LEU
A
73
48.141
−59.220
−46.949
1.00
41.84
MOL1
C


ATOM
545
CG
LEU
A
73
47.623
−57.784
−47.007
1.00
36.88
MOL1
C


ATOM
546
CD1
LEU
A
73
46.384
−57.656
−46.159
1.00
41.11
MOL1
C


ATOM
547
CD2
LEU
A
73
48.678
−56.844
−46.521
1.00
31.94
MOL1
C


ATOM
548
C
LEU
A
73
46.404
−59.949
−48.564
1.00
45.20
MOL1
C


ATOM
549
O
LEU
A
73
46.907
−60.347
−49.598
1.00
47.90
MOL1
O


ATOM
550
N
THR
A
74
45.279
−59.255
−48.551
1.00
47.26
MOL1
N


ATOM
551
CA
THR
A
74
44.619
−58.979
−49.809
1.00
44.51
MOL1
C


ATOM
552
CB
THR
A
74
43.712
−60.167
−50.198
1.00
41.06
MOL1
C


ATOM
553
OG1
THR
A
74
42.684
−59.708
−51.073
1.00
47.07
MOL1
O


ATOM
554
CG2
THR
A
74
43.108
−60.828
−48.960
1.00
35.97
MOL1
C


ATOM
555
C
THR
A
74
43.844
−57.672
−49.871
1.00
43.60
MOL1
C


ATOM
556
O
THR
A
74
43.046
−57.345
−48.991
1.00
46.72
MOL1
O


ATOM
557
N
ILE
A
75
44.102
−56.927
−50.933
1.00
37.25
MOL1
N


ATOM
558
CA
ILE
A
75
43.465
−55.655
−51.145
1.00
43.51
MOL1
C


ATOM
559
CB
ILE
A
75
44.519
−54.661
−51.591
1.00
38.34
MOL1
C


ATOM
560
CG2
ILE
A
75
43.889
−53.329
−51.907
1.00
45.29
MOL1
C


ATOM
561
CG1
ILE
A
75
45.563
−54.528
−50.483
1.00
40.01
MOL1
C


ATOM
562
CD1
ILE
A
75
46.792
−53.717
−50.864
1.00
44.00
MOL1
C


ATOM
563
C
ILE
A
75
42.360
−55.826
−52.191
1.00
51.76
MOL1
C


ATOM
564
O
ILE
A
75
42.638
−55.972
−53.375
1.00
54.94
MOL1
O


ATOM
565
N
SER
A
76
41.107
−55.816
−51.734
1.00
56.54
MOL1
N


ATOM
566
CA
SER
A
76
39.951
−56.004
−52.605
1.00
57.64
MOL1
C


ATOM
567
CB
SER
A
76
38.660
−55.979
−51.789
1.00
66.08
MOL1
C


ATOM
568
OG
SER
A
76
38.509
−54.748
−51.105
1.00
79.00
MOL1
O


ATOM
569
C
SER
A
76
39.831
−55.022
−53.751
1.00
58.33
MOL1
C


ATOM
570
O
SER
A
76
39.343
−55.378
−54.819
1.00
65.75
MOL1
O


ATOM
571
N
SER
A
77
40.266
−53.787
−53.553
1.00
54.83
MOL1
N


ATOM
572
CA
SER
A
77
40.166
−52.825
−54.633
1.00
54.06
MOL1
C


ATOM
573
CB
SER
A
77
38.801
−52.148
−54.570
1.00
51.46
MOL1
C


ATOM
574
OG
SER
A
77
38.583
−51.319
−55.694
1.00
63.11
MOL1
O


ATOM
575
C
SER
A
77
41.293
−51.807
−54.534
1.00
54.48
MOL1
C


ATOM
576
O
SER
A
77
41.129
−50.745
−53.935
1.00
60.30
MOL1
O


ATOM
577
N
LEU
A
78
42.432
−52.131
−55.139
1.00
50.14
MOL1
N


ATOM
578
CA
LEU
A
78
43.598
−51.257
−55.081
1.00
51.12
MOL1
C


ATOM
579
CB
LEU
A
78
44.644
−51.685
−56.099
1.00
51.48
MOL1
C


ATOM
580
CG
LEU
A
78
46.065
−51.361
−55.647
1.00
45.21
MOL1
C


ATOM
581
CD1
LEU
A
78
46.215
−51.714
−54.187
1.00
49.93
MOL1
C


ATOM
582
CD2
LEU
A
78
47.057
−52.158
−56.471
1.00
53.87
MOL1
C


ATOM
583
C
LEU
A
78
43.266
−49.795
−55.273
1.00
50.05
MOL1
C


ATOM
584
O
LEU
A
78
42.458
−49.432
−56.113
1.00
52.69
MOL1
O


ATOM
585
N
GLN
A
79
43.913
−48.960
−54.478
1.00
51.14
MOL1
N


ATOM
586
CA
GLN
A
79
43.686
−47.533
−54.505
1.00
54.98
MOL1
C


ATOM
587
CB
GLN
A
79
43.013
−47.138
−53.195
1.00
59.11
MOL1
C


ATOM
588
CG
GLN
A
79
41.566
−47.551
−53.132
1.00
56.17
MOL1
C


ATOM
589
CD
GLN
A
79
40.705
−46.616
−53.944
1.00
65.00
MOL1
C


ATOM
590
OE1
GLN
A
79
40.548
−45.445
−53.584
1.00
69.29
MOL1
O


ATOM
591
NE2
GLN
A
79
40.154
−47.111
−55.052
1.00
60.06
MOL1
N


ATOM
592
C
GLN
A
79
44.998
−46.782
−54.696
1.00
55.91
MOL1
C


ATOM
593
O
GLN
A
79
46.067
−47.289
−54.369
1.00
59.17
MOL1
O


ATOM
594
N
PRO
A
80
44.932
−45.553
−55.216
1.00
54.38
MOL1
N


ATOM
595
CD
PRO
A
80
43.722
−44.744
−55.426
1.00
55.89
MOL1
C


ATOM
596
CA
PRO
A
80
46.132
−44.753
−55.445
1.00
56.22
MOL1
C


ATOM
597
CB
PRO
A
80
45.579
−43.344
−55.609
1.00
56.08
MOL1
C


ATOM
598
CG
PRO
A
80
44.255
−43.577
−56.221
1.00
57.32
MOL1
C


ATOM
599
C
PRO
A
80
47.115
−44.837
−54.295
1.00
59.55
MOL1
C


ATOM
600
O
PRO
A
80
48.287
−45.128
−54.486
1.00
63.58
MOL1
O


ATOM
601
N
GLU
A
81
46.625
−44.589
−53.090
1.00
64.22
MOL1
N


ATOM
602
CA
GLU
A
81
47.484
−44.599
−51.915
1.00
67.38
MOL1
C


ATOM
603
CB
GLU
A
81
46.868
−43.748
−50.790
1.00
75.36
MOL1
C


ATOM
604
CG
GLU
A
81
45.403
−44.042
−50.433
1.00
89.45
MOL1
C


ATOM
605
CD
GLU
A
81
44.411
−43.540
−51.485
1.00
99.68
MOL1
C


ATOM
606
OE1
GLU
A
81
44.598
−42.413
−51.993
1.00
107.02
MOL1
O


ATOM
607
OE2
GLU
A
81
43.434
−44.260
−51.793
1.00
103.73
MOL1
O


ATOM
608
C
GLU
A
81
47.838
−45.972
−51.373
1.00
63.47
MOL1
C


ATOM
609
O
GLU
A
81
48.442
−46.078
−50.310
1.00
66.19
MOL1
O


ATOM
610
N
ASP
A
82
47.478
−47.025
−52.093
1.00
55.40
MOL1
N


ATOM
611
CA
ASP
A
82
47.787
−48.360
−51.612
1.00
52.01
MOL1
C


ATOM
612
CB
ASP
A
82
46.642
−49.312
−51.938
1.00
56.83
MOL1
C


ATOM
613
CG
ASP
A
82
45.415
−49.054
−51.078
1.00
66.32
MOL1
C


ATOM
614
OD1
ASP
A
82
44.359
−49.654
−51.361
1.00
72.61
MOL1
O


ATOM
615
OD2
ASP
A
82
45.509
−48.256
−50.113
1.00
68.72
MOL1
O


ATOM
616
C
ASP
A
82
49.087
−48.858
−52.195
1.00
46.60
MOL1
C


ATOM
617
O
ASP
A
82
49.567
−49.941
−51.874
1.00
43.30
MOL1
O


ATOM
618
N
PHE
A
83
49.668
−48.033
−53.046
1.00
47.70
MOL1
N


ATOM
619
CA
PHE
A
83
50.921
−48.370
−53.679
1.00
44.13
MOL1
C


ATOM
620
CB
PHE
A
83
51.070
−47.521
−54.933
1.00
41.53
MOL1
C


ATOM
621
CG
PHE
A
83
50.119
−47.924
−56.015
1.00
42.12
MOL1
C


ATOM
622
CD1
PHE
A
83
49.467
−46.981
−56.783
1.00
45.02
MOL1
C


ATOM
623
CD2
PHE
A
83
49.866
−49.269
−56.249
1.00
39.47
MOL1
C


ATOM
624
CE1
PHE
A
83
48.577
−47.370
−57.768
1.00
42.50
MOL1
C


ATOM
625
CE2
PHE
A
83
48.990
−49.664
−57.221
1.00
38.30
MOL1
C


ATOM
626
CZ
PHE
A
83
48.341
−48.713
−57.985
1.00
45.95
MOL1
C


ATOM
627
C
PHE
A
83
52.052
−48.161
−52.697
1.00
43.58
MOL1
C


ATOM
628
O
PHE
A
83
52.493
−47.032
−52.449
1.00
45.73
MOL1
O


ATOM
629
N
ALA
A
84
52.493
−49.270
−52.120
1.00
37.49
MOL1
N


ATOM
630
CA
ALA
A
84
53.559
−49.243
−51.147
1.00
40.43
MOL1
C


ATOM
631
CB
ALA
A
84
53.029
−48.767
−49.818
1.00
43.56
MOL1
C


ATOM
632
C
ALA
A
84
54.132
−50.634
−51.006
1.00
42.01
MOL1
C


ATOM
633
O
ALA
A
84
53.845
−51.518
−51.804
1.00
41.77
MOL1
O


ATOM
634
N
THR
A
85
54.945
−50.826
−49.980
1.00
40.50
MOL1
N


ATOM
635
CA
THR
A
85
55.553
−52.116
−49.747
1.00
39.92
MOL1
C


ATOM
636
CB
THR
A
85
57.031
−51.947
−49.460
1.00
40.88
MOL1
C


ATOM
637
OG1
THR
A
85
57.604
−51.091
−50.459
1.00
42.78
MOL1
O


ATOM
638
CG2
THR
A
85
57.726
−53.299
−49.478
1.00
43.47
MOL1
C


ATOM
639
C
THR
A
85
54.861
−52.701
−48.542
1.00
37.47
MOL1
C


ATOM
640
O
THR
A
85
54.524
−51.956
−47.630
1.00
46.04
MOL1
O


ATOM
641
N
TYR
A
86
54.645
−54.015
−48.533
1.00
28.79
MOL1
N


ATOM
642
CA
TYR
A
86
53.965
−54.650
−47.410
1.00
31.98
MOL1
C


ATOM
643
CB
TYR
A
86
52.646
−55.275
−47.867
1.00
26.49
MOL1
C


ATOM
644
CG
TYR
A
86
51.683
−54.268
−48.411
1.00
31.80
MOL1
C


ATOM
645
CD1
TYR
A
86
51.686
−53.929
−49.751
1.00
35.58
MOL1
C


ATOM
646
CE1
TYR
A
86
50.866
−52.925
−50.235
1.00
41.53
MOL1
C


ATOM
647
CD2
TYR
A
86
50.826
−53.581
−47.563
1.00
39.59
MOL1
C


ATOM
648
CE2
TYR
A
86
50.004
−52.575
−48.034
1.00
44.60
MOL1
C


ATOM
649
CZ
TYR
A
86
50.028
−52.251
−49.369
1.00
44.00
MOL1
C


ATOM
650
OH
TYR
A
86
49.209
−51.253
−49.830
1.00
43.24
MOL1
O


ATOM
651
C
TYR
A
86
54.802
−55.709
−46.734
1.00
34.26
MOL1
C


ATOM
652
O
TYR
A
86
55.434
−56.512
−47.405
1.00
40.66
MOL1
O


ATOM
653
N
TYR
A
87
54.803
−55.717
−45.405
1.00
33.32
MOL1
N


ATOM
654
CA
TYR
A
87
55.568
−56.712
−44.658
1.00
38.87
MOL1
C


ATOM
655
CB
TYR
A
87
56.624
−56.051
−43.773
1.00
36.89
MOL1
C


ATOM
656
CG
TYR
A
87
57.685
−55.249
−44.478
1.00
42.15
MOL1
C


ATOM
657
CD1
TYR
A
87
58.720
−55.857
−45.146
1.00
40.66
MOL1
C


ATOM
658
CE1
TYR
A
87
59.692
−55.105
−45.755
1.00
45.97
MOL1
C


ATOM
659
CD2
TYR
A
87
57.656
−53.869
−44.443
1.00
50.79
MOL1
C


ATOM
660
CE2
TYR
A
87
58.614
−53.116
−45.043
1.00
44.67
MOL1
C


ATOM
661
CZ
TYR
A
87
59.626
−53.729
−45.698
1.00
47.60
MOL1
C


ATOM
662
OH
TYR
A
87
60.561
−52.943
−46.322
1.00
60.90
MOL1
O


ATOM
663
C
TYR
A
87
54.697
−57.563
−43.729
1.00
41.64
MOL1
C


ATOM
664
O
TYR
A
87
53.758
−57.056
−43.113
1.00
48.19
MOL1
O


ATOM
665
N
CYS
A
88
55.008
−58.852
−43.622
1.00
36.06
MOL1
N


ATOM
666
CA
CYS
A
88
54.294
−59.709
−42.699
1.00
35.87
MOL1
C


ATOM
667
C
CYS
A
88
55.242
−59.871
−41.530
1.00
35.09
MOL1
C


ATOM
668
O
CYS
A
88
56.423
−59.588
−41.652
1.00
35.96
MOL1
O


ATOM
669
CB
CYS
A
88
53.976
−61.072
−43.305
1.00
46.96
MOL1
C


ATOM
670
SG
CYS
A
88
55.305
−61.989
−44.165
1.00
71.08
MOL1
S


ATOM
671
N
GLN
A
89
54.737
−60.287
−40.382
1.00
34.49
MOL1
N


ATOM
672
CA
GLN
A
89
55.600
−60.461
−39.234
1.00
37.20
MOL1
C


ATOM
673
CB
GLN
A
89
55.804
−59.154
−38.489
1.00
33.50
MOL1
C


ATOM
674
CG
GLN
A
89
56.361
−59.397
−37.094
1.00
44.65
MOL1
C


ATOM
675
CD
GLN
A
89
56.013
−58.301
−36.118
1.00
49.46
MOL1
C


ATOM
676
OE1
GLN
A
89
54.910
−57.757
−36.166
1.00
50.94
MOL1
O


ATOM
677
NE2
GLN
A
89
56.941
−57.982
−35.208
1.00
46.81
MOL1
N


ATOM
678
C
GLN
A
89
54.978
−61.454
−38.291
1.00
44.45
MOL1
C


ATOM
679
O
GLN
A
89
53.758
−61.519
−38.172
1.00
51.12
MOL1
O


ATOM
680
N
GLN
A
90
55.820
−62.229
−37.619
1.00
47.34
MOL1
N


ATOM
681
CA
GLN
A
90
55.348
−63.226
−36.672
1.00
50.10
MOL1
C


ATOM
682
CB
GLN
A
90
55.862
−64.608
−37.060
1.00
55.58
MOL1
C


ATOM
683
CG
GLN
A
90
57.377
−64.774
−37.019
1.00
61.93
MOL1
C


ATOM
684
CD
GLN
A
90
57.891
−65.004
−35.615
1.00
71.03
MOL1
C


ATOM
685
OE1
GLN
A
90
57.237
−65.669
−34.812
1.00
74.70
MOL1
O


ATOM
686
NE2
GLN
A
90
59.075
−64.472
−35.313
1.00
76.62
MOL1
N


ATOM
687
C
GLN
A
90
55.868
−62.855
−35.309
1.00
51.67
MOL1
C


ATOM
688
O
GLN
A
90
56.885
−62.179
−35.202
1.00
58.41
MOL1
O


ATOM
689
N
THR
A
91
55.168
−63.280
−34.265
1.00
51.85
MOL1
N


ATOM
690
CA
THR
A
91
55.593
−62.987
−32.902
1.00
55.11
MOL1
C


ATOM
691
CB
THR
A
91
54.778
−61.855
−32.274
1.00
46.22
MOL1
C


ATOM
692
OG1
THR
A
91
53.388
−62.151
−32.401
1.00
48.12
MOL1
O


ATOM
693
CG2
THR
A
91
55.077
−60.541
−32.946
1.00
44.09
MOL1
C


ATOM
694
C
THR
A
91
55.435
−64.220
−32.027
1.00
64.53
MOL1
C


ATOM
695
O
THR
A
91
55.304
−64.120
−30.808
1.00
67.98
MOL1
O


ATOM
696
N
TRP
A
92
55.443
−65.385
−32.658
1.00
72.17
MOL1
N


ATOM
697
CA
TRP
A
92
55.323
−66.638
−31.937
1.00
79.07
MOL1
C


ATOM
698
CB
TRP
A
92
54.998
−67.758
−32.917
1.00
81.59
MOL1
C


ATOM
699
CG
TRP
A
92
54.701
−69.061
−32.275
1.00
86.75
MOL1
C


ATOM
700
CD2
TRP
A
92
54.106
−69.274
−30.990
1.00
92.89
MOL1
C


ATOM
701
CE2
TRP
A
92
53.909
−70.658
−30.850
1.00
94.73
MOL1
C


ATOM
702
CE3
TRP
A
92
53.716
−68.430
−29.947
1.00
101.96
MOL1
C


ATOM
703
CD1
TRP
A
92
54.845
−70.285
−32.836
1.00
88.08
MOL1
C


ATOM
704
NE1
TRP
A
92
54.372
−71.253
−31.992
1.00
93.41
MOL1
N


ATOM
705
CZ2
TRP
A
92
53.337
−71.222
−29.712
1.00
100.68
MOL1
C


ATOM
706
CZ3
TRP
A
92
53.149
−68.991
−28.813
1.00
106.61
MOL1
C


ATOM
707
CH2
TRP
A
92
52.964
−70.374
−28.707
1.00
104.86
MOL1
C


ATOM
708
C
TRP
A
92
56.654
−66.939
−31.253
1.00
83.90
MOL1
C


ATOM
709
O
TRP
A
92
56.732
−67.010
−30.026
1.00
83.82
MOL1
O


ATOM
710
N
SER
A
93
57.698
−67.114
−32.064
1.00
89.43
MOL1
N


ATOM
711
CA
SER
A
93
59.036
−67.419
−31.562
1.00
93.50
MOL1
C


ATOM
712
CB
SER
A
93
59.828
−68.239
−32.571
1.00
96.02
MOL1
C


ATOM
713
OG
SER
A
93
61.175
−68.365
−32.142
1.00
102.98
MOL1
O


ATOM
714
C
SER
A
93
59.807
−66.157
−31.260
1.00
95.51
MOL1
C


ATOM
715
O
SER
A
93
59.839
−65.233
−32.079
1.00
95.35
MOL1
O


ATOM
716
N
ASP
A
94
60.466
−66.151
−30.105
1.00
95.58
MOL1
N


ATOM
717
CA
ASP
A
94
61.212
−64.992
−29.632
1.00
98.53
MOL1
C


ATOM
718
CB
ASP
A
94
62.172
−65.393
−28.526
1.00
104.00
MOL1
C


ATOM
719
CG
ASP
A
94
62.238
−64.345
−27.434
1.00
112.24
MOL1
C


ATOM
720
OD1
ASP
A
94
62.584
−63.182
−27.751
1.00
109.59
MOL1
O


ATOM
721
OD2
ASP
A
94
61.928
−64.681
−26.266
1.00
118.48
MOL1
O


ATOM
722
C
ASP
A
94
61.936
−64.090
−30.638
1.00
97.05
MOL1
C


ATOM
723
O
ASP
A
94
61.807
−62.865
−30.565
1.00
104.64
MOL1
O


ATOM
724
N
PRO
A
95
62.742
−64.653
−31.552
1.00
87.92
MOL1
N


ATOM
725
CD
PRO
A
95
63.460
−65.934
−31.551
1.00
81.97
MOL1
C


ATOM
726
CA
PRO
A
95
63.374
−63.703
−32.477
1.00
79.51
MOL1
C


ATOM
727
CB
PRO
A
95
64.457
−64.533
−33.148
1.00
69.47
MOL1
C


ATOM
728
CG
PRO
A
95
64.798
−65.520
−32.099
1.00
80.78
MOL1
C


ATOM
729
C
PRO
A
95
62.309
−63.263
−33.474
1.00
77.32
MOL1
C


ATOM
730
O
PRO
A
95
62.249
−63.778
−34.587
1.00
82.32
MOL1
O


ATOM
731
N
TRP
A
96
61.450
−62.336
−33.066
1.00
69.04
MOL1
N


ATOM
732
CA
TRP
A
96
60.397
−61.862
−33.945
1.00
66.16
MOL1
C


ATOM
733
CB
TRP
A
96
59.733
−60.631
−33.331
1.00
66.86
MOL1
C


ATOM
734
CG
TRP
A
96
59.124
−60.900
−31.992
1.00
67.18
MOL1
C


ATOM
735
CD2
TRP
A
96
58.857
−59.945
−30.961
1.00
67.83
MOL1
C


ATOM
736
CE2
TRP
A
96
58.234
−60.633
−29.902
1.00
67.54
MOL1
C


ATOM
737
CE3
TRP
A
96
59.081
−58.576
−30.830
1.00
70.92
MOL1
C


ATOM
738
CD1
TRP
A
96
58.666
−62.095
−31.530
1.00
71.15
MOL1
C


ATOM
739
NE1
TRP
A
96
58.129
−61.947
−30.271
1.00
69.68
MOL1
N


ATOM
740
CZ2
TRP
A
96
57.835
−60.000
−28.736
1.00
68.19
MOL1
C


ATOM
741
CZ3
TRP
A
96
58.682
−57.948
−29.665
1.00
73.55
MOL1
C


ATOM
742
CH2
TRP
A
96
58.067
−58.659
−28.636
1.00
70.77
MOL1
C


ATOM
743
C
TRP
A
96
60.997
−61.542
−35.317
1.00
64.17
MOL1
C


ATOM
744
O
TRP
A
96
61.995
−60.836
−35.418
1.00
64.70
MOL1
O


ATOM
745
N
THR
A
97
60.387
−62.058
−36.374
1.00
59.27
MOL1
N


ATOM
746
CA
THR
A
97
60.917
−61.846
−37.711
1.00
60.60
MOL1
C


ATOM
747
CB
THR
A
97
61.405
−63.167
−38.259
1.00
60.68
MOL1
C


ATOM
748
OG1
THR
A
97
60.391
−64.161
−38.061
1.00
58.89
MOL1
O


ATOM
749
CG2
THR
A
97
62.645
−63.598
−37.526
1.00
61.36
MOL1
C


ATOM
750
C
THR
A
97
59.937
−61.239
−38.705
1.00
61.06
MOL1
C


ATOM
751
O
THR
A
97
58.726
−61.358
−38.544
1.00
69.11
MOL1
O


ATOM
752
N
PHE
A
98
60.463
−60.590
−39.739
1.00
54.88
MOL1
N


ATOM
753
CA
PHE
A
98
59.615
−59.974
−40.756
1.00
50.50
MOL1
C


ATOM
754
CB
PHE
A
98
59.934
−58.484
−40.917
1.00
50.06
MOL1
C


ATOM
755
CG
PHE
A
98
59.553
−57.644
−39.743
1.00
51.18
MOL1
C


ATOM
756
CD1
PHE
A
98
60.091
−57.882
−38.493
1.00
57.23
MOL1
C


ATOM
757
CD2
PHE
A
98
58.649
−56.618
−39.883
1.00
56.31
MOL1
C


ATOM
758
CE1
PHE
A
98
59.728
−57.108
−37.396
1.00
51.93
MOL1
C


ATOM
759
CE2
PHE
A
98
58.284
−55.845
−38.791
1.00
58.59
MOL1
C


ATOM
760
CZ
PHE
A
98
58.827
−56.096
−37.549
1.00
52.32
MOL1
C


ATOM
761
C
PHE
A
98
59.793
−60.648
−42.107
1.00
48.51
MOL1
C


ATOM
762
O
PHE
A
98
60.632
−61.517
−42.279
1.00
52.64
MOL1
O


ATOM
763
N
GLY
A
99
58.986
−60.236
−43.067
1.00
49.51
MOL1
N


ATOM
764
CA
GLY
A
99
59.086
−60.799
−44.390
1.00
46.65
MOL1
C


ATOM
765
C
GLY
A
99
60.040
−59.922
−45.160
1.00
49.43
MOL1
C


ATOM
766
O
GLY
A
99
60.488
−58.888
−44.663
1.00
48.03
MOL1
O


ATOM
767
N
GLN
A
100
60.366
−60.340
−46.371
1.00
50.20
MOL1
N


ATOM
768
CA
GLN
A
100
61.262
−59.578
−47.211
1.00
49.98
MOL1
C


ATOM
769
CB
GLN
A
100
61.723
−60.441
−48.363
1.00
57.87
MOL1
C


ATOM
770
CG
GLN
A
100
60.998
−61.778
−48.411
1.00
68.47
MOL1
C


ATOM
771
CD
GLN
A
100
59.849
−61.780
−49.397
1.00
70.21
MOL1
C


ATOM
772
OE1
GLN
A
100
59.070
−62.737
−49.461
1.00
66.70
MOL1
O


ATOM
773
NE2
GLN
A
100
59.745
−60.709
−50.183
1.00
65.68
MOL1
N


ATOM
774
C
GLN
A
100
60.534
−58.357
−47.723
1.00
49.56
MOL1
C


ATOM
775
O
GLN
A
100
61.161
−57.399
−48.161
1.00
54.53
MOL1
O


ATOM
776
N
GLY
A
101
59.207
−58.396
−47.657
1.00
47.46
MOL1
N


ATOM
777
CA
GLY
A
101
58.400
−57.277
−48.110
1.00
50.03
MOL1
C


ATOM
778
C
GLY
A
101
58.022
−57.342
−49.576
1.00
50.81
MOL1
C


ATOM
779
O
GLY
A
101
58.829
−57.745
−50.410
1.00
56.79
MOL1
O


ATOM
780
N
THR
A
102
56.796
−56.932
−49.890
1.00
47.60
MOL1
N


ATOM
781
CA
THR
A
102
56.305
−56.952
−51.258
1.00
40.57
MOL1
C


ATOM
782
CB
THR
A
102
55.035
−57.737
−51.366
1.00
37.32
MOL1
C


ATOM
783
OG1
THR
A
102
55.265
−59.080
−50.931
1.00
38.63
MOL1
O


ATOM
784
CG2
THR
A
102
54.548
−57.713
−52.789
1.00
37.75
MOL1
C


ATOM
785
C
THR
A
102
55.991
−55.557
−51.714
1.00
41.46
MOL1
C


ATOM
786
O
THR
A
102
55.229
−54.862
−51.068
1.00
45.54
MOL1
O


ATOM
787
N
LYS
A
103
56.569
−55.138
−52.827
1.00
45.04
MOL1
N


ATOM
788
CA
LYS
A
103
56.305
−53.795
−53.304
1.00
48.50
MOL1
C


ATOM
789
CB
LYS
A
103
57.573
−53.127
−53.850
1.00
49.21
MOL1
C


ATOM
790
CG
LYS
A
103
57.312
−51.723
−54.383
1.00
57.11
MOL1
C


ATOM
791
CD
LYS
A
103
58.550
−51.076
−54.977
1.00
63.39
MOL1
C


ATOM
792
CE
LYS
A
103
59.560
−50.704
−53.914
1.00
69.51
MOL1
C


ATOM
793
NZ
LYS
A
103
60.818
−50.204
−54.539
1.00
78.00
MOL1
N


ATOM
794
C
LYS
A
103
55.256
−53.843
−54.383
1.00
49.26
MOL1
C


ATOM
795
O
LYS
A
103
55.372
−54.598
−55.346
1.00
52.49
MOL1
O


ATOM
796
N
VAL
A
104
54.219
−53.038
−54.205
1.00
49.35
MOL1
N


ATOM
797
CA
VAL
A
104
53.135
−52.957
−55.168
1.00
42.36
MOL1
C


ATOM
798
CB
VAL
A
104
51.783
−52.894
−54.469
1.00
33.97
MOL1
C


ATOM
799
CG1
VAL
A
104
50.715
−52.688
−55.481
1.00
32.23
MOL1
C


ATOM
800
CG2
VAL
A
104
51.540
−54.173
−53.674
1.00
28.43
MOL1
C


ATOM
801
C
VAL
A
104
53.344
−51.676
−55.942
1.00
46.45
MOL1
C


ATOM
802
O
VAL
A
104
53.462
−50.605
−55.346
1.00
46.72
MOL1
O


ATOM
803
N
GLU
A
105
53.411
−51.789
−57.264
1.00
51.41
MOL1
N


ATOM
804
CA
GLU
A
105
53.619
−50.629
−58.122
1.00
54.71
MOL1
C


ATOM
805
CB
GLU
A
105
54.998
−50.708
−58.783
1.00
63.51
MOL1
C


ATOM
806
CG
GLU
A
105
56.174
−50.756
−57.799
1.00
67.96
MOL1
C


ATOM
807
CD
GLU
A
105
57.456
−51.309
−58.432
1.00
71.89
MOL1
C


ATOM
808
OE1
GLU
A
105
57.469
−52.519
−58.801
1.00
56.58
MOL1
O


ATOM
809
OE2
GLU
A
105
58.438
−50.525
−58.554
1.00
68.64
MOL1
O


ATOM
810
C
GLU
A
105
52.521
−50.551
−59.176
1.00
52.25
MOL1
C


ATOM
811
O
GLU
A
105
51.925
−51.557
−59.542
1.00
53.45
MOL1
O


ATOM
812
N
ILE
A
106
52.263
−49.353
−59.672
1.00
50.55
MOL1
N


ATOM
813
CA
ILE
A
106
51.212
−49.166
−60.646
1.00
52.76
MOL1
C


ATOM
814
CB
ILE
A
106
50.803
−47.677
−60.680
1.00
62.26
MOL1
C


ATOM
815
CG2
ILE
A
106
52.016
−46.794
−60.970
1.00
61.54
MOL1
C


ATOM
816
CG1
ILE
A
106
49.673
−47.476
−61.688
1.00
73.48
MOL1
C


ATOM
817
CD1
ILE
A
106
48.388
−48.201
−61.320
1.00
75.44
MOL1
C


ATOM
818
C
ILE
A
106
51.565
−49.670
−62.040
1.00
49.48
MOL1
C


ATOM
819
O
ILE
A
106
52.576
−49.281
−62.616
1.00
52.58
MOL1
O


ATOM
820
N
LYS
A
107
50.726
−50.550
−62.578
1.00
46.45
MOL1
N


ATOM
821
CA
LYS
A
107
50.959
−51.104
−63.909
1.00
43.56
MOL1
C


ATOM
822
CB
LYS
A
107
50.135
−52.362
−64.130
1.00
41.97
MOL1
C


ATOM
823
CG
LYS
A
107
50.252
−52.892
−65.538
1.00
53.11
MOL1
C


ATOM
824
CD
LYS
A
107
49.597
−54.256
−65.679
1.00
69.11
MOL1
C


ATOM
825
CE
LYS
A
107
50.142
−55.255
−64.660
1.00
75.38
MOL1
C


ATOM
826
NZ
LYS
A
107
49.707
−56.653
−64.962
1.00
80.88
MOL1
N


ATOM
827
C
LYS
A
107
50.609
−50.118
−64.987
1.00
36.97
MOL1
C


ATOM
828
O
LYS
A
107
49.699
−49.327
−64.819
1.00
41.99
MOL1
O


ATOM
829
N
ARG
A
108
51.347
−50.141
−66.087
1.00
38.31
MOL1
N


ATOM
830
CA
ARG
A
108
51.041
−49.252
−67.199
1.00
44.40
MOL1
C


ATOM
831
CB
ARG
A
108
51.575
−47.840
−66.976
1.00
30.99
MOL1
C


ATOM
832
CG
ARG
A
108
53.067
−47.713
−66.891
1.00
31.05
MOL1
C


ATOM
833
CD
ARG
A
108
53.482
−46.405
−67.515
1.00
18.10
MOL1
C


ATOM
834
NE
ARG
A
108
53.424
−46.544
−68.961
1.00
27.26
MOL1
N


ATOM
835
CZ
ARG
A
108
53.711
−45.570
−69.812
1.00
31.83
MOL1
C


ATOM
836
NH1
ARG
A
108
54.068
−44.380
−69.355
1.00
32.06
MOL1
N


ATOM
837
NH2
ARG
A
108
53.665
−45.790
−71.118
1.00
32.92
MOL1
N


ATOM
838
C
ARG
A
108
51.502
−49.757
−68.555
1.00
50.59
MOL1
C


ATOM
839
O
ARG
A
108
52.133
−50.811
−68.685
1.00
60.53
MOL1
O


ATOM
840
N
THR
A
109
51.156
−48.993
−69.573
1.00
49.21
MOL1
N


ATOM
841
CA
THR
A
109
51.473
−49.344
−70.926
1.00
43.13
MOL1
C


ATOM
842
CB
THR
A
109
50.745
−48.341
−71.814
1.00
34.44
MOL1
C


ATOM
843
OG1
THR
A
109
50.114
−49.046
−72.886
1.00
53.46
MOL1
O


ATOM
844
CG2
THR
A
109
51.671
−47.272
−72.315
1.00
20.82
MOL1
C


ATOM
845
C
THR
A
109
52.993
−49.363
−71.101
1.00
45.40
MOL1
C


ATOM
846
O
THR
A
109
53.678
−48.470
−70.610
1.00
40.62
MOL1
O


ATOM
847
N
ASP
A
110
53.519
−50.406
−71.754
1.00
45.48
MOL1
N


ATOM
848
CA
ASP
A
110
54.965
−50.524
−71.980
1.00
42.11
MOL1
C


ATOM
849
CB
ASP
A
110
55.299
−51.763
−72.815
1.00
44.93
MOL1
C


ATOM
850
CG
ASP
A
110
55.170
−53.058
−72.035
1.00
55.76
MOL1
C


ATOM
851
OD1
ASP
A
110
54.900
−53.007
−70.809
1.00
53.90
MOL1
O


ATOM
852
OD2
ASP
A
110
55.347
−54.132
−72.663
1.00
53.88
MOL1
O


ATOM
853
C
ASP
A
110
55.505
−49.309
−72.719
1.00
37.40
MOL1
C


ATOM
854
O
ASP
A
110
54.789
−48.670
−73.481
1.00
35.95
MOL1
O


ATOM
855
N
ALA
A
111
56.776
−48.999
−72.501
1.00
35.91
MOL1
N


ATOM
856
CA
ALA
A
111
57.409
−47.863
−73.156
1.00
37.29
MOL1
C


ATOM
857
CB
ALA
A
111
57.185
−46.626
−72.359
1.00
27.90
MOL1
C


ATOM
858
C
ALA
A
111
58.897
−48.102
−73.294
1.00
43.95
MOL1
C


ATOM
859
O
ALA
A
111
59.549
−48.477
−72.325
1.00
46.55
MOL1
O


ATOM
860
N
ALA
A
112
59.434
−47.872
−74.491
1.00
45.93
MOL1
N


ATOM
861
CA
ALA
A
112
60.852
−48.060
−74.740
1.00
41.01
MOL1
C


ATOM
862
CB
ALA
A
112
61.090
−48.142
−76.198
1.00
50.24
MOL1
C


ATOM
863
C
ALA
A
112
61.679
−46.925
−74.141
1.00
42.59
MOL1
C


ATOM
864
O
ALA
A
112
61.250
−45.769
−74.093
1.00
39.12
MOL1
O


ATOM
865
N
PRO
A
113
62.887
−47.252
−73.665
1.00
42.21
MOL1
N


ATOM
866
CD
PRO
A
113
63.460
−48.608
−73.564
1.00
42.32
MOL1
C


ATOM
867
CA
PRO
A
113
63.777
−46.270
−73.061
1.00
37.05
MOL1
C


ATOM
868
CB
PRO
A
113
64.776
−47.138
−72.321
1.00
35.40
MOL1
C


ATOM
869
CG
PRO
A
113
64.892
−48.324
−73.215
1.00
34.46
MOL1
C


ATOM
870
C
PRO
A
113
64.416
−45.373
−74.089
1.00
41.43
MOL1
C


ATOM
871
O
PRO
A
113
64.492
−45.715
−75.271
1.00
43.93
MOL1
O


ATOM
872
N
THR
A
114
64.857
−44.211
−73.623
1.00
43.96
MOL1
N


ATOM
873
CA
THR
A
114
65.505
−43.217
−74.465
1.00
45.40
MOL1
C


ATOM
874
CB
THR
A
114
64.862
−41.858
−74.262
1.00
42.40
MOL1
C


ATOM
875
OG1
THR
A
114
63.582
−42.033
−73.645
1.00
50.43
MOL1
O


ATOM
876
CG2
THR
A
114
64.661
−41.177
−75.580
1.00
47.99
MOL1
C


ATOM
877
C
THR
A
114
66.933
−43.146
−73.980
1.00
45.69
MOL1
C


ATOM
878
O
THR
A
114
67.202
−42.525
−72.955
1.00
44.29
MOL1
O


ATOM
879
N
VAL
A
115
67.844
−43.772
−74.721
1.00
49.35
MOL1
N


ATOM
880
CA
VAL
A
115
69.248
−43.815
−74.327
1.00
50.65
MOL1
C


ATOM
881
CB
VAL
A
115
69.926
−45.069
−74.873
1.00
51.06
MOL1
C


ATOM
882
CG1
VAL
A
115
71.027
−45.497
−73.935
1.00
52.20
MOL1
C


ATOM
883
CG2
VAL
A
115
68.902
−46.183
−75.043
1.00
54.78
MOL1
C


ATOM
884
C
VAL
A
115
70.077
−42.608
−74.734
1.00
49.08
MOL1
C


ATOM
885
O
VAL
A
115
69.758
−41.904
−75.690
1.00
49.93
MOL1
O


ATOM
886
N
SER
A
116
71.154
−42.390
−73.992
1.00
48.80
MOL1
N


ATOM
887
CA
SER
A
116
72.047
−41.262
−74.216
1.00
49.64
MOL1
C


ATOM
888
CB
SER
A
116
71.497
−40.025
−73.494
1.00
52.26
MOL1
C


ATOM
889
OG
SER
A
116
70.077
−39.999
−73.500
1.00
44.31
MOL1
O


ATOM
890
C
SER
A
116
73.411
−41.610
−73.629
1.00
45.36
MOL1
C


ATOM
891
O
SER
A
116
73.510
−41.992
−72.468
1.00
42.62
MOL1
O


ATOM
892
N
ILE
A
117
74.467
−41.471
−74.413
1.00
43.99
MOL1
N


ATOM
893
CA
ILE
A
117
75.783
−41.802
−73.897
1.00
42.40
MOL1
C


ATOM
894
CB
ILE
A
117
76.410
−42.915
−74.736
1.00
34.43
MOL1
C


ATOM
895
CG2
ILE
A
117
76.462
−42.512
−76.169
1.00
27.33
MOL1
C


ATOM
896
CG1
ILE
A
117
77.796
−43.242
−74.217
1.00
37.61
MOL1
C


ATOM
897
CD1
ILE
A
117
78.356
−44.492
−74.811
1.00
37.38
MOL1
C


ATOM
898
C
ILE
A
117
76.676
−40.568
−73.854
1.00
44.59
MOL1
C


ATOM
899
O
ILE
A
117
76.660
−39.752
−74.765
1.00
46.70
MOL1
O


ATOM
900
N
PHE
A
118
77.448
−40.434
−72.783
1.00
45.25
MOL1
N


ATOM
901
CA
PHE
A
118
78.300
−39.276
−72.607
1.00
45.88
MOL1
C


ATOM
902
CB
PHE
A
118
77.759
−38.445
−71.452
1.00
48.35
MOL1
C


ATOM
903
CG
PHE
A
118
76.312
−38.114
−71.585
1.00
56.32
MOL1
C


ATOM
904
CD1
PHE
A
118
75.353
−39.105
−71.499
1.00
69.53
MOL1
C


ATOM
905
CD2
PHE
A
118
75.906
−36.830
−71.862
1.00
59.44
MOL1
C


ATOM
906
CE1
PHE
A
118
74.010
−38.823
−71.695
1.00
69.87
MOL1
C


ATOM
907
CE2
PHE
A
118
74.572
−36.541
−72.060
1.00
64.76
MOL1
C


ATOM
908
CZ
PHE
A
118
73.622
−37.541
−71.978
1.00
68.81
MOL1
C


ATOM
909
C
PHE
A
118
79.769
−39.596
−72.366
1.00
50.89
MOL1
C


ATOM
910
O
PHE
A
118
80.110
−40.393
−71.497
1.00
54.65
MOL1
O


ATOM
911
N
PRO
A
119
80.661
−38.962
−73.142
1.00
50.77
MOL1
N


ATOM
912
CD
PRO
A
119
80.315
−38.188
−74.337
1.00
52.45
MOL1
C


ATOM
913
CA
PRO
A
119
82.109
−39.134
−73.064
1.00
46.97
MOL1
C


ATOM
914
CB
PRO
A
119
82.614
−38.430
−74.310
1.00
47.01
MOL1
C


ATOM
915
CG
PRO
A
119
81.470
−38.517
−75.244
1.00
50.48
MOL1
C


ATOM
916
C
PRO
A
119
82.594
−38.465
−71.825
1.00
44.14
MOL1
C


ATOM
917
O
PRO
A
119
81.990
−37.524
−71.360
1.00
45.15
MOL1
O


ATOM
918
N
PRO
A
120
83.711
−38.935
−71.286
1.00
46.37
MOL1
N


ATOM
919
CD
PRO
A
120
84.547
−39.979
−71.887
1.00
35.74
MOL1
C


ATOM
920
CA
PRO
A
120
84.328
−38.406
−70.070
1.00
53.78
MOL1
C


ATOM
921
CB
PRO
A
120
85.638
−39.177
−70.002
1.00
43.37
MOL1
C


ATOM
922
CG
PRO
A
120
85.313
−40.442
−70.707
1.00
39.57
MOL1
C


ATOM
923
C
PRO
A
120
84.537
−36.883
−70.112
1.00
60.86
MOL1
C


ATOM
924
O
PRO
A
120
85.027
−36.331
−71.094
1.00
62.52
MOL1
O


ATOM
925
N
SER
A
121
84.160
−36.202
−69.041
1.00
64.67
MOL1
N


ATOM
926
CA
SER
A
121
84.322
−34.765
−69.001
1.00
66.66
MOL1
C


ATOM
927
CB
SER
A
121
83.800
−34.230
−67.683
1.00
70.09
MOL1
C


ATOM
928
OG
SER
A
121
84.417
−34.910
−66.611
1.00
64.61
MOL1
O


ATOM
929
C
SER
A
121
85.793
−34.443
−69.125
1.00
71.01
MOL1
C


ATOM
930
O
SER
A
121
86.617
−35.034
−68.435
1.00
71.34
MOL1
O


ATOM
931
N
SER
A
122
86.130
−33.507
−70.005
1.00
76.31
MOL1
N


ATOM
932
CA
SER
A
122
87.529
−33.127
−70.176
1.00
76.37
MOL1
C


ATOM
933
CB
SER
A
122
87.671
−31.970
−71.165
1.00
72.40
MOL1
C


ATOM
934
OG
SER
A
122
86.954
−30.833
−70.723
1.00
76.66
MOL1
O


ATOM
935
C
SER
A
122
88.069
−32.723
−68.814
1.00
77.11
MOL1
C


ATOM
936
O
SER
A
122
89.214
−33.012
−68.484
1.00
77.76
MOL1
O


ATOM
937
N
GLU
A
123
87.234
−32.063
−68.019
1.00
78.60
MOL1
N


ATOM
938
CA
GLU
A
123
87.647
−31.656
−66.684
1.00
81.77
MOL1
C


ATOM
939
CB
GLU
A
123
86.547
−30.857
−65.968
1.00
83.15
MOL1
C


ATOM
940
CG
GLU
A
123
85.145
−31.113
−66.475
1.00
90.86
MOL1
C


ATOM
941
CD
GLU
A
123
84.764
−30.199
−67.631
1.00
96.41
MOL1
C


ATOM
942
OE1
GLU
A
123
84.556
−28.990
−67.387
1.00
101.06
MOL1
O


ATOM
943
OE2
GLU
A
123
84.676
−30.682
−68.782
1.00
99.78
MOL1
O


ATOM
944
C
GLU
A
123
87.992
−32.890
−65.867
1.00
80.69
MOL1
C


ATOM
945
O
GLU
A
123
88.842
−32.835
−64.982
1.00
83.59
MOL1
O


ATOM
946
N
GLN
A
124
87.337
−34.005
−66.171
1.00
79.38
MOL1
N


ATOM
947
CA
GLN
A
124
87.586
−35.251
−65.456
1.00
78.06
MOL1
C


ATOM
948
CB
GLN
A
124
86.502
−36.281
−65.751
1.00
73.86
MOL1
C


ATOM
949
CG
GLN
A
124
86.739
−37.620
−65.071
1.00
59.63
MOL1
C


ATOM
950
CD
GLN
A
124
85.575
−38.587
−65.238
1.00
54.29
MOL1
C


ATOM
951
OE1
GLN
A
124
85.458
−39.551
−64.480
1.00
45.01
MOL1
O


ATOM
952
NE2
GLN
A
124
84.713
−38.338
−66.232
1.00
42.63
MOL1
N


ATOM
953
C
GLN
A
124
88.904
−35.853
−65.857
1.00
79.64
MOL1
C


ATOM
954
O
GLN
A
124
89.715
−36.222
−65.010
1.00
81.32
MOL1
O


ATOM
955
N
LEU
A
125
89.105
−35.971
−67.162
1.00
81.92
MOL1
N


ATOM
956
CA
LEU
A
125
90.333
−36.553
−67.675
1.00
84.75
MOL1
C


ATOM
957
CB
LEU
A
125
90.366
−36.466
−69.199
1.00
77.26
MOL1
C


ATOM
958
CG
LEU
A
125
89.469
−37.507
−69.872
1.00
69.34
MOL1
C


ATOM
959
CD1
LEU
A
125
89.519
−37.371
−71.373
1.00
68.70
MOL1
C


ATOM
960
CD2
LEU
A
125
89.937
−38.881
−69.476
1.00
67.26
MOL1
C


ATOM
961
C
LEU
A
125
91.567
−35.908
−67.059
1.00
89.76
MOL1
C


ATOM
962
O
LEU
A
125
92.572
−36.579
−66.826
1.00
91.29
MOL1
O


ATOM
963
N
THR
A
126
91.486
−34.614
−66.775
1.00
92.21
MOL1
N


ATOM
964
CA
THR
A
126
92.597
−33.914
−66.158
1.00
92.08
MOL1
C


ATOM
965
CB
THR
A
126
92.426
−32.407
−66.302
1.00
90.10
MOL1
C


ATOM
966
OG1
THR
A
126
92.220
−32.088
−67.685
1.00
89.96
MOL1
O


ATOM
967
CG2
THR
A
126
93.660
−31.685
−65.795
1.00
91.12
MOL1
C


ATOM
968
C
THR
A
126
92.631
−34.286
−64.679
1.00
94.73
MOL1
C


ATOM
969
O
THR
A
126
92.619
−33.422
−63.806
1.00
99.63
MOL1
O


ATOM
970
N
SER
A
127
92.656
−35.589
−64.414
1.00
95.33
MOL1
N


ATOM
971
CA
SER
A
127
92.688
−36.125
−63.057
1.00
96.51
MOL1
C


ATOM
972
CB
SER
A
127
91.344
−35.912
−62.351
1.00
94.61
MOL1
C


ATOM
973
OG
SER
A
127
91.190
−34.577
−61.908
1.00
95.83
MOL1
O


ATOM
974
C
SER
A
127
92.992
−37.617
−63.098
1.00
97.65
MOL1
C


ATOM
975
O
SER
A
127
92.757
−38.336
−62.125
1.00
97.78
MOL1
O


ATOM
976
N
GLY
A
128
93.497
−38.080
−64.237
1.00
97.27
MOL1
N


ATOM
977
CA
GLY
A
128
93.838
−39.485
−64.383
1.00
97.12
MOL1
C


ATOM
978
C
GLY
A
128
92.659
−40.439
−64.311
1.00
94.12
MOL1
C


ATOM
979
O
GLY
A
128
92.819
−41.646
−64.059
1.00
93.78
MOL1
O


ATOM
980
N
GLY
A
129
91.468
−39.902
−64.533
1.00
87.00
MOL1
N


ATOM
981
CA
GLY
A
129
90.285
−40.734
−64.495
1.00
78.41
MOL1
C


ATOM
982
C
GLY
A
129
89.327
−40.361
−65.599
1.00
69.02
MOL1
C


ATOM
983
O
GLY
A
129
89.384
−39.249
−66.119
1.00
70.34
MOL1
O


ATOM
984
N
ALA
A
130
88.448
−41.293
−65.954
1.00
60.37
MOL1
N


ATOM
985
CA
ALA
A
130
87.456
−41.070
−66.999
1.00
52.28
MOL1
C


ATOM
986
CB
ALA
A
130
88.084
−41.260
−68.331
1.00
46.85
MOL1
C


ATOM
987
C
ALA
A
130
86.258
−42.007
−66.853
1.00
48.05
MOL1
C


ATOM
988
O
ALA
A
130
86.424
−43.213
−66.694
1.00
41.74
MOL1
O


ATOM
989
N
SER
A
131
85.055
−41.441
−66.925
1.00
43.74
MOL1
N


ATOM
990
CA
SER
A
131
83.834
−42.207
−66.780
1.00
40.24
MOL1
C


ATOM
991
CB
SER
A
131
83.094
−41.778
−65.526
1.00
31.45
MOL1
C


ATOM
992
OG
SER
A
131
83.790
−42.166
−64.358
1.00
41.51
MOL1
O


ATOM
993
C
SER
A
131
82.922
−41.984
−67.950
1.00
43.06
MOL1
C


ATOM
994
O
SER
A
131
82.745
−40.851
−68.375
1.00
52.63
MOL1
O


ATOM
995
N
VAL
A
132
82.336
−43.063
−68.465
1.00
41.32
MOL1
N


ATOM
996
CA
VAL
A
132
81.400
−42.971
−69.573
1.00
37.90
MOL1
C


ATOM
997
CB
VAL
A
132
81.650
−44.038
−70.600
1.00
38.60
MOL1
C


ATOM
998
CG1
VAL
A
132
80.690
−43.865
−71.747
1.00
40.62
MOL1
C


ATOM
999
CG2
VAL
A
132
83.072
−43.969
−71.077
1.00
42.83
MOL1
C


ATOM
1000
C
VAL
A
132
80.015
−43.197
−69.012
1.00
35.03
MOL1
C


ATOM
1001
O
VAL
A
132
79.745
−44.242
−68.467
1.00
33.79
MOL1
O


ATOM
1002
N
VAL
A
133
79.140
−42.210
−69.143
1.00
40.22
MOL1
N


ATOM
1003
CA
VAL
A
133
77.797
−42.328
−68.610
1.00
39.25
MOL1
C


ATOM
1004
CB
VAL
A
133
77.416
−41.107
−67.774
1.00
31.40
MOL1
C


ATOM
1005
CG1
VAL
A
133
76.000
−41.233
−67.297
1.00
26.08
MOL1
C


ATOM
1006
CG2
VAL
A
133
78.331
−41.007
−66.577
1.00
35.57
MOL1
C


ATOM
1007
C
VAL
A
133
76.753
−42.526
−69.676
1.00
41.09
MOL1
C


ATOM
1008
O
VAL
A
133
76.788
−41.902
−70.722
1.00
40.39
MOL1
O


ATOM
1009
N
CYS
A
134
75.817
−43.417
−69.386
1.00
45.80
MOL1
N


ATOM
1010
CA
CYS
A
134
74.738
−43.733
−70.295
1.00
43.25
MOL1
C


ATOM
1011
C
CYS
A
134
73.434
−43.691
−69.513
1.00
44.02
MOL1
C


ATOM
1012
O
CYS
A
134
73.291
−44.369
−68.500
1.00
46.19
MOL1
O


ATOM
1013
CB
CYS
A
134
74.958
−45.124
−70.877
1.00
46.44
MOL1
C


ATOM
1014
SG
CYS
A
134
73.902
−45.560
−72.287
1.00
48.44
MOL1
S


ATOM
1015
N
PHE
A
135
72.498
−42.868
−69.979
1.00
43.05
MOL1
N


ATOM
1016
CA
PHE
A
135
71.191
−42.718
−69.349
1.00
35.78
MOL1
C


ATOM
1017
CB
PHE
A
135
70.779
−41.247
−69.295
1.00
23.02
MOL1
C


ATOM
1018
CG
PHE
A
135
71.596
−40.410
−68.344
1.00
28.31
MOL1
C


ATOM
1019
CD1
PHE
A
135
72.291
−39.297
−68.797
1.00
23.76
MOL1
C


ATOM
1020
CD2
PHE
A
135
71.654
−40.718
−66.987
1.00
30.91
MOL1
C


ATOM
1021
CE1
PHE
A
135
73.026
−38.503
−67.912
1.00
23.81
MOL1
C


ATOM
1022
CE2
PHE
A
135
72.390
−39.927
−66.095
1.00
22.88
MOL1
C


ATOM
1023
CZ
PHE
A
135
73.073
−38.822
−66.560
1.00
23.34
MOL1
C


ATOM
1024
C
PHE
A
135
70.140
−43.456
−70.146
1.00
37.06
MOL1
C


ATOM
1025
O
PHE
A
135
70.066
−43.308
−71.360
1.00
37.16
MOL1
O


ATOM
1026
N
LEU
A
136
69.336
−44.260
−69.462
1.00
39.36
MOL1
N


ATOM
1027
CA
LEU
A
136
68.239
−44.977
−70.100
1.00
42.77
MOL1
C


ATOM
1028
CB
LEU
A
136
68.362
−46.463
−69.849
1.00
43.75
MOL1
C


ATOM
1029
CG
LEU
A
136
69.589
−47.133
−70.444
1.00
45.83
MOL1
C


ATOM
1030
CD1
LEU
A
136
70.846
−46.535
−69.873
1.00
41.28
MOL1
C


ATOM
1031
CD2
LEU
A
136
69.511
−48.610
−70.142
1.00
45.54
MOL1
C


ATOM
1032
C
LEU
A
136
67.016
−44.426
−69.377
1.00
47.65
MOL1
C


ATOM
1033
O
LEU
A
136
66.652
−44.907
−68.307
1.00
52.16
MOL1
O


ATOM
1034
N
ASN
A
137
66.387
−43.410
−69.962
1.00
49.66
MOL1
N


ATOM
1035
CA
ASN
A
137
65.253
−42.744
−69.335
1.00
46.07
MOL1
C


ATOM
1036
CB
ASN
A
137
65.383
−41.248
−69.493
1.00
45.12
MOL1
C


ATOM
1037
CG
ASN
A
137
66.595
−40.712
−68.824
1.00
51.28
MOL1
C


ATOM
1038
OD1
ASN
A
137
66.810
−40.958
−67.644
1.00
50.62
MOL1
O


ATOM
1039
ND2
ASN
A
137
67.406
−39.961
−69.568
1.00
59.22
MOL1
N


ATOM
1040
C
ASN
A
137
63.858
−43.092
−69.770
1.00
48.96
MOL1
C


ATOM
1041
O
ASN
A
137
63.613
−43.436
−70.922
1.00
55.68
MOL1
O


ATOM
1042
N
ASN
A
138
62.949
−42.948
−68.811
1.00
49.39
MOL1
N


ATOM
1043
CA
ASN
A
138
61.517
−43.167
−68.967
1.00
45.92
MOL1
C


ATOM
1044
CB
ASN
A
138
60.885
−41.929
−69.616
1.00
50.81
MOL1
C


ATOM
1045
CG
ASN
A
138
61.317
−40.624
−68.940
1.00
59.24
MOL1
C


ATOM
1046
OD1
ASN
A
138
61.087
−40.422
−67.743
1.00
58.73
MOL1
O


ATOM
1047
ND2
ASN
A
138
61.952
−39.735
−69.711
1.00
65.58
MOL1
N


ATOM
1048
C
ASN
A
138
61.101
−44.406
−69.721
1.00
38.79
MOL1
C


ATOM
1049
O
ASN
A
138
60.709
−44.329
−70.884
1.00
47.05
MOL1
O


ATOM
1050
N
PHE
A
139
61.163
−45.550
−69.064
1.00
29.02
MOL1
N


ATOM
1051
CA
PHE
A
139
60.772
−46.773
−69.735
1.00
37.47
MOL1
C


ATOM
1052
CB
PHE
A
139
62.024
−47.555
−70.150
1.00
33.86
MOL1
C


ATOM
1053
CG
PHE
A
139
62.954
−47.876
−69.017
1.00
37.51
MOL1
C


ATOM
1054
CD1
PHE
A
139
62.819
−49.061
−68.301
1.00
32.17
MOL1
C


ATOM
1055
CD2
PHE
A
139
63.973
−46.996
−68.668
1.00
37.88
MOL1
C


ATOM
1056
CE1
PHE
A
139
63.678
−49.355
−67.267
1.00
32.92
MOL1
C


ATOM
1057
CE2
PHE
A
139
64.843
−47.288
−67.628
1.00
31.70
MOL1
C


ATOM
1058
CZ
PHE
A
139
64.693
−48.465
−66.932
1.00
35.11
MOL1
C


ATOM
1059
C
PHE
A
139
59.847
−47.623
−68.879
1.00
40.23
MOL1
C


ATOM
1060
O
PHE
A
139
59.618
−47.316
−67.713
1.00
45.12
MOL1
O


ATOM
1061
N
TYR
A
140
59.296
−48.680
−69.466
1.00
39.12
MOL1
N


ATOM
1062
CA
TYR
A
140
58.406
−49.571
−68.740
1.00
34.87
MOL1
C


ATOM
1063
CB
TYR
A
140
57.048
−48.911
−68.582
1.00
32.07
MOL1
C


ATOM
1064
CG
TYR
A
140
56.178
−49.612
−67.580
1.00
32.18
MOL1
C


ATOM
1065
CD1
TYR
A
140
56.275
−49.319
−66.238
1.00
29.24
MOL1
C


ATOM
1066
CE1
TYR
A
140
55.558
−50.017
−65.312
1.00
32.32
MOL1
C


ATOM
1067
CD2
TYR
A
140
55.326
−50.623
−67.964
1.00
28.25
MOL1
C


ATOM
1068
CE2
TYR
A
140
54.609
−51.325
−67.037
1.00
26.33
MOL1
C


ATOM
1069
CZ
TYR
A
140
54.732
−51.022
−65.719
1.00
25.07
MOL1
C


ATOM
1070
OH
TYR
A
140
54.060
−51.756
−64.783
1.00
36.48
MOL1
O


ATOM
1071
C
TYR
A
140
58.248
−50.879
−69.507
1.00
34.41
MOL1
C


ATOM
1072
O
TYR
A
140
58.082
−50.874
−70.722
1.00
42.98
MOL1
O


ATOM
1073
N
PRO
A
141
58.279
−52.017
−68.814
1.00
29.07
MOL1
N


ATOM
1074
CD
PRO
A
141
57.905
−53.293
−69.443
1.00
29.25
MOL1
C


ATOM
1075
CA
PRO
A
141
58.450
−52.164
−67.372
1.00
34.44
MOL1
C


ATOM
1076
CB
PRO
A
141
58.049
−53.616
−67.119
1.00
38.89
MOL1
C


ATOM
1077
CG
PRO
A
141
58.319
−54.293
−68.420
1.00
30.33
MOL1
C


ATOM
1078
C
PRO
A
141
59.856
−51.847
−66.909
1.00
40.54
MOL1
C


ATOM
1079
O
PRO
A
141
60.685
−51.408
−67.704
1.00
43.11
MOL1
O


ATOM
1080
N
LYS
A
142
60.130
−52.076
−65.626
1.00
44.63
MOL1
N


ATOM
1081
CA
LYS
A
142
61.445
−51.758
−65.077
1.00
48.29
MOL1
C


ATOM
1082
CB
LYS
A
142
61.361
−51.566
−63.557
1.00
49.32
MOL1
C


ATOM
1083
CG
LYS
A
142
60.855
−52.783
−62.805
1.00
65.69
MOL1
C


ATOM
1084
CD
LYS
A
142
60.636
−52.527
−61.309
1.00
65.89
MOL1
C


ATOM
1085
CE
LYS
A
142
60.122
−53.799
−60.621
1.00
70.08
MOL1
C


ATOM
1086
NZ
LYS
A
142
59.673
−53.597
−59.215
1.00
70.23
MOL1
N


ATOM
1087
C
LYS
A
142
62.532
−52.758
−65.417
1.00
48.98
MOL1
C


ATOM
1088
O
LYS
A
142
63.711
−52.414
−65.400
1.00
49.13
MOL1
O


ATOM
1089
N
ASP
A
143
62.146
−53.991
−65.722
1.00
49.38
MOL1
N


ATOM
1090
CA
ASP
A
143
63.121
−55.004
−66.072
1.00
51.81
MOL1
C


ATOM
1091
CB
ASP
A
143
62.405
−56.349
−66.242
1.00
59.75
MOL1
C


ATOM
1092
CG
ASP
A
143
63.287
−57.415
−66.886
1.00
72.97
MOL1
C


ATOM
1093
OD1
ASP
A
143
63.166
−57.631
−68.120
1.00
77.86
MOL1
O


ATOM
1094
OD2
ASP
A
143
64.103
−58.033
−66.160
1.00
77.34
MOL1
O


ATOM
1095
C
ASP
A
143
63.815
−54.575
−67.358
1.00
47.42
MOL1
C


ATOM
1096
O
ASP
A
143
63.174
−54.496
−68.406
1.00
53.81
MOL1
O


ATOM
1097
N
ILE
A
144
65.109
−54.274
−67.280
1.00
41.26
MOL1
N


ATOM
1098
CA
ILE
A
144
65.866
−53.860
−68.458
1.00
38.16
MOL1
C


ATOM
1099
CB
ILE
A
144
65.852
−52.337
−68.629
1.00
30.07
MOL1
C


ATOM
1100
CG2
ILE
A
144
66.828
−51.680
−67.685
1.00
20.04
MOL1
C


ATOM
1101
CG1
ILE
A
144
66.262
−51.973
−70.045
1.00
30.24
MOL1
C


ATOM
1102
CD1
ILE
A
144
66.502
−50.492
−70.220
1.00
31.80
MOL1
C


ATOM
1103
C
ILE
A
144
67.289
−54.332
−68.292
1.00
46.52
MOL1
C


ATOM
1104
O
ILE
A
144
67.712
−54.630
−67.178
1.00
60.07
MOL1
O


ATOM
1105
N
ASN
A
145
68.040
−54.386
−69.383
1.00
49.45
MOL1
N


ATOM
1106
CA
ASN
A
145
69.409
−54.870
−69.312
1.00
52.69
MOL1
C


ATOM
1107
CB
ASN
A
145
69.427
−56.322
−69.798
1.00
60.84
MOL1
C


ATOM
1108
CG
ASN
A
145
70.821
−56.857
−69.996
1.00
70.72
MOL1
C


ATOM
1109
OD1
ASN
A
145
71.513
−57.186
−69.028
1.00
81.80
MOL1
O


ATOM
1110
ND2
ASN
A
145
71.252
−56.945
−71.255
1.00
68.81
MOL1
N


ATOM
1111
C
ASN
A
145
70.379
−54.037
−70.131
1.00
46.40
MOL1
C


ATOM
1112
O
ASN
A
145
70.174
−53.853
−71.309
1.00
50.05
MOL1
O


ATOM
1113
N
VAL
A
146
71.440
−53.549
−69.501
1.00
45.51
MOL1
N


ATOM
1114
CA
VAL
A
146
72.448
−52.755
−70.183
1.00
40.80
MOL1
C


ATOM
1115
CB
VAL
A
146
72.802
−51.540
−69.377
1.00
33.02
MOL1
C


ATOM
1116
CG1
VAL
A
146
73.935
−50.820
−70.011
1.00
39.18
MOL1
C


ATOM
1117
CG2
VAL
A
146
71.634
−50.644
−69.307
1.00
37.76
MOL1
C


ATOM
1118
C
VAL
A
146
73.728
−53.539
−70.413
1.00
45.59
MOL1
C


ATOM
1119
O
VAL
A
146
74.178
−54.270
−69.537
1.00
53.43
MOL1
O


ATOM
1120
N
LYS
A
147
74.312
−53.381
−71.595
1.00
45.17
MOL1
N


ATOM
1121
CA
LYS
A
147
75.546
−54.062
−71.934
1.00
41.57
MOL1
C


ATOM
1122
CB
LYS
A
147
75.288
−55.121
−73.003
1.00
35.13
MOL1
C


ATOM
1123
CG
LYS
A
147
76.499
−55.994
−73.323
1.00
48.78
MOL1
C


ATOM
1124
CD
LYS
A
147
76.275
−56.963
−74.494
1.00
56.43
MOL1
C


ATOM
1125
CE
LYS
A
147
75.326
−58.104
−74.130
1.00
63.35
MOL1
C


ATOM
1126
NZ
LYS
A
147
74.942
−58.897
−75.338
1.00
68.95
MOL1
N


ATOM
1127
C
LYS
A
147
76.536
−53.032
−72.447
1.00
42.36
MOL1
C


ATOM
1128
O
LYS
A
147
76.182
−52.211
−73.278
1.00
49.48
MOL1
O


ATOM
1129
N
TRP
A
148
77.764
−53.046
−71.925
1.00
43.56
MOL1
N


ATOM
1130
CA
TRP
A
148
78.794
−52.119
−72.386
1.00
36.05
MOL1
C


ATOM
1131
CB
TRP
A
148
79.568
−51.540
−71.235
1.00
19.03
MOL1
C


ATOM
1132
CG
TRP
A
148
78.816
−50.550
−70.479
1.00
23.02
MOL1
C


ATOM
1133
CD2
TRP
A
148
78.824
−49.142
−70.685
1.00
19.65
MOL1
C


ATOM
1134
CE2
TRP
A
148
77.996
−48.575
−69.713
1.00
17.44
MOL1
C


ATOM
1135
CE3
TRP
A
148
79.457
−48.307
−71.596
1.00
23.18
MOL1
C


ATOM
1136
CD1
TRP
A
148
78.002
−50.779
−69.421
1.00
26.45
MOL1
C


ATOM
1137
NE1
TRP
A
148
77.503
−49.595
−68.946
1.00
19.46
MOL1
N


ATOM
1138
CZ2
TRP
A
148
77.784
−47.217
−69.627
1.00
20.36
MOL1
C


ATOM
1139
CZ3
TRP
A
148
79.246
−46.958
−71.510
1.00
23.54
MOL1
C


ATOM
1140
CH2
TRP
A
148
78.418
−46.424
−70.536
1.00
28.60
MOL1
C


ATOM
1141
C
TRP
A
148
79.769
−52.794
−73.326
1.00
33.56
MOL1
C


ATOM
1142
O
TRP
A
148
80.045
−53.971
−73.202
1.00
37.20
MOL1
O


ATOM
1143
N
LYS
A
149
80.295
−52.042
−74.274
1.00
36.11
MOL1
N


ATOM
1144
CA
LYS
A
149
81.232
−52.608
−75.215
1.00
39.83
MOL1
C


ATOM
1145
CB
LYS
A
149
80.489
−53.080
−76.462
1.00
26.76
MOL1
C


ATOM
1146
CG
LYS
A
149
79.504
−54.190
−76.223
1.00
21.05
MOL1
C


ATOM
1147
CD
LYS
A
149
79.086
−54.833
−77.556
1.00
31.10
MOL1
C


ATOM
1148
CE
LYS
A
149
78.071
−55.977
−77.358
1.00
37.33
MOL1
C


ATOM
1149
NZ
LYS
A
149
77.637
−56.634
−78.636
1.00
42.65
MOL1
N


ATOM
1150
C
LYS
A
149
82.358
−51.669
−75.624
1.00
47.29
MOL1
C


ATOM
1151
O
LYS
A
149
82.118
−50.633
−76.245
1.00
55.61
MOL1
O


ATOM
1152
N
ILE
A
150
83.590
−52.028
−75.278
1.00
49.76
MOL1
N


ATOM
1153
CA
ILE
A
150
84.721
−51.210
−75.683
1.00
52.87
MOL1
C


ATOM
1154
CB
ILE
A
150
85.764
−51.046
−74.605
1.00
45.48
MOL1
C


ATOM
1155
CG2
ILE
A
150
86.757
−50.004
−75.057
1.00
38.52
MOL1
C


ATOM
1156
CG1
ILE
A
150
85.114
−50.591
−73.302
1.00
43.30
MOL1
C


ATOM
1157
CD1
ILE
A
150
86.118
−50.230
−72.233
1.00
45.01
MOL1
C


ATOM
1158
C
ILE
A
150
85.389
−51.861
−76.873
1.00
56.06
MOL1
C


ATOM
1159
O
ILE
A
150
85.836
−52.997
−76.810
1.00
61.44
MOL1
O


ATOM
1160
N
ASP
A
151
85.444
−51.132
−77.971
1.00
59.45
MOL1
N


ATOM
1161
CA
ASP
A
151
86.049
−51.648
−79.183
1.00
57.43
MOL1
C


ATOM
1162
CB
ASP
A
151
87.559
−51.826
−79.013
1.00
55.63
MOL1
C


ATOM
1163
CG
ASP
A
151
88.340
−50.527
−79.172
1.00
55.29
MOL1
C


ATOM
1164
OD1
ASP
A
151
87.733
−49.459
−79.419
1.00
54.09
MOL1
O


ATOM
1165
OD2
ASP
A
151
89.582
−50.588
−79.050
1.00
55.18
MOL1
O


ATOM
1166
C
ASP
A
151
85.441
−52.975
−79.593
1.00
52.93
MOL1
C


ATOM
1167
O
ASP
A
151
86.107
−53.801
−80.190
1.00
56.66
MOL1
O


ATOM
1168
N
GLY
A
152
84.183
−53.193
−79.252
1.00
52.23
MOL1
N


ATOM
1169
CA
GLY
A
152
83.534
−54.413
−79.674
1.00
56.75
MOL1
C


ATOM
1170
C
GLY
A
152
83.393
−55.515
−78.664
1.00
59.09
MOL1
C


ATOM
1171
O
GLY
A
152
82.607
−56.431
−78.866
1.00
67.69
MOL1
O


ATOM
1172
N
SER
A
153
84.137
−55.438
−77.574
1.00
58.80
MOL1
N


ATOM
1173
CA
SER
A
153
84.077
−56.481
−76.561
1.00
52.16
MOL1
C


ATOM
1174
CB
SER
A
153
85.490
−56.860
−76.129
1.00
50.58
MOL1
C


ATOM
1175
OG
SER
A
153
86.242
−57.306
−77.239
1.00
53.22
MOL1
O


ATOM
1176
C
SER
A
153
83.280
−56.051
−75.353
1.00
46.06
MOL1
C


ATOM
1177
O
SER
A
153
83.348
−54.899
−74.956
1.00
40.77
MOL1
O


ATOM
1178
N
GLU
A
154
82.547
−56.991
−74.764
1.00
42.48
MOL1
N


ATOM
1179
CA
GLU
A
154
81.719
−56.722
−73.596
1.00
37.93
MOL1
C


ATOM
1180
CB
GLU
A
154
80.770
−57.871
−73.372
1.00
42.48
MOL1
C


ATOM
1181
CG
GLU
A
154
79.710
−57.630
−72.329
1.00
56.00
MOL1
C


ATOM
1182
CD
GLU
A
154
78.833
−58.858
−72.137
1.00
68.87
MOL1
C


ATOM
1183
OE1
GLU
A
154
78.314
−59.374
−73.160
1.00
73.99
MOL1
O


ATOM
1184
OE2
GLU
A
154
78.670
−59.307
−70.975
1.00
72.26
MOL1
O


ATOM
1185
C
GLU
A
154
82.513
−56.492
−72.341
1.00
36.65
MOL1
C


ATOM
1186
O
GLU
A
154
83.396
−57.253
−72.001
1.00
40.37
MOL1
O


ATOM
1187
N
ARG
A
155
82.169
−55.432
−71.637
1.00
43.14
MOL1
N


ATOM
1188
CA
ARG
A
155
82.845
−55.045
−70.407
1.00
51.06
MOL1
C


ATOM
1189
CB
ARG
A
155
83.349
−53.614
−70.570
1.00
46.94
MOL1
C


ATOM
1190
CG
ARG
A
155
84.389
−53.150
−69.581
1.00
57.47
MOL1
C


ATOM
1191
CD
ARG
A
155
85.765
−53.690
−69.926
1.00
64.96
MOL1
C


ATOM
1192
NE
ARG
A
155
86.819
−52.963
−69.222
1.00
71.72
MOL1
N


ATOM
1193
CZ
ARG
A
155
86.825
−52.725
−67.913
1.00
69.39
MOL1
C


ATOM
1194
NH1
ARG
A
155
85.831
−53.150
−67.151
1.00
71.63
MOL1
N


ATOM
1195
NH2
ARG
A
155
87.837
−52.072
−67.365
1.00
66.54
MOL1
N


ATOM
1196
C
ARG
A
155
81.840
−55.110
−69.253
1.00
53.67
MOL1
C


ATOM
1197
O
ARG
A
155
80.711
−54.638
−69.390
1.00
55.24
MOL1
O


ATOM
1198
N
GLN
A
156
82.231
−55.696
−68.124
1.00
55.04
MOL1
N


ATOM
1199
CA
GLN
A
156
81.323
−55.783
−66.986
1.00
58.54
MOL1
C


ATOM
1200
CB
GLN
A
156
81.004
−57.229
−66.615
1.00
61.59
MOL1
C


ATOM
1201
CG
GLN
A
156
80.438
−58.075
−67.737
1.00
79.88
MOL1
C


ATOM
1202
CD
GLN
A
156
79.966
−59.440
−67.262
1.00
87.41
MOL1
C


ATOM
1203
OE1
GLN
A
156
80.640
−60.102
−66.468
1.00
93.29
MOL1
O


ATOM
1204
NE2
GLN
A
156
78.805
−59.873
−67.755
1.00
89.51
MOL1
N


ATOM
1205
C
GLN
A
156
81.928
−55.130
−65.778
1.00
59.64
MOL1
C


ATOM
1206
O
GLN
A
156
81.261
−54.408
−65.058
1.00
65.86
MOL1
O


ATOM
1207
N
ASN
A
157
83.199
−55.395
−65.546
1.00
63.25
MOL1
N


ATOM
1208
CA
ASN
A
157
83.864
−54.823
−64.394
1.00
71.10
MOL1
C


ATOM
1209
CB
ASN
A
157
85.283
−55.394
−64.247
1.00
86.83
MOL1
C


ATOM
1210
CG
ASN
A
157
85.302
−56.760
−63.568
1.00
98.45
MOL1
C


ATOM
1211
OD1
ASN
A
157
84.663
−57.717
−64.031
1.00
103.27
MOL1
O


ATOM
1212
ND2
ASN
A
157
86.042
−56.857
−62.463
1.00
102.54
MOL1
N


ATOM
1213
C
ASN
A
157
83.936
−53.316
−64.490
1.00
65.06
MOL1
C


ATOM
1214
O
ASN
A
157
84.121
−52.756
−65.555
1.00
58.63
MOL1
O


ATOM
1215
N
GLY
A
158
83.781
−52.661
−63.355
1.00
66.40
MOL1
N


ATOM
1216
CA
GLY
A
158
83.860
−51.222
−63.340
1.00
65.80
MOL1
C


ATOM
1217
C
GLY
A
158
82.582
−50.549
−63.763
1.00
60.11
MOL1
C


ATOM
1218
O
GLY
A
158
82.597
−49.387
−64.163
1.00
66.36
MOL1
O


ATOM
1219
N
VAL
A
159
81.470
−51.268
−63.691
1.00
52.44
MOL1
N


ATOM
1220
CA
VAL
A
159
80.195
−50.670
−64.060
1.00
41.97
MOL1
C


ATOM
1221
CB
VAL
A
159
79.426
−51.493
−65.090
1.00
27.90
MOL1
C


ATOM
1222
CG1
VAL
A
159
78.090
−50.867
−65.301
1.00
28.67
MOL1
C


ATOM
1223
CG2
VAL
A
159
80.148
−51.523
−66.408
1.00
15.19
MOL1
C


ATOM
1224
C
VAL
A
159
79.286
−50.500
−62.862
1.00
42.76
MOL1
C


ATOM
1225
O
VAL
A
159
79.097
−51.424
−62.075
1.00
48.52
MOL1
O


ATOM
1226
N
LEU
A
160
78.725
−49.307
−62.730
1.00
42.26
MOL1
N


ATOM
1227
CA
LEU
A
160
77.820
−48.994
−61.632
1.00
45.51
MOL1
C


ATOM
1228
CB
LEU
A
160
78.399
−47.914
−60.728
1.00
40.24
MOL1
C


ATOM
1229
CG
LEU
A
160
79.395
−48.483
−59.731
1.00
46.31
MOL1
C


ATOM
1230
CD1
LEU
A
160
79.255
−47.725
−58.429
1.00
43.90
MOL1
C


ATOM
1231
CD2
LEU
A
160
79.122
−49.969
−59.515
1.00
38.91
MOL1
C


ATOM
1232
C
LEU
A
160
76.470
−48.517
−62.121
1.00
46.77
MOL1
C


ATOM
1233
O
LEU
A
160
76.371
−47.542
−62.854
1.00
45.73
MOL1
O


ATOM
1234
N
ASN
A
161
75.421
−49.198
−61.684
1.00
48.44
MOL1
N


ATOM
1235
CA
ASN
A
161
74.076
−48.846
−62.090
1.00
41.68
MOL1
C


ATOM
1236
CB
ASN
A
161
73.372
−50.060
−62.683
1.00
31.00
MOL1
C


ATOM
1237
CG
ASN
A
161
74.031
−50.548
−63.939
1.00
33.80
MOL1
C


ATOM
1238
OD1
ASN
A
161
74.470
−49.752
−64.760
1.00
44.82
MOL1
O


ATOM
1239
ND2
ASN
A
161
74.098
−51.859
−64.109
1.00
31.39
MOL1
N


ATOM
1240
C
ASN
A
161
73.239
−48.328
−60.953
1.00
40.97
MOL1
C


ATOM
1241
O
ASN
A
161
73.439
−48.691
−59.800
1.00
48.68
MOL1
O


ATOM
1242
N
SER
A
162
72.284
−47.483
−61.299
1.00
42.52
MOL1
N


ATOM
1243
CA
SER
A
162
71.360
−46.920
−60.335
1.00
47.61
MOL1
C


ATOM
1244
CB
SER
A
162
71.866
−45.590
−59.816
1.00
44.97
MOL1
C


ATOM
1245
OG
SER
A
162
70.996
−45.115
−58.808
1.00
56.75
MOL1
O


ATOM
1246
C
SER
A
162
70.011
−46.692
−60.991
1.00
51.05
MOL1
C


ATOM
1247
O
SER
A
162
69.925
−45.990
−61.995
1.00
52.94
MOL1
O


ATOM
1248
N
TRP
A
163
68.958
−47.279
−60.426
1.00
53.80
MOL1
N


ATOM
1249
CA
TRP
A
163
67.607
−47.112
−60.970
1.00
56.76
MOL1
C


ATOM
1250
CB
TRP
A
163
66.916
−48.468
−61.105
1.00
56.83
MOL1
C


ATOM
1251
CG
TRP
A
163
67.638
−49.460
−61.963
1.00
71.33
MOL1
C


ATOM
1252
CD2
TRP
A
163
68.714
−50.316
−61.561
1.00
75.62
MOL1
C


ATOM
1253
CE2
TRP
A
163
69.028
−51.141
−62.663
1.00
74.63
MOL1
C


ATOM
1254
CE3
TRP
A
163
69.438
−50.468
−60.375
1.00
82.34
MOL1
C


ATOM
1255
CD1
TRP
A
163
67.359
−49.785
−63.259
1.00
73.47
MOL1
C


ATOM
1256
NE1
TRP
A
163
68.188
−50.798
−63.687
1.00
71.93
MOL1
N


ATOM
1257
CZ2
TRP
A
163
70.031
−52.104
−62.614
1.00
85.23
MOL1
C


ATOM
1258
CZ3
TRP
A
163
70.439
−51.430
−60.326
1.00
90.96
MOL1
C


ATOM
1259
CH2
TRP
A
163
70.725
−52.236
−61.440
1.00
91.71
MOL1
C


ATOM
1260
C
TRP
A
163
66.737
−46.208
−60.085
1.00
55.98
MOL1
C


ATOM
1261
O
TRP
A
163
66.921
−46.138
−58.873
1.00
59.76
MOL1
O


ATOM
1262
N
THR
A
164
65.780
−45.518
−60.689
1.00
55.09
MOL1
N


ATOM
1263
CA
THR
A
164
64.887
−44.652
−59.925
1.00
54.84
MOL1
C


ATOM
1264
CB
THR
A
164
64.590
−43.356
−60.667
1.00
52.35
MOL1
C


ATOM
1265
OG1
THR
A
164
63.390
−43.517
−61.435
1.00
50.16
MOL1
O


ATOM
1266
CG2
THR
A
164
65.724
−43.016
−61.605
1.00
46.71
MOL1
C


ATOM
1267
C
THR
A
164
63.543
−45.353
−59.692
1.00
59.43
MOL1
C


ATOM
1268
O
THR
A
164
63.308
−46.466
−60.169
1.00
58.45
MOL1
O


ATOM
1269
N
ASP
A
165
62.653
−44.688
−58.970
1.00
62.09
MOL1
N


ATOM
1270
CA
ASP
A
165
61.343
−45.251
−58.674
1.00
66.67
MOL1
C


ATOM
1271
CB
ASP
A
165
60.917
−44.820
−57.280
1.00
80.07
MOL1
C


ATOM
1272
CG
ASP
A
165
62.003
−45.043
−56.252
1.00
92.52
MOL1
C


ATOM
1273
OD1
ASP
A
165
62.051
−46.153
−55.671
1.00
95.82
MOL1
O


ATOM
1274
OD2
ASP
A
165
62.817
−44.109
−56.044
1.00
99.11
MOL1
O


ATOM
1275
C
ASP
A
165
60.324
−44.762
−59.688
1.00
63.72
MOL1
C


ATOM
1276
O
ASP
A
165
60.561
−43.785
−60.393
1.00
66.68
MOL1
O


ATOM
1277
N
GLN
A
166
59.182
−45.425
−59.754
1.00
56.44
MOL1
N


ATOM
1278
CA
GLN
A
166
58.178
−45.033
−60.713
1.00
58.67
MOL1
C


ATOM
1279
CB
GLN
A
166
56.908
−45.819
−60.432
1.00
59.19
MOL1
C


ATOM
1280
CG
GLN
A
166
56.084
−46.112
−61.663
1.00
58.86
MOL1
C


ATOM
1281
CD
GLN
A
166
55.394
−47.459
−61.581
1.00
64.40
MOL1
C


ATOM
1282
OE1
GLN
A
166
55.010
−47.911
−60.499
1.00
64.45
MOL1
O


ATOM
1283
NE2
GLN
A
166
55.223
−48.104
−62.726
1.00
66.99
MOL1
N


ATOM
1284
C
GLN
A
166
57.950
−43.520
−60.653
1.00
62.82
MOL1
C


ATOM
1285
O
GLN
A
166
57.456
−42.996
−59.658
1.00
68.37
MOL1
O


ATOM
1286
N
ASP
A
167
58.342
−42.816
−61.714
1.00
65.41
MOL1
N


ATOM
1287
CA
ASP
A
167
58.188
−41.364
−61.760
1.00
66.30
MOL1
C


ATOM
1288
CB
ASP
A
167
58.740
−40.756
−63.042
1.00
70.81
MOL1
C


ATOM
1289
CG
ASP
A
167
58.354
−39.276
−63.197
1.00
72.23
MOL1
C


ATOM
1290
OD1
ASP
A
167
58.940
−38.401
−62.506
1.00
73.65
MOL1
O


ATOM
1291
OD2
ASP
A
167
57.451
−38.994
−64.012
1.00
68.65
MOL1
O


ATOM
1292
C
ASP
A
167
56.749
−40.953
−61.658
1.00
65.57
MOL1
C


ATOM
1293
O
ASP
A
167
55.985
−41.154
−62.588
1.00
64.53
MOL1
O


ATOM
1294
N
SER
A
168
56.411
−40.346
−60.523
1.00
73.23
MOL1
N


ATOM
1295
CA
SER
A
168
55.066
−39.872
−60.208
1.00
74.94
MOL1
C


ATOM
1296
CB
SER
A
168
55.128
−38.780
−59.149
1.00
71.48
MOL1
C


ATOM
1297
OG
SER
A
168
55.701
−37.605
−59.694
1.00
75.17
MOL1
O


ATOM
1298
C
SER
A
168
54.254
−39.353
−61.387
1.00
79.14
MOL1
C


ATOM
1299
O
SER
A
168
53.053
−39.603
−61.455
1.00
84.23
MOL1
O


ATOM
1300
N
LYS
A
169
54.880
−38.629
−62.311
1.00
80.12
MOL1
N


ATOM
1301
CA
LYS
A
169
54.130
−38.123
−63.455
1.00
80.42
MOL1
C


ATOM
1302
CB
LYS
A
169
54.921
−37.044
−64.185
1.00
84.94
MOL1
C


ATOM
1303
CG
LYS
A
169
55.039
−35.736
−63.406
1.00
94.72
MOL1
C


ATOM
1304
CD
LYS
A
169
53.685
−35.073
−63.163
1.00
98.23
MOL1
C


ATOM
1305
CE
LYS
A
169
53.842
−33.610
−62.697
1.00
102.08
MOL1
C


ATOM
1306
NZ
LYS
A
169
54.350
−32.673
−63.761
1.00
97.72
MOL1
N


ATOM
1307
C
LYS
A
169
53.656
−39.208
−64.441
1.00
80.54
MOL1
C


ATOM
1308
O
LYS
A
169
52.453
−39.429
−64.560
1.00
83.84
MOL1
O


ATOM
1309
N
ASP
A
170
54.568
−39.900
−65.126
1.00
72.17
MOL1
N


ATOM
1310
CA
ASP
A
170
54.145
−40.923
−66.077
1.00
61.39
MOL1
C


ATOM
1311
CB
ASP
A
170
54.832
−40.683
−67.401
1.00
59.48
MOL1
C


ATOM
1312
CG
ASP
A
170
56.303
−40.674
−67.257
1.00
59.53
MOL1
C


ATOM
1313
OD1
ASP
A
170
57.002
−40.408
−68.264
1.00
63.71
MOL1
O


ATOM
1314
OD2
ASP
A
170
56.740
−40.942
−66.114
1.00
48.77
MOL1
O


ATOM
1315
C
ASP
A
170
54.357
−42.372
−65.631
1.00
56.39
MOL1
C


ATOM
1316
O
ASP
A
170
54.340
−43.301
−66.436
1.00
56.20
MOL1
O


ATOM
1317
N
SER
A
171
54.542
−42.567
−64.340
1.00
52.36
MOL1
N


ATOM
1318
CA
SER
A
171
54.718
−43.905
−63.795
1.00
54.88
MOL1
C


ATOM
1319
CB
SER
A
171
53.345
−44.582
−63.697
1.00
48.11
MOL1
C


ATOM
1320
OG
SER
A
171
52.491
−43.858
−62.823
1.00
43.01
MOL1
O


ATOM
1321
C
SER
A
171
55.730
−44.828
−64.510
1.00
55.50
MOL1
C


ATOM
1322
O
SER
A
171
55.613
−46.054
−64.443
1.00
51.45
MOL1
O


ATOM
1323
N
THR
A
172
56.728
−44.230
−65.163
1.00
55.06
MOL1
N


ATOM
1324
CA
THR
A
172
57.784
−44.968
−65.872
1.00
55.45
MOL1
C


ATOM
1325
CB
THR
A
172
58.251
−44.191
−67.076
1.00
55.67
MOL1
C


ATOM
1326
OG1
THR
A
172
58.701
−42.897
−66.648
1.00
59.46
MOL1
O


ATOM
1327
CG2
THR
A
172
57.131
−44.038
−68.061
1.00
58.93
MOL1
C


ATOM
1328
C
THR
A
172
59.015
−45.158
−64.982
1.00
55.74
MOL1
C


ATOM
1329
O
THR
A
172
58.996
−44.796
−63.817
1.00
63.90
MOL1
O


ATOM
1330
N
TYR
A
173
60.085
−45.727
−65.526
1.00
52.56
MOL1
N


ATOM
1331
CA
TYR
A
173
61.307
−45.895
−64.750
1.00
50.26
MOL1
C


ATOM
1332
CB
TYR
A
173
61.607
−47.367
−64.509
1.00
43.79
MOL1
C


ATOM
1333
CG
TYR
A
173
60.621
−48.061
−63.605
1.00
43.50
MOL1
C


ATOM
1334
CD1
TYR
A
173
59.493
−48.681
−64.113
1.00
44.80
MOL1
C


ATOM
1335
CE1
TYR
A
173
58.604
−49.346
−63.278
1.00
45.59
MOL1
C


ATOM
1336
CD2
TYR
A
173
60.831
−48.117
−62.239
1.00
44.97
MOL1
C


ATOM
1337
CE2
TYR
A
173
59.945
−48.774
−61.400
1.00
43.62
MOL1
C


ATOM
1338
CZ
TYR
A
173
58.842
−49.384
−61.923
1.00
44.26
MOL1
C


ATOM
1339
OH
TYR
A
173
57.978
−50.036
−61.082
1.00
51.59
MOL1
O


ATOM
1340
C
TYR
A
173
62.475
−45.251
−65.486
1.00
55.17
MOL1
C


ATOM
1341
O
TYR
A
173
62.322
−44.788
−66.618
1.00
62.28
MOL1
O


ATOM
1342
N
SER
A
174
63.636
−45.210
−64.841
1.00
53.72
MOL1
N


ATOM
1343
CA
SER
A
174
64.832
−44.632
−65.449
1.00
51.71
MOL1
C


ATOM
1344
CB
SER
A
174
64.833
−43.108
−65.304
1.00
50.48
MOL1
C


ATOM
1345
OG
SER
A
174
63.860
−42.498
−66.147
1.00
44.82
MOL1
O


ATOM
1346
C
SER
A
174
66.065
−45.223
−64.793
1.00
52.24
MOL1
C


ATOM
1347
O
SER
A
174
66.041
−45.570
−63.617
1.00
58.50
MOL1
O


ATOM
1348
N
MET
A
175
67.143
−45.338
−65.553
1.00
49.18
MOL1
N


ATOM
1349
CA
MET
A
175
68.363
−45.922
−65.031
1.00
47.47
MOL1
C


ATOM
1350
CB
MET
A
175
68.417
−47.380
−65.443
1.00
40.24
MOL1
C


ATOM
1351
CG
MET
A
175
69.757
−48.007
−65.277
1.00
42.37
MOL1
C


ATOM
1352
SD
MET
A
175
69.821
−49.506
−66.218
1.00
45.65
MOL1
S


ATOM
1353
CE
MET
A
175
70.994
−50.394
−65.304
1.00
40.57
MOL1
C


ATOM
1354
C
MET
A
175
69.605
−45.206
−65.533
1.00
50.44
MOL1
C


ATOM
1355
O
MET
A
175
69.617
−44.676
−66.647
1.00
55.74
MOL1
O


ATOM
1356
N
SER
A
176
70.655
−45.210
−64.718
1.00
46.12
MOL1
N


ATOM
1357
CA
SER
A
176
71.892
−44.558
−65.091
1.00
41.27
MOL1
C


ATOM
1358
CB
SER
A
176
72.061
−43.303
−64.266
1.00
29.85
MOL1
C


ATOM
1359
OG
SER
A
176
73.372
−42.821
−64.386
1.00
43.09
MOL1
O


ATOM
1360
C
SER
A
176
73.106
−45.456
−64.923
1.00
45.18
MOL1
C


ATOM
1361
O
SER
A
176
73.592
−45.658
−63.812
1.00
54.11
MOL1
O


ATOM
1362
N
SER
A
177
73.598
−45.985
−66.041
1.00
46.03
MOL1
N


ATOM
1363
CA
SER
A
177
74.766
−46.859
−66.051
1.00
44.00
MOL1
C


ATOM
1364
CB
SER
A
177
74.588
−47.925
−67.127
1.00
35.81
MOL1
C


ATOM
1365
OG
SER
A
177
75.571
−48.936
−66.998
1.00
38.60
MOL1
O


ATOM
1366
C
SER
A
177
76.042
−46.049
−66.314
1.00
43.36
MOL1
C


ATOM
1367
O
SER
A
177
76.122
−45.294
−67.273
1.00
37.64
MOL1
O


ATOM
1368
N
THR
A
178
77.040
−46.225
−65.458
1.00
49.84
MOL1
N


ATOM
1369
CA
THR
A
178
78.297
−45.497
−65.574
1.00
52.81
MOL1
C


ATOM
1370
CB
THR
A
178
78.464
−44.563
−64.380
1.00
52.72
MOL1
C


ATOM
1371
OG1
THR
A
178
77.268
−43.784
−64.208
1.00
53.19
MOL1
O


ATOM
1372
CG2
THR
A
178
79.661
−43.672
−64.585
1.00
49.15
MOL1
C


ATOM
1373
C
THR
A
178
79.525
−46.419
−65.642
1.00
53.03
MOL1
C


ATOM
1374
O
THR
A
178
79.827
−47.156
−64.706
1.00
50.94
MOL1
O


ATOM
1375
N
LEU
A
179
80.235
−46.368
−66.758
1.00
52.76
MOL1
N


ATOM
1376
CA
LEU
A
179
81.420
−47.185
−66.946
1.00
49.79
MOL1
C


ATOM
1377
CB
LEU
A
179
81.573
−47.529
−68.423
1.00
36.69
MOL1
C


ATOM
1378
CG
LEU
A
179
82.180
−48.863
−68.827
1.00
28.63
MOL1
C


ATOM
1379
CD1
LEU
A
179
82.723
−48.732
−70.234
1.00
9.54
MOL1
C


ATOM
1380
CD2
LEU
A
179
83.255
−49.267
−67.853
1.00
12.92
MOL1
C


ATOM
1381
C
LEU
A
179
82.613
−46.359
−66.500
1.00
55.80
MOL1
C


ATOM
1382
O
LEU
A
179
82.973
−45.379
−67.155
1.00
60.37
MOL1
O


ATOM
1383
N
THR
A
180
83.220
−46.732
−65.380
1.00
59.90
MOL1
N


ATOM
1384
CA
THR
A
180
84.376
−45.994
−64.909
1.00
61.75
MOL1
C


ATOM
1385
CB
THR
A
180
84.280
−45.653
−63.441
1.00
63.39
MOL1
C


ATOM
1386
OG1
THR
A
180
83.254
−44.670
−63.262
1.00
70.29
MOL1
O


ATOM
1387
CG2
THR
A
180
85.597
−45.084
−62.955
1.00
62.81
MOL1
C


ATOM
1388
C
THR
A
180
85.658
−46.751
−65.173
1.00
62.47
MOL1
C


ATOM
1389
O
THR
A
180
85.851
−47.886
−64.737
1.00
54.28
MOL1
O


ATOM
1390
N
LEU
A
181
86.526
−46.084
−65.920
1.00
65.09
MOL1
N


ATOM
1391
CA
LEU
A
181
87.802
−46.615
−66.331
1.00
62.68
MOL1
C


ATOM
1392
CB
LEU
A
181
87.846
−46.659
−67.856
1.00
47.31
MOL1
C


ATOM
1393
CG
LEU
A
181
86.804
−47.394
−68.708
1.00
38.89
MOL1
C


ATOM
1394
CD1
LEU
A
181
86.855
−46.908
−70.141
1.00
32.49
MOL1
C


ATOM
1395
CD2
LEU
A
181
87.068
−48.878
−68.681
1.00
40.25
MOL1
C


ATOM
1396
C
LEU
A
181
88.907
−45.689
−65.840
1.00
71.52
MOL1
C


ATOM
1397
O
LEU
A
181
88.650
−44.647
−65.235
1.00
78.58
MOL1
O


ATOM
1398
N
THR
A
182
90.142
−46.078
−66.124
1.00
74.68
MOL1
N


ATOM
1399
CA
THR
A
182
91.306
−45.298
−65.758
1.00
74.62
MOL1
C


ATOM
1400
CB
THR
A
182
92.413
−46.237
−65.283
1.00
62.12
MOL1
C


ATOM
1401
OG1
THR
A
182
93.526
−45.466
−64.827
1.00
74.80
MOL1
O


ATOM
1402
CG2
THR
A
182
92.834
−47.157
−66.395
1.00
52.68
MOL1
C


ATOM
1403
C
THR
A
182
91.718
−44.554
−67.032
1.00
77.25
MOL1
C


ATOM
1404
O
THR
A
182
91.715
−45.133
−68.108
1.00
74.29
MOL1
O


ATOM
1405
N
LYS
A
183
92.060
−43.274
−66.924
1.00
83.74
MOL1
N


ATOM
1406
CA
LYS
A
183
92.420
−42.525
−68.121
1.00
85.05
MOL1
C


ATOM
1407
CB
LYS
A
183
93.107
−41.200
−67.783
1.00
84.93
MOL1
C


ATOM
1408
CG
LYS
A
183
93.493
−40.396
−69.028
1.00
89.07
MOL1
C


ATOM
1409
CD
LYS
A
183
94.113
−39.041
−68.690
1.00
95.34
MOL1
C


ATOM
1410
CE
LYS
A
183
94.971
−38.505
−69.852
1.00
102.58
MOL1
C


ATOM
1411
NZ
LYS
A
183
94.225
−38.217
−71.122
1.00
101.02
MOL1
N


ATOM
1412
C
LYS
A
183
93.299
−43.336
−69.054
1.00
86.65
MOL1
C


ATOM
1413
O
LYS
A
183
93.243
−43.151
−70.264
1.00
89.84
MOL1
O


ATOM
1414
N
ASP
A
184
94.097
−44.244
−68.498
1.00
84.63
MOL1
N


ATOM
1415
CA
ASP
A
184
94.968
−45.074
−69.320
1.00
78.83
MOL1
C


ATOM
1416
CB
ASP
A
184
95.891
−45.922
−68.454
1.00
76.43
MOL1
C


ATOM
1417
CG
ASP
A
184
97.093
−45.160
−67.978
1.00
74.31
MOL1
C


ATOM
1418
OD1
ASP
A
184
97.602
−44.319
−68.747
1.00
72.34
MOL1
O


ATOM
1419
OD2
ASP
A
184
97.537
−45.412
−66.845
1.00
77.64
MOL1
O


ATOM
1420
C
ASP
A
184
94.164
−45.986
−70.222
1.00
74.98
MOL1
C


ATOM
1421
O
ASP
A
184
94.232
−45.882
−71.442
1.00
74.18
MOL1
O


ATOM
1422
N
GLU
A
185
93.410
−46.886
−69.602
1.00
72.44
MOL1
N


ATOM
1423
CA
GLU
A
185
92.573
−47.843
−70.315
1.00
66.34
MOL1
C


ATOM
1424
CB
GLU
A
185
91.754
−48.663
−69.314
1.00
63.30
MOL1
C


ATOM
1425
CG
GLU
A
185
90.586
−49.427
−69.921
1.00
67.55
MOL1
C


ATOM
1426
CD
GLU
A
185
90.754
−50.947
−69.877
1.00
72.80
MOL1
C


ATOM
1427
OE1
GLU
A
185
91.181
−51.544
−70.902
1.00
65.76
MOL1
O


ATOM
1428
OE2
GLU
A
185
90.456
−51.536
−68.810
1.00
70.09
MOL1
O


ATOM
1429
C
GLU
A
185
91.632
−47.153
−71.280
1.00
60.58
MOL1
C


ATOM
1430
O
GLU
A
185
91.301
−47.688
−72.326
1.00
59.86
MOL1
O


ATOM
1431
N
TYR
A
186
91.198
−45.956
−70.929
1.00
57.50
MOL1
N


ATOM
1432
CA
TYR
A
186
90.287
−45.246
−71.790
1.00
53.11
MOL1
C


ATOM
1433
CB
TYR
A
186
89.787
−43.998
−71.107
1.00
44.58
MOL1
C


ATOM
1434
CG
TYR
A
186
88.920
−43.169
−72.007
1.00
37.74
MOL1
C


ATOM
1435
CD1
TYR
A
186
89.158
−41.819
−72.167
1.00
31.73
MOL1
C


ATOM
1436
CE1
TYR
A
186
88.379
−41.062
−72.985
1.00
36.38
MOL1
C


ATOM
1437
CD2
TYR
A
186
87.870
−43.734
−72.696
1.00
31.82
MOL1
C


ATOM
1438
CE2
TYR
A
186
87.080
−42.980
−73.522
1.00
32.78
MOL1
C


ATOM
1439
CZ
TYR
A
186
87.336
−41.641
−73.664
1.00
35.16
MOL1
C


ATOM
1440
OH
TYR
A
186
86.546
−40.851
−74.466
1.00
32.28
MOL1
O


ATOM
1441
C
TYR
A
186
90.941
−44.873
−73.098
1.00
58.07
MOL1
C


ATOM
1442
O
TYR
A
186
90.287
−44.840
−74.137
1.00
58.04
MOL1
O


ATOM
1443
N
GLU
A
187
92.239
−44.592
−73.044
1.00
64.32
MOL1
N


ATOM
1444
CA
GLU
A
187
92.986
−44.205
−74.235
1.00
63.73
MOL1
C


ATOM
1445
CB
GLU
A
187
94.223
−43.415
−73.828
1.00
57.01
MOL1
C


ATOM
1446
CG
GLU
A
187
93.924
−42.217
−72.923
1.00
62.09
MOL1
C


ATOM
1447
CD
GLU
A
187
93.226
−41.066
−73.638
1.00
71.91
MOL1
C


ATOM
1448
OE1
GLU
A
187
93.049
−39.993
−73.018
1.00
72.14
MOL1
O


ATOM
1449
OE2
GLU
A
187
92.851
−41.224
−74.819
1.00
80.91
MOL1
O


ATOM
1450
C
GLU
A
187
93.372
−45.394
−75.117
1.00
64.63
MOL1
C


ATOM
1451
O
GLU
A
187
93.408
−45.263
−76.336
1.00
66.47
MOL1
O


ATOM
1452
N
ARG
A
188
93.641
−46.549
−74.504
1.00
63.39
MOL1
N


ATOM
1453
CA
ARG
A
188
94.005
−47.768
−75.234
1.00
58.30
MOL1
C


ATOM
1454
CB
ARG
A
188
94.199
−48.975
−74.289
1.00
49.50
MOL1
C


ATOM
1455
CG
ARG
A
188
95.198
−48.838
−73.133
1.00
57.70
MOL1
C


ATOM
1456
CD
ARG
A
188
95.079
−49.991
−72.096
1.00
51.90
MOL1
C


ATOM
1457
NE
ARG
A
188
94.958
−51.299
−72.754
1.00
76.56
MOL1
N


ATOM
1458
CZ
ARG
A
188
94.852
−52.466
−72.116
1.00
81.12
MOL1
C


ATOM
1459
NH1
ARG
A
188
94.856
−52.484
−70.787
1.00
82.98
MOL1
N


ATOM
1460
NH2
ARG
A
188
94.739
−53.612
−72.800
1.00
68.90
MOL1
N


ATOM
1461
C
ARG
A
188
92.938
−48.176
−76.254
1.00
59.20
MOL1
C


ATOM
1462
O
ARG
A
188
93.225
−48.956
−77.152
1.00
65.46
MOL1
O


ATOM
1463
N
HIS
A
189
91.712
−47.673
−76.112
1.00
56.80
MOL1
N


ATOM
1464
CA
HIS
A
189
90.631
−48.034
−77.032
1.00
55.86
MOL1
C


ATOM
1465
CB
HIS
A
189
89.620
−48.900
−76.317
1.00
42.17
MOL1
C


ATOM
1466
CG
HIS
A
189
90.204
−50.157
−75.762
1.00
38.98
MOL1
C


ATOM
1467
CD2
HIS
A
189
90.437
−51.360
−76.337
1.00
30.28
MOL1
C


ATOM
1468
ND1
HIS
A
189
90.630
−50.266
−74.456
1.00
39.36
MOL1
N


ATOM
1469
CE1
HIS
A
189
91.097
−51.484
−74.245
1.00
35.00
MOL1
C


ATOM
1470
NE2
HIS
A
189
90.991
−52.166
−75.372
1.00
46.08
MOL1
N


ATOM
1471
C
HIS
A
189
89.918
−46.858
−77.663
1.00
58.12
MOL1
C


ATOM
1472
O
HIS
A
189
90.022
−45.749
−77.172
1.00
62.25
MOL1
O


ATOM
1473
N
ASN
A
190
89.164
−47.108
−78.733
1.00
63.31
MOL1
N


ATOM
1474
CA
ASN
A
190
88.482
−46.036
−79.459
1.00
71.60
MOL1
C


ATOM
1475
CB
ASN
A
190
88.913
−46.052
−80.934
1.00
84.21
MOL1
C


ATOM
1476
CG
ASN
A
190
90.226
−46.810
−81.158
1.00
102.56
MOL1
C


ATOM
1477
OD1
ASN
A
190
91.244
−46.527
−80.511
1.00
107.31
MOL1
O


ATOM
1478
ND2
ASN
A
190
90.207
−47.779
−82.082
1.00
104.96
MOL1
N


ATOM
1479
C
ASN
A
190
86.964
−46.031
−79.416
1.00
67.58
MOL1
C


ATOM
1480
O
ASN
A
190
86.351
−44.999
−79.160
1.00
72.39
MOL1
O


ATOM
1481
N
SER
A
191
86.352
−47.173
−79.685
1.00
59.40
MOL1
N


ATOM
1482
CA
SER
A
191
84.902
−47.248
−79.695
1.00
56.91
MOL1
C


ATOM
1483
CB
SER
A
191
84.457
−48.247
−80.739
1.00
57.49
MOL1
C


ATOM
1484
OG
SER
A
191
83.319
−48.946
−80.269
1.00
69.90
MOL1
O


ATOM
1485
C
SER
A
191
84.239
−47.610
−78.375
1.00
54.40
MOL1
C


ATOM
1486
O
SER
A
191
84.642
−48.554
−77.716
1.00
58.76
MOL1
O


ATOM
1487
N
TYR
A
192
83.203
−46.863
−78.003
1.00
51.54
MOL1
N


ATOM
1488
CA
TYR
A
192
82.451
−47.120
−76.773
1.00
43.81
MOL1
C


ATOM
1489
CB
TYR
A
192
82.693
−46.050
−75.749
1.00
31.45
MOL1
C


ATOM
1490
CG
TYR
A
192
84.071
−46.101
−75.234
1.00
33.88
MOL1
C


ATOM
1491
CD1
TYR
A
192
85.092
−45.470
−75.896
1.00
27.09
MOL1
C


ATOM
1492
CE1
TYR
A
192
86.359
−45.561
−75.446
1.00
30.45
MOL1
C


ATOM
1493
CD2
TYR
A
192
84.365
−46.826
−74.105
1.00
35.96
MOL1
C


ATOM
1494
CE2
TYR
A
192
85.638
−46.925
−73.650
1.00
36.01
MOL1
C


ATOM
1495
CZ
TYR
A
192
86.626
−46.291
−74.322
1.00
31.98
MOL1
C


ATOM
1496
OH
TYR
A
192
87.900
−46.375
−73.855
1.00
47.59
MOL1
O


ATOM
1497
C
TYR
A
192
80.974
−47.178
−76.994
1.00
40.63
MOL1
C


ATOM
1498
O
TYR
A
192
80.384
−46.205
−77.423
1.00
52.47
MOL1
O


ATOM
1499
N
THR
A
193
80.357
−48.308
−76.706
1.00
37.69
MOL1
N


ATOM
1500
CA
THR
A
193
78.928
−48.374
−76.892
1.00
38.83
MOL1
C


ATOM
1501
CB
THR
A
193
78.503
−49.230
−78.093
1.00
37.54
MOL1
C


ATOM
1502
OG1
THR
A
193
78.013
−50.486
−77.614
1.00
45.73
MOL1
O


ATOM
1503
CG2
THR
A
193
79.662
−49.433
−79.084
1.00
33.88
MOL1
C


ATOM
1504
C
THR
A
193
78.199
−48.868
−75.663
1.00
41.18
MOL1
C


ATOM
1505
O
THR
A
193
78.737
−49.561
−74.816
1.00
38.28
MOL1
O


ATOM
1506
N
CYS
A
194
76.941
−48.476
−75.598
1.00
47.42
MOL1
N


ATOM
1507
CA
CYS
A
194
76.047
−48.774
−74.502
1.00
47.15
MOL1
C


ATOM
1508
C
CYS
A
194
74.831
−49.431
−75.134
1.00
47.65
MOL1
C


ATOM
1509
O
CYS
A
194
74.062
−48.774
−75.803
1.00
54.03
MOL1
O


ATOM
1510
CB
CYS
A
194
75.684
−47.442
−73.858
1.00
39.68
MOL1
C


ATOM
1511
SG
CYS
A
194
74.348
−47.500
−72.653
1.00
51.74
MOL1
S


ATOM
1512
N
GLU
A
195
74.671
−50.731
−74.942
1.00
48.90
MOL1
N


ATOM
1513
CA
GLU
A
195
73.563
−51.470
−75.536
1.00
49.80
MOL1
C


ATOM
1514
CB
GLU
A
195
74.036
−52.807
−76.101
1.00
53.85
MOL1
C


ATOM
1515
CG
GLU
A
195
74.596
−52.777
−77.489
1.00
65.24
MOL1
C


ATOM
1516
CD
GLU
A
195
75.010
−54.161
−77.957
1.00
74.76
MOL1
C


ATOM
1517
OE1
GLU
A
195
74.373
−55.150
−77.505
1.00
68.48
MOL1
O


ATOM
1518
OE2
GLU
A
195
75.960
−54.249
−78.784
1.00
78.03
MOL1
O


ATOM
1519
C
GLU
A
195
72.477
−51.790
−74.549
1.00
49.53
MOL1
C


ATOM
1520
O
GLU
A
195
72.682
−52.576
−73.630
1.00
54.30
MOL1
O


ATOM
1521
N
ALA
A
196
71.299
−51.231
−74.779
1.00
48.84
MOL1
N


ATOM
1522
CA
ALA
A
196
70.150
−51.463
−73.914
1.00
45.50
MOL1
C


ATOM
1523
CB
ALA
A
196
69.484
−50.169
−73.632
1.00
36.22
MOL1
C


ATOM
1524
C
ALA
A
196
69.127
−52.425
−74.496
1.00
42.90
MOL1
C


ATOM
1525
O
ALA
A
196
68.513
−52.128
−75.505
1.00
44.36
MOL1
O


ATOM
1526
N
THR
A
197
68.941
−53.572
−73.855
1.00
46.25
MOL1
N


ATOM
1527
CA
THR
A
197
67.967
−54.546
−74.312
1.00
48.46
MOL1
C


ATOM
1528
CB
THR
A
197
68.576
−55.949
−74.334
1.00
48.70
MOL1
C


ATOM
1529
OG1
THR
A
197
69.130
−56.194
−75.631
1.00
54.19
MOL1
O


ATOM
1530
CG2
THR
A
197
67.535
−56.992
−74.042
1.00
53.48
MOL1
C


ATOM
1531
C
THR
A
197
66.702
−54.494
−73.439
1.00
49.26
MOL1
C


ATOM
1532
O
THR
A
197
66.755
−54.609
−72.214
1.00
44.04
MOL1
O


ATOM
1533
N
HIS
A
198
65.560
−54.320
−74.102
1.00
52.14
MOL1
N


ATOM
1534
CA
HIS
A
198
64.278
−54.182
−73.429
1.00
48.51
MOL1
C


ATOM
1535
CB
HIS
A
198
63.990
−52.696
−73.274
1.00
50.82
MOL1
C


ATOM
1536
CG
HIS
A
198
62.824
−52.388
−72.395
1.00
51.96
MOL1
C


ATOM
1537
CD2
HIS
A
198
61.867
−51.440
−72.493
1.00
49.15
MOL1
C


ATOM
1538
ND1
HIS
A
198
62.600
−53.040
−71.201
1.00
54.81
MOL1
N


ATOM
1539
CE1
HIS
A
198
61.556
−52.504
−70.600
1.00
53.80
MOL1
C


ATOM
1540
NE2
HIS
A
198
61.094
−51.530
−71.363
1.00
55.59
MOL1
N


ATOM
1541
C
HIS
A
198
63.084
−54.851
−74.106
1.00
47.86
MOL1
C


ATOM
1542
O
HIS
A
198
62.980
−54.892
−75.323
1.00
51.50
MOL1
O


ATOM
1543
N
LYS
A
199
62.177
−55.352
−73.279
1.00
50.89
MOL1
N


ATOM
1544
CA
LYS
A
199
60.943
−56.023
−73.686
1.00
45.78
MOL1
C


ATOM
1545
CB
LYS
A
199
59.970
−56.037
−72.489
1.00
44.61
MOL1
C


ATOM
1546
CG
LYS
A
199
58.541
−56.495
−72.772
1.00
44.39
MOL1
C


ATOM
1547
CD
LYS
A
199
57.756
−56.707
−71.466
1.00
47.28
MOL1
C


ATOM
1548
CE
LYS
A
199
56.227
−56.710
−71.638
1.00
53.72
MOL1
C


ATOM
1549
NZ
LYS
A
199
55.676
−57.784
−72.524
1.00
62.45
MOL1
N


ATOM
1550
C
LYS
A
199
60.263
−55.369
−74.868
1.00
44.08
MOL1
C


ATOM
1551
O
LYS
A
199
59.597
−56.048
−75.648
1.00
45.54
MOL1
O


ATOM
1552
N
THR
A
200
60.429
−54.054
−75.000
1.00
38.03
MOL1
N


ATOM
1553
CA
THR
A
200
59.778
−53.323
−76.077
1.00
39.11
MOL1
C


ATOM
1554
CB
THR
A
200
59.803
−51.790
−75.832
1.00
35.10
MOL1
C


ATOM
1555
OG1
THR
A
200
61.140
−51.292
−75.896
1.00
43.36
MOL1
O


ATOM
1556
CG2
THR
A
200
59.243
−51.468
−74.483
1.00
40.65
MOL1
C


ATOM
1557
C
THR
A
200
60.284
−53.601
−77.489
1.00
45.06
MOL1
C


ATOM
1558
O
THR
A
200
59.611
−53.251
−78.461
1.00
46.28
MOL1
O


ATOM
1559
N
SER
A
201
61.454
−54.226
−77.612
1.00
52.58
MOL1
N


ATOM
1560
CA
SER
A
201
62.019
−54.525
−78.928
1.00
56.91
MOL1
C


ATOM
1561
CB
SER
A
201
62.890
−53.370
−79.415
1.00
64.84
MOL1
C


ATOM
1562
OG
SER
A
201
62.651
−52.186
−78.662
1.00
79.89
MOL1
O


ATOM
1563
C
SER
A
201
62.858
−55.786
−78.927
1.00
58.33
MOL1
C


ATOM
1564
O
SER
A
201
63.387
−56.203
−77.890
1.00
61.71
MOL1
O


ATOM
1565
N
THR
A
202
62.979
−56.377
−80.111
1.00
55.24
MOL1
N


ATOM
1566
CA
THR
A
202
63.742
−57.598
−80.313
1.00
54.05
MOL1
C


ATOM
1567
CB
THR
A
202
63.183
−58.385
−81.491
1.00
45.01
MOL1
C


ATOM
1568
OG1
THR
A
202
63.108
−57.522
−82.631
1.00
44.48
MOL1
O


ATOM
1569
CG2
THR
A
202
61.810
−58.921
−81.171
1.00
37.84
MOL1
C


ATOM
1570
C
THR
A
202
65.177
−57.225
−80.647
1.00
58.54
MOL1
C


ATOM
1571
O
THR
A
202
66.090
−58.049
−80.582
1.00
64.29
MOL1
O


ATOM
1572
N
SER
A
203
65.359
−55.967
−81.009
1.00
55.87
MOL1
N


ATOM
1573
CA
SER
A
203
66.659
−55.469
−81.390
1.00
55.42
MOL1
C


ATOM
1574
CB
SER
A
203
66.579
−54.862
−82.792
1.00
64.96
MOL1
C


ATOM
1575
OG
SER
A
203
65.456
−55.364
−83.506
1.00
68.33
MOL1
O


ATOM
1576
C
SER
A
203
67.032
−54.401
−80.405
1.00
51.49
MOL1
C


ATOM
1577
O
SER
A
203
66.366
−53.378
−80.324
1.00
56.39
MOL1
O


ATOM
1578
N
PRO
A
204
68.125
−54.603
−79.667
1.00
49.57
MOL1
N


ATOM
1579
CD
PRO
A
204
69.104
−55.652
−79.978
1.00
45.62
MOL1
C


ATOM
1580
CA
PRO
A
204
68.655
−53.689
−78.646
1.00
47.71
MOL1
C


ATOM
1581
CB
PRO
A
204
69.883
−54.423
−78.143
1.00
36.27
MOL1
C


ATOM
1582
CG
PRO
A
204
70.362
−55.096
−79.363
1.00
46.52
MOL1
C


ATOM
1583
C
PRO
A
204
68.969
−52.275
−79.131
1.00
44.75
MOL1
C


ATOM
1584
O
PRO
A
204
69.432
−52.078
−80.254
1.00
51.85
MOL1
O


ATOM
1585
N
ILE
A
205
68.689
−51.289
−78.286
1.00
37.07
MOL1
N


ATOM
1586
CA
ILE
A
205
68.956
−49.906
−78.636
1.00
35.88
MOL1
C


ATOM
1587
CB
ILE
A
205
68.136
−48.913
−77.778
1.00
28.59
MOL1
C


ATOM
1588
CG2
ILE
A
205
68.284
−47.508
−78.298
1.00
13.39
MOL1
C


ATOM
1589
CG1
ILE
A
205
66.658
−49.256
−77.849
1.00
31.89
MOL1
C


ATOM
1590
CD1
ILE
A
205
65.760
−48.190
−77.275
1.00
39.23
MOL1
C


ATOM
1591
C
ILE
A
205
70.420
−49.701
−78.337
1.00
39.64
MOL1
C


ATOM
1592
O
ILE
A
205
70.864
−49.964
−77.230
1.00
44.95
MOL1
O


ATOM
1593
N
VAL
A
206
71.179
−49.245
−79.323
1.00
43.84
MOL1
N


ATOM
1594
CA
VAL
A
206
72.603
−49.033
−79.113
1.00
46.15
MOL1
C


ATOM
1595
CB
VAL
A
206
73.460
−49.918
−80.009
1.00
40.18
MOL1
C


ATOM
1596
CG1
VAL
A
206
72.920
−51.328
−80.020
1.00
42.45
MOL1
C


ATOM
1597
CG2
VAL
A
206
73.492
−49.351
−81.399
1.00
46.95
MOL1
C


ATOM
1598
C
VAL
A
206
73.016
−47.621
−79.397
1.00
49.94
MOL1
C


ATOM
1599
O
VAL
A
206
72.652
−47.049
−80.418
1.00
61.62
MOL1
O


ATOM
1600
N
LYS
A
207
73.784
−47.059
−78.483
1.00
50.86
MOL1
N


ATOM
1601
CA
LYS
A
207
74.274
−45.707
−78.639
1.00
58.81
MOL1
C


ATOM
1602
CB
LYS
A
207
73.559
−44.765
−77.671
1.00
58.42
MOL1
C


ATOM
1603
CG
LYS
A
207
72.054
−44.611
−77.924
1.00
64.34
MOL1
C


ATOM
1604
CD
LYS
A
207
71.751
−44.216
−79.377
1.00
73.63
MOL1
C


ATOM
1605
CE
LYS
A
207
70.355
−43.607
−79.559
1.00
74.77
MOL1
C


ATOM
1606
NZ
LYS
A
207
70.253
−42.210
−79.017
1.00
80.67
MOL1
N


ATOM
1607
C
LYS
A
207
75.760
−45.757
−78.342
1.00
62.66
MOL1
C


ATOM
1608
O
LYS
A
207
76.181
−46.435
−77.409
1.00
66.08
MOL1
O


ATOM
1609
N
SER
A
208
76.559
−45.064
−79.144
1.00
64.15
MOL1
N


ATOM
1610
CA
SER
A
208
77.996
−45.070
−78.937
1.00
63.92
MOL1
C


ATOM
1611
CB
SER
A
208
78.621
−46.249
−79.658
1.00
62.29
MOL1
C


ATOM
1612
OG
SER
A
208
78.496
−46.087
−81.051
1.00
69.40
MOL1
O


ATOM
1613
C
SER
A
208
78.660
−43.803
−79.414
1.00
66.06
MOL1
C


ATOM
1614
O
SER
A
208
78.001
−42.892
−79.908
1.00
72.59
MOL1
O


ATOM
1615
N
PHE
A
209
79.978
−43.762
−79.272
1.00
66.19
MOL1
N


ATOM
1616
CA
PHE
A
209
80.750
−42.605
−79.676
1.00
71.93
MOL1
C


ATOM
1617
CB
PHE
A
209
80.563
−41.508
−78.655
1.00
68.73
MOL1
C


ATOM
1618
CG
PHE
A
209
81.399
−41.692
−77.441
1.00
62.75
MOL1
C


ATOM
1619
CD1
PHE
A
209
82.611
−41.041
−77.318
1.00
64.63
MOL1
C


ATOM
1620
CD2
PHE
A
209
81.001
−42.548
−76.443
1.00
64.44
MOL1
C


ATOM
1621
CE1
PHE
A
209
83.411
−41.245
−76.220
1.00
68.44
MOL1
C


ATOM
1622
CE2
PHE
A
209
81.797
−42.759
−75.339
1.00
71.39
MOL1
C


ATOM
1623
CZ
PHE
A
209
83.006
−42.107
−75.227
1.00
71.78
MOL1
C


ATOM
1624
C
PHE
A
209
82.222
−42.972
−79.725
1.00
75.88
MOL1
C


ATOM
1625
O
PHE
A
209
82.674
−43.788
−78.937
1.00
79.10
MOL1
O


ATOM
1626
N
ASN
A
210
82.970
−42.364
−80.639
1.00
80.19
MOL1
N


ATOM
1627
CA
ASN
A
210
84.397
−42.637
−80.739
1.00
83.35
MOL1
C


ATOM
1628
CB
ASN
A
210
84.787
−42.975
−82.168
1.00
74.44
MOL1
C


ATOM
1629
CG
ASN
A
210
83.996
−44.117
−82.729
1.00
72.99
MOL1
C


ATOM
1630
OD1
ASN
A
210
84.357
−44.680
−83.759
1.00
75.22
MOL1
O


ATOM
1631
ND2
ASN
A
210
82.905
−44.467
−82.067
1.00
72.31
MOL1
N


ATOM
1632
C
ASN
A
210
85.172
−41.411
−80.299
1.00
92.82
MOL1
C


ATOM
1633
O
ASN
A
210
84.599
−40.327
−80.169
1.00
99.32
MOL1
O


ATOM
1634
N
ARG
A
211
86.473
−41.571
−80.073
1.00
99.04
MOL1
N


ATOM
1635
CA
ARG
A
211
87.287
−40.439
−79.659
1.00
107.02
MOL1
C


ATOM
1636
CB
ARG
A
211
88.451
−40.903
−78.791
1.00
93.10
MOL1
C


ATOM
1637
CG
ARG
A
211
88.073
−41.235
−77.356
1.00
79.51
MOL1
C


ATOM
1638
CD
ARG
A
211
89.295
−41.722
−76.571
1.00
73.79
MOL1
C


ATOM
1639
NE
ARG
A
211
90.006
−42.738
−77.341
1.00
71.41
MOL1
N


ATOM
1640
CZ
ARG
A
211
91.270
−42.640
−77.738
1.00
70.17
MOL1
C


ATOM
1641
NH1
ARG
A
211
91.982
−41.569
−77.420
1.00
71.92
MOL1
N


ATOM
1642
NH2
ARG
A
211
91.805
−43.587
−78.506
1.00
68.06
MOL1
N


ATOM
1643
C
ARG
A
211
87.804
−39.593
−80.827
1.00
121.27
MOL1
C


ATOM
1644
O
ARG
A
211
88.444
−40.099
−81.766
1.00
119.32
MOL1
O


ATOM
1645
N
ASN
A
212
87.487
−38.298
−80.752
1.00
135.01
MOL1
N


ATOM
1646
CA
ASN
A
212
87.890
−37.305
−81.745
1.00
145.02
MOL1
C


ATOM
1647
CB
ASN
A
212
86.663
−36.718
−82.458
1.00
137.80
MOL1
C


ATOM
1648
CG
ASN
A
212
85.950
−37.738
−83.333
1.00
132.35
MOL1
C


ATOM
1649
OD1
ASN
A
212
86.566
−38.393
−84.177
1.00
126.73
MOL1
O


ATOM
1650
ND2
ASN
A
212
84.643
−37.870
−83.140
1.00
128.12
MOL1
N


ATOM
1651
C
ASN
A
212
88.694
−36.198
−81.045
1.00
154.72
MOL1
C


ATOM
1652
O
ASN
A
212
89.535
−35.545
−81.668
1.00
157.30
MOL1
O


ATOM
1653
N
GLU
A
213
88.428
−36.001
−79.750
1.00
162.53
MOL1
N


ATOM
1654
CA
GLU
A
213
89.138
−35.014
−78.920
1.00
168.79
MOL1
C


ATOM
1655
CB
GLU
A
213
90.625
−35.395
−78.813
1.00
169.60
MOL1
C


ATOM
1656
CG
GLU
A
213
90.907
−36.740
−78.141
1.00
170.51
MOL1
C


ATOM
1657
CD
GLU
A
213
92.383
−37.131
−78.192
1.00
169.55
MOL1
C


ATOM
1658
OE1
GLU
A
213
92.749
−38.162
−77.588
1.00
168.02
MOL1
O


ATOM
1659
OE2
GLU
A
213
93.175
−36.411
−78.838
1.00
169.37
MOL1
O


ATOM
1660
C
GLU
A
213
89.049
−33.548
−79.357
1.00
172.64
MOL1
C


ATOM
1661
O
GLU
A
213
89.783
−33.115
−80.248
1.00
173.63
MOL1
O


ATOM
1662
N
CYS
A
214
88.171
−32.784
−78.709
1.00
176.10
MOL1
N


ATOM
1663
CA
CYS
A
214
87.997
−31.359
−79.010
1.00
179.13
MOL1
C


ATOM
1664
CB
CYS
A
214
87.418
−31.162
−80.423
1.00
179.49
MOL1
C


ATOM
1665
SG
CYS
A
214
88.420
−30.127
−81.553
1.00
180.10
MOL1
S


ATOM
1666
C
CYS
A
214
87.067
−30.702
−77.984
1.00
180.20
MOL1
C


ATOM
1667
O
CYS
A
214
86.648
−31.400
−77.034
1.00
181.04
MOL1
O


ATOM
1668
OXT
CYS
A
214
86.764
−29.497
−78.143
1.00
180.10
MOL1
O


ATOM
1669
CB
GLU
B
1
46.708
−39.422
−29.729
1.00
92.80
MOL1
C


ATOM
1670
CG
GLU
B
1
45.511
−38.548
−30.169
1.00
106.71
MOL1
C


ATOM
1671
CD
GLU
B
1
45.054
−37.536
−29.111
1.00
113.96
MOL1
C


ATOM
1672
OE1
GLU
B
1
44.367
−36.557
−29.487
1.00
113.19
MOL1
O


ATOM
1673
OE2
GLU
B
1
45.363
−37.722
−27.908
1.00
118.07
MOL1
O


ATOM
1674
C
GLU
B
1
49.136
−39.618
−29.188
1.00
76.62
MOL1
C


ATOM
1675
O
GLU
B
1
49.286
−39.476
−27.979
1.00
79.69
MOL1
O


ATOM
1676
N
GLU
B
1
48.419
−38.707
−31.390
1.00
83.29
MOL1
N


ATOM
1677
CA
GLU
B
1
48.098
−38.794
−29.937
1.00
81.61
MOL1
C


ATOM
1678
N
VAL
B
2
49.865
−40.468
−29.900
1.00
68.35
MOL1
N


ATOM
1679
CA
VAL
B
2
50.857
−41.313
−29.248
1.00
63.27
MOL1
C


ATOM
1680
CB
VAL
B
2
50.550
−42.780
−29.493
1.00
59.59
MOL1
C


ATOM
1681
CG1
VAL
B
2
51.267
−43.634
−28.481
1.00
51.24
MOL1
C


ATOM
1682
CG2
VAL
B
2
49.052
−42.995
−29.492
1.00
63.72
MOL1
C


ATOM
1683
C
VAL
B
2
52.262
−41.077
−29.757
1.00
67.70
MOL1
C


ATOM
1684
O
VAL
B
2
52.880
−41.996
−30.286
1.00
77.73
MOL1
O


ATOM
1685
N
GLN
B
3
52.781
−39.870
−29.584
1.00
66.29
MOL1
N


ATOM
1686
CA
GLN
B
3
54.125
−39.534
−30.060
1.00
62.99
MOL1
C


ATOM
1687
CB
GLN
B
3
54.452
−38.077
−29.719
1.00
73.78
MOL1
C


ATOM
1688
CG
GLN
B
3
53.589
−37.034
−30.427
1.00
91.77
MOL1
C


ATOM
1689
CD
GLN
B
3
53.525
−37.241
−31.934
1.00
101.46
MOL1
C


ATOM
1690
OE1
GLN
B
3
52.813
−38.126
−32.421
1.00
106.00
MOL1
O


ATOM
1691
NE2
GLN
B
3
54.281
−36.429
−32.682
1.00
105.77
MOL1
N


ATOM
1692
C
GLN
B
3
55.300
−40.401
−29.583
1.00
55.69
MOL1
C


ATOM
1693
O
GLN
B
3
55.367
−40.827
−28.438
1.00
46.69
MOL1
O


ATOM
1694
N
LEU
B
4
56.226
−40.651
−30.500
1.00
54.86
MOL1
N


ATOM
1695
CA
LEU
B
4
57.460
−41.395
−30.236
1.00
51.40
MOL1
C


ATOM
1696
CB
LEU
B
4
57.385
−42.836
−30.704
1.00
50.04
MOL1
C


ATOM
1697
CG
LEU
B
4
56.609
−43.772
−29.813
1.00
53.16
MOL1
C


ATOM
1698
CD1
LEU
B
4
56.653
−45.200
−30.362
1.00
54.68
MOL1
C


ATOM
1699
CD2
LEU
B
4
57.235
−43.682
−28.448
1.00
57.66
MOL1
C


ATOM
1700
C
LEU
B
4
58.491
−40.688
−31.090
1.00
52.50
MOL1
C


ATOM
1701
O
LEU
B
4
58.267
−40.482
−32.290
1.00
55.22
MOL1
O


ATOM
1702
N
VAL
B
5
59.603
−40.279
−30.491
1.00
51.49
MOL1
N


ATOM
1703
CA
VAL
B
5
60.636
−39.598
−31.267
1.00
48.73
MOL1
C


ATOM
1704
CB
VAL
B
5
60.564
−38.054
−31.130
1.00
38.29
MOL1
C


ATOM
1705
CG1
VAL
B
5
59.153
−37.620
−30.886
1.00
20.66
MOL1
C


ATOM
1706
CG2
VAL
B
5
61.470
−37.580
−30.024
1.00
46.70
MOL1
C


ATOM
1707
C
VAL
B
5
62.033
−40.067
−30.891
1.00
51.85
MOL1
C


ATOM
1708
O
VAL
B
5
62.441
−40.045
−29.724
1.00
53.70
MOL1
O


ATOM
1709
N
GLU
B
6
62.759
−40.517
−31.904
1.00
54.55
MOL1
N


ATOM
1710
CA
GLU
B
6
64.109
−41.004
−31.698
1.00
59.68
MOL1
C


ATOM
1711
CB
GLU
B
6
64.419
−42.179
−32.638
1.00
58.72
MOL1
C


ATOM
1712
CG
GLU
B
6
63.520
−43.391
−32.442
1.00
63.40
MOL1
C


ATOM
1713
CD
GLU
B
6
62.481
−43.540
−33.538
1.00
68.99
MOL1
C


ATOM
1714
OE1
GLU
B
6
61.896
−42.521
−33.965
1.00
68.13
MOL1
O


ATOM
1715
OE2
GLU
B
6
62.239
−44.684
−33.969
1.00
72.32
MOL1
O


ATOM
1716
C
GLU
B
6
65.102
−39.877
−31.926
1.00
62.51
MOL1
C


ATOM
1717
O
GLU
B
6
64.779
−38.840
−32.519
1.00
62.23
MOL1
O


ATOM
1718
N
SER
B
7
66.317
−40.092
−31.444
1.00
65.47
MOL1
N


ATOM
1719
CA
SER
B
7
67.363
−39.105
−31.564
1.00
67.74
MOL1
C


ATOM
1720
CB
SER
B
7
67.110
−37.975
−30.580
1.00
71.57
MOL1
C


ATOM
1721
OG
SER
B
7
68.305
−37.256
−30.342
1.00
85.77
MOL1
O


ATOM
1722
C
SER
B
7
68.714
−39.718
−31.272
1.00
69.29
MOL1
C


ATOM
1723
O
SER
B
7
68.814
−40.789
−30.668
1.00
66.88
MOL1
O


ATOM
1724
N
GLY
B
8
69.757
−39.021
−31.700
1.00
73.83
MOL1
N


ATOM
1725
CA
GLY
B
8
71.101
−39.503
−31.462
1.00
79.51
MOL1
C


ATOM
1726
C
GLY
B
8
71.689
−40.148
−32.690
1.00
81.37
MOL1
C


ATOM
1727
O
GLY
B
8
72.599
−40.967
−32.594
1.00
80.82
MOL1
O


ATOM
1728
N
GLY
B
9
71.167
−39.775
−33.851
1.00
84.19
MOL1
N


ATOM
1729
CA
GLY
B
9
71.665
−40.342
−35.087
1.00
85.32
MOL1
C


ATOM
1730
C
GLY
B
9
72.935
−39.674
−35.563
1.00
84.49
MOL1
C


ATOM
1731
O
GLY
B
9
73.254
−38.563
−35.144
1.00
83.86
MOL1
O


ATOM
1732
N
GLY
B
10
73.657
−40.358
−36.444
1.00
88.01
MOL1
N


ATOM
1733
CA
GLY
B
10
74.897
−39.823
−36.982
1.00
91.06
MOL1
C


ATOM
1734
C
GLY
B
10
75.817
−40.917
−37.498
1.00
90.60
MOL1
C


ATOM
1735
O
GLY
B
10
75.444
−42.097
−37.503
1.00
89.39
MOL1
O


ATOM
1736
N
LEU
B
11
77.016
−40.535
−37.940
1.00
87.59
MOL1
N


ATOM
1737
CA
LEU
B
11
77.980
−41.515
−38.445
1.00
84.85
MOL1
C


ATOM
1738
CB
LEU
B
11
78.654
−41.035
−39.732
1.00
83.78
MOL1
C


ATOM
1739
CG
LEU
B
11
79.532
−39.793
−39.639
1.00
92.04
MOL1
C


ATOM
1740
CD1
LEU
B
11
80.000
−39.404
−41.038
1.00
89.62
MOL1
C


ATOM
1741
CD2
LEU
B
11
78.752
−38.648
−38.988
1.00
98.71
MOL1
C


ATOM
1742
C
LEU
B
11
79.026
−41.762
−37.387
1.00
80.95
MOL1
C


ATOM
1743
O
LEU
B
11
79.219
−40.940
−36.493
1.00
80.32
MOL1
O


ATOM
1744
N
VAL
B
12
79.706
−42.894
−37.485
1.00
77.34
MOL1
N


ATOM
1745
CA
VAL
B
12
80.713
−43.226
−36.499
1.00
79.50
MOL1
C


ATOM
1746
CB
VAL
B
12
80.055
−43.626
−35.169
1.00
78.17
MOL1
C


ATOM
1747
CG1
VAL
B
12
79.010
−44.677
−35.412
1.00
76.02
MOL1
C


ATOM
1748
CG2
VAL
B
12
81.099
−44.151
−34.203
1.00
82.85
MOL1
C


ATOM
1749
C
VAL
B
12
81.602
−44.362
−36.964
1.00
81.68
MOL1
C


ATOM
1750
O
VAL
B
12
81.129
−45.441
−37.276
1.00
85.47
MOL1
O


ATOM
1751
N
GLN
B
13
82.902
−44.103
−37.004
1.00
87.73
MOL1
N


ATOM
1752
CA
GLN
B
13
83.887
−45.087
−37.429
1.00
87.70
MOL1
C


ATOM
1753
CB
GLN
B
13
85.299
−44.564
−37.106
1.00
93.25
MOL1
C


ATOM
1754
CG
GLN
B
13
85.612
−44.330
−35.600
1.00
105.01
MOL1
C


ATOM
1755
CD
GLN
B
13
84.752
−43.241
−34.923
1.00
108.62
MOL1
C


ATOM
1756
OE1
GLN
B
13
84.530
−42.161
−35.487
1.00
110.17
MOL1
O


ATOM
1757
NE2
GLN
B
13
84.289
−43.521
−33.698
1.00
100.71
MOL1
N


ATOM
1758
C
GLN
B
13
83.650
−46.441
−36.767
1.00
81.85
MOL1
C


ATOM
1759
O
GLN
B
13
83.176
−46.522
−35.644
1.00
83.04
MOL1
O


ATOM
1760
N
PRO
B
14
83.955
−47.527
−37.473
1.00
78.83
MOL1
N


ATOM
1761
CD
PRO
B
14
84.450
−47.575
−38.857
1.00
80.79
MOL1
C


ATOM
1762
CA
PRO
B
14
83.772
−48.872
−36.929
1.00
81.36
MOL1
C


ATOM
1763
CB
PRO
B
14
84.589
−49.731
−37.878
1.00
80.68
MOL1
C


ATOM
1764
CG
PRO
B
14
84.344
−49.058
−39.191
1.00
84.61
MOL1
C


ATOM
1765
C
PRO
B
14
84.300
−48.942
−35.511
1.00
84.32
MOL1
C


ATOM
1766
O
PRO
B
14
85.114
−48.116
−35.112
1.00
85.63
MOL1
O


ATOM
1767
N
GLY
B
15
83.842
−49.927
−34.750
1.00
89.73
MOL1
N


ATOM
1768
CA
GLY
B
15
84.300
−50.066
−33.380
1.00
93.56
MOL1
C


ATOM
1769
C
GLY
B
15
83.741
−49.008
−32.448
1.00
93.53
MOL1
C


ATOM
1770
O
GLY
B
15
83.483
−49.287
−31.279
1.00
96.75
MOL1
O


ATOM
1771
N
GLY
B
16
83.553
−47.796
−32.963
1.00
93.40
MOL1
N


ATOM
1772
CA
GLY
B
16
83.020
−46.708
−32.156
1.00
93.36
MOL1
C


ATOM
1773
C
GLY
B
16
81.716
−47.030
−31.443
1.00
92.55
MOL1
C


ATOM
1774
O
GLY
B
16
81.203
−48.151
−31.535
1.00
92.88
MOL1
O


ATOM
1775
N
SER
B
17
81.174
−46.054
−30.722
1.00
90.20
MOL1
N


ATOM
1776
CA
SER
B
17
79.921
−46.275
−30.010
1.00
91.53
MOL1
C


ATOM
1777
CB
SER
B
17
80.192
−46.638
−28.553
1.00
90.56
MOL1
C


ATOM
1778
OG
SER
B
17
80.673
−47.965
−28.461
1.00
97.19
MOL1
O


ATOM
1779
C
SER
B
17
78.934
−45.114
−30.066
1.00
91.20
MOL1
C


ATOM
1780
O
SER
B
17
79.320
−43.948
−30.217
1.00
90.40
MOL1
O


ATOM
1781
N
LEU
B
18
77.650
−45.455
−29.957
1.00
87.85
MOL1
N


ATOM
1782
CA
LEU
B
18
76.585
−44.466
−29.973
1.00
81.60
MOL1
C


ATOM
1783
CB
LEU
B
18
76.053
−44.262
−31.388
1.00
80.12
MOL1
C


ATOM
1784
CG
LEU
B
18
76.209
−42.801
−31.815
1.00
81.32
MOL1
C


ATOM
1785
CD1
LEU
B
18
75.633
−42.590
−33.202
1.00
76.33
MOL1
C


ATOM
1786
CD2
LEU
B
18
75.517
−41.904
−30.788
1.00
85.69
MOL1
C


ATOM
1787
C
LEU
B
18
75.449
−44.875
−29.051
1.00
80.39
MOL1
C


ATOM
1788
O
LEU
B
18
75.233
−46.064
−28.795
1.00
77.79
MOL1
O


ATOM
1789
N
ARG
B
19
74.740
−43.870
−28.541
1.00
80.56
MOL1
N


ATOM
1790
CA
ARG
B
19
73.605
−44.078
−27.641
1.00
80.87
MOL1
C


ATOM
1791
CB
ARG
B
19
73.897
−43.494
−26.254
1.00
85.72
MOL1
C


ATOM
1792
CG
ARG
B
19
72.751
−43.590
−25.237
1.00
82.86
MOL1
C


ATOM
1793
CD
ARG
B
19
72.952
−42.531
−24.160
1.00
87.91
MOL1
C


ATOM
1794
NE
ARG
B
19
72.042
−42.612
−23.015
1.00
91.00
MOL1
N


ATOM
1795
CZ
ARG
B
19
71.945
−43.653
−22.189
1.00
94.13
MOL1
C


ATOM
1796
NH1
ARG
B
19
72.693
−44.741
−22.376
1.00
84.28
MOL1
N


ATOM
1797
NH2
ARG
B
19
71.128
−43.583
−21.140
1.00
93.49
MOL1
N


ATOM
1798
C
ARG
B
19
72.382
−43.379
−28.224
1.00
79.41
MOL1
C


ATOM
1799
O
ARG
B
19
72.371
−42.153
−28.396
1.00
79.85
MOL1
O


ATOM
1800
N
LEU
B
20
71.354
−44.168
−28.525
1.00
75.09
MOL1
N


ATOM
1801
CA
LEU
B
20
70.123
−43.640
−29.088
1.00
66.85
MOL1
C


ATOM
1802
CB
LEU
B
20
69.645
−44.530
−30.219
1.00
65.49
MOL1
C


ATOM
1803
CG
LEU
B
20
70.528
−44.532
−31.456
1.00
62.82
MOL1
C


ATOM
1804
CD1
LEU
B
20
70.296
−45.817
−32.218
1.00
57.88
MOL1
C


ATOM
1805
CD2
LEU
B
20
70.231
−43.293
−32.299
1.00
58.37
MOL1
C


ATOM
1806
C
LEU
B
20
69.042
−43.537
−28.035
1.00
67.03
MOL1
C


ATOM
1807
O
LEU
B
20
68.948
−44.373
−27.120
1.00
61.60
MOL1
O


ATOM
1808
N
SER
B
21
68.220
−42.502
−28.177
1.00
66.77
MOL1
N


ATOM
1809
CA
SER
B
21
67.125
−42.249
−27.246
1.00
66.59
MOL1
C


ATOM
1810
CB
SER
B
21
67.440
−41.017
−26.394
1.00
72.40
MOL1
C


ATOM
1811
OG
SER
B
21
68.373
−40.165
−27.051
1.00
86.54
MOL1
O


ATOM
1812
C
SER
B
21
65.795
−42.063
−27.962
1.00
59.32
MOL1
C


ATOM
1813
O
SER
B
21
65.743
−41.647
−29.112
1.00
55.95
MOL1
O


ATOM
1814
N
CYS
B
22
64.719
−42.397
−27.269
1.00
59.26
MOL1
N


ATOM
1815
CA
CYS
B
22
63.376
−42.272
−27.823
1.00
63.35
MOL1
C


ATOM
1816
C
CYS
B
22
62.480
−41.702
−26.749
1.00
58.51
MOL1
C


ATOM
1817
O
CYS
B
22
62.360
−42.256
−25.661
1.00
55.11
MOL1
O


ATOM
1818
CB
CYS
B
22
62.822
−43.632
−28.267
1.00
70.91
MOL1
C


ATOM
1819
SG
CYS
B
22
61.092
−43.638
−28.868
1.00
69.75
MOL1
S


ATOM
1820
N
ALA
B
23
61.858
−40.581
−27.064
1.00
55.49
MOL1
N


ATOM
1821
CA
ALA
B
23
60.983
−39.923
−26.125
1.00
57.79
MOL1
C


ATOM
1822
CB
ALA
B
23
61.141
−38.430
−26.256
1.00
54.12
MOL1
C


ATOM
1823
C
ALA
B
23
59.559
−40.327
−26.438
1.00
62.28
MOL1
C


ATOM
1824
O
ALA
B
23
59.071
−40.043
−27.528
1.00
72.96
MOL1
O


ATOM
1825
N
ALA
B
24
58.892
−40.984
−25.491
1.00
59.76
MOL1
N


ATOM
1826
CA
ALA
B
24
57.515
−41.429
−25.692
1.00
55.65
MOL1
C


ATOM
1827
CB
ALA
B
24
57.333
−42.827
−25.111
1.00
55.99
MOL1
C


ATOM
1828
C
ALA
B
24
56.508
−40.474
−25.068
1.00
50.19
MOL1
C


ATOM
1829
O
ALA
B
24
56.841
−39.698
−24.178
1.00
52.13
MOL1
O


ATOM
1830
N
SER
B
25
55.271
−40.545
−25.529
1.00
45.27
MOL1
N


ATOM
1831
CA
SER
B
25
54.232
−39.683
−25.010
1.00
48.65
MOL1
C


ATOM
1832
CB
SER
B
25
54.467
−38.251
−25.461
1.00
48.57
MOL1
C


ATOM
1833
OG
SER
B
25
53.339
−37.781
−26.179
1.00
54.52
MOL1
O


ATOM
1834
C
SER
B
25
52.892
−40.144
−25.535
1.00
53.00
MOL1
C


ATOM
1835
O
SER
B
25
52.822
−40.851
−26.536
1.00
61.24
MOL1
O


ATOM
1836
N
GLY
B
26
51.822
−39.726
−24.872
1.00
54.62
MOL1
N


ATOM
1837
CA
GLY
B
26
50.494
−40.121
−25.308
1.00
54.72
MOL1
C


ATOM
1838
C
GLY
B
26
50.050
−41.474
−24.772
1.00
45.42
MOL1
C


ATOM
1839
O
GLY
B
26
49.043
−42.030
−25.212
1.00
42.66
MOL1
O


ATOM
1840
N
PHE
B
27
50.803
−42.018
−23.833
1.00
36.73
MOL1
N


ATOM
1841
CA
PHE
B
27
50.425
−43.293
−23.273
1.00
45.67
MOL1
C


ATOM
1842
CB
PHE
B
27
50.534
−44.373
−24.333
1.00
39.88
MOL1
C


ATOM
1843
CG
PHE
B
27
51.939
−44.750
−24.695
1.00
46.62
MOL1
C


ATOM
1844
CD1
PHE
B
27
52.425
−46.022
−24.404
1.00
49.24
MOL1
C


ATOM
1845
CD2
PHE
B
27
52.750
−43.875
−25.393
1.00
49.02
MOL1
C


ATOM
1846
CE1
PHE
B
27
53.688
−46.417
−24.813
1.00
49.13
MOL1
C


ATOM
1847
CE2
PHE
B
27
54.016
−44.266
−25.803
1.00
53.94
MOL1
C


ATOM
1848
CZ
PHE
B
27
54.483
−45.542
−25.514
1.00
52.90
MOL1
C


ATOM
1849
C
PHE
B
27
51.206
−43.700
−22.027
1.00
52.80
MOL1
C


ATOM
1850
O
PHE
B
27
52.308
−43.208
−21.763
1.00
56.14
MOL1
O


ATOM
1851
N
THR
B
28
50.627
−44.597
−21.244
1.00
54.92
MOL1
N


ATOM
1852
CA
THR
B
28
51.291
−45.037
−20.032
1.00
59.91
MOL1
C


ATOM
1853
CB
THR
B
28
50.313
−45.847
−19.157
1.00
65.78
MOL1
C


ATOM
1854
OG1
THR
B
28
49.272
−44.972
−18.697
1.00
66.99
MOL1
O


ATOM
1855
CG2
THR
B
28
51.030
−46.477
−17.962
1.00
65.79
MOL1
C


ATOM
1856
C
THR
B
28
52.523
−45.861
−20.388
1.00
57.46
MOL1
C


ATOM
1857
O
THR
B
28
52.479
−47.091
−20.426
1.00
54.80
MOL1
O


ATOM
1858
N
PHE
B
29
53.618
−45.153
−20.654
1.00
57.06
MOL1
N


ATOM
1859
CA
PHE
B
29
54.895
−45.759
−21.036
1.00
60.02
MOL1
C


ATOM
1860
CB
PHE
B
29
55.985
−44.676
−21.068
1.00
55.85
MOL1
C


ATOM
1861
CG
PHE
B
29
57.351
−45.190
−21.448
1.00
57.00
MOL1
C


ATOM
1862
CD1
PHE
B
29
57.749
−45.231
−22.772
1.00
55.30
MOL1
C


ATOM
1863
CD2
PHE
B
29
58.224
−45.676
−20.477
1.00
59.98
MOL1
C


ATOM
1864
CE1
PHE
B
29
58.988
−45.749
−23.121
1.00
51.86
MOL1
C


ATOM
1865
CE2
PHE
B
29
59.465
−46.197
−20.822
1.00
50.05
MOL1
C


ATOM
1866
CZ
PHE
B
29
59.843
−46.233
−22.145
1.00
50.50
MOL1
C


ATOM
1867
C
PHE
B
29
55.321
−46.885
−20.090
1.00
63.14
MOL1
C


ATOM
1868
O
PHE
B
29
55.647
−48.003
−20.518
1.00
57.84
MOL1
O


ATOM
1869
N
SER
B
30
55.318
−46.569
−18.800
1.00
68.76
MOL1
N


ATOM
1870
CA
SER
B
30
55.712
−47.506
−17.747
1.00
73.60
MOL1
C


ATOM
1871
CB
SER
B
30
55.622
−46.801
−16.378
1.00
80.60
MOL1
C


ATOM
1872
OG
SER
B
30
54.426
−46.032
−16.248
1.00
84.81
MOL1
O


ATOM
1873
C
SER
B
30
54.877
−48.782
−17.722
1.00
70.64
MOL1
C


ATOM
1874
O
SER
B
30
55.096
−49.662
−16.898
1.00
69.54
MOL1
O


ATOM
1875
N
ASP
B
31
53.937
−48.881
−18.650
1.00
71.65
MOL1
N


ATOM
1876
CA
ASP
B
31
53.034
−50.013
−18.714
1.00
70.16
MOL1
C


ATOM
1877
CB
ASP
B
31
51.620
−49.500
−18.948
1.00
77.49
MOL1
C


ATOM
1878
CG
ASP
B
31
50.622
−50.126
−18.027
1.00
88.93
MOL1
C


ATOM
1879
OD1
ASP
B
31
50.532
−51.374
−18.020
1.00
95.83
MOL1
O


ATOM
1880
OD2
ASP
B
31
49.929
−49.367
−17.310
1.00
96.84
MOL1
O


ATOM
1881
C
ASP
B
31
53.346
−51.035
−19.784
1.00
65.89
MOL1
C


ATOM
1882
O
ASP
B
31
53.055
−52.207
−19.615
1.00
67.11
MOL1
O


ATOM
1883
N
TYR
B
32
53.927
−50.599
−20.891
1.00
64.43
MOL1
N


ATOM
1884
CA
TYR
B
32
54.207
−51.522
−21.985
1.00
61.62
MOL1
C


ATOM
1885
CB
TYR
B
32
53.581
−50.999
−23.266
1.00
55.41
MOL1
C


ATOM
1886
CG
TYR
B
32
52.108
−50.796
−23.165
1.00
51.34
MOL1
C


ATOM
1887
CD1
TYR
B
32
51.230
−51.709
−23.716
1.00
49.66
MOL1
C


ATOM
1888
CE1
TYR
B
32
49.878
−51.536
−23.616
1.00
53.52
MOL1
C


ATOM
1889
CD2
TYR
B
32
51.592
−49.700
−22.506
1.00
51.65
MOL1
C


ATOM
1890
CE2
TYR
B
32
50.240
−49.522
−22.392
1.00
58.62
MOL1
C


ATOM
1891
CZ
TYR
B
32
49.384
−50.444
−22.946
1.00
58.75
MOL1
C


ATOM
1892
OH
TYR
B
32
48.026
−50.297
−22.785
1.00
70.25
MOL1
O


ATOM
1893
C
TYR
B
32
55.665
−51.785
−22.266
1.00
61.33
MOL1
C


ATOM
1894
O
TYR
B
32
56.533
−51.008
−21.877
1.00
64.82
MOL1
O


ATOM
1895
N
ASN
B
33
55.928
−52.888
−22.959
1.00
60.89
MOL1
N


ATOM
1896
CA
ASN
B
33
57.295
−53.215
−23.353
1.00
63.30
MOL1
C


ATOM
1897
CB
ASN
B
33
57.429
−54.661
−23.868
1.00
64.44
MOL1
C


ATOM
1898
CG
ASN
B
33
56.811
−55.686
−22.944
1.00
69.90
MOL1
C


ATOM
1899
OD1
ASN
B
33
56.929
−55.594
−21.722
1.00
71.26
MOL1
O


ATOM
1900
ND2
ASN
B
33
56.159
−56.692
−23.534
1.00
73.88
MOL1
N


ATOM
1901
C
ASN
B
33
57.651
−52.276
−24.519
1.00
62.16
MOL1
C


ATOM
1902
O
ASN
B
33
56.778
−51.737
−25.189
1.00
64.71
MOL1
O


ATOM
1903
N
MET
B
34
58.934
−52.086
−24.771
1.00
58.74
MOL1
N


ATOM
1904
CA
MET
B
34
59.350
−51.240
−25.869
1.00
50.90
MOL1
C


ATOM
1905
CB
MET
B
34
59.902
−49.937
−25.328
1.00
48.83
MOL1
C


ATOM
1906
CG
MET
B
34
58.863
−49.094
−24.625
1.00
47.15
MOL1
C


ATOM
1907
SD
MET
B
34
57.512
−48.641
−25.725
1.00
50.43
MOL1
S


ATOM
1908
CE
MET
B
34
58.261
−47.327
−26.794
1.00
43.83
MOL1
C


ATOM
1909
C
MET
B
34
60.414
−51.986
−26.658
1.00
52.46
MOL1
C


ATOM
1910
O
MET
B
34
61.012
−52.937
−26.158
1.00
53.36
MOL1
O


ATOM
1911
N
ALA
B
35
60.650
−51.578
−27.897
1.00
50.28
MOL1
N


ATOM
1912
CA
ALA
B
35
61.648
−52.266
−28.700
1.00
45.02
MOL1
C


ATOM
1913
CB
ALA
B
35
61.050
−53.515
−29.331
1.00
29.39
MOL1
C


ATOM
1914
C
ALA
B
35
62.235
−51.394
−29.775
1.00
48.08
MOL1
C


ATOM
1915
O
ALA
B
35
61.740
−50.296
−30.056
1.00
49.70
MOL1
O


ATOM
1916
N
TRP
B
36
63.330
−51.881
−30.351
1.00
51.88
MOL1
N


ATOM
1917
CA
TRP
B
36
63.975
−51.177
−31.443
1.00
51.95
MOL1
C


ATOM
1918
CB
TRP
B
36
65.420
−50.809
−31.130
1.00
45.10
MOL1
C


ATOM
1919
CG
TRP
B
36
65.565
−49.798
−30.057
1.00
43.87
MOL1
C


ATOM
1920
CD2
TRP
B
36
65.596
−48.378
−30.210
1.00
40.77
MOL1
C


ATOM
1921
CE2
TRP
B
36
65.788
−47.822
−28.923
1.00
45.65
MOL1
C


ATOM
1922
CE3
TRP
B
36
65.484
−47.521
−31.303
1.00
42.67
MOL1
C


ATOM
1923
CD1
TRP
B
36
65.730
−50.043
−28.729
1.00
54.15
MOL1
C


ATOM
1924
NE1
TRP
B
36
65.868
−48.861
−28.037
1.00
52.53
MOL1
N


ATOM
1925
CZ2
TRP
B
36
65.870
−46.449
−28.701
1.00
38.30
MOL1
C


ATOM
1926
CZ3
TRP
B
36
65.568
−46.151
−31.084
1.00
45.99
MOL1
C


ATOM
1927
CH2
TRP
B
36
65.759
−45.631
−29.789
1.00
42.88
MOL1
C


ATOM
1928
C
TRP
B
36
63.934
−52.117
−32.623
1.00
49.95
MOL1
C


ATOM
1929
O
TRP
B
36
64.092
−53.334
−32.475
1.00
45.55
MOL1
O


ATOM
1930
N
VAL
B
37
63.687
−51.540
−33.788
1.00
46.39
MOL1
N


ATOM
1931
CA
VAL
B
37
63.617
−52.298
−35.013
1.00
47.88
MOL1
C


ATOM
1932
CB
VAL
B
37
62.169
−52.400
−35.492
1.00
41.67
MOL1
C


ATOM
1933
CG1
VAL
B
37
62.065
−53.324
−36.663
1.00
41.23
MOL1
C


ATOM
1934
CG2
VAL
B
37
61.320
−52.898
−34.384
1.00
41.38
MOL1
C


ATOM
1935
C
VAL
B
37
64.427
−51.461
−35.975
1.00
52.48
MOL1
C


ATOM
1936
O
VAL
B
37
64.256
−50.241
−36.035
1.00
55.74
MOL1
O


ATOM
1937
N
ARG
B
38
65.316
−52.105
−36.718
1.00
52.27
MOL1
N


ATOM
1938
CA
ARG
B
38
66.165
−51.393
−37.664
1.00
52.32
MOL1
C


ATOM
1939
CB
ARG
B
38
67.613
−51.778
−37.423
1.00
59.42
MOL1
C


ATOM
1940
CG
ARG
B
38
67.768
−53.293
−37.331
1.00
64.80
MOL1
C


ATOM
1941
CD
ARG
B
38
69.102
−53.780
−37.846
1.00
65.87
MOL1
C


ATOM
1942
NE
ARG
B
38
70.211
−53.258
−37.064
1.00
69.65
MOL1
N


ATOM
1943
CZ
ARG
B
38
71.243
−53.996
−36.676
1.00
76.35
MOL1
C


ATOM
1944
NH1
ARG
B
38
71.299
−55.286
−36.997
1.00
78.10
MOL1
N


ATOM
1945
NH2
ARG
B
38
72.220
−53.444
−35.975
1.00
80.15
MOL1
N


ATOM
1946
C
ARG
B
38
65.814
−51.761
−39.086
1.00
49.40
MOL1
C


ATOM
1947
O
ARG
B
38
65.183
−52.799
−39.333
1.00
48.23
MOL1
O


ATOM
1948
N
GLN
B
39
66.260
−50.924
−40.019
1.00
44.75
MOL1
N


ATOM
1949
CA
GLN
B
39
66.027
−51.157
−41.438
1.00
43.64
MOL1
C


ATOM
1950
CB
GLN
B
39
64.729
−50.505
−41.854
1.00
41.38
MOL1
C


ATOM
1951
CG
GLN
B
39
64.449
−50.506
−43.329
1.00
34.67
MOL1
C


ATOM
1952
CD
GLN
B
39
63.095
−49.913
−43.611
1.00
42.91
MOL1
C


ATOM
1953
OE1
GLN
B
39
62.779
−48.805
−43.156
1.00
43.88
MOL1
O


ATOM
1954
NE2
GLN
B
39
62.278
−50.642
−44.356
1.00
43.01
MOL1
N


ATOM
1955
C
GLN
B
39
67.160
−50.599
−42.279
1.00
47.48
MOL1
C


ATOM
1956
O
GLN
B
39
67.243
−49.390
−42.496
1.00
44.38
MOL1
O


ATOM
1957
N
ALA
B
40
68.029
−51.489
−42.751
1.00
52.72
MOL1
N


ATOM
1958
CA
ALA
B
40
69.166
−51.097
−43.577
1.00
57.93
MOL1
C


ATOM
1959
CB
ALA
B
40
70.051
−52.286
−43.815
1.00
60.62
MOL1
C


ATOM
1960
C
ALA
B
40
68.715
−50.525
−44.909
1.00
64.10
MOL1
C


ATOM
1961
O
ALA
B
40
67.752
−51.001
−45.507
1.00
71.54
MOL1
O


ATOM
1962
N
PRO
B
41
69.427
−49.510
−45.411
1.00
66.71
MOL1
N


ATOM
1963
CD
PRO
B
41
70.733
−49.035
−44.936
1.00
66.97
MOL1
C


ATOM
1964
CA
PRO
B
41
69.084
−48.877
−46.687
1.00
71.95
MOL1
C


ATOM
1965
CB
PRO
B
41
70.376
−48.181
−47.081
1.00
65.76
MOL1
C


ATOM
1966
CG
PRO
B
41
70.933
−47.794
−45.769
1.00
69.20
MOL1
C


ATOM
1967
C
PRO
B
41
68.642
−49.890
−47.732
1.00
77.48
MOL1
C


ATOM
1968
O
PRO
B
41
69.321
−50.889
−47.968
1.00
80.43
MOL1
O


ATOM
1969
N
GLY
B
42
67.492
−49.633
−48.341
1.00
82.42
MOL1
N


ATOM
1970
CA
GLY
B
42
66.977
−50.529
−49.357
1.00
82.41
MOL1
C


ATOM
1971
C
GLY
B
42
66.426
−51.829
−48.809
1.00
79.86
MOL1
C


ATOM
1972
O
GLY
B
42
65.435
−52.347
−49.323
1.00
81.14
MOL1
O


ATOM
1973
N
LYS
B
43
67.053
−52.351
−47.760
1.00
75.67
MOL1
N


ATOM
1974
CA
LYS
B
43
66.620
−53.609
−47.167
1.00
78.61
MOL1
C


ATOM
1975
CB
LYS
B
43
67.745
−54.174
−46.297
1.00
87.21
MOL1
C


ATOM
1976
CG
LYS
B
43
69.005
−54.545
−47.080
1.00
100.19
MOL1
C


ATOM
1977
CD
LYS
B
43
69.995
−55.315
−46.201
1.00
112.51
MOL1
C


ATOM
1978
CE
LYS
B
43
69.365
−56.593
−45.627
1.00
117.15
MOL1
C


ATOM
1979
NZ
LYS
B
43
70.287
−57.328
−44.705
1.00
117.37
MOL1
N


ATOM
1980
C
LYS
B
43
65.306
−53.582
−46.367
1.00
73.40
MOL1
C


ATOM
1981
O
LYS
B
43
64.650
−52.543
−46.241
1.00
68.85
MOL1
O


ATOM
1982
N
GLY
B
44
64.939
−54.747
−45.835
1.00
67.59
MOL1
N


ATOM
1983
CA
GLY
B
44
63.712
−54.886
−45.071
1.00
65.22
MOL1
C


ATOM
1984
C
GLY
B
44
63.781
−54.467
−43.614
1.00
64.36
MOL1
C


ATOM
1985
O
GLY
B
44
64.568
−53.594
−43.251
1.00
70.41
MOL1
O


ATOM
1986
N
LEU
B
45
62.960
−55.083
−42.768
1.00
56.81
MOL1
N


ATOM
1987
CA
LEU
B
45
62.943
−54.720
−41.357
1.00
51.84
MOL1
C


ATOM
1988
CB
LEU
B
45
61.515
−54.395
−40.893
1.00
47.66
MOL1
C


ATOM
1989
CG
LEU
B
45
60.686
−53.353
−41.671
1.00
49.11
MOL1
C


ATOM
1990
CD1
LEU
B
45
59.243
−53.418
−41.213
1.00
41.70
MOL1
C


ATOM
1991
CD2
LEU
B
45
61.229
−51.951
−41.487
1.00
34.18
MOL1
C


ATOM
1992
C
LEU
B
45
63.511
−55.831
−40.505
1.00
55.33
MOL1
C


ATOM
1993
O
LEU
B
45
63.154
−57.000
−40.665
1.00
59.00
MOL1
O


ATOM
1994
N
GLU
B
46
64.400
−55.452
−39.593
1.00
57.69
MOL1
N


ATOM
1995
CA
GLU
B
46
65.052
−56.404
−38.697
1.00
61.86
MOL1
C


ATOM
1996
CB
GLU
B
46
66.557
−56.435
−38.971
1.00
75.49
MOL1
C


ATOM
1997
CG
GLU
B
46
67.313
−57.598
−38.340
1.00
87.36
MOL1
C


ATOM
1998
CD
GLU
B
46
68.743
−57.703
−38.864
1.00
92.97
MOL1
C


ATOM
1999
OE1
GLU
B
46
69.650
−57.057
−38.286
1.00
94.73
MOL1
O


ATOM
2000
OE2
GLU
B
46
68.951
−58.423
−39.869
1.00
93.69
MOL1
O


ATOM
2001
C
GLU
B
46
64.819
−55.955
−37.277
1.00
58.22
MOL1
C


ATOM
2002
O
GLU
B
46
64.976
−54.773
−36.965
1.00
53.10
MOL1
O


ATOM
2003
N
TRP
B
47
64.443
−56.895
−36.419
1.00
57.07
MOL1
N


ATOM
2004
CA
TRP
B
47
64.180
−56.569
−35.026
1.00
60.27
MOL1
C


ATOM
2005
CB
TRP
B
47
63.291
−57.625
−34.381
1.00
57.30
MOL1
C


ATOM
2006
CG
TRP
B
47
63.340
−57.537
−32.911
1.00
57.43
MOL1
C


ATOM
2007
CD2
TRP
B
47
63.840
−58.524
−32.010
1.00
64.30
MOL1
C


ATOM
2008
CE2
TRP
B
47
63.765
−57.983
−30.715
1.00
68.83
MOL1
C


ATOM
2009
CE3
TRP
B
47
64.348
−59.813
−32.172
1.00
69.52
MOL1
C


ATOM
2010
CD1
TRP
B
47
62.988
−56.474
−32.153
1.00
64.23
MOL1
C


ATOM
2011
NE1
TRP
B
47
63.238
−56.727
−30.828
1.00
68.28
MOL1
N


ATOM
2012
CZ2
TRP
B
47
64.180
−58.683
−29.592
1.00
69.21
MOL1
C


ATOM
2013
CZ3
TRP
B
47
64.758
−60.507
−31.057
1.00
69.35
MOL1
C


ATOM
2014
CH2
TRP
B
47
64.673
−59.941
−29.784
1.00
72.43
MOL1
C


ATOM
2015
C
TRP
B
47
65.480
−56.507
−34.259
1.00
60.65
MOL1
C


ATOM
2016
O
TRP
B
47
66.271
−57.434
−34.327
1.00
69.26
MOL1
O


ATOM
2017
N
VAL
B
48
65.706
−55.426
−33.527
1.00
58.46
MOL1
N


ATOM
2018
CA
VAL
B
48
66.940
−55.305
−32.764
1.00
55.72
MOL1
C


ATOM
2019
CB
VAL
B
48
67.389
−53.849
−32.644
1.00
48.84
MOL1
C


ATOM
2020
CG1
VAL
B
48
68.417
−53.724
−31.552
1.00
42.05
MOL1
C


ATOM
2021
CG2
VAL
B
48
67.972
−53.385
−33.969
1.00
38.51
MOL1
C


ATOM
2022
C
VAL
B
48
66.787
−55.889
−31.378
1.00
59.88
MOL1
C


ATOM
2023
O
VAL
B
48
67.259
−56.986
−31.117
1.00
66.07
MOL1
O


ATOM
2024
N
ALA
B
49
66.124
−55.168
−30.485
1.00
64.15
MOL1
N


ATOM
2025
CA
ALA
B
49
65.933
−55.677
−29.136
1.00
68.80
MOL1
C


ATOM
2026
CB
ALA
B
49
67.142
−55.348
−28.286
1.00
67.97
MOL1
C


ATOM
2027
C
ALA
B
49
64.680
−55.095
−28.506
1.00
73.99
MOL1
C


ATOM
2028
O
ALA
B
49
64.124
−54.106
−29.007
1.00
75.88
MOL1
O


ATOM
2029
N
THR
B
50
64.234
−55.727
−27.420
1.00
73.72
MOL1
N


ATOM
2030
CA
THR
B
50
63.061
−55.266
−26.675
1.00
70.84
MOL1
C


ATOM
2031
CB
THR
B
50
61.765
−56.065
−27.022
1.00
70.46
MOL1
C


ATOM
2032
OG1
THR
B
50
61.053
−56.353
−25.812
1.00
66.20
MOL1
O


ATOM
2033
CG2
THR
B
50
62.084
−57.352
−27.765
1.00
63.45
MOL1
C


ATOM
2034
C
THR
B
50
63.330
−55.371
−25.179
1.00
64.29
MOL1
C


ATOM
2035
O
THR
B
50
64.051
−56.257
−24.739
1.00
66.34
MOL1
O


ATOM
2036
N
ILE
B
51
62.750
−54.450
−24.418
1.00
59.03
MOL1
N


ATOM
2037
CA
ILE
B
51
62.903
−54.368
−22.964
1.00
60.21
MOL1
C


ATOM
2038
CB
ILE
B
51
63.628
−53.059
−22.574
1.00
63.37
MOL1
C


ATOM
2039
CG2
ILE
B
51
62.886
−51.870
−23.158
1.00
67.01
MOL1
C


ATOM
2040
CG1
ILE
B
51
63.689
−52.880
−21.056
1.00
60.34
MOL1
C


ATOM
2041
CD1
ILE
B
51
64.217
−51.500
−20.639
1.00
42.72
MOL1
C


ATOM
2042
C
ILE
B
51
61.511
−54.318
−22.358
1.00
63.16
MOL1
C


ATOM
2043
O
ILE
B
51
60.637
−53.651
−22.894
1.00
68.58
MOL1
O


ATOM
2044
N
THR
B
52
61.309
−54.984
−21.229
1.00
64.43
MOL1
N


ATOM
2045
CA
THR
B
52
59.999
−55.014
−20.588
1.00
66.52
MOL1
C


ATOM
2046
CB
THR
B
52
59.940
−56.170
−19.640
1.00
63.07
MOL1
C


ATOM
2047
OG1
THR
B
52
60.431
−57.338
−20.311
1.00
58.32
MOL1
O


ATOM
2048
CG2
THR
B
52
58.517
−56.403
−19.208
1.00
71.39
MOL1
C


ATOM
2049
C
THR
B
52
59.593
−53.743
−19.841
1.00
71.53
MOL1
C


ATOM
2050
O
THR
B
52
60.427
−52.898
−19.546
1.00
74.19
MOL1
O


ATOM
2051
N
TYR
B
53
58.308
−53.613
−19.526
1.00
77.80
MOL1
N


ATOM
2052
CA
TYR
B
53
57.826
−52.418
−18.845
1.00
85.35
MOL1
C


ATOM
2053
CB
TYR
B
53
56.298
−52.455
−18.698
1.00
88.65
MOL1
C


ATOM
2054
CG
TYR
B
53
55.755
−53.391
−17.635
1.00
96.94
MOL1
C


ATOM
2055
CD1
TYR
B
53
55.856
−54.774
−17.766
1.00
100.45
MOL1
C


ATOM
2056
CE1
TYR
B
53
55.303
−55.628
−16.816
1.00
103.92
MOL1
C


ATOM
2057
CD2
TYR
B
53
55.091
−52.887
−16.518
1.00
101.50
MOL1
C


ATOM
2058
CE2
TYR
B
53
54.537
−53.728
−15.567
1.00
105.53
MOL1
C


ATOM
2059
CZ
TYR
B
53
54.643
−55.096
−15.721
1.00
107.84
MOL1
C


ATOM
2060
OH
TYR
B
53
54.066
−55.928
−14.785
1.00
112.40
MOL1
O


ATOM
2061
C
TYR
B
53
58.476
−52.148
−17.492
1.00
89.73
MOL1
C


ATOM
2062
O
TYR
B
53
58.895
−51.020
−17.227
1.00
85.91
MOL1
O


ATOM
2063
N
GLU
B
54
58.555
−53.174
−16.644
1.00
95.57
MOL1
N


ATOM
2064
CA
GLU
B
54
59.158
−53.054
−15.315
1.00
96.04
MOL1
C


ATOM
2065
CB
GLU
B
54
59.150
−54.406
−14.616
1.00
96.47
MOL1
C


ATOM
2066
CG
GLU
B
54
59.909
−55.466
−15.386
1.00
102.64
MOL1
C


ATOM
2067
CD
GLU
B
54
59.069
−56.704
−15.648
1.00
109.60
MOL1
C


ATOM
2068
OE1
GLU
B
54
59.569
−57.620
−16.343
1.00
110.56
MOL1
O


ATOM
2069
OE2
GLU
B
54
57.913
−56.763
−15.160
1.00
106.82
MOL1
O


ATOM
2070
C
GLU
B
54
60.592
−52.579
−15.476
1.00
97.62
MOL1
C


ATOM
2071
O
GLU
B
54
61.138
−51.884
−14.620
1.00
96.02
MOL1
O


ATOM
2072
N
GLY
B
55
61.201
−52.970
−16.586
1.00
98.19
MOL1
N


ATOM
2073
CA
GLY
B
55
62.557
−52.552
−16.849
1.00
98.16
MOL1
C


ATOM
2074
C
GLY
B
55
63.572
−53.608
−16.510
1.00
99.02
MOL1
C


ATOM
2075
O
GLY
B
55
64.768
−53.349
−16.574
1.00
99.87
MOL1
O


ATOM
2076
N
ARG
B
56
63.117
−54.801
−16.151
1.00
102.67
MOL1
N


ATOM
2077
CA
ARG
B
56
64.071
−55.846
−15.815
1.00
109.99
MOL1
C


ATOM
2078
CB
ARG
B
56
64.027
−56.143
−14.310
1.00
120.09
MOL1
C


ATOM
2079
CG
ARG
B
56
65.396
−56.531
−13.704
1.00
131.53
MOL1
C


ATOM
2080
CD
ARG
B
56
66.519
−55.506
−14.023
1.00
138.72
MOL1
C


ATOM
2081
NE
ARG
B
56
66.268
−54.159
−13.493
1.00
142.56
MOL1
N


ATOM
2082
CZ
ARG
B
56
67.086
−53.117
−13.654
1.00
140.61
MOL1
C


ATOM
2083
NH1
ARG
B
56
68.219
−53.255
−14.331
1.00
139.77
MOL1
N


ATOM
2084
NH2
ARG
B
56
66.767
−51.932
−13.145
1.00
137.84
MOL1
N


ATOM
2085
C
ARG
B
56
63.876
−57.122
−16.625
1.00
107.40
MOL1
C


ATOM
2086
O
ARG
B
56
63.302
−58.099
−16.150
1.00
105.77
MOL1
O


ATOM
2087
N
ASN
B
57
64.370
−57.075
−17.859
1.00
106.30
MOL1
N


ATOM
2088
CA
ASN
B
57
64.330
−58.175
−18.819
1.00
103.13
MOL1
C


ATOM
2089
CB
ASN
B
57
63.020
−58.954
−18.735
1.00
109.31
MOL1
C


ATOM
2090
CG
ASN
B
57
63.171
−60.237
−17.943
1.00
116.48
MOL1
C


ATOM
2091
OD1
ASN
B
57
64.056
−61.055
−18.226
1.00
119.17
MOL1
O


ATOM
2092
ND2
ASN
B
57
62.312
−60.424
−16.946
1.00
119.65
MOL1
N


ATOM
2093
C
ASN
B
57
64.532
−57.641
−20.229
1.00
97.02
MOL1
C


ATOM
2094
O
ASN
B
57
63.639
−57.047
−20.824
1.00
94.31
MOL1
O


ATOM
2095
N
THR
B
58
65.735
−57.858
−20.742
1.00
91.48
MOL1
N


ATOM
2096
CA
THR
B
58
66.122
−57.406
−22.063
1.00
88.47
MOL1
C


ATOM
2097
CB
THR
B
58
67.462
−56.667
−21.981
1.00
89.89
MOL1
C


ATOM
2098
OG1
THR
B
58
68.491
−57.583
−21.580
1.00
90.62
MOL1
O


ATOM
2099
CG2
THR
B
58
67.375
−55.537
−20.956
1.00
86.04
MOL1
C


ATOM
2100
C
THR
B
58
66.273
−58.637
−22.939
1.00
87.58
MOL1
C


ATOM
2101
O
THR
B
58
66.523
−59.723
−22.418
1.00
86.67
MOL1
O


ATOM
2102
N
TYR
B
59
66.140
−58.487
−24.257
1.00
86.81
MOL1
N


ATOM
2103
CA
TYR
B
59
66.252
−59.657
−25.112
1.00
92.72
MOL1
C


ATOM
2104
CB
TYR
B
59
64.872
−60.004
−25.665
1.00
94.05
MOL1
C


ATOM
2105
CG
TYR
B
59
63.975
−60.556
−24.578
1.00
101.13
MOL1
C


ATOM
2106
CD1
TYR
B
59
63.472
−59.727
−23.579
1.00
103.97
MOL1
C


ATOM
2107
CE1
TYR
B
59
62.746
−60.238
−22.511
1.00
104.73
MOL1
C


ATOM
2108
CD2
TYR
B
59
63.715
−61.923
−24.485
1.00
103.68
MOL1
C


ATOM
2109
CE2
TYR
B
59
62.986
−62.446
−23.418
1.00
105.50
MOL1
C


ATOM
2110
CZ
TYR
B
59
62.508
−61.595
−22.433
1.00
106.12
MOL1
C


ATOM
2111
OH
TYR
B
59
61.816
−62.095
−21.352
1.00
105.21
MOL1
O


ATOM
2112
C
TYR
B
59
67.311
−59.689
−26.214
1.00
93.91
MOL1
C


ATOM
2113
O
TYR
B
59
68.066
−60.661
−26.304
1.00
101.59
MOL1
O


ATOM
2114
N
TYR
B
60
67.376
−58.661
−27.052
1.00
86.78
MOL1
N


ATOM
2115
CA
TYR
B
60
68.381
−58.608
−28.123
1.00
81.63
MOL1
C


ATOM
2116
CB
TYR
B
60
69.795
−58.542
−27.542
1.00
68.64
MOL1
C


ATOM
2117
CG
TYR
B
60
69.995
−57.478
−26.506
1.00
59.84
MOL1
C


ATOM
2118
CD1
TYR
B
60
69.653
−57.705
−25.181
1.00
59.97
MOL1
C


ATOM
2119
CE1
TYR
B
60
69.802
−56.716
−24.225
1.00
65.05
MOL1
C


ATOM
2120
CD2
TYR
B
60
70.496
−56.235
−26.852
1.00
57.42
MOL1
C


ATOM
2121
CE2
TYR
B
60
70.644
−55.235
−25.908
1.00
60.53
MOL1
C


ATOM
2122
CZ
TYR
B
60
70.294
−55.477
−24.595
1.00
65.79
MOL1
C


ATOM
2123
OH
TYR
B
60
70.397
−54.476
−23.654
1.00
66.07
MOL1
O


ATOM
2124
C
TYR
B
60
68.372
−59.717
−29.183
1.00
83.30
MOL1
C


ATOM
2125
O
TYR
B
60
67.950
−60.850
−28.948
1.00
83.74
MOL1
O


ATOM
2126
N
ARG
B
61
68.887
−59.354
−30.351
1.00
85.06
MOL1
N


ATOM
2127
CA
ARG
B
61
68.987
−60.229
−31.507
1.00
89.57
MOL1
C


ATOM
2128
CB
ARG
B
61
68.883
−59.366
−32.775
1.00
87.91
MOL1
C


ATOM
2129
CG
ARG
B
61
68.986
−60.104
−34.100
1.00
89.71
MOL1
C


ATOM
2130
CD
ARG
B
61
68.604
−59.191
−35.265
1.00
91.21
MOL1
C


ATOM
2131
NE
ARG
B
61
68.150
−59.964
−36.418
1.00
95.41
MOL1
N


ATOM
2132
CZ
ARG
B
61
68.957
−60.493
−37.334
1.00
100.00
MOL1
C


ATOM
2133
NH1
ARG
B
61
70.271
−60.318
−37.239
1.00
101.90
MOL1
N


ATOM
2134
NH2
ARG
B
61
68.457
−61.222
−38.326
1.00
96.25
MOL1
N


ATOM
2135
C
ARG
B
61
70.339
−60.938
−31.462
1.00
94.03
MOL1
C


ATOM
2136
O
ARG
B
61
71.350
−60.324
−31.129
1.00
97.78
MOL1
O


ATOM
2137
N
ASP
B
62
70.369
−62.225
−31.784
1.00
96.51
MOL1
N


ATOM
2138
CA
ASP
B
62
71.633
−62.952
−31.779
1.00
97.02
MOL1
C


ATOM
2139
CB
ASP
B
62
71.390
−64.447
−32.022
1.00
107.96
MOL1
C


ATOM
2140
CG
ASP
B
62
71.171
−65.232
−30.728
1.00
114.45
MOL1
C


ATOM
2141
OD1
ASP
B
62
70.495
−64.717
−29.805
1.00
115.26
MOL1
O


ATOM
2142
OD2
ASP
B
62
71.672
−66.376
−30.644
1.00
115.30
MOL1
O


ATOM
2143
C
ASP
B
62
72.497
−62.382
−32.888
1.00
92.57
MOL1
C


ATOM
2144
O
ASP
B
62
72.675
−63.016
−33.921
1.00
96.14
MOL1
O


ATOM
2145
N
SER
B
63
73.023
−61.181
−32.674
1.00
86.96
MOL1
N


ATOM
2146
CA
SER
B
63
73.854
−60.516
−33.673
1.00
87.32
MOL1
C


ATOM
2147
CB
SER
B
63
73.075
−60.284
−34.977
1.00
91.29
MOL1
C


ATOM
2148
OG
SER
B
63
72.923
−61.474
−35.742
1.00
96.02
MOL1
O


ATOM
2149
C
SER
B
63
74.340
−59.177
−33.161
1.00
85.60
MOL1
C


ATOM
2150
O
SER
B
63
75.072
−58.469
−33.850
1.00
86.71
MOL1
O


ATOM
2151
N
VAL
B
64
73.913
−58.823
−31.957
1.00
83.68
MOL1
N


ATOM
2152
CA
VAL
B
64
74.314
−57.565
−31.355
1.00
88.45
MOL1
C


ATOM
2153
CB
VAL
B
64
73.353
−56.437
−31.692
1.00
88.13
MOL1
C


ATOM
2154
CG1
VAL
B
64
73.352
−56.179
−33.179
1.00
94.20
MOL1
C


ATOM
2155
CG2
VAL
B
64
71.963
−56.788
−31.200
1.00
91.56
MOL1
C


ATOM
2156
C
VAL
B
64
74.305
−57.719
−29.858
1.00
92.93
MOL1
C


ATOM
2157
O
VAL
B
64
74.251
−56.726
−29.127
1.00
91.76
MOL1
O


ATOM
2158
N
LYS
B
65
74.342
−58.966
−29.398
1.00
99.29
MOL1
N


ATOM
2159
CA
LYS
B
65
74.343
−59.222
−27.962
1.00
104.57
MOL1
C


ATOM
2160
CB
LYS
B
65
74.088
−60.702
−27.656
1.00
104.76
MOL1
C


ATOM
2161
CG
LYS
B
65
73.871
−60.958
−26.173
1.00
110.85
MOL1
C


ATOM
2162
CD
LYS
B
65
73.555
−62.413
−25.871
1.00
117.47
MOL1
C


ATOM
2163
CE
LYS
B
65
73.388
−62.625
−24.367
1.00
119.04
MOL1
C


ATOM
2164
NZ
LYS
B
65
73.094
−64.045
−24.021
1.00
118.64
MOL1
N


ATOM
2165
C
LYS
B
65
75.684
−58.793
−27.376
1.00
104.37
MOL1
C


ATOM
2166
O
LYS
B
65
76.731
−58.921
−28.021
1.00
103.03
MOL1
O


ATOM
2167
N
GLY
B
66
75.646
−58.274
−26.154
1.00
102.25
MOL1
N


ATOM
2168
CA
GLY
B
66
76.865
−57.819
−25.520
1.00
101.34
MOL1
C


ATOM
2169
C
GLY
B
66
77.301
−56.469
−26.061
1.00
100.26
MOL1
C


ATOM
2170
O
GLY
B
66
77.736
−55.601
−25.293
1.00
102.10
MOL1
O


ATOM
2171
N
ARG
B
67
77.177
−56.288
−27.377
1.00
94.56
MOL1
N


ATOM
2172
CA
ARG
B
67
77.562
−55.039
−28.037
1.00
91.19
MOL1
C


ATOM
2173
CB
ARG
B
67
77.781
−55.274
−29.532
1.00
92.23
MOL1
C


ATOM
2174
CG
ARG
B
67
78.604
−56.509
−29.831
1.00
96.75
MOL1
C


ATOM
2175
CD
ARG
B
67
79.057
−56.587
−31.285
1.00
97.01
MOL1
C


ATOM
2176
NE
ARG
B
67
77.961
−56.587
−32.252
1.00
92.98
MOL1
N


ATOM
2177
CZ
ARG
B
67
77.561
−55.515
−32.927
1.00
90.72
MOL1
C


ATOM
2178
NH1
ARG
B
67
76.560
−55.610
−33.789
1.00
92.03
MOL1
N


ATOM
2179
NH2
ARG
B
67
78.165
−54.348
−32.746
1.00
87.27
MOL1
N


ATOM
2180
C
ARG
B
67
76.520
−53.937
−27.842
1.00
89.64
MOL1
C


ATOM
2181
O
ARG
B
67
76.863
−52.764
−27.696
1.00
82.64
MOL1
O


ATOM
2182
N
PHE
B
68
75.245
−54.315
−27.853
1.00
90.14
MOL1
N


ATOM
2183
CA
PHE
B
68
74.174
−53.345
−27.653
1.00
88.75
MOL1
C


ATOM
2184
CB
PHE
B
68
73.011
−53.548
−28.633
1.00
93.55
MOL1
C


ATOM
2185
CG
PHE
B
68
73.251
−53.011
−30.017
1.00
93.67
MOL1
C


ATOM
2186
CD1
PHE
B
68
74.102
−51.950
−30.237
1.00
92.74
MOL1
C


ATOM
2187
CD2
PHE
B
68
72.587
−53.558
−31.099
1.00
91.80
MOL1
C


ATOM
2188
CE1
PHE
B
68
74.280
−51.455
−31.512
1.00
92.25
MOL1
C


ATOM
2189
CE2
PHE
B
68
72.766
−53.062
−32.366
1.00
91.38
MOL1
C


ATOM
2190
CZ
PHE
B
68
73.613
−52.009
−32.573
1.00
91.73
MOL1
C


ATOM
2191
C
PHE
B
68
73.609
−53.489
−26.255
1.00
86.27
MOL1
C


ATOM
2192
O
PHE
B
68
73.826
−54.497
−25.580
1.00
85.81
MOL1
O


ATOM
2193
N
THR
B
69
72.862
−52.475
−25.839
1.00
82.42
MOL1
N


ATOM
2194
CA
THR
B
69
72.224
−52.481
−24.534
1.00
85.27
MOL1
C


ATOM
2195
CB
THR
B
69
73.225
−52.072
−23.422
1.00
89.83
MOL1
C


ATOM
2196
OG1
THR
B
69
74.120
−53.164
−23.171
1.00
91.62
MOL1
O


ATOM
2197
CG2
THR
B
69
72.494
−51.712
−22.127
1.00
88.90
MOL1
C


ATOM
2198
C
THR
B
69
70.993
−51.571
−24.512
1.00
84.21
MOL1
C


ATOM
2199
O
THR
B
69
71.096
−50.352
−24.666
1.00
84.76
MOL1
O


ATOM
2200
N
ILE
B
70
69.822
−52.180
−24.333
1.00
81.35
MOL1
N


ATOM
2201
CA
ILE
B
70
68.563
−51.442
−24.291
1.00
77.85
MOL1
C


ATOM
2202
CB
ILE
B
70
67.428
−52.236
−24.926
1.00
77.51
MOL1
C


ATOM
2203
CG2
ILE
B
70
67.296
−53.573
−24.230
1.00
65.98
MOL1
C


ATOM
2204
CG1
ILE
B
70
66.131
−51.420
−24.857
1.00
78.19
MOL1
C


ATOM
2205
CD1
ILE
B
70
64.973
−52.037
−25.623
1.00
80.92
MOL1
C


ATOM
2206
C
ILE
B
70
68.159
−51.120
−22.862
1.00
78.88
MOL1
C


ATOM
2207
O
ILE
B
70
68.299
−51.946
−21.964
1.00
78.72
MOL1
O


ATOM
2208
N
SER
B
71
67.629
−49.923
−22.656
1.00
79.84
MOL1
N


ATOM
2209
CA
SER
B
71
67.240
−49.507
−21.318
1.00
81.01
MOL1
C


ATOM
2210
CB
SER
B
71
68.453
−48.931
−20.618
1.00
85.85
MOL1
C


ATOM
2211
OG
SER
B
71
68.959
−47.846
−21.380
1.00
88.29
MOL1
O


ATOM
2212
C
SER
B
71
66.149
−48.450
−21.343
1.00
81.45
MOL1
C


ATOM
2213
O
SER
B
71
65.978
−47.756
−22.342
1.00
83.47
MOL1
O


ATOM
2214
N
ARG
B
72
65.424
−48.311
−20.235
1.00
79.53
MOL1
N


ATOM
2215
CA
ARG
B
72
64.360
−47.312
−20.156
1.00
75.39
MOL1
C


ATOM
2216
CB
ARG
B
72
62.994
−47.955
−20.366
1.00
74.44
MOL1
C


ATOM
2217
CG
ARG
B
72
62.578
−48.879
−19.254
1.00
72.98
MOL1
C


ATOM
2218
CD
ARG
B
72
61.431
−49.766
−19.681
1.00
73.00
MOL1
C


ATOM
2219
NE
ARG
B
72
60.224
−49.014
−20.004
1.00
74.85
MOL1
N


ATOM
2220
CZ
ARG
B
72
59.201
−49.538
−20.670
1.00
79.77
MOL1
C


ATOM
2221
NH1
ARG
B
72
59.263
−50.803
−21.070
1.00
79.23
MOL1
N


ATOM
2222
NH2
ARG
B
72
58.128
−48.807
−20.944
1.00
76.87
MOL1
N


ATOM
2223
C
ARG
B
72
64.368
−46.587
−18.826
1.00
73.41
MOL1
C


ATOM
2224
O
ARG
B
72
65.080
−46.979
−17.904
1.00
73.02
MOL1
O


ATOM
2225
N
ASP
B
73
63.554
−45.539
−18.740
1.00
74.36
MOL1
N


ATOM
2226
CA
ASP
B
73
63.448
−44.701
−17.550
1.00
81.05
MOL1
C


ATOM
2227
CB
ASP
B
73
63.675
−43.243
−17.955
1.00
83.64
MOL1
C


ATOM
2228
CG
ASP
B
73
64.128
−42.366
−16.797
1.00
92.05
MOL1
C


ATOM
2229
OD1
ASP
B
73
64.058
−41.122
−16.932
1.00
94.63
MOL1
O


ATOM
2230
OD2
ASP
B
73
64.569
−42.909
−15.760
1.00
96.29
MOL1
O


ATOM
2231
C
ASP
B
73
62.082
−44.815
−16.854
1.00
86.43
MOL1
C


ATOM
2232
O
ASP
B
73
62.000
−44.913
−15.622
1.00
92.37
MOL1
O


ATOM
2233
N
ASN
B
74
61.016
−44.798
−17.648
1.00
86.94
MOL1
N


ATOM
2234
CA
ASN
B
74
59.648
−44.868
−17.138
1.00
85.28
MOL1
C


ATOM
2235
CB
ASN
B
74
59.461
−45.995
−16.123
1.00
85.17
MOL1
C


ATOM
2236
CG
ASN
B
74
59.699
−47.366
−16.723
1.00
88.63
MOL1
C


ATOM
2237
OD1
ASN
B
74
60.796
−47.914
−16.624
1.00
91.67
MOL1
O


ATOM
2238
ND2
ASN
B
74
58.676
−47.925
−17.357
1.00
89.10
MOL1
N


ATOM
2239
C
ASN
B
74
59.337
−43.538
−16.493
1.00
87.31
MOL1
C


ATOM
2240
O
ASN
B
74
58.180
−43.192
−16.275
1.00
89.89
MOL1
O


ATOM
2241
N
ALA
B
75
60.389
−42.806
−16.164
1.00
90.07
MOL1
N


ATOM
2242
CA
ALA
B
75
60.256
−41.469
−15.611
1.00
92.90
MOL1
C


ATOM
2243
CB
ALA
B
75
61.235
−41.264
−14.466
1.00
92.92
MOL1
C


ATOM
2244
C
ALA
B
75
60.701
−40.707
−16.850
1.00
96.53
MOL1
C


ATOM
2245
O
ALA
B
75
61.474
−41.246
−17.651
1.00
95.38
MOL1
O


ATOM
2246
N
LYS
B
76
60.212
−39.489
−17.051
1.00
98.10
MOL1
N


ATOM
2247
CA
LYS
B
76
60.616
−38.745
−18.247
1.00
102.03
MOL1
C


ATOM
2248
CB
LYS
B
76
62.130
−38.474
−18.242
1.00
108.64
MOL1
C


ATOM
2249
CG
LYS
B
76
62.651
−37.617
−17.097
1.00
119.35
MOL1
C


ATOM
2250
CD
LYS
B
76
64.154
−37.329
−17.254
1.00
121.07
MOL1
C


ATOM
2251
CE
LYS
B
76
64.445
−36.455
−18.478
1.00
122.47
MOL1
C


ATOM
2252
NZ
LYS
B
76
65.893
−36.117
−18.612
1.00
120.70
MOL1
N


ATOM
2253
C
LYS
B
76
60.284
−39.513
−19.541
1.00
98.96
MOL1
C


ATOM
2254
O
LYS
B
76
60.682
−39.091
−20.635
1.00
98.32
MOL1
O


ATOM
2255
N
ASN
B
77
59.594
−40.649
−19.406
1.00
92.93
MOL1
N


ATOM
2256
CA
ASN
B
77
59.181
−41.484
−20.541
1.00
83.37
MOL1
C


ATOM
2257
CB
ASN
B
77
57.922
−40.899
−21.192
1.00
84.04
MOL1
C


ATOM
2258
CG
ASN
B
77
56.797
−40.662
−20.205
1.00
82.21
MOL1
C


ATOM
2259
OD1
ASN
B
77
55.857
−39.916
−20.491
1.00
79.91
MOL1
O


ATOM
2260
ND2
ASN
B
77
56.878
−41.301
−19.046
1.00
85.38
MOL1
N


ATOM
2261
C
ASN
B
77
60.242
−41.606
−21.629
1.00
78.60
MOL1
C


ATOM
2262
O
ASN
B
77
60.103
−40.983
−22.682
1.00
81.00
MOL1
O


ATOM
2263
N
SER
B
78
61.286
−42.398
−21.416
1.00
66.48
MOL1
N


ATOM
2264
CA
SER
B
78
62.295
−42.502
−22.458
1.00
55.65
MOL1
C


ATOM
2265
CB
SER
B
78
63.417
−41.496
−22.208
1.00
50.88
MOL1
C


ATOM
2266
OG
SER
B
78
62.949
−40.162
−22.348
1.00
50.06
MOL1
O


ATOM
2267
C
SER
B
78
62.876
−43.880
−22.645
1.00
55.66
MOL1
C


ATOM
2268
O
SER
B
78
63.030
−44.640
−21.694
1.00
58.81
MOL1
O


ATOM
2269
N
LEU
B
79
63.195
−44.195
−23.895
1.00
56.03
MOL1
N


ATOM
2270
CA
LEU
B
79
63.763
−45.484
−24.252
1.00
55.87
MOL1
C


ATOM
2271
CB
LEU
B
79
62.862
−46.194
−25.238
1.00
50.03
MOL1
C


ATOM
2272
CG
LEU
B
79
63.500
−47.475
−25.721
1.00
55.46
MOL1
C


ATOM
2273
CD1
LEU
B
79
63.850
−48.333
−24.526
1.00
49.32
MOL1
C


ATOM
2274
CD2
LEU
B
79
62.548
−48.181
−26.668
1.00
63.53
MOL1
C


ATOM
2275
C
LEU
B
79
65.125
−45.234
−24.877
1.00
61.11
MOL1
C


ATOM
2276
O
LEU
B
79
65.275
−44.350
−25.717
1.00
64.98
MOL1
O


ATOM
2277
N
TYR
B
80
66.113
−46.024
−24.472
1.00
65.65
MOL1
N


ATOM
2278
CA
TYR
B
80
67.480
−45.851
−24.946
1.00
61.24
MOL1
C


ATOM
2279
CB
TYR
B
80
68.356
−45.415
−23.779
1.00
61.18
MOL1
C


ATOM
2280
CG
TYR
B
80
67.859
−44.220
−23.016
1.00
58.98
MOL1
C


ATOM
2281
CD1
TYR
B
80
67.927
−42.957
−23.570
1.00
62.20
MOL1
C


ATOM
2282
CE1
TYR
B
80
67.500
−41.848
−22.874
1.00
69.50
MOL1
C


ATOM
2283
CD2
TYR
B
80
67.342
−44.352
−21.733
1.00
56.61
MOL1
C


ATOM
2284
CE2
TYR
B
80
66.909
−43.245
−21.026
1.00
63.76
MOL1
C


ATOM
2285
CZ
TYR
B
80
66.992
−41.991
−21.607
1.00
66.48
MOL1
C


ATOM
2286
OH
TYR
B
80
66.566
−40.862
−20.946
1.00
68.86
MOL1
O


ATOM
2287
C
TYR
B
80
68.114
−47.098
−25.536
1.00
61.79
MOL1
C


ATOM
2288
O
TYR
B
80
67.772
−48.225
−25.165
1.00
63.10
MOL1
O


ATOM
2289
N
LEU
B
81
69.059
−46.882
−26.447
1.00
59.82
MOL1
N


ATOM
2290
CA
LEU
B
81
69.812
−47.982
−27.036
1.00
61.74
MOL1
C


ATOM
2291
CB
LEU
B
81
69.406
−48.262
−28.486
1.00
56.22
MOL1
C


ATOM
2292
CG
LEU
B
81
70.141
−49.486
−29.055
1.00
46.81
MOL1
C


ATOM
2293
CD1
LEU
B
81
69.833
−50.675
−28.204
1.00
41.50
MOL1
C


ATOM
2294
CD2
LEU
B
81
69.740
−49.759
−30.483
1.00
47.33
MOL1
C


ATOM
2295
C
LEU
B
81
71.288
−47.608
−26.990
1.00
65.52
MOL1
C


ATOM
2296
O
LEU
B
81
71.699
−46.578
−27.524
1.00
64.49
MOL1
O


ATOM
2297
N
GLN
B
82
72.077
−48.443
−26.325
1.00
70.88
MOL1
N


ATOM
2298
CA
GLN
B
82
73.512
−48.225
−26.198
1.00
73.73
MOL1
C


ATOM
2299
CB
GLN
B
82
73.973
−48.589
−24.790
1.00
76.90
MOL1
C


ATOM
2300
CG
GLN
B
82
75.325
−48.035
−24.429
1.00
79.20
MOL1
C


ATOM
2301
CD
GLN
B
82
75.358
−46.529
−24.538
1.00
83.44
MOL1
C


ATOM
2302
OE1
GLN
B
82
74.528
−45.832
−23.948
1.00
86.30
MOL1
O


ATOM
2303
NE2
GLN
B
82
76.319
−46.015
−25.294
1.00
84.32
MOL1
N


ATOM
2304
C
GLN
B
82
74.216
−49.120
−27.206
1.00
77.08
MOL1
C


ATOM
2305
O
GLN
B
82
74.270
−50.352
−27.046
1.00
77.12
MOL1
O


ATOM
2306
N
MET
B
83
74.763
−48.491
−28.237
1.00
75.62
MOL1
N


ATOM
2307
CA
MET
B
83
75.442
−49.207
−29.293
1.00
79.14
MOL1
C


ATOM
2308
CB
MET
B
83
74.988
−48.633
−30.626
1.00
79.62
MOL1
C


ATOM
2309
CG
MET
B
83
73.469
−48.606
−30.753
1.00
77.11
MOL1
C


ATOM
2310
SD
MET
B
83
72.892
−48.228
−32.398
1.00
76.47
MOL1
S


ATOM
2311
CE
MET
B
83
73.300
−46.496
−32.473
1.00
77.56
MOL1
C


ATOM
2312
C
MET
B
83
76.956
−49.133
−29.165
1.00
84.61
MOL1
C


ATOM
2313
O
MET
B
83
77.557
−48.105
−29.477
1.00
82.10
MOL1
O


ATOM
2314
N
ASN
B
84
77.563
−50.228
−28.701
1.00
90.93
MOL1
N


ATOM
2315
CA
ASN
B
84
79.016
−50.311
−28.526
1.00
94.51
MOL1
C


ATOM
2316
CB
ASN
B
84
79.376
−50.905
−27.155
1.00
95.79
MOL1
C


ATOM
2317
CG
ASN
B
84
78.835
−50.094
−25.989
1.00
96.64
MOL1
C


ATOM
2318
OD1
ASN
B
84
79.009
−48.873
−25.928
1.00
96.83
MOL1
O


ATOM
2319
ND2
ASN
B
84
78.190
−50.779
−25.042
1.00
94.23
MOL1
N


ATOM
2320
C
ASN
B
84
79.627
−51.206
−29.603
1.00
96.78
MOL1
C


ATOM
2321
O
ASN
B
84
78.947
−52.075
−30.152
1.00
98.20
MOL1
O


ATOM
2322
N
SER
B
85
80.912
−50.999
−29.888
1.00
97.63
MOL1
N


ATOM
2323
CA
SER
B
85
81.625
−51.803
−30.880
1.00
98.44
MOL1
C


ATOM
2324
CB
SER
B
85
81.849
−53.222
−30.333
1.00
102.16
MOL1
C


ATOM
2325
OG
SER
B
85
82.641
−54.008
−31.207
1.00
106.22
MOL1
O


ATOM
2326
C
SER
B
85
80.842
−51.855
−32.186
1.00
95.62
MOL1
C


ATOM
2327
O
SER
B
85
80.756
−52.895
−32.844
1.00
96.27
MOL1
O


ATOM
2328
N
LEU
B
86
80.274
−50.718
−32.559
1.00
91.53
MOL1
N


ATOM
2329
CA
LEU
B
86
79.482
−50.633
−33.774
1.00
91.52
MOL1
C


ATOM
2330
CB
LEU
B
86
79.114
−49.172
−34.058
1.00
90.47
MOL1
C


ATOM
2331
CG
LEU
B
86
77.932
−48.622
−33.253
1.00
87.14
MOL1
C


ATOM
2332
CD1
LEU
B
86
77.789
−47.125
−33.449
1.00
82.82
MOL1
C


ATOM
2333
CD2
LEU
B
86
76.673
−49.345
−33.693
1.00
84.80
MOL1
C


ATOM
2334
C
LEU
B
86
80.153
−51.231
−34.997
1.00
89.27
MOL1
C


ATOM
2335
O
LEU
B
86
81.104
−50.667
−35.517
1.00
86.74
MOL1
O


ATOM
2336
N
ARG
B
87
79.656
−52.379
−35.446
1.00
91.09
MOL1
N


ATOM
2337
CA
ARG
B
87
80.190
−53.022
−36.641
1.00
93.95
MOL1
C


ATOM
2338
CB
ARG
B
87
79.627
−54.444
−36.801
1.00
100.00
MOL1
C


ATOM
2339
CG
ARG
B
87
79.675
−55.332
−35.556
1.00
111.29
MOL1
C


ATOM
2340
CD
ARG
B
87
81.094
−55.636
−35.096
1.00
124.71
MOL1
C


ATOM
2341
NE
ARG
B
87
81.114
−56.577
−33.973
1.00
136.98
MOL1
N


ATOM
2342
CZ
ARG
B
87
82.197
−56.881
−33.258
1.00
142.47
MOL1
C


ATOM
2343
NH1
ARG
B
87
83.366
−56.317
−33.542
1.00
145.24
MOL1
N


ATOM
2344
NH2
ARG
B
87
82.112
−57.746
−32.252
1.00
142.45
MOL1
N


ATOM
2345
C
ARG
B
87
79.706
−52.153
−37.807
1.00
91.66
MOL1
C


ATOM
2346
O
ARG
B
87
79.058
−51.135
−37.591
1.00
87.56
MOL1
O


ATOM
2347
N
ALA
B
88
80.005
−52.549
−39.038
1.00
94.65
MOL1
N


ATOM
2348
CA
ALA
B
88
79.567
−51.769
−40.193
1.00
95.57
MOL1
C


ATOM
2349
CB
ALA
B
88
80.627
−51.802
−41.291
1.00
98.24
MOL1
C


ATOM
2350
C
ALA
B
88
78.236
−52.291
−40.725
1.00
95.75
MOL1
C


ATOM
2351
O
ALA
B
88
77.481
−51.559
−41.361
1.00
92.75
MOL1
O


ATOM
2352
N
GLU
B
89
77.953
−53.561
−40.462
1.00
96.30
MOL1
N


ATOM
2353
CA
GLU
B
89
76.707
−54.154
−40.905
1.00
97.62
MOL1
C


ATOM
2354
CB
GLU
B
89
76.835
−55.684
−40.919
1.00
106.24
MOL1
C


ATOM
2355
CG
GLU
B
89
77.211
−56.320
−39.581
1.00
120.92
MOL1
C


ATOM
2356
CD
GLU
B
89
76.088
−57.184
−38.988
1.00
130.30
MOL1
C


ATOM
2357
OE1
GLU
B
89
76.312
−57.809
−37.924
1.00
131.94
MOL1
O


ATOM
2358
OE2
GLU
B
89
74.984
−57.240
−39.583
1.00
133.92
MOL1
O


ATOM
2359
C
GLU
B
89
75.562
−53.700
−39.989
1.00
94.40
MOL1
C


ATOM
2360
O
GLU
B
89
74.442
−54.207
−40.067
1.00
95.94
MOL1
O


ATOM
2361
N
ASP
B
90
75.848
−52.724
−39.131
1.00
89.39
MOL1
N


ATOM
2362
CA
ASP
B
90
74.857
−52.193
−38.199
1.00
83.27
MOL1
C


ATOM
2363
CB
ASP
B
90
75.499
−51.873
−36.842
1.00
85.32
MOL1
C


ATOM
2364
CG
ASP
B
90
75.718
−53.110
−35.974
1.00
91.03
MOL1
C


ATOM
2365
OD1
ASP
B
90
75.267
−54.217
−36.357
1.00
89.00
MOL1
O


ATOM
2366
OD2
ASP
B
90
76.340
−52.964
−34.894
1.00
88.62
MOL1
O


ATOM
2367
C
ASP
B
90
74.206
−50.924
−38.716
1.00
79.69
MOL1
C


ATOM
2368
O
ASP
B
90
73.295
−50.399
−38.088
1.00
78.86
MOL1
O


ATOM
2369
N
THR
B
91
74.686
−50.420
−39.848
1.00
78.76
MOL1
N


ATOM
2370
CA
THR
B
91
74.142
−49.194
−40.433
1.00
73.34
MOL1
C


ATOM
2371
CB
THR
B
91
74.872
−48.823
−41.706
1.00
68.24
MOL1
C


ATOM
2372
OG1
THR
B
91
76.279
−48.980
−41.516
1.00
69.85
MOL1
O


ATOM
2373
CG2
THR
B
91
74.572
−47.409
−42.073
1.00
62.10
MOL1
C


ATOM
2374
C
THR
B
91
72.679
−49.375
−40.808
1.00
76.36
MOL1
C


ATOM
2375
O
THR
B
91
72.315
−50.390
−41.410
1.00
81.79
MOL1
O


ATOM
2376
N
ALA
B
92
71.846
−48.395
−40.465
1.00
70.36
MOL1
N


ATOM
2377
CA
ALA
B
92
70.423
−48.463
−40.783
1.00
66.19
MOL1
C


ATOM
2378
CB
ALA
B
92
69.854
−49.814
−40.373
1.00
64.76
MOL1
C


ATOM
2379
C
ALA
B
92
69.651
−47.370
−40.081
1.00
64.77
MOL1
C


ATOM
2380
O
ALA
B
92
70.229
−46.506
−39.420
1.00
67.65
MOL1
O


ATOM
2381
N
VAL
B
93
68.334
−47.393
−40.250
1.00
60.04
MOL1
N


ATOM
2382
CA
VAL
B
93
67.507
−46.435
−39.555
1.00
54.68
MOL1
C


ATOM
2383
CB
VAL
B
93
66.386
−45.886
−40.390
1.00
52.41
MOL1
C


ATOM
2384
CG1
VAL
B
93
65.218
−45.538
−39.484
1.00
51.63
MOL1
C


ATOM
2385
CG2
VAL
B
93
66.852
−44.630
−41.082
1.00
54.11
MOL1
C


ATOM
2386
C
VAL
B
93
66.917
−47.182
−38.382
1.00
55.09
MOL1
C


ATOM
2387
O
VAL
B
93
66.327
−48.256
−38.529
1.00
53.60
MOL1
O


ATOM
2388
N
TYR
B
94
67.112
−46.622
−37.202
1.00
52.57
MOL1
N


ATOM
2389
CA
TYR
B
94
66.617
−47.261
−36.021
1.00
47.72
MOL1
C


ATOM
2390
CB
TYR
B
94
67.615
−47.108
−34.885
1.00
48.04
MOL1
C


ATOM
2391
CG
TYR
B
94
68.771
−48.070
−35.032
1.00
52.97
MOL1
C


ATOM
2392
CD1
TYR
B
94
69.714
−47.909
−36.045
1.00
58.49
MOL1
C


ATOM
2393
CE1
TYR
B
94
70.727
−48.831
−36.233
1.00
62.20
MOL1
C


ATOM
2394
CD2
TYR
B
94
68.880
−49.182
−34.209
1.00
50.31
MOL1
C


ATOM
2395
CE2
TYR
B
94
69.882
−50.112
−34.389
1.00
56.78
MOL1
C


ATOM
2396
CZ
TYR
B
94
70.802
−49.935
−35.401
1.00
64.78
MOL1
C


ATOM
2397
OH
TYR
B
94
71.788
−50.876
−35.585
1.00
67.91
MOL1
O


ATOM
2398
C
TYR
B
94
65.277
−46.716
−35.648
1.00
47.66
MOL1
C


ATOM
2399
O
TYR
B
94
65.106
−45.509
−35.519
1.00
47.18
MOL1
O


ATOM
2400
N
TYR
B
95
64.330
−47.642
−35.499
1.00
47.28
MOL1
N


ATOM
2401
CA
TYR
B
95
62.946
−47.356
−35.146
1.00
42.92
MOL1
C


ATOM
2402
CB
TYR
B
95
62.009
−48.074
−36.112
1.00
41.96
MOL1
C


ATOM
2403
CG
TYR
B
95
61.952
−47.495
−37.503
1.00
36.03
MOL1
C


ATOM
2404
CD1
TYR
B
95
62.216
−48.286
−38.610
1.00
31.42
MOL1
C


ATOM
2405
CE1
TYR
B
95
62.135
−47.770
−39.894
1.00
31.36
MOL1
C


ATOM
2406
CD2
TYR
B
95
61.605
−46.169
−37.714
1.00
32.69
MOL1
C


ATOM
2407
CE2
TYR
B
95
61.523
−45.649
−38.990
1.00
30.52
MOL1
C


ATOM
2408
CZ
TYR
B
95
61.791
−46.452
−40.079
1.00
31.84
MOL1
C


ATOM
2409
OH
TYR
B
95
61.740
−45.936
−41.358
1.00
37.32
MOL1
O


ATOM
2410
C
TYR
B
95
62.565
−47.757
−33.716
1.00
44.74
MOL1
C


ATOM
2411
O
TYR
B
95
62.956
−48.813
−33.208
1.00
43.15
MOL1
O


ATOM
2412
N
CYS
B
96
61.769
−46.898
−33.096
1.00
42.45
MOL1
N


ATOM
2413
CA
CYS
B
96
61.280
−47.080
−31.742
1.00
48.18
MOL1
C


ATOM
2414
C
CYS
B
96
59.858
−47.591
−31.935
1.00
45.66
MOL1
C


ATOM
2415
O
CYS
B
96
59.094
−46.997
−32.686
1.00
52.35
MOL1
O


ATOM
2416
CB
CYS
B
96
61.289
−45.712
−31.041
1.00
56.99
MOL1
C


ATOM
2417
SG
CYS
B
96
60.788
−45.606
−29.285
1.00
75.20
MOL1
S


ATOM
2418
N
ALA
B
97
59.486
−48.680
−31.275
1.00
45.29
MOL1
N


ATOM
2419
CA
ALA
B
97
58.133
−49.219
−31.462
1.00
48.97
MOL1
C


ATOM
2420
CB
ALA
B
97
58.159
−50.387
−32.454
1.00
50.04
MOL1
C


ATOM
2421
C
ALA
B
97
57.430
−49.675
−30.198
1.00
51.55
MOL1
C


ATOM
2422
O
ALA
B
97
57.971
−50.473
−29.418
1.00
53.04
MOL1
O


ATOM
2423
N
SER
B
98
56.201
−49.201
−30.011
1.00
48.82
MOL1
N


ATOM
2424
CA
SER
B
98
55.446
−49.593
−28.830
1.00
49.76
MOL1
C


ATOM
2425
CB
SER
B
98
54.932
−48.364
−28.088
1.00
52.60
MOL1
C


ATOM
2426
OG
SER
B
98
53.682
−47.961
−28.593
1.00
57.72
MOL1
O


ATOM
2427
C
SER
B
98
54.279
−50.490
−29.191
1.00
48.56
MOL1
C


ATOM
2428
O
SER
B
98
53.865
−50.547
−30.337
1.00
56.57
MOL1
O


ATOM
2429
N
PRO
B
99
53.742
−51.225
−28.215
1.00
48.25
MOL1
N


ATOM
2430
CD
PRO
B
99
54.274
−51.498
−26.872
1.00
43.96
MOL1
C


ATOM
2431
CA
PRO
B
99
52.610
−52.100
−28.520
1.00
49.92
MOL1
C


ATOM
2432
CB
PRO
B
99
52.755
−53.200
−27.486
1.00
51.02
MOL1
C


ATOM
2433
CG
PRO
B
99
53.243
−52.431
−26.296
1.00
49.83
MOL1
C


ATOM
2434
C
PRO
B
99
51.284
−51.323
−28.417
1.00
49.50
MOL1
C


ATOM
2435
O
PRO
B
99
51.265
−50.148
−28.028
1.00
42.62
MOL1
O


ATOM
2436
N
PRO
B
100
50.164
−51.973
−28.766
1.00
49.50
MOL1
N


ATOM
2437
CD
PRO
B
100
50.098
−53.401
−29.117
1.00
51.43
MOL1
C


ATOM
2438
CA
PRO
B
100
48.817
−51.394
−28.741
1.00
51.65
MOL1
C


ATOM
2439
CB
PRO
B
100
47.961
−52.496
−29.362
1.00
47.03
MOL1
C


ATOM
2440
CG
PRO
B
100
48.628
−53.716
−28.901
1.00
49.55
MOL1
C


ATOM
2441
C
PRO
B
100
48.306
−50.961
−27.374
1.00
53.54
MOL1
C


ATOM
2442
O
PRO
B
100
48.489
−51.655
−26.386
1.00
51.78
MOL1
O


ATOM
2443
N
GLN
B
101
47.658
−49.799
−27.351
1.00
61.09
MOL1
N


ATOM
2444
CA
GLN
B
101
47.094
−49.205
−26.147
1.00
61.80
MOL1
C


ATOM
2445
CB
GLN
B
101
46.495
−47.829
−26.477
1.00
74.11
MOL1
C


ATOM
2446
CG
GLN
B
101
47.203
−47.058
−27.621
1.00
89.30
MOL1
C


ATOM
2447
CD
GLN
B
101
46.706
−47.425
−29.055
1.00
96.41
MOL1
C


ATOM
2448
OE1
GLN
B
101
46.819
−48.574
−29.511
1.00
84.58
MOL1
O


ATOM
2449
NE2
GLN
B
101
46.167
−46.427
−29.763
1.00
98.03
MOL1
N


ATOM
2450
C
GLN
B
101
46.026
−50.122
−25.538
1.00
61.51
MOL1
C


ATOM
2451
O
GLN
B
101
45.799
−50.078
−24.329
1.00
66.28
MOL1
O


ATOM
2452
N
TYR
B
102
45.340
−50.926
−26.355
1.00
57.93
MOL1
N


ATOM
2453
CA
TYR
B
102
44.368
−51.870
−25.795
1.00
58.68
MOL1
C


ATOM
2454
CB
TYR
B
102
43.306
−52.305
−26.814
1.00
59.50
MOL1
C


ATOM
2455
CG
TYR
B
102
43.723
−52.267
−28.270
1.00
67.62
MOL1
C


ATOM
2456
CD1
TYR
B
102
43.665
−53.410
−29.054
1.00
73.12
MOL1
C


ATOM
2457
CE1
TYR
B
102
44.086
−53.404
−30.379
1.00
70.43
MOL1
C


ATOM
2458
CD2
TYR
B
102
44.205
−51.104
−28.855
1.00
67.71
MOL1
C


ATOM
2459
CE2
TYR
B
102
44.629
−51.089
−30.179
1.00
70.68
MOL1
C


ATOM
2460
CZ
TYR
B
102
44.574
−52.244
−30.930
1.00
68.95
MOL1
C


ATOM
2461
OH
TYR
B
102
45.076
−52.264
−32.208
1.00
70.49
MOL1
O


ATOM
2462
C
TYR
B
102
45.219
−53.056
−25.344
1.00
62.41
MOL1
C


ATOM
2463
O
TYR
B
102
46.342
−52.854
−24.889
1.00
72.10
MOL1
O


ATOM
2464
N
TYR
B
103
44.734
−54.282
−25.442
1.00
56.35
MOL1
N


ATOM
2465
CA
TYR
B
103
45.562
−55.419
−25.004
1.00
55.06
MOL1
C


ATOM
2466
CB
TYR
B
103
46.477
−55.850
−26.139
1.00
39.42
MOL1
C


ATOM
2467
CG
TYR
B
103
45.779
−56.647
−27.189
1.00
40.53
MOL1
C


ATOM
2468
CD1
TYR
B
103
45.431
−57.966
−26.965
1.00
40.77
MOL1
C


ATOM
2469
CE1
TYR
B
103
44.739
−58.689
−27.913
1.00
39.01
MOL1
C


ATOM
2470
CD2
TYR
B
103
45.421
−56.073
−28.389
1.00
37.07
MOL1
C


ATOM
2471
CE2
TYR
B
103
44.725
−56.785
−29.340
1.00
37.65
MOL1
C


ATOM
2472
CZ
TYR
B
103
44.385
−58.092
−29.098
1.00
40.30
MOL1
C


ATOM
2473
OH
TYR
B
103
43.664
−58.795
−30.040
1.00
45.78
MOL1
O


ATOM
2474
C
TYR
B
103
46.438
−55.312
−23.731
1.00
61.14
MOL1
C


ATOM
2475
O
TYR
B
103
45.971
−55.407
−22.597
1.00
62.53
MOL1
O


ATOM
2476
N
GLU
B
104
47.731
−55.126
−23.953
1.00
71.54
MOL1
N


ATOM
2477
CA
GLU
B
104
48.736
−55.073
−22.892
1.00
75.42
MOL1
C


ATOM
2478
CB
GLU
B
104
48.692
−53.817
−22.049
1.00
78.09
MOL1
C


ATOM
2479
CG
GLU
B
104
50.036
−53.557
−21.290
1.00
87.24
MOL1
C


ATOM
2480
CD
GLU
B
104
50.854
−54.815
−20.883
1.00
86.28
MOL1
C


ATOM
2481
OE1
GLU
B
104
51.228
−55.640
−21.750
1.00
77.83
MOL1
O


ATOM
2482
OE2
GLU
B
104
51.150
−54.965
−19.675
1.00
86.79
MOL1
O


ATOM
2483
C
GLU
B
104
48.567
−56.198
−21.930
1.00
76.64
MOL1
C


ATOM
2484
O
GLU
B
104
48.897
−57.337
−22.238
1.00
78.00
MOL1
O


ATOM
2485
N
GLY
B
105
48.055
−55.851
−20.751
1.00
82.01
MOL1
N


ATOM
2486
CA
GLY
B
105
47.872
−56.824
−19.687
1.00
92.10
MOL1
C


ATOM
2487
C
GLY
B
105
49.226
−57.315
−19.172
1.00
95.69
MOL1
C


ATOM
2488
O
GLY
B
105
49.336
−57.738
−18.017
1.00
97.30
MOL1
O


ATOM
2489
N
SER
B
106
50.234
−57.239
−20.055
1.00
91.89
MOL1
N


ATOM
2490
CA
SER
B
106
51.622
−57.640
−19.842
1.00
80.13
MOL1
C


ATOM
2491
CB
SER
B
106
51.757
−58.534
−18.624
1.00
86.39
MOL1
C


ATOM
2492
OG
SER
B
106
51.584
−57.772
−17.440
1.00
101.06
MOL1
O


ATOM
2493
C
SER
B
106
52.076
−58.392
−21.075
1.00
76.46
MOL1
C


ATOM
2494
O
SER
B
106
53.261
−58.468
−21.354
1.00
80.98
MOL1
O


ATOM
2495
N
ILE
B
107
51.106
−58.931
−21.808
1.00
72.52
MOL1
N


ATOM
2496
CA
ILE
B
107
51.317
−59.712
−23.026
1.00
69.30
MOL1
C


ATOM
2497
CB
ILE
B
107
50.163
−59.504
−24.009
1.00
63.37
MOL1
C


ATOM
2498
CG2
ILE
B
107
50.364
−60.364
−25.232
1.00
69.72
MOL1
C


ATOM
2499
CG1
ILE
B
107
48.850
−59.916
−23.365
1.00
57.52
MOL1
C


ATOM
2500
CD1
ILE
B
107
47.709
−59.969
−24.330
1.00
59.21
MOL1
C


ATOM
2501
C
ILE
B
107
52.626
−59.449
−23.762
1.00
75.37
MOL1
C


ATOM
2502
O
ILE
B
107
52.846
−58.365
−24.315
1.00
80.43
MOL1
O


ATOM
2503
N
TYR
B
108
53.491
−60.459
−23.799
1.00
76.32
MOL1
N


ATOM
2504
CA
TYR
B
108
54.787
−60.298
−24.446
1.00
70.22
MOL1
C


ATOM
2505
CB
TYR
B
108
55.791
−61.316
−23.879
1.00
72.00
MOL1
C


ATOM
2506
CG
TYR
B
108
57.129
−61.320
−24.581
1.00
68.39
MOL1
C


ATOM
2507
CD1
TYR
B
108
57.881
−60.166
−24.681
1.00
67.40
MOL1
C


ATOM
2508
CE1
TYR
B
108
59.066
−60.144
−25.388
1.00
68.09
MOL1
C


ATOM
2509
CD2
TYR
B
108
57.606
−62.465
−25.201
1.00
70.66
MOL1
C


ATOM
2510
CE2
TYR
B
108
58.787
−62.454
−25.910
1.00
73.27
MOL1
C


ATOM
2511
CZ
TYR
B
108
59.513
−61.286
−26.007
1.00
73.12
MOL1
C


ATOM
2512
OH
TYR
B
108
60.659
−61.241
−26.779
1.00
78.13
MOL1
O


ATOM
2513
C
TYR
B
108
54.763
−60.376
−25.966
1.00
63.70
MOL1
C


ATOM
2514
O
TYR
B
108
55.273
−59.478
−26.626
1.00
63.97
MOL1
O


ATOM
2515
N
ARG
B
109
54.155
−61.425
−26.510
1.00
56.91
MOL1
N


ATOM
2516
CA
ARG
B
109
54.105
−61.642
−27.958
1.00
58.47
MOL1
C


ATOM
2517
CB
ARG
B
109
53.480
−63.008
−28.221
1.00
69.08
MOL1
C


ATOM
2518
CG
ARG
B
109
53.583
−63.920
−27.003
1.00
81.72
MOL1
C


ATOM
2519
CD
ARG
B
109
54.439
−65.146
−27.246
1.00
89.25
MOL1
C


ATOM
2520
NE
ARG
B
109
54.686
−65.846
−25.985
1.00
103.95
MOL1
N


ATOM
2521
CZ
ARG
B
109
55.168
−67.084
−25.885
1.00
107.07
MOL1
C


ATOM
2522
NH1
ARG
B
109
55.456
−67.775
−26.983
1.00
108.09
MOL1
N


ATOM
2523
NH2
ARG
B
109
55.362
−67.629
−24.683
1.00
102.84
MOL1
N


ATOM
2524
C
ARG
B
109
53.410
−60.554
−28.790
1.00
52.75
MOL1
C


ATOM
2525
O
ARG
B
109
53.235
−60.691
−30.002
1.00
47.41
MOL1
O


ATOM
2526
N
LEU
B
110
53.047
−59.465
−28.126
1.00
50.30
MOL1
N


ATOM
2527
CA
LEU
B
110
52.395
−58.316
−28.750
1.00
46.56
MOL1
C


ATOM
2528
CB
LEU
B
110
52.212
−57.227
−27.706
1.00
47.54
MOL1
C


ATOM
2529
CG
LEU
B
110
50.759
−56.842
−27.519
1.00
54.43
MOL1
C


ATOM
2530
CD1
LEU
B
110
49.916
−58.104
−27.459
1.00
59.21
MOL1
C


ATOM
2531
CD2
LEU
B
110
50.610
−56.026
−26.262
1.00
47.23
MOL1
C


ATOM
2532
C
LEU
B
110
53.118
−57.698
−29.944
1.00
45.48
MOL1
C


ATOM
2533
O
LEU
B
110
54.291
−57.357
−29.876
1.00
46.46
MOL1
O


ATOM
2534
N
TRP
B
111
52.399
−57.530
−31.040
1.00
48.24
MOL1
N


ATOM
2535
CA
TRP
B
111
52.964
−56.916
−32.237
1.00
48.84
MOL1
C


ATOM
2536
CB
TRP
B
111
51.964
−57.012
−33.391
1.00
48.00
MOL1
C


ATOM
2537
CG
TRP
B
111
50.647
−56.428
−33.029
1.00
46.57
MOL1
C


ATOM
2538
CD2
TRP
B
111
49.580
−57.099
−32.362
1.00
50.74
MOL1
C


ATOM
2539
CE2
TRP
B
111
48.584
−56.150
−32.102
1.00
52.04
MOL1
C


ATOM
2540
CE3
TRP
B
111
49.373
−58.414
−31.956
1.00
54.75
MOL1
C


ATOM
2541
CD1
TRP
B
111
50.262
−55.132
−33.152
1.00
51.34
MOL1
C


ATOM
2542
NE1
TRP
B
111
49.018
−54.949
−32.593
1.00
52.39
MOL1
N


ATOM
2543
CZ2
TRP
B
111
47.406
−56.477
−31.454
1.00
60.95
MOL1
C


ATOM
2544
CZ3
TRP
B
111
48.203
−58.732
−31.314
1.00
55.14
MOL1
C


ATOM
2545
CH2
TRP
B
111
47.237
−57.776
−31.069
1.00
56.14
MOL1
C


ATOM
2546
C
TRP
B
111
53.129
−55.463
−31.863
1.00
50.24
MOL1
C


ATOM
2547
O
TRP
B
111
53.102
−55.116
−30.673
1.00
55.63
MOL1
O


ATOM
2548
N
PHE
B
112
53.309
−54.598
−32.851
1.00
46.77
MOL1
N


ATOM
2549
CA
PHE
B
112
53.379
−53.205
−32.490
1.00
45.05
MOL1
C


ATOM
2550
CB
PHE
B
112
54.753
−52.826
−31.905
1.00
54.59
MOL1
C


ATOM
2551
CG
PHE
B
112
55.953
−53.481
−32.564
1.00
57.92
MOL1
C


ATOM
2552
CD1
PHE
B
112
56.749
−54.370
−31.842
1.00
62.59
MOL1
C


ATOM
2553
CD2
PHE
B
112
56.354
−53.130
−33.825
1.00
48.83
MOL1
C


ATOM
2554
CE1
PHE
B
112
57.913
−54.882
−32.363
1.00
51.33
MOL1
C


ATOM
2555
CE2
PHE
B
112
57.516
−53.645
−34.337
1.00
55.91
MOL1
C


ATOM
2556
CZ
PHE
B
112
58.297
−54.525
−33.595
1.00
49.90
MOL1
C


ATOM
2557
C
PHE
B
112
52.935
−52.155
−33.470
1.00
42.66
MOL1
C


ATOM
2558
O
PHE
B
112
53.405
−52.088
−34.608
1.00
43.22
MOL1
O


ATOM
2559
N
ALA
B
113
51.977
−51.358
−32.997
1.00
39.22
MOL1
N


ATOM
2560
CA
ALA
B
113
51.449
−50.220
−33.736
1.00
40.32
MOL1
C


ATOM
2561
CB
ALA
B
113
50.021
−49.963
−33.398
1.00
42.03
MOL1
C


ATOM
2562
C
ALA
B
113
52.290
−49.105
−33.185
1.00
39.72
MOL1
C


ATOM
2563
O
ALA
B
113
52.953
−49.271
−32.180
1.00
43.81
MOL1
O


ATOM
2564
N
HIS
B
114
52.277
−47.958
−33.824
1.00
44.26
MOL1
N


ATOM
2565
CA
HIS
B
114
53.095
−46.866
−33.327
1.00
47.45
MOL1
C


ATOM
2566
CB
HIS
B
114
52.703
−46.561
−31.895
1.00
47.23
MOL1
C


ATOM
2567
CG
HIS
B
114
51.233
−46.414
−31.723
1.00
51.11
MOL1
C


ATOM
2568
CD2
HIS
B
114
50.310
−45.801
−32.496
1.00
58.42
MOL1
C


ATOM
2569
ND1
HIS
B
114
50.543
−47.002
−30.688
1.00
54.21
MOL1
N


ATOM
2570
CE1
HIS
B
114
49.254
−46.761
−30.832
1.00
58.58
MOL1
C


ATOM
2571
NE2
HIS
B
114
49.086
−46.035
−31.922
1.00
67.53
MOL1
N


ATOM
2572
C
HIS
B
114
54.597
−47.136
−33.424
1.00
46.61
MOL1
C


ATOM
2573
O
HIS
B
114
55.181
−47.914
−32.653
1.00
39.62
MOL1
O


ATOM
2574
N
TRP
B
115
55.190
−46.471
−34.410
1.00
46.04
MOL1
N


ATOM
2575
CA
TRP
B
115
56.600
−46.539
−34.686
1.00
43.95
MOL1
C


ATOM
2576
CB
TRP
B
115
56.829
−47.107
−36.088
1.00
43.82
MOL1
C


ATOM
2577
CG
TRP
B
115
56.477
−48.548
−36.286
1.00
39.43
MOL1
C


ATOM
2578
CD2
TRP
B
115
57.369
−49.604
−36.671
1.00
41.48
MOL1
C


ATOM
2579
CE2
TRP
B
115
56.605
−50.784
−36.769
1.00
38.25
MOL1
C


ATOM
2580
CE3
TRP
B
115
58.737
−49.665
−36.941
1.00
37.30
MOL1
C


ATOM
2581
CD1
TRP
B
115
55.253
−49.112
−36.171
1.00
41.90
MOL1
C


ATOM
2582
NE1
TRP
B
115
55.313
−50.459
−36.460
1.00
37.95
MOL1
N


ATOM
2583
CZ2
TRP
B
115
57.162
−52.007
−37.122
1.00
29.39
MOL1
C


ATOM
2584
CZ3
TRP
B
115
59.283
−50.880
−37.291
1.00
37.81
MOL1
C


ATOM
2585
CH2
TRP
B
115
58.497
−52.035
−37.377
1.00
28.35
MOL1
C


ATOM
2586
C
TRP
B
115
57.033
−45.077
−34.653
1.00
44.33
MOL1
C


ATOM
2587
O
TRP
B
115
56.209
−44.188
−34.870
1.00
47.44
MOL1
O


ATOM
2588
N
GLY
B
116
58.306
−44.820
−34.376
1.00
42.65
MOL1
N


ATOM
2589
CA
GLY
B
116
58.788
−43.451
−34.384
1.00
44.00
MOL1
C


ATOM
2590
C
GLY
B
116
59.147
−43.119
−35.819
1.00
47.25
MOL1
C


ATOM
2591
O
GLY
B
116
58.853
−43.902
−36.710
1.00
48.39
MOL1
O


ATOM
2592
N
GLN
B
117
59.763
−41.973
−36.075
1.00
53.34
MOL1
N


ATOM
2593
CA
GLN
B
117
60.145
−41.652
−37.449
1.00
55.82
MOL1
C


ATOM
2594
CB
GLN
B
117
60.268
−40.147
−37.671
1.00
63.13
MOL1
C


ATOM
2595
CG
GLN
B
117
61.399
−39.485
−36.898
1.00
80.29
MOL1
C


ATOM
2596
CD
GLN
B
117
61.066
−39.298
−35.429
1.00
90.29
MOL1
C


ATOM
2597
OE1
GLN
B
117
60.009
−38.752
−35.086
1.00
91.75
MOL1
O


ATOM
2598
NE2
GLN
B
117
61.968
−39.739
−34.551
1.00
90.06
MOL1
N


ATOM
2599
C
GLN
B
117
61.490
−42.306
−37.710
1.00
52.56
MOL1
C


ATOM
2600
O
GLN
B
117
61.863
−42.539
−38.852
1.00
53.79
MOL1
O


ATOM
2601
N
GLY
B
118
62.212
−42.596
−36.632
1.00
52.43
MOL1
N


ATOM
2602
CA
GLY
B
118
63.508
−43.246
−36.736
1.00
53.65
MOL1
C


ATOM
2603
C
GLY
B
118
64.687
−42.320
−36.967
1.00
52.41
MOL1
C


ATOM
2604
O
GLY
B
118
64.507
−41.207
−37.462
1.00
54.86
MOL1
O


ATOM
2605
N
THR
B
119
65.884
−42.769
−36.579
1.00
49.15
MOL1
N


ATOM
2606
CA
THR
B
119
67.110
−41.997
−36.793
1.00
49.60
MOL1
C


ATOM
2607
CB
THR
B
119
67.827
−41.574
−35.514
1.00
49.83
MOL1
C


ATOM
2608
OG1
THR
B
119
67.548
−42.508
−34.471
1.00
53.93
MOL1
O


ATOM
2609
CG2
THR
B
119
67.453
−40.166
−35.136
1.00
53.96
MOL1
C


ATOM
2610
C
THR
B
119
68.119
−42.816
−37.554
1.00
50.51
MOL1
C


ATOM
2611
O
THR
B
119
68.283
−44.019
−37.318
1.00
47.34
MOL1
O


ATOM
2612
N
LEU
B
120
68.825
−42.131
−38.442
1.00
48.83
MOL1
N


ATOM
2613
CA
LEU
B
120
69.820
−42.761
−39.274
0.50
49.21
MOL1
C


ATOM
2614
CB
LEU
B
120
70.031
−41.891
−40.498
1.00
48.65
MOL1
C


ATOM
2615
CG
LEU
B
120
71.120
−42.347
−41.453
1.00
46.65
MOL1
C


ATOM
2616
CD1
LEU
B
120
71.069
−43.865
−41.702
1.00
30.50
MOL1
C


ATOM
2617
CD2
LEU
B
120
70.940
−41.538
−42.727
1.00
53.75
MOL1
C


ATOM
2618
C
LEU
B
120
71.137
−42.968
−38.554
1.00
46.13
MOL1
C


ATOM
2619
O
LEU
B
120
71.641
−42.058
−37.916
1.00
48.24
MOL1
O


ATOM
2620
N
VAL
B
121
71.696
−44.164
−38.670
1.00
44.98
MOL1
N


ATOM
2621
CA
VAL
B
121
72.966
−44.463
−38.034
1.00
51.17
MOL1
C


ATOM
2622
CB
VAL
B
121
72.765
−45.379
−36.821
1.00
51.60
MOL1
C


ATOM
2623
CG1
VAL
B
121
74.104
−45.701
−36.172
1.00
40.79
MOL1
C


ATOM
2624
CG2
VAL
B
121
71.847
−44.700
−35.836
1.00
49.63
MOL1
C


ATOM
2625
C
VAL
B
121
73.879
−45.136
−39.046
1.00
56.48
MOL1
C


ATOM
2626
O
VAL
B
121
73.668
−46.300
−39.410
1.00
58.82
MOL1
O


ATOM
2627
N
THR
B
122
74.890
−44.396
−39.503
1.00
59.17
MOL1
N


ATOM
2628
CA
THR
B
122
75.838
−44.905
−40.497
1.00
61.81
MOL1
C


ATOM
2629
CB
THR
B
122
75.924
−43.949
−41.736
1.00
52.31
MOL1
C


ATOM
2630
OG1
THR
B
122
75.576
−42.622
−41.342
1.00
46.25
MOL1
O


ATOM
2631
CG2
THR
B
122
74.970
−44.378
−42.848
1.00
52.37
MOL1
C


ATOM
2632
C
THR
B
122
77.259
−45.152
−39.970
1.00
67.95
MOL1
C


ATOM
2633
O
THR
B
122
78.011
−44.216
−39.694
1.00
72.78
MOL1
O


ATOM
2634
N
VAL
B
123
77.617
−46.423
−39.836
1.00
71.58
MOL1
N


ATOM
2635
CA
VAL
B
123
78.941
−46.804
−39.378
1.00
76.99
MOL1
C


ATOM
2636
CB
VAL
B
123
78.872
−48.098
−38.544
1.00
75.96
MOL1
C


ATOM
2637
CG1
VAL
B
123
78.099
−49.149
−39.286
1.00
86.41
MOL1
C


ATOM
2638
CG2
VAL
B
123
80.254
−48.607
−38.261
1.00
84.18
MOL1
C


ATOM
2639
C
VAL
B
123
79.872
−46.995
−40.592
1.00
81.61
MOL1
C


ATOM
2640
O
VAL
B
123
79.843
−48.030
−41.269
1.00
81.81
MOL1
O


ATOM
2641
N
SER
B
124
80.685
−45.974
−40.865
1.00
86.73
MOL1
N


ATOM
2642
CA
SER
B
124
81.627
−45.986
−41.986
1.00
90.91
MOL1
C


ATOM
2643
CB
SER
B
124
81.040
−45.209
−43.173
1.00
94.67
MOL1
C


ATOM
2644
OG
SER
B
124
81.931
−45.159
−44.277
1.00
93.43
MOL1
O


ATOM
2645
C
SER
B
124
82.956
−45.355
−41.572
1.00
92.08
MOL1
C


ATOM
2646
O
SER
B
124
82.978
−44.409
−40.783
1.00
94.13
MOL1
O


ATOM
2647
N
SER
B
125
84.058
−45.877
−42.110
1.00
90.43
MOL1
N


ATOM
2648
CA
SER
B
125
85.388
−45.366
−41.794
1.00
83.28
MOL1
C


ATOM
2649
CB
SER
B
125
86.423
−46.486
−41.903
1.00
79.81
MOL1
C


ATOM
2650
OG
SER
B
125
86.211
−47.259
−43.068
1.00
85.28
MOL1
O


ATOM
2651
C
SER
B
125
85.782
−44.194
−42.681
1.00
79.66
MOL1
C


ATOM
2652
O
SER
B
125
86.730
−43.481
−42.384
1.00
78.73
MOL1
O


ATOM
2653
N
ALA
B
126
85.044
−43.990
−43.763
1.00
79.96
MOL1
N


ATOM
2654
CA
ALA
B
126
85.318
−42.887
−44.675
1.00
81.43
MOL1
C


ATOM
2655
CB
ALA
B
126
84.326
−42.895
−45.809
1.00
86.30
MOL1
C


ATOM
2656
C
ALA
B
126
85.265
−41.548
−43.954
1.00
81.14
MOL1
C


ATOM
2657
O
ALA
B
126
84.682
−41.431
−42.875
1.00
82.37
MOL1
O


ATOM
2658
N
LYS
B
127
85.859
−40.535
−44.573
1.00
81.98
MOL1
N


ATOM
2659
CA
LYS
B
127
85.926
−39.206
−43.983
1.00
87.15
MOL1
C


ATOM
2660
CB
LYS
B
127
87.391
−38.794
−43.795
1.00
99.20
MOL1
C


ATOM
2661
CG
LYS
B
127
88.340
−39.923
−43.332
1.00
111.33
MOL1
C


ATOM
2662
CD
LYS
B
127
88.734
−40.877
−44.484
1.00
116.04
MOL1
C


ATOM
2663
CE
LYS
B
127
89.702
−41.978
−44.023
1.00
114.55
MOL1
C


ATOM
2664
NZ
LYS
B
127
90.022
−42.962
−45.103
1.00
107.62
MOL1
N


ATOM
2665
C
LYS
B
127
85.243
−38.193
−44.871
1.00
80.91
MOL1
C


ATOM
2666
O
LYS
B
127
85.237
−38.340
−46.079
1.00
79.56
MOL1
O


ATOM
2667
N
THR
B
128
84.683
−37.155
−44.267
1.00
79.13
MOL1
N


ATOM
2668
CA
THR
B
128
83.999
−36.115
−45.026
1.00
80.44
MOL1
C


ATOM
2669
CB
THR
B
128
83.662
−34.900
−44.123
1.00
87.75
MOL1
C


ATOM
2670
OG1
THR
B
128
83.157
−33.824
−44.930
1.00
91.00
MOL1
O


ATOM
2671
CG2
THR
B
128
84.906
−34.433
−43.354
1.00
95.92
MOL1
C


ATOM
2672
C
THR
B
128
84.809
−35.622
−46.228
1.00
73.65
MOL1
C


ATOM
2673
O
THR
B
128
85.880
−35.041
−46.066
1.00
73.18
MOL1
O


ATOM
2674
N
THR
B
129
84.277
−35.852
−47.428
1.00
67.55
MOL1
N


ATOM
2675
CA
THR
B
129
84.915
−35.451
−48.687
1.00
63.55
MOL1
C


ATOM
2676
CB
THR
B
129
85.295
−36.655
−49.546
1.00
55.93
MOL1
C


ATOM
2677
OG1
THR
B
129
86.154
−37.538
−48.824
1.00
47.85
MOL1
O


ATOM
2678
CG2
THR
B
129
85.970
−36.184
−50.808
1.00
52.38
MOL1
C


ATOM
2679
C
THR
B
129
83.945
−34.681
−49.578
1.00
69.74
MOL1
C


ATOM
2680
O
THR
B
129
82.822
−35.132
−49.801
1.00
72.74
MOL1
O


ATOM
2681
N
PRO
B
130
84.365
−33.534
−50.135
1.00
71.79
MOL1
N


ATOM
2682
CD
PRO
B
130
85.698
−32.910
−50.191
1.00
69.95
MOL1
C


ATOM
2683
CA
PRO
B
130
83.422
−32.813
−50.994
1.00
74.26
MOL1
C


ATOM
2684
CB
PRO
B
130
84.089
−31.461
−51.166
1.00
71.83
MOL1
C


ATOM
2685
CG
PRO
B
130
85.521
−31.858
−51.298
1.00
71.38
MOL1
C


ATOM
2686
C
PRO
B
130
83.356
−33.576
−52.310
1.00
75.56
MOL1
C


ATOM
2687
O
PRO
B
130
84.231
−34.384
−52.599
1.00
70.43
MOL1
O


ATOM
2688
N
PRO
B
131
82.327
−33.319
−53.130
1.00
79.47
MOL1
N


ATOM
2689
CD
PRO
B
131
81.168
−32.449
−52.863
1.00
85.88
MOL1
C


ATOM
2690
CA
PRO
B
131
82.155
−33.989
−54.414
1.00
77.67
MOL1
C


ATOM
2691
CB
PRO
B
131
80.657
−33.953
−54.607
1.00
76.78
MOL1
C


ATOM
2692
CG
PRO
B
131
80.355
−32.572
−54.162
1.00
79.89
MOL1
C


ATOM
2693
C
PRO
B
131
82.866
−33.286
−55.549
1.00
77.13
MOL1
C


ATOM
2694
O
PRO
B
131
83.061
−32.072
−55.528
1.00
78.86
MOL1
O


ATOM
2695
N
SER
B
132
83.243
−34.073
−56.545
1.00
76.12
MOL1
N


ATOM
2696
CA
SER
B
132
83.907
−33.569
−57.736
1.00
73.56
MOL1
C


ATOM
2697
CB
SER
B
132
85.007
−34.543
−58.161
1.00
73.15
MOL1
C


ATOM
2698
OG
SER
B
132
85.763
−34.980
−57.040
1.00
68.08
MOL1
O


ATOM
2699
C
SER
B
132
82.787
−33.547
−58.767
1.00
69.58
MOL1
C


ATOM
2700
O
SER
B
132
82.091
−34.534
−58.938
1.00
72.95
MOL1
O


ATOM
2701
N
VAL
B
133
82.588
−32.438
−59.452
1.00
63.51
MOL1
N


ATOM
2702
CA
VAL
B
133
81.497
−32.403
−60.407
1.00
60.40
MOL1
C


ATOM
2703
CB
VAL
B
133
80.504
−31.297
−60.066
1.00
63.33
MOL1
C


ATOM
2704
CG1
VAL
B
133
79.595
−31.022
−61.262
1.00
55.60
MOL1
C


ATOM
2705
CG2
VAL
B
133
79.703
−31.696
−58.852
1.00
63.03
MOL1
C


ATOM
2706
C
VAL
B
133
81.900
−32.224
−61.847
1.00
61.09
MOL1
C


ATOM
2707
O
VAL
B
133
82.502
−31.222
−62.217
1.00
70.14
MOL1
O


ATOM
2708
N
TYR
B
134
81.548
−33.196
−62.669
1.00
57.45
MOL1
N


ATOM
2709
CA
TYR
B
134
81.873
−33.138
−64.084
1.00
56.17
MOL1
C


ATOM
2710
CB
TYR
B
134
82.598
−34.411
−64.514
1.00
50.84
MOL1
C


ATOM
2711
CG
TYR
B
134
83.717
−34.851
−63.598
1.00
47.52
MOL1
C


ATOM
2712
CD1
TYR
B
134
84.846
−34.068
−63.410
1.00
53.56
MOL1
C


ATOM
2713
CE1
TYR
B
134
85.896
−34.481
−62.580
1.00
48.90
MOL1
C


ATOM
2714
CD2
TYR
B
134
83.656
−36.059
−62.937
1.00
47.93
MOL1
C


ATOM
2715
CE2
TYR
B
134
84.693
−36.477
−62.114
1.00
53.51
MOL1
C


ATOM
2716
CZ
TYR
B
134
85.812
−35.685
−61.939
1.00
50.11
MOL1
C


ATOM
2717
OH
TYR
B
134
86.847
−36.114
−61.130
1.00
54.69
MOL1
O


ATOM
2718
C
TYR
B
134
80.573
−33.020
−64.854
1.00
57.98
MOL1
C


ATOM
2719
O
TYR
B
134
79.548
−33.544
−64.437
1.00
66.11
MOL1
O


ATOM
2720
N
PRO
B
135
80.602
−32.350
−66.002
1.00
55.25
MOL1
N


ATOM
2721
CD
PRO
B
135
81.773
−31.604
−66.474
1.00
55.20
MOL1
C


ATOM
2722
CA
PRO
B
135
79.462
−32.118
−66.886
1.00
60.31
MOL1
C


ATOM
2723
CB
PRO
B
135
79.797
−30.778
−67.489
1.00
62.52
MOL1
C


ATOM
2724
CG
PRO
B
135
81.253
−30.947
−67.754
1.00
60.17
MOL1
C


ATOM
2725
C
PRO
B
135
79.298
−33.162
−67.980
1.00
61.19
MOL1
C


ATOM
2726
O
PRO
B
135
80.232
−33.431
−68.716
1.00
62.45
MOL1
O


ATOM
2727
N
LEU
B
136
78.113
−33.739
−68.109
1.00
63.16
MOL1
N


ATOM
2728
CA
LEU
B
136
77.899
−34.718
−69.164
1.00
64.19
MOL1
C


ATOM
2729
CB
LEU
B
136
76.916
−35.804
−68.735
1.00
59.59
MOL1
C


ATOM
2730
CG
LEU
B
136
77.425
−37.016
−67.963
1.00
54.68
MOL1
C


ATOM
2731
CD1
LEU
B
136
78.316
−36.594
−66.824
1.00
51.35
MOL1
C


ATOM
2732
CD2
LEU
B
136
76.233
−37.783
−67.448
1.00
50.74
MOL1
C


ATOM
2733
C
LEU
B
136
77.348
−34.011
−70.387
1.00
67.26
MOL1
C


ATOM
2734
O
LEU
B
136
76.183
−33.621
−70.421
1.00
67.76
MOL1
O


ATOM
2735
N
ALA
B
137
78.196
−33.841
−71.391
1.00
71.61
MOL1
N


ATOM
2736
CA
ALA
B
137
77.782
−33.184
−72.626
1.00
74.68
MOL1
C


ATOM
2737
CB
ALA
B
137
78.735
−32.051
−72.966
1.00
78.07
MOL1
C


ATOM
2738
C
ALA
B
137
77.775
−34.205
−73.744
1.00
76.08
MOL1
C


ATOM
2739
O
ALA
B
137
78.578
−35.130
−73.745
1.00
79.25
MOL1
O


ATOM
2740
N
PRO
B
138
76.874
−34.046
−74.718
1.00
77.50
MOL1
N


ATOM
2741
CD
PRO
B
138
75.871
−32.985
−74.845
1.00
79.23
MOL1
C


ATOM
2742
CA
PRO
B
138
76.783
−34.981
−75.841
1.00
82.58
MOL1
C


ATOM
2743
CB
PRO
B
138
75.610
−34.451
−76.653
1.00
78.60
MOL1
C


ATOM
2744
CG
PRO
B
138
75.611
−33.004
−76.329
1.00
85.88
MOL1
C


ATOM
2745
C
PRO
B
138
78.048
−35.128
−76.659
1.00
89.70
MOL1
C


ATOM
2746
O
PRO
B
138
79.032
−34.421
−76.451
1.00
90.70
MOL1
O


ATOM
2747
N
GLY
B
139
78.024
−36.085
−77.574
1.00
98.32
MOL1
N


ATOM
2748
CA
GLY
B
139
79.177
−36.318
−78.413
1.00
113.85
MOL1
C


ATOM
2749
C
GLY
B
139
78.962
−35.612
−79.730
1.00
124.92
MOL1
C


ATOM
2750
O
GLY
B
139
77.951
−34.928
−79.916
1.00
126.20
MOL1
O


ATOM
2751
N
SER
B
140
79.905
−35.768
−80.651
1.00
133.36
MOL1
N


ATOM
2752
CA
SER
B
140
79.789
−35.132
−81.953
1.00
140.03
MOL1
C


ATOM
2753
CB
SER
B
140
81.176
−34.925
−82.550
1.00
140.08
MOL1
C


ATOM
2754
OG
SER
B
140
82.012
−34.265
−81.617
1.00
143.82
MOL1
O


ATOM
2755
C
SER
B
140
78.940
−35.998
−82.879
1.00
145.00
MOL1
C


ATOM
2756
O
SER
B
140
79.256
−36.157
−84.058
1.00
145.81
MOL1
O


ATOM
2757
N
ALA
B
141
77.861
−36.555
−82.331
1.00
150.83
MOL1
N


ATOM
2758
CA
ALA
B
141
76.948
−37.411
−83.087
1.00
154.88
MOL1
C


ATOM
2759
CB
ALA
B
141
76.494
−38.575
−82.222
1.00
155.02
MOL1
C


ATOM
2760
C
ALA
B
141
75.734
−36.636
−83.591
1.00
158.07
MOL1
C


ATOM
2761
O
ALA
B
141
74.611
−37.145
−83.580
1.00
156.84
MOL1
O


ATOM
2762
N
ALA
B
142
75.979
−35.401
−84.024
1.00
162.10
MOL1
N


ATOM
2763
CA
ALA
B
142
74.948
−34.514
−84.556
1.00
163.53
MOL1
C


ATOM
2764
CB
ALA
B
142
74.538
−34.974
−85.957
1.00
164.67
MOL1
C


ATOM
2765
C
ALA
B
142
73.711
−34.363
−83.671
1.00
162.99
MOL1
C


ATOM
2766
O
ALA
B
142
73.661
−34.880
−82.550
1.00
161.99
MOL1
O


ATOM
2767
N
GLN
B
143
72.716
−33.648
−84.196
1.00
162.28
MOL1
N


ATOM
2768
CA
GLN
B
143
71.471
−33.386
−83.480
1.00
160.11
MOL1
C


ATOM
2769
CB
GLN
B
143
71.247
−31.877
−83.359
1.00
156.48
MOL1
C


ATOM
2770
CG
GLN
B
143
69.969
−31.516
−82.638
1.00
150.39
MOL1
C


ATOM
2771
CD
GLN
B
143
69.859
−32.222
−81.307
1.00
146.35
MOL1
C


ATOM
2772
OE1
GLN
B
143
70.743
−32.106
−80.459
1.00
141.00
MOL1
O


ATOM
2773
NE2
GLN
B
143
68.774
−32.966
−81.118
1.00
145.15
MOL1
N


ATOM
2774
C
GLN
B
143
70.235
−34.018
−84.115
1.00
159.54
MOL1
C


ATOM
2775
O
GLN
B
143
69.692
−33.505
−85.095
1.00
158.40
MOL1
O


ATOM
2776
N
THR
B
144
69.796
−35.135
−83.546
1.00
159.59
MOL1
N


ATOM
2777
CA
THR
B
144
68.609
−35.826
−84.032
1.00
157.12
MOL1
C


ATOM
2778
CB
THR
B
144
68.856
−37.357
−84.186
1.00
155.18
MOL1
C


ATOM
2779
OG1
THR
B
144
69.976
−37.584
−85.055
1.00
147.12
MOL1
O


ATOM
2780
CG2
THR
B
144
67.622
−38.043
−84.775
1.00
151.91
MOL1
C


ATOM
2781
C
THR
B
144
67.500
−35.579
−83.006
1.00
156.85
MOL1
C


ATOM
2782
O
THR
B
144
67.773
−35.375
−81.817
1.00
157.41
MOL1
O


ATOM
2783
N
ASN
B
145
66.255
−35.579
−83.474
1.00
153.16
MOL1
N


ATOM
2784
CA
ASN
B
145
65.106
−35.354
−82.604
1.00
147.39
MOL1
C


ATOM
2785
CB
ASN
B
145
65.129
−36.354
−81.432
1.00
151.09
MOL1
C


ATOM
2786
CG
ASN
B
145
63.833
−36.355
−80.623
1.00
153.65
MOL1
C


ATOM
2787
OD1
ASN
B
145
62.736
−36.473
−81.178
1.00
155.14
MOL1
O


ATOM
2788
ND2
ASN
B
145
63.960
−36.238
−79.304
1.00
151.49
MOL1
N


ATOM
2789
C
ASN
B
145
65.089
−33.911
−82.087
1.00
139.28
MOL1
C


ATOM
2790
O
ASN
B
145
66.083
−33.184
−82.169
1.00
134.73
MOL1
O


ATOM
2791
N
SER
B
146
63.942
−33.513
−81.556
1.00
130.39
MOL1
N


ATOM
2792
CA
SER
B
146
63.742
−32.174
−81.039
1.00
121.32
MOL1
C


ATOM
2793
CB
SER
B
146
62.252
−31.872
−81.046
1.00
121.39
MOL1
C


ATOM
2794
OG
SER
B
146
61.539
−32.977
−80.523
1.00
119.93
MOL1
O


ATOM
2795
C
SER
B
146
64.287
−31.963
−79.638
1.00
116.49
MOL1
C


ATOM
2796
O
SER
B
146
64.423
−30.829
−79.190
1.00
117.95
MOL1
O


ATOM
2797
N
MET
B
147
64.606
−33.049
−78.947
1.00
109.47
MOL1
N


ATOM
2798
CA
MET
B
147
65.106
−32.945
−77.581
1.00
99.96
MOL1
C


ATOM
2799
CB
MET
B
147
64.206
−33.771
−76.668
1.00
98.20
MOL1
C


ATOM
2800
CG
MET
B
147
62.771
−33.302
−76.684
1.00
91.48
MOL1
C


ATOM
2801
SD
MET
B
147
62.722
−31.573
−76.210
1.00
87.10
MOL1
S


ATOM
2802
CE
MET
B
147
62.533
−31.694
−74.406
1.00
83.70
MOL1
C


ATOM
2803
C
MET
B
147
66.559
−33.372
−77.387
1.00
93.01
MOL1
C


ATOM
2804
O
MET
B
147
67.080
−34.206
−78.129
1.00
93.00
MOL1
O


ATOM
2805
N
VAL
B
148
67.212
−32.786
−76.388
1.00
82.04
MOL1
N


ATOM
2806
CA
VAL
B
148
68.590
−33.132
−76.080
1.00
80.26
MOL1
C


ATOM
2807
CB
VAL
B
148
69.568
−32.017
−76.436
1.00
73.03
MOL1
C


ATOM
2808
CG1
VAL
B
148
69.355
−31.586
−77.857
1.00
79.27
MOL1
C


ATOM
2809
CG2
VAL
B
148
69.407
−30.862
−75.481
1.00
74.82
MOL1
C


ATOM
2810
C
VAL
B
148
68.728
−33.401
−74.592
1.00
83.56
MOL1
C


ATOM
2811
O
VAL
B
148
68.186
−32.669
−73.762
1.00
88.38
MOL1
O


ATOM
2812
N
THR
B
149
69.455
−34.457
−74.247
1.00
79.56
MOL1
N


ATOM
2813
CA
THR
B
149
69.642
−34.792
−72.845
1.00
65.55
MOL1
C


ATOM
2814
CB
THR
B
149
69.385
−36.266
−72.587
1.00
57.01
MOL1
C


ATOM
2815
OG1
THR
B
149
68.077
−36.610
−73.051
1.00
50.89
MOL1
O


ATOM
2816
CG2
THR
B
149
69.479
−36.550
−71.110
1.00
53.41
MOL1
C


ATOM
2817
C
THR
B
149
71.048
−34.477
−72.394
1.00
60.64
MOL1
C


ATOM
2818
O
THR
B
149
72.009
−34.912
−73.003
1.00
63.37
MOL1
O


ATOM
2819
N
LEU
B
150
71.156
−33.698
−71.331
1.00
57.09
MOL1
N


ATOM
2820
CA
LEU
B
150
72.446
−33.320
−70.776
1.00
56.17
MOL1
C


ATOM
2821
CB
LEU
B
150
72.576
−31.801
−70.667
1.00
51.09
MOL1
C


ATOM
2822
CG
LEU
B
150
72.751
−31.001
−71.961
1.00
48.86
MOL1
C


ATOM
2823
CD1
LEU
B
150
72.505
−31.870
−73.200
1.00
42.57
MOL1
C


ATOM
2824
CD2
LEU
B
150
71.794
−29.820
−71.914
1.00
45.75
MOL1
C


ATOM
2825
C
LEU
B
150
72.550
−33.936
−69.402
1.00
56.81
MOL1
C


ATOM
2826
O
LEU
B
150
71.550
−34.351
−68.825
1.00
56.89
MOL1
O


ATOM
2827
N
GLY
B
151
73.758
−33.992
−68.867
1.00
57.09
MOL1
N


ATOM
2828
CA
GLY
B
151
73.912
−34.609
−67.569
1.00
61.99
MOL1
C


ATOM
2829
C
GLY
B
151
74.929
−33.945
−66.687
1.00
62.66
MOL1
C


ATOM
2830
O
GLY
B
151
75.595
−32.999
−67.085
1.00
67.22
MOL1
O


ATOM
2831
N
CYS
B
152
75.059
−34.462
−65.478
1.00
59.76
MOL1
N


ATOM
2832
CA
CYS
B
152
75.987
−33.897
−64.547
1.00
60.32
MOL1
C


ATOM
2833
C
CYS
B
152
76.411
−34.971
−63.561
1.00
59.67
MOL1
C


ATOM
2834
O
CYS
B
152
75.625
−35.381
−62.715
1.00
62.50
MOL1
O


ATOM
2835
CB
CYS
B
152
75.304
−32.742
−63.842
1.00
66.12
MOL1
C


ATOM
2836
SG
CYS
B
152
76.409
−31.855
−62.723
1.00
92.70
MOL1
S


ATOM
2837
N
LEU
B
153
77.655
−35.432
−63.677
1.00
55.92
MOL1
N


ATOM
2838
CA
LEU
B
153
78.167
−36.475
−62.794
1.00
51.19
MOL1
C


ATOM
2839
CB
LEU
B
153
79.177
−37.346
−63.533
1.00
46.56
MOL1
C


ATOM
2840
CG
LEU
B
153
79.817
−38.482
−62.739
1.00
45.38
MOL1
C


ATOM
2841
CD1
LEU
B
153
78.795
−39.162
−61.856
1.00
45.70
MOL1
C


ATOM
2842
CD2
LEU
B
153
80.412
−39.469
−63.708
1.00
40.29
MOL1
C


ATOM
2843
C
LEU
B
153
78.798
−35.905
−61.543
1.00
48.55
MOL1
C


ATOM
2844
O
LEU
B
153
79.663
−35.045
−61.612
1.00
53.93
MOL1
O


ATOM
2845
N
VAL
B
154
78.349
−36.401
−60.400
1.00
47.25
MOL1
N


ATOM
2846
CA
VAL
B
154
78.826
−35.965
−59.098
1.00
45.87
MOL1
C


ATOM
2847
CB
VAL
B
154
77.657
−35.631
−58.207
1.00
44.57
MOL1
C


ATOM
2848
CG1
VAL
B
154
78.155
−35.068
−56.905
1.00
47.69
MOL1
C


ATOM
2849
CG2
VAL
B
154
76.720
−34.683
−58.936
1.00
41.90
MOL1
C


ATOM
2850
C
VAL
B
154
79.578
−37.129
−58.480
1.00
50.77
MOL1
C


ATOM
2851
O
VAL
B
154
78.977
−38.021
−57.874
1.00
52.29
MOL1
O


ATOM
2852
N
LYS
B
155
80.898
−37.103
−58.611
1.00
51.62
MOL1
N


ATOM
2853
CA
LYS
B
155
81.726
−38.187
−58.128
1.00
47.10
MOL1
C


ATOM
2854
CB
LYS
B
155
82.759
−38.509
−59.200
1.00
45.20
MOL1
C


ATOM
2855
CG
LYS
B
155
82.964
−39.984
−59.438
1.00
48.09
MOL1
C


ATOM
2856
CD
LYS
B
155
83.884
−40.241
−60.616
1.00
49.66
MOL1
C


ATOM
2857
CE
LYS
B
155
83.733
−41.672
−61.098
1.00
53.64
MOL1
C


ATOM
2858
NZ
LYS
B
155
83.873
−42.644
−59.971
1.00
57.44
MOL1
N


ATOM
2859
C
LYS
B
155
82.416
−38.002
−56.791
1.00
48.90
MOL1
C


ATOM
2860
O
LYS
B
155
82.639
−36.886
−56.327
1.00
46.39
MOL1
O


ATOM
2861
N
GLY
B
156
82.741
−39.140
−56.189
1.00
55.33
MOL1
N


ATOM
2862
CA
GLY
B
156
83.435
−39.204
−54.912
1.00
65.86
MOL1
C


ATOM
2863
C
GLY
B
156
83.200
−38.166
−53.833
1.00
69.92
MOL1
C


ATOM
2864
O
GLY
B
156
84.041
−37.293
−53.618
1.00
77.50
MOL1
O


ATOM
2865
N
TYR
B
157
82.068
−38.264
−53.142
1.00
70.11
MOL1
N


ATOM
2866
CA
TYR
B
157
81.761
−37.336
−52.063
1.00
64.80
MOL1
C


ATOM
2867
CB
TYR
B
157
80.689
−36.337
−52.476
1.00
59.00
MOL1
C


ATOM
2868
CG
TYR
B
157
79.327
−36.949
−52.703
1.00
56.79
MOL1
C


ATOM
2869
CD1
TYR
B
157
78.771
−37.001
−53.974
1.00
54.06
MOL1
C


ATOM
2870
CE1
TYR
B
157
77.503
−37.508
−54.172
1.00
57.42
MOL1
C


ATOM
2871
CD2
TYR
B
157
78.574
−37.433
−51.636
1.00
53.29
MOL1
C


ATOM
2872
CE2
TYR
B
157
77.309
−37.942
−51.826
1.00
53.49
MOL1
C


ATOM
2873
CZ
TYR
B
157
76.775
−37.974
−53.093
1.00
54.99
MOL1
C


ATOM
2874
OH
TYR
B
157
75.499
−38.445
−53.273
1.00
54.48
MOL1
O


ATOM
2875
C
TYR
B
157
81.267
−38.141
−50.886
1.00
63.04
MOL1
C


ATOM
2876
O
TYR
B
157
80.821
−39.272
−51.039
1.00
59.06
MOL1
O


ATOM
2877
N
PHE
B
158
81.346
−37.548
−49.708
1.00
69.10
MOL1
N


ATOM
2878
CA
PHE
B
158
80.910
−38.216
−48.493
1.00
74.39
MOL1
C


ATOM
2879
CB
PHE
B
158
81.953
−39.236
−48.058
1.00
65.26
MOL1
C


ATOM
2880
CG
PHE
B
158
81.537
−40.048
−46.880
1.00
64.19
MOL1
C


ATOM
2881
CD1
PHE
B
158
81.138
−41.366
−47.036
1.00
72.15
MOL1
C


ATOM
2882
CD2
PHE
B
158
81.528
−39.500
−45.619
1.00
57.90
MOL1
C


ATOM
2883
CE1
PHE
B
158
80.736
−42.127
−45.947
1.00
68.39
MOL1
C


ATOM
2884
CE2
PHE
B
158
81.128
−40.250
−44.534
1.00
66.03
MOL1
C


ATOM
2885
CZ
PHE
B
158
80.732
−41.566
−44.698
1.00
64.34
MOL1
C


ATOM
2886
C
PHE
B
158
80.699
−37.205
−47.372
1.00
77.11
MOL1
C


ATOM
2887
O
PHE
B
158
81.484
−36.273
−47.214
1.00
76.37
MOL1
O


ATOM
2888
N
PRO
B
159
79.621
−37.374
−46.593
1.00
79.21
MOL1
N


ATOM
2889
CD
PRO
B
159
79.436
−36.783
−45.258
1.00
82.61
MOL1
C


ATOM
2890
CA
PRO
B
159
78.670
−38.466
−46.792
1.00
81.88
MOL1
C


ATOM
2891
CB
PRO
B
159
78.413
−38.939
−45.377
1.00
79.81
MOL1
C


ATOM
2892
CG
PRO
B
159
78.304
−37.633
−44.661
1.00
83.36
MOL1
C


ATOM
2893
C
PRO
B
159
77.401
−37.925
−47.440
1.00
83.67
MOL1
C


ATOM
2894
O
PRO
B
159
77.364
−36.787
−47.913
1.00
79.92
MOL1
O


ATOM
2895
N
GLU
B
160
76.361
−38.748
−47.469
1.00
84.54
MOL1
N


ATOM
2896
CA
GLU
B
160
75.104
−38.307
−48.032
1.00
83.10
MOL1
C


ATOM
2897
CB
GLU
B
160
74.082
−39.444
−47.971
1.00
85.56
MOL1
C


ATOM
2898
CG
GLU
B
160
74.270
−40.523
−49.046
1.00
82.66
MOL1
C


ATOM
2899
CD
GLU
B
160
73.359
−40.326
−50.260
1.00
85.85
MOL1
C


ATOM
2900
OE1
GLU
B
160
73.429
−39.260
−50.926
1.00
75.99
MOL1
O


ATOM
2901
OE2
GLU
B
160
72.565
−41.251
−50.541
1.00
87.30
MOL1
O


ATOM
2902
C
GLU
B
160
74.687
−37.133
−47.156
1.00
83.85
MOL1
C


ATOM
2903
O
GLU
B
160
75.079
−37.043
−46.002
1.00
91.45
MOL1
O


ATOM
2904
N
PRO
B
161
73.876
−36.225
−47.687
1.00
84.59
MOL1
N


ATOM
2905
CD
PRO
B
161
73.067
−35.272
−46.909
1.00
87.46
MOL1
C


ATOM
2906
CA
PRO
B
161
73.371
−36.300
−49.047
1.00
89.94
MOL1
C


ATOM
2907
CB
PRO
B
161
71.877
−36.223
−48.826
1.00
94.06
MOL1
C


ATOM
2908
CG
PRO
B
161
71.822
−35.061
−47.816
1.00
92.06
MOL1
C


ATOM
2909
C
PRO
B
161
73.854
−35.095
−49.828
1.00
89.06
MOL1
C


ATOM
2910
O
PRO
B
161
74.339
−34.119
−49.257
1.00
90.78
MOL1
O


ATOM
2911
N
VAL
B
162
73.706
−35.170
−51.140
1.00
84.16
MOL1
N


ATOM
2912
CA
VAL
B
162
74.078
−34.072
−51.996
1.00
81.00
MOL1
C


ATOM
2913
CB
VAL
B
162
75.002
−34.526
−53.121
1.00
79.53
MOL1
C


ATOM
2914
CG1
VAL
B
162
75.202
−33.410
−54.113
1.00
81.10
MOL1
C


ATOM
2915
CG2
VAL
B
162
76.316
−34.922
−52.553
1.00
79.59
MOL1
C


ATOM
2916
C
VAL
B
162
72.760
−33.631
−52.583
1.00
81.88
MOL1
C


ATOM
2917
O
VAL
B
162
71.836
−34.439
−52.701
1.00
83.89
MOL1
O


ATOM
2918
N
THR
B
163
72.657
−32.356
−52.935
1.00
79.62
MOL1
N


ATOM
2919
CA
THR
B
163
71.424
−31.850
−53.511
1.00
83.82
MOL1
C


ATOM
2920
CB
THR
B
163
70.814
−30.706
−52.668
1.00
88.23
MOL1
C


ATOM
2921
OG1
THR
B
163
71.513
−29.485
−52.941
1.00
92.89
MOL1
O


ATOM
2922
CG2
THR
B
163
70.906
−31.022
−51.178
1.00
90.95
MOL1
C


ATOM
2923
C
THR
B
163
71.715
−31.297
−54.890
1.00
82.59
MOL1
C


ATOM
2924
O
THR
B
163
72.513
−30.376
−55.037
1.00
83.05
MOL1
O


ATOM
2925
N
VAL
B
164
71.071
−31.855
−55.904
1.00
82.18
MOL1
N


ATOM
2926
CA
VAL
B
164
71.288
−31.372
−57.252
1.00
81.58
MOL1
C


ATOM
2927
CB
VAL
B
164
71.659
−32.497
−58.183
1.00
79.13
MOL1
C


ATOM
2928
CG1
VAL
B
164
71.828
−31.964
−59.589
1.00
80.19
MOL1
C


ATOM
2929
CG2
VAL
B
164
72.927
−33.140
−57.694
1.00
81.90
MOL1
C


ATOM
2930
C
VAL
B
164
70.059
−30.683
−57.793
1.00
85.73
MOL1
C


ATOM
2931
O
VAL
B
164
68.930
−31.037
−57.445
1.00
90.71
MOL1
O


ATOM
2932
N
THR
B
165
70.293
−29.690
−58.646
1.00
85.71
MOL1
N


ATOM
2933
CA
THR
B
165
69.223
−28.911
−59.254
1.00
86.99
MOL1
C


ATOM
2934
CB
THR
B
165
68.794
−27.760
−58.365
1.00
84.35
MOL1
C


ATOM
2935
OG1
THR
B
165
68.662
−26.588
−59.174
1.00
86.68
MOL1
O


ATOM
2936
CG2
THR
B
165
69.826
−27.504
−57.282
1.00
82.83
MOL1
C


ATOM
2937
C
THR
B
165
69.696
−28.297
−60.557
1.00
87.96
MOL1
C


ATOM
2938
O
THR
B
165
70.889
−28.119
−60.763
1.00
89.58
MOL1
O


ATOM
2939
N
TRP
B
166
68.764
−27.957
−61.436
1.00
89.74
MOL1
N


ATOM
2940
CA
TRP
B
166
69.156
−27.363
−62.703
1.00
95.35
MOL1
C


ATOM
2941
CB
TRP
B
166
68.700
−28.246
−63.870
1.00
95.27
MOL1
C


ATOM
2942
CG
TRP
B
166
69.333
−29.610
−63.827
1.00
92.11
MOL1
C


ATOM
2943
CD2
TRP
B
166
70.536
−30.013
−64.481
1.00
91.36
MOL1
C


ATOM
2944
CE2
TRP
B
166
70.811
−31.331
−64.076
1.00
90.40
MOL1
C


ATOM
2945
CE3
TRP
B
166
71.412
−29.386
−65.367
1.00
93.22
MOL1
C


ATOM
2946
CD1
TRP
B
166
68.934
−30.675
−63.077
1.00
91.33
MOL1
C


ATOM
2947
NE1
TRP
B
166
69.817
−31.714
−63.218
1.00
88.04
MOL1
N


ATOM
2948
CZ2
TRP
B
166
71.921
−32.029
−64.523
1.00
94.04
MOL1
C


ATOM
2949
CZ3
TRP
B
166
72.514
−30.079
−65.811
1.00
92.47
MOL1
C


ATOM
2950
CH2
TRP
B
166
72.760
−31.385
−65.390
1.00
95.29
MOL1
C


ATOM
2951
C
TRP
B
166
68.626
−25.945
−62.851
1.00
99.39
MOL1
C


ATOM
2952
O
TRP
B
166
67.432
−25.692
−62.691
1.00
105.82
MOL1
O


ATOM
2953
N
ASN
B
167
69.539
−25.026
−63.159
1.00
99.81
MOL1
N


ATOM
2954
CA
ASN
B
167
69.233
−23.606
−63.308
1.00
98.01
MOL1
C


ATOM
2955
CB
ASN
B
167
68.418
−23.362
−64.586
1.00
91.86
MOL1
C


ATOM
2956
CG
ASN
B
167
69.292
−23.352
−65.848
1.00
87.45
MOL1
C


ATOM
2957
OD1
ASN
B
167
70.279
−22.622
−65.929
1.00
83.06
MOL1
O


ATOM
2958
ND2
ASN
B
167
68.921
−24.153
−66.833
1.00
86.61
MOL1
N


ATOM
2959
C
ASN
B
167
68.531
−23.075
−62.051
1.00
97.63
MOL1
C


ATOM
2960
O
ASN
B
167
67.612
−22.263
−62.099
1.00
95.45
MOL1
O


ATOM
2961
N
SER
B
168
69.013
−23.571
−60.920
1.00
99.16
MOL1
N


ATOM
2962
CA
SER
B
168
68.530
−23.209
−59.605
1.00
103.13
MOL1
C


ATOM
2963
CB
SER
B
168
68.962
−21.781
−59.282
1.00
105.76
MOL1
C


ATOM
2964
OG
SER
B
168
70.379
−21.701
−59.186
1.00
104.13
MOL1
O


ATOM
2965
C
SER
B
168
67.034
−23.389
−59.391
1.00
105.80
MOL1
C


ATOM
2966
O
SER
B
168
66.469
−22.866
−58.430
1.00
112.60
MOL1
O


ATOM
2967
N
GLY
B
169
66.396
−24.151
−60.271
1.00
103.98
MOL1
N


ATOM
2968
CA
GLY
B
169
64.975
−24.395
−60.122
1.00
102.24
MOL1
C


ATOM
2969
C
GLY
B
169
64.203
−24.118
−61.390
1.00
101.31
MOL1
C


ATOM
2970
O
GLY
B
169
63.037
−24.491
−61.506
1.00
101.78
MOL1
O


ATOM
2971
N
SER
B
170
64.851
−23.459
−62.344
1.00
100.43
MOL1
N


ATOM
2972
CA
SER
B
170
64.206
−23.136
−63.610
1.00
103.82
MOL1
C


ATOM
2973
CB
SER
B
170
65.167
−22.362
−64.524
1.00
105.34
MOL1
C


ATOM
2974
OG
SER
B
170
65.513
−21.096
−63.976
1.00
106.93
MOL1
O


ATOM
2975
C
SER
B
170
63.739
−24.410
−64.312
1.00
103.24
MOL1
C


ATOM
2976
O
SER
B
170
62.668
−24.447
−64.916
1.00
104.85
MOL1
O


ATOM
2977
N
LEU
B
171
64.552
−25.454
−64.220
1.00
101.77
MOL1
N


ATOM
2978
CA
LEU
B
171
64.245
−26.737
−64.838
1.00
97.44
MOL1
C


ATOM
2979
CB
LEU
B
171
65.469
−27.234
−65.596
1.00
85.50
MOL1
C


ATOM
2980
CG
LEU
B
171
65.734
−26.597
−66.954
1.00
75.09
MOL1
C


ATOM
2981
CD1
LEU
B
171
65.330
−25.148
−66.967
1.00
81.51
MOL1
C


ATOM
2982
CD2
LEU
B
171
67.183
−26.741
−67.257
1.00
74.81
MOL1
C


ATOM
2983
C
LEU
B
171
63.859
−27.751
−63.774
1.00
100.19
MOL1
C


ATOM
2984
O
LEU
B
171
64.701
−28.165
−62.975
1.00
99.25
MOL1
O


ATOM
2985
N
SER
B
172
62.593
−28.153
−63.756
1.00
103.78
MOL1
N


ATOM
2986
CA
SER
B
172
62.139
−29.123
−62.766
1.00
111.40
MOL1
C


ATOM
2987
CB
SER
B
172
61.091
−28.490
−61.843
1.00
118.82
MOL1
C


ATOM
2988
OG
SER
B
172
60.013
−27.933
−62.582
1.00
129.27
MOL1
O


ATOM
2989
C
SER
B
172
61.560
−30.351
−63.450
1.00
110.58
MOL1
C


ATOM
2990
O
SER
B
172
61.656
−31.471
−62.938
1.00
109.57
MOL1
O


ATOM
2991
N
SER
B
173
60.966
−30.128
−64.615
1.00
109.96
MOL1
N


ATOM
2992
CA
SER
B
173
60.360
−31.200
−65.385
1.00
110.01
MOL1
C


ATOM
2993
CB
SER
B
173
59.115
−30.675
−66.105
1.00
115.15
MOL1
C


ATOM
2994
OG
SER
B
173
59.278
−29.312
−66.472
1.00
120.73
MOL1
O


ATOM
2995
C
SER
B
173
61.354
−31.773
−66.381
1.00
106.83
MOL1
C


ATOM
2996
O
SER
B
173
62.180
−31.047
−66.939
1.00
106.61
MOL1
O


ATOM
2997
N
GLY
B
174
61.272
−33.082
−66.594
1.00
103.41
MOL1
N


ATOM
2998
CA
GLY
B
174
62.182
−33.735
−67.519
1.00
98.00
MOL1
C


ATOM
2999
C
GLY
B
174
63.556
−33.909
−66.902
1.00
90.42
MOL1
C


ATOM
3000
O
GLY
B
174
64.568
−34.021
−67.598
1.00
90.12
MOL1
O


ATOM
3001
N
VAL
B
175
63.590
−33.928
−65.579
1.00
82.41
MOL1
N


ATOM
3002
CA
VAL
B
175
64.839
−34.086
−64.867
1.00
75.83
MOL1
C


ATOM
3003
CB
VAL
B
175
65.078
−32.923
−63.895
1.00
72.58
MOL1
C


ATOM
3004
CG1
VAL
B
175
65.923
−33.385
−62.725
1.00
68.11
MOL1
C


ATOM
3005
CG2
VAL
B
175
65.777
−31.797
−64.621
1.00
69.58
MOL1
C


ATOM
3006
C
VAL
B
175
64.865
−35.377
−64.087
1.00
73.80
MOL1
C


ATOM
3007
O
VAL
B
175
63.891
−35.744
−63.435
1.00
76.99
MOL1
O


ATOM
3008
N
HIS
B
176
65.995
−36.064
−64.164
1.00
69.57
MOL1
N


ATOM
3009
CA
HIS
B
176
66.170
−37.313
−63.459
1.00
63.67
MOL1
C


ATOM
3010
CB
HIS
B
176
66.184
−38.477
−64.440
1.00
59.02
MOL1
C


ATOM
3011
CG
HIS
B
176
64.846
−38.786
−65.024
1.00
54.57
MOL1
C


ATOM
3012
CD2
HIS
B
176
64.443
−38.915
−66.310
1.00
56.32
MOL1
C


ATOM
3013
ND1
HIS
B
176
63.741
−39.040
−64.245
1.00
47.59
MOL1
N


ATOM
3014
CE1
HIS
B
176
62.712
−39.314
−65.028
1.00
57.73
MOL1
C


ATOM
3015
NE2
HIS
B
176
63.111
−39.245
−66.286
1.00
55.09
MOL1
N


ATOM
3016
C
HIS
B
176
67.473
−37.301
−62.687
1.00
60.01
MOL1
C


ATOM
3017
O
HIS
B
176
68.550
−37.359
−63.277
1.00
63.17
MOL1
O


ATOM
3018
N
THR
B
177
67.377
−37.199
−61.369
1.00
49.33
MOL1
N


ATOM
3019
CA
THR
B
177
68.564
−37.228
−60.542
1.00
44.72
MOL1
C


ATOM
3020
CB
THR
B
177
68.535
−36.154
−59.466
1.00
44.70
MOL1
C


ATOM
3021
OG1
THR
B
177
68.910
−34.901
−60.048
1.00
47.85
MOL1
O


ATOM
3022
CG2
THR
B
177
69.493
−36.513
−58.319
1.00
37.69
MOL1
C


ATOM
3023
C
THR
B
177
68.557
−38.587
−59.883
1.00
44.14
MOL1
C


ATOM
3024
O
THR
B
177
67.717
−38.863
−59.032
1.00
48.38
MOL1
O


ATOM
3025
N
PHE
B
178
69.496
−39.437
−60.276
1.00
36.90
MOL1
N


ATOM
3026
CA
PHE
B
178
69.556
−40.784
−59.757
1.00
35.45
MOL1
C


ATOM
3027
CB
PHE
B
178
70.324
−41.622
−60.749
1.00
34.29
MOL1
C


ATOM
3028
CG
PHE
B
178
69.831
−41.470
−62.154
1.00
34.63
MOL1
C


ATOM
3029
CD1
PHE
B
178
68.988
−42.419
−62.722
1.00
41.22
MOL1
C


ATOM
3030
CD2
PHE
B
178
70.168
−40.363
−62.898
1.00
31.17
MOL1
C


ATOM
3031
CE1
PHE
B
178
68.489
−42.261
−64.007
1.00
31.40
MOL1
C


ATOM
3032
CE2
PHE
B
178
69.671
−40.200
−64.187
1.00
36.21
MOL1
C


ATOM
3033
CZ
PHE
B
178
68.834
−41.147
−64.735
1.00
34.22
MOL1
C


ATOM
3034
C
PHE
B
178
70.133
−40.938
−58.361
1.00
38.82
MOL1
C


ATOM
3035
O
PHE
B
178
70.817
−40.066
−57.844
1.00
41.93
MOL1
O


ATOM
3036
N
PRO
B
179
69.823
−42.053
−57.717
1.00
39.92
MOL1
N


ATOM
3037
CD
PRO
B
179
68.718
−42.912
−58.147
1.00
42.26
MOL1
C


ATOM
3038
CA
PRO
B
179
70.266
−42.412
−56.374
1.00
47.21
MOL1
C


ATOM
3039
CB
PRO
B
179
69.563
−43.732
−56.129
1.00
46.52
MOL1
C


ATOM
3040
CG
PRO
B
179
68.292
−43.536
−56.842
1.00
52.05
MOL1
C


ATOM
3041
C
PRO
B
179
71.763
−42.577
−56.319
1.00
55.33
MOL1
C


ATOM
3042
O
PRO
B
179
72.362
−43.179
−57.207
1.00
63.13
MOL1
O


ATOM
3043
N
ALA
B
180
72.374
−42.053
−55.270
1.00
61.91
MOL1
N


ATOM
3044
CA
ALA
B
180
73.815
−42.181
−55.123
1.00
66.51
MOL1
C


ATOM
3045
CB
ALA
B
180
74.289
−41.361
−53.931
1.00
67.83
MOL1
C


ATOM
3046
C
ALA
B
180
74.169
−43.653
−54.925
1.00
65.38
MOL1
C


ATOM
3047
O
ALA
B
180
73.400
−44.417
−54.350
1.00
64.94
MOL1
O


ATOM
3048
N
VAL
B
181
75.335
−44.050
−55.410
1.00
64.96
MOL1
N


ATOM
3049
CA
VAL
B
181
75.767
−45.420
−55.260
1.00
65.29
MOL1
C


ATOM
3050
CB
VAL
B
181
75.769
−46.121
−56.625
1.00
61.30
MOL1
C


ATOM
3051
CG1
VAL
B
181
76.559
−45.307
−57.626
1.00
64.46
MOL1
C


ATOM
3052
CG2
VAL
B
181
76.329
−47.508
−56.486
1.00
64.55
MOL1
C


ATOM
3053
C
VAL
B
181
77.149
−45.427
−54.610
1.00
66.47
MOL1
C


ATOM
3054
O
VAL
B
181
77.930
−44.495
−54.776
1.00
67.34
MOL1
O


ATOM
3055
N
LEU
B
182
77.437
−46.476
−53.857
1.00
69.39
MOL1
N


ATOM
3056
CA
LEU
B
182
78.691
−46.592
−53.137
1.00
78.26
MOL1
C


ATOM
3057
CB
LEU
B
182
78.452
−47.552
−51.971
1.00
70.74
MOL1
C


ATOM
3058
CG
LEU
B
182
79.035
−47.244
−50.592
1.00
65.11
MOL1
C


ATOM
3059
CD1
LEU
B
182
78.896
−45.782
−50.266
1.00
60.40
MOL1
C


ATOM
3060
CD2
LEU
B
182
78.320
−48.081
−49.560
1.00
60.68
MOL1
C


ATOM
3061
C
LEU
B
182
79.862
−47.069
−54.004
1.00
87.33
MOL1
C


ATOM
3062
O
LEU
B
182
79.929
−48.242
−54.360
1.00
91.59
MOL1
O


ATOM
3063
N
GLN
B
183
80.782
−46.166
−54.347
1.00
95.95
MOL1
N


ATOM
3064
CA
GLN
B
183
81.940
−46.550
−55.159
1.00
103.35
MOL1
C


ATOM
3065
CB
GLN
B
183
82.149
−45.585
−56.339
1.00
105.01
MOL1
C


ATOM
3066
CG
GLN
B
183
82.928
−46.219
−57.510
1.00
108.00
MOL1
C


ATOM
3067
CD
GLN
B
183
83.172
−45.267
−58.686
1.00
107.81
MOL1
C


ATOM
3068
OE1
GLN
B
183
82.239
−44.649
−59.208
1.00
102.97
MOL1
O


ATOM
3069
NE2
GLN
B
183
84.433
−45.161
−59.114
1.00
106.13
MOL1
N


ATOM
3070
C
GLN
B
183
83.192
−46.588
−54.282
1.00
107.21
MOL1
C


ATOM
3071
O
GLN
B
183
83.994
−45.644
−54.255
1.00
107.06
MOL1
O


ATOM
3072
N
SER
B
184
83.338
−47.696
−53.560
1.00
108.45
MOL1
N


ATOM
3073
CA
SER
B
184
84.467
−47.900
−52.670
1.00
106.07
MOL1
C


ATOM
3074
CB
SER
B
184
85.754
−48.042
−53.491
1.00
109.58
MOL1
C


ATOM
3075
OG
SER
B
184
85.668
−49.151
−54.380
1.00
107.72
MOL1
O


ATOM
3076
C
SER
B
184
84.577
−46.756
−51.664
1.00
102.55
MOL1
C


ATOM
3077
O
SER
B
184
85.286
−45.768
−51.876
1.00
98.16
MOL1
O


ATOM
3078
N
ASP
B
185
83.833
−46.908
−50.576
1.00
99.87
MOL1
N


ATOM
3079
CA
ASP
B
185
83.800
−45.945
−49.489
1.00
99.99
MOL1
C


ATOM
3080
CB
ASP
B
185
85.049
−46.132
−48.633
1.00
113.23
MOL1
C


ATOM
3081
CG
ASP
B
185
85.294
−47.599
−48.287
1.00
121.20
MOL1
C


ATOM
3082
OD1
ASP
B
185
84.360
−48.258
−47.771
1.00
123.76
MOL1
O


ATOM
3083
OD2
ASP
B
185
86.417
−48.092
−48.537
1.00
125.07
MOL1
O


ATOM
3084
C
ASP
B
185
83.642
−44.500
−49.939
1.00
93.27
MOL1
C


ATOM
3085
O
ASP
B
185
84.261
−43.592
−49.402
1.00
91.74
MOL1
O


ATOM
3086
N
LEU
B
186
82.783
−44.297
−50.926
1.00
89.70
MOL1
N


ATOM
3087
CA
LEU
B
186
82.510
−42.969
−51.455
1.00
86.69
MOL1
C


ATOM
3088
CB
LEU
B
186
83.707
−42.465
−52.251
1.00
88.84
MOL1
C


ATOM
3089
CG
LEU
B
186
84.700
−41.676
−51.407
1.00
89.92
MOL1
C


ATOM
3090
CD1
LEU
B
186
86.042
−41.580
−52.110
1.00
95.15
MOL1
C


ATOM
3091
CD2
LEU
B
186
84.116
−40.304
−51.137
1.00
92.37
MOL1
C


ATOM
3092
C
LEU
B
186
81.261
−42.961
−52.331
1.00
83.18
MOL1
C


ATOM
3093
O
LEU
B
186
81.013
−43.903
−53.083
1.00
80.46
MOL1
O


ATOM
3094
N
TYR
B
187
80.475
−41.892
−52.231
1.00
79.09
MOL1
N


ATOM
3095
CA
TYR
B
187
79.246
−41.781
−53.008
1.00
71.05
MOL1
C


ATOM
3096
CB
TYR
B
187
78.164
−41.040
−52.218
1.00
61.53
MOL1
C


ATOM
3097
CG
TYR
B
187
77.685
−41.764
−50.982
1.00
57.01
MOL1
C


ATOM
3098
CD1
TYR
B
187
77.217
−43.059
−51.049
1.00
55.02
MOL1
C


ATOM
3099
CE1
TYR
B
187
76.772
−43.715
−49.925
1.00
55.39
MOL1
C


ATOM
3100
CD2
TYR
B
187
77.693
−41.144
−49.751
1.00
61.70
MOL1
C


ATOM
3101
CE2
TYR
B
187
77.248
−41.797
−48.616
1.00
66.45
MOL1
C


ATOM
3102
CZ
TYR
B
187
76.790
−43.084
−48.709
1.00
63.73
MOL1
C


ATOM
3103
OH
TYR
B
187
76.358
−43.739
−47.574
1.00
69.10
MOL1
O


ATOM
3104
C
TYR
B
187
79.427
−41.100
−54.353
1.00
70.21
MOL1
C


ATOM
3105
O
TYR
B
187
80.110
−40.085
−54.474
1.00
70.77
MOL1
O


ATOM
3106
N
THR
B
188
78.791
−41.680
−55.362
1.00
69.39
MOL1
N


ATOM
3107
CA
THR
B
188
78.835
−41.170
−56.723
1.00
67.27
MOL1
C


ATOM
3108
CB
THR
B
188
79.666
−42.073
−57.625
1.00
69.30
MOL1
C


ATOM
3109
OG1
THR
B
188
81.015
−42.117
−57.148
1.00
79.26
MOL1
O


ATOM
3110
CG2
THR
B
188
79.631
−41.560
−59.049
1.00
66.69
MOL1
C


ATOM
3111
C
THR
B
188
77.423
−41.187
−57.269
1.00
63.71
MOL1
C


ATOM
3112
O
THR
B
188
76.751
−42.216
−57.202
1.00
65.03
MOL1
O


ATOM
3113
N
LEU
B
189
76.966
−40.062
−57.806
1.00
54.59
MOL1
N


ATOM
3114
CA
LEU
B
189
75.628
−40.017
−58.361
1.00
49.73
MOL1
C


ATOM
3115
CB
LEU
B
189
74.648
−39.449
−57.338
1.00
42.85
MOL1
C


ATOM
3116
CG
LEU
B
189
74.286
−37.964
−57.332
1.00
45.67
MOL1
C


ATOM
3117
CD1
LEU
B
189
73.527
−37.544
−58.587
1.00
38.70
MOL1
C


ATOM
3118
CD2
LEU
B
189
73.423
−37.721
−56.134
1.00
37.05
MOL1
C


ATOM
3119
C
LEU
B
189
75.625
−39.179
−59.619
1.00
50.85
MOL1
C


ATOM
3120
O
LEU
B
189
76.489
−38.333
−59.805
1.00
54.33
MOL1
O


ATOM
3121
N
SER
B
190
74.649
−39.424
−60.482
1.00
52.64
MOL1
N


ATOM
3122
CA
SER
B
190
74.530
−38.697
−61.735
1.00
54.20
MOL1
C


ATOM
3123
CB
SER
B
190
74.757
−39.646
−62.900
1.00
57.86
MOL1
C


ATOM
3124
OG
SER
B
190
73.943
−40.796
−62.755
1.00
67.10
MOL1
O


ATOM
3125
C
SER
B
190
73.143
−38.105
−61.849
1.00
54.39
MOL1
C


ATOM
3126
O
SER
B
190
72.240
−38.492
−61.119
1.00
54.55
MOL1
O


ATOM
3127
N
SER
B
191
72.972
−37.167
−62.769
1.00
55.30
MOL1
N


ATOM
3128
CA
SER
B
191
71.674
−36.547
−62.973
1.00
54.42
MOL1
C


ATOM
3129
CB
SER
B
191
71.467
−35.389
−62.014
1.00
54.05
MOL1
C


ATOM
3130
OG
SER
B
191
70.266
−34.717
−62.335
1.00
58.62
MOL1
O


ATOM
3131
C
SER
B
191
71.542
−36.039
−64.387
1.00
55.25
MOL1
C


ATOM
3132
O
SER
B
191
72.363
−35.252
−64.845
1.00
55.60
MOL1
O


ATOM
3133
N
SER
B
192
70.503
−36.496
−65.075
1.00
57.49
MOL1
N


ATOM
3134
CA
SER
B
192
70.266
−36.083
−66.447
1.00
61.32
MOL1
C


ATOM
3135
CB
SER
B
192
69.892
−37.274
−67.324
1.00
65.44
MOL1
C


ATOM
3136
OG
SER
B
192
68.551
−37.665
−67.081
1.00
73.00
MOL1
O


ATOM
3137
C
SER
B
192
69.132
−35.086
−66.492
1.00
59.32
MOL1
C


ATOM
3138
O
SER
B
192
68.349
−34.980
−65.556
1.00
58.01
MOL1
O


ATOM
3139
N
VAL
B
193
69.059
−34.361
−67.599
1.00
59.58
MOL1
N


ATOM
3140
CA
VAL
B
193
68.026
−33.364
−67.820
1.00
59.14
MOL1
C


ATOM
3141
CB
VAL
B
193
68.414
−31.991
−67.232
1.00
58.14
MOL1
C


ATOM
3142
CG1
VAL
B
193
69.794
−31.566
−67.710
1.00
50.78
MOL1
C


ATOM
3143
CG2
VAL
B
193
67.375
−30.971
−67.633
1.00
54.34
MOL1
C


ATOM
3144
C
VAL
B
193
67.775
−33.209
−69.307
1.00
60.40
MOL1
C


ATOM
3145
O
VAL
B
193
68.679
−32.894
−70.076
1.00
63.83
MOL1
O


ATOM
3146
N
THR
B
194
66.545
−33.448
−69.725
1.00
59.61
MOL1
N


ATOM
3147
CA
THR
B
194
66.239
−33.325
−71.133
1.00
67.96
MOL1
C


ATOM
3148
CB
THR
B
194
65.172
−34.333
−71.551
1.00
68.81
MOL1
C


ATOM
3149
OG1
THR
B
194
65.509
−35.610
−70.996
1.00
77.62
MOL1
O


ATOM
3150
CG2
THR
B
194
65.114
−34.466
−73.079
1.00
63.49
MOL1
C


ATOM
3151
C
THR
B
194
65.791
−31.904
−71.423
1.00
73.21
MOL1
C


ATOM
3152
O
THR
B
194
65.368
−31.179
−70.527
1.00
76.10
MOL1
O


ATOM
3153
N
VAL
B
195
65.883
−31.506
−72.684
1.00
76.41
MOL1
N


ATOM
3154
CA
VAL
B
195
65.545
−30.150
−73.068
1.00
74.34
MOL1
C


ATOM
3155
CB
VAL
B
195
66.631
−29.206
−72.555
1.00
66.37
MOL1
C


ATOM
3156
CG1
VAL
B
195
67.130
−28.335
−73.675
1.00
61.14
MOL1
C


ATOM
3157
CG2
VAL
B
195
66.110
−28.397
−71.401
1.00
63.66
MOL1
C


ATOM
3158
C
VAL
B
195
65.457
−30.016
−74.585
1.00
81.67
MOL1
C


ATOM
3159
O
VAL
B
195
66.125
−30.733
−75.325
1.00
83.13
MOL1
O


ATOM
3160
N
PRO
B
196
64.634
−29.081
−75.066
1.00
88.47
MOL1
N


ATOM
3161
CD
PRO
B
196
63.774
−28.181
−74.282
1.00
92.03
MOL1
C


ATOM
3162
CA
PRO
B
196
64.462
−28.854
−76.506
1.00
91.83
MOL1
C


ATOM
3163
CB
PRO
B
196
63.408
−27.750
−76.561
1.00
93.80
MOL1
C


ATOM
3164
CG
PRO
B
196
62.659
−27.902
−75.253
1.00
94.40
MOL1
C


ATOM
3165
C
PRO
B
196
65.763
−28.429
−77.180
1.00
94.22
MOL1
C


ATOM
3166
O
PRO
B
196
66.427
−27.493
−76.734
1.00
92.88
MOL1
O


ATOM
3167
N
SER
B
197
66.113
−29.115
−78.262
1.00
97.48
MOL1
N


ATOM
3168
CA
SER
B
197
67.334
−28.826
−79.007
1.00
100.32
MOL1
C


ATOM
3169
CB
SER
B
197
67.385
−29.693
−80.272
1.00
96.90
MOL1
C


ATOM
3170
OG
SER
B
197
66.139
−29.707
−80.948
1.00
94.23
MOL1
O


ATOM
3171
C
SER
B
197
67.478
−27.356
−79.377
1.00
104.09
MOL1
C


ATOM
3172
O
SER
B
197
68.592
−26.849
−79.514
1.00
104.50
MOL1
O


ATOM
3173
N
SER
B
198
66.347
−26.674
−79.533
1.00
109.43
MOL1
N


ATOM
3174
CA
SER
B
198
66.355
−25.263
−79.897
1.00
110.51
MOL1
C


ATOM
3175
CB
SER
B
198
64.976
−24.833
−80.411
1.00
108.99
MOL1
C


ATOM
3176
OG
SER
B
198
63.989
−24.930
−79.401
1.00
111.15
MOL1
O


ATOM
3177
C
SER
B
198
66.780
−24.372
−78.733
1.00
109.23
MOL1
C


ATOM
3178
O
SER
B
198
67.292
−23.275
−78.952
1.00
110.24
MOL1
O


ATOM
3179
N
THR
B
199
66.580
−24.848
−77.503
1.00
108.30
MOL1
N


ATOM
3180
CA
THR
B
199
66.951
−24.080
−76.310
1.00
110.76
MOL1
C


ATOM
3181
CB
THR
B
199
65.942
−24.276
−75.138
1.00
113.30
MOL1
C


ATOM
3182
OG1
THR
B
199
65.832
−25.667
−74.821
1.00
114.54
MOL1
O


ATOM
3183
CG2
THR
B
199
64.566
−23.722
−75.502
1.00
118.95
MOL1
C


ATOM
3184
C
THR
B
199
68.343
−24.413
−75.769
1.00
108.82
MOL1
C


ATOM
3185
O
THR
B
199
68.614
−24.202
−74.584
1.00
105.85
MOL1
O


ATOM
3186
N
TRP
B
200
69.208
−24.946
−76.633
1.00
107.48
MOL1
N


ATOM
3187
CA
TRP
B
200
70.586
−25.292
−76.269
1.00
103.53
MOL1
C


ATOM
3188
CB
TRP
B
200
70.656
−26.539
−75.387
1.00
95.81
MOL1
C


ATOM
3189
CG
TRP
B
200
72.013
−26.735
−74.724
1.00
90.49
MOL1
C


ATOM
3190
CD2
TRP
B
200
73.033
−27.677
−75.094
1.00
86.20
MOL1
C


ATOM
3191
CE2
TRP
B
200
74.106
−27.515
−74.183
1.00
82.66
MOL1
C


ATOM
3192
CE3
TRP
B
200
73.144
−28.641
−76.103
1.00
80.27
MOL1
C


ATOM
3193
CD1
TRP
B
200
72.503
−26.059
−73.638
1.00
91.69
MOL1
C


ATOM
3194
NE1
TRP
B
200
73.758
−26.523
−73.306
1.00
84.66
MOL1
N


ATOM
3195
CZ2
TRP
B
200
75.265
−28.278
−74.254
1.00
77.42
MOL1
C


ATOM
3196
CZ3
TRP
B
200
74.296
−29.397
−76.170
1.00
74.97
MOL1
C


ATOM
3197
CH2
TRP
B
200
75.341
−29.213
−75.252
1.00
78.91
MOL1
C


ATOM
3198
C
TRP
B
200
71.377
−25.572
−77.531
1.00
106.26
MOL1
C


ATOM
3199
O
TRP
B
200
70.889
−26.238
−78.443
1.00
105.91
MOL1
O


ATOM
3200
N
PRO
B
201
72.622
−25.080
−77.597
1.00
109.15
MOL1
N


ATOM
3201
CD
PRO
B
201
73.557
−25.484
−78.659
1.00
106.75
MOL1
C


ATOM
3202
CA
PRO
B
201
73.313
−24.290
−76.566
1.00
110.89
MOL1
C


ATOM
3203
CB
PRO
B
201
74.772
−24.323
−77.019
1.00
108.78
MOL1
C


ATOM
3204
CG
PRO
B
201
74.846
−25.553
−77.912
1.00
108.54
MOL1
C


ATOM
3205
C
PRO
B
201
72.801
−22.855
−76.450
1.00
114.98
MOL1
C


ATOM
3206
O
PRO
B
201
73.366
−22.051
−75.706
1.00
115.76
MOL1
O


ATOM
3207
N
SER
B
202
71.742
−22.545
−77.201
1.00
117.80
MOL1
N


ATOM
3208
CA
SER
B
202
71.126
−21.219
−77.212
1.00
119.64
MOL1
C


ATOM
3209
CB
SER
B
202
69.705
−21.322
−77.764
1.00
117.95
MOL1
C


ATOM
3210
OG
SER
B
202
69.691
−22.078
−78.964
1.00
117.45
MOL1
O


ATOM
3211
C
SER
B
202
71.098
−20.610
−75.812
1.00
123.42
MOL1
C


ATOM
3212
O
SER
B
202
71.941
−19.774
−75.476
1.00
126.01
MOL1
O


ATOM
3213
N
GLU
B
203
70.126
−21.013
−74.997
1.00
125.06
MOL1
N


ATOM
3214
CA
GLU
B
203
70.054
−20.503
−73.633
1.00
127.20
MOL1
C


ATOM
3215
CB
GLU
B
203
68.661
−20.722
−73.028
1.00
132.57
MOL1
C


ATOM
3216
CG
GLU
B
203
67.622
−19.666
−73.421
1.00
136.08
MOL1
C


ATOM
3217
CD
GLU
B
203
66.306
−19.821
−72.662
1.00
139.23
MOL1
C


ATOM
3218
OE1
GLU
B
203
65.553
−20.785
−72.933
1.00
139.00
MOL1
O


ATOM
3219
OE2
GLU
B
203
66.028
−18.977
−71.783
1.00
141.09
MOL1
O


ATOM
3220
C
GLU
B
203
71.115
−21.241
−72.820
1.00
126.53
MOL1
C


ATOM
3221
O
GLU
B
203
71.971
−21.915
−73.389
1.00
125.59
MOL1
O


ATOM
3222
N
THR
B
204
71.074
−21.118
−71.499
1.00
127.33
MOL1
N


ATOM
3223
CA
THR
B
204
72.072
−21.792
−70.672
1.00
127.07
MOL1
C


ATOM
3224
CB
THR
B
204
72.915
−20.775
−69.852
1.00
131.21
MOL1
C


ATOM
3225
OG1
THR
B
204
72.050
−19.947
−69.060
1.00
133.18
MOL1
O


ATOM
3226
CG2
THR
B
204
73.756
−19.902
−70.787
1.00
131.27
MOL1
C


ATOM
3227
C
THR
B
204
71.500
−22.841
−69.718
1.00
124.11
MOL1
C


ATOM
3228
O
THR
B
204
70.357
−22.739
−69.254
1.00
125.30
MOL1
O


ATOM
3229
N
VAL
B
205
72.318
−23.854
−69.440
1.00
116.10
MOL1
N


ATOM
3230
CA
VAL
B
205
71.960
−24.957
−68.553
1.00
105.02
MOL1
C


ATOM
3231
CB
VAL
B
205
71.807
−26.267
−69.329
1.00
98.74
MOL1
C


ATOM
3232
CG1
VAL
B
205
70.477
−26.318
−70.020
1.00
96.87
MOL1
C


ATOM
3233
CG2
VAL
B
205
72.917
−26.371
−70.356
1.00
94.57
MOL1
C


ATOM
3234
C
VAL
B
205
73.104
−25.154
−67.582
1.00
100.78
MOL1
C


ATOM
3235
O
VAL
B
205
74.244
−25.310
−67.998
1.00
99.79
MOL1
O


ATOM
3236
N
THR
B
206
72.808
−25.153
−66.292
1.00
97.98
MOL1
N


ATOM
3237
CA
THR
B
206
73.856
−25.337
−65.302
1.00
95.66
MOL1
C


ATOM
3238
CB
THR
B
206
74.294
−23.992
−64.699
1.00
93.03
MOL1
C


ATOM
3239
OG1
THR
B
206
74.887
−23.186
−65.725
1.00
91.37
MOL1
O


ATOM
3240
CG2
THR
B
206
75.300
−24.209
−63.579
1.00
90.05
MOL1
C


ATOM
3241
C
THR
B
206
73.459
−26.281
−64.174
1.00
96.57
MOL1
C


ATOM
3242
O
THR
B
206
72.320
−26.311
−63.715
1.00
99.11
MOL1
O


ATOM
3243
N
CYS
B
207
74.432
−27.059
−63.739
1.00
94.81
MOL1
N


ATOM
3244
CA
CYS
B
207
74.249
−28.023
−62.679
1.00
94.38
MOL1
C


ATOM
3245
C
CYS
B
207
74.416
−27.283
−61.352
1.00
95.96
MOL1
C


ATOM
3246
O
CYS
B
207
75.268
−26.406
−61.237
1.00
100.43
MOL1
O


ATOM
3247
CB
CYS
B
207
75.324
−29.091
−62.840
1.00
92.91
MOL1
C


ATOM
3248
SG
CYS
B
207
75.218
−30.541
−61.758
1.00
94.39
MOL1
S


ATOM
3249
N
ASN
B
208
73.610
−27.619
−60.352
1.00
95.58
MOL1
N


ATOM
3250
CA
ASN
B
208
73.728
−26.957
−59.054
1.00
93.33
MOL1
C


ATOM
3251
CB
ASN
B
208
72.493
−26.112
−58.762
1.00
101.23
MOL1
C


ATOM
3252
CG
ASN
B
208
72.342
−24.967
−59.729
1.00
106.59
MOL1
C


ATOM
3253
OD1
ASN
B
208
73.171
−24.053
−59.763
1.00
108.28
MOL1
O


ATOM
3254
ND2
ASN
B
208
71.284
−25.010
−60.533
1.00
110.86
MOL1
N


ATOM
3255
C
ASN
B
208
73.920
−27.963
−57.946
1.00
89.80
MOL1
C


ATOM
3256
O
ASN
B
208
72.980
−28.305
−57.224
1.00
93.52
MOL1
O


ATOM
3257
N
VAL
B
209
75.152
−28.430
−57.804
1.00
82.22
MOL1
N


ATOM
3258
CA
VAL
B
209
75.461
−29.415
−56.781
1.00
75.59
MOL1
C


ATOM
3259
CB
VAL
B
209
76.679
−30.275
−57.181
1.00
69.13
MOL1
C


ATOM
3260
CG1
VAL
B
209
76.822
−31.430
−56.224
1.00
63.09
MOL1
C


ATOM
3261
CG2
VAL
B
209
76.521
−30.788
−58.604
1.00
61.88
MOL1
C


ATOM
3262
C
VAL
B
209
75.735
−28.747
−55.442
1.00
76.74
MOL1
C


ATOM
3263
O
VAL
B
209
76.397
−27.715
−55.377
1.00
77.01
MOL1
O


ATOM
3264
N
ALA
B
210
75.220
−29.340
−54.371
1.00
78.60
MOL1
N


ATOM
3265
CA
ALA
B
210
75.410
−28.787
−53.041
1.00
77.60
MOL1
C


ATOM
3266
CB
ALA
B
210
74.193
−27.986
−52.641
1.00
80.72
MOL1
C


ATOM
3267
C
ALA
B
210
75.682
−29.877
−52.020
1.00
80.42
MOL1
C


ATOM
3268
O
ALA
B
210
74.932
−30.850
−51.914
1.00
83.39
MOL1
O


ATOM
3269
N
HIS
B
211
76.757
−29.695
−51.262
1.00
83.26
MOL1
N


ATOM
3270
CA
HIS
B
211
77.180
−30.660
−50.249
1.00
89.17
MOL1
C


ATOM
3271
CB
HIS
B
211
78.591
−31.157
−50.612
1.00
80.09
MOL1
C


ATOM
3272
CG
HIS
B
211
79.044
−32.363
−49.847
1.00
74.52
MOL1
C


ATOM
3273
CD2
HIS
B
211
80.257
−32.694
−49.343
1.00
73.27
MOL1
C


ATOM
3274
ND1
HIS
B
211
78.215
−33.427
−49.565
1.00
71.41
MOL1
N


ATOM
3275
CE1
HIS
B
211
78.897
−34.357
−48.918
1.00
67.19
MOL1
C


ATOM
3276
NE2
HIS
B
211
80.139
−33.937
−48.771
1.00
62.80
MOL1
N


ATOM
3277
C
HIS
B
211
77.166
−30.039
−48.844
1.00
96.03
MOL1
C


ATOM
3278
O
HIS
B
211
78.145
−29.435
−48.408
1.00
93.90
MOL1
O


ATOM
3279
N
PRO
B
212
76.043
−30.179
−48.123
1.00
102.85
MOL1
N


ATOM
3280
CD
PRO
B
212
74.773
−30.777
−48.572
1.00
105.49
MOL1
C


ATOM
3281
CA
PRO
B
212
75.912
−29.629
−46.771
1.00
105.91
MOL1
C


ATOM
3282
CB
PRO
B
212
74.529
−30.117
−46.338
1.00
107.78
MOL1
C


ATOM
3283
CG
PRO
B
212
73.768
−30.131
−47.636
1.00
108.54
MOL1
C


ATOM
3284
C
PRO
B
212
77.021
−30.110
−45.837
1.00
106.85
MOL1
C


ATOM
3285
O
PRO
B
212
77.750
−29.304
−45.265
1.00
109.43
MOL1
O


ATOM
3286
N
ALA
B
213
77.143
−31.426
−45.691
1.00
106.07
MOL1
N


ATOM
3287
CA
ALA
B
213
78.155
−32.025
−44.822
1.00
104.23
MOL1
C


ATOM
3288
CB
ALA
B
213
78.274
−33.511
−45.109
1.00
104.88
MOL1
C


ATOM
3289
C
ALA
B
213
79.522
−31.376
−44.961
1.00
102.80
MOL1
C


ATOM
3290
O
ALA
B
213
80.322
−31.401
−44.029
1.00
105.87
MOL1
O


ATOM
3291
N
SER
B
214
79.790
−30.806
−46.129
1.00
100.89
MOL1
N


ATOM
3292
CA
SER
B
214
81.067
−30.154
−46.388
1.00
100.65
MOL1
C


ATOM
3293
CB
SER
B
214
81.787
−30.838
−47.545
1.00
97.12
MOL1
C


ATOM
3294
OG
SER
B
214
82.696
−29.959
−48.175
1.00
88.48
MOL1
O


ATOM
3295
C
SER
B
214
80.876
−28.689
−46.719
1.00
104.48
MOL1
C


ATOM
3296
O
SER
B
214
81.816
−28.009
−47.118
1.00
105.37
MOL1
O


ATOM
3297
N
SER
B
215
79.650
−28.208
−46.558
1.00
109.71
MOL1
N


ATOM
3298
CA
SER
B
215
79.318
−26.810
−46.837
1.00
113.22
MOL1
C


ATOM
3299
CB
SER
B
215
79.953
−25.881
−45.789
1.00
113.27
MOL1
C


ATOM
3300
OG
SER
B
215
81.366
−25.857
−45.892
1.00
110.37
MOL1
O


ATOM
3301
C
SER
B
215
79.751
−26.371
−48.235
1.00
112.71
MOL1
C


ATOM
3302
O
SER
B
215
79.950
−25.181
−48.487
1.00
110.22
MOL1
O


ATOM
3303
N
THR
B
216
79.895
−27.339
−49.135
1.00
113.28
MOL1
N


ATOM
3304
CA
THR
B
216
80.289
−27.067
−50.515
1.00
112.49
MOL1
C


ATOM
3305
CB
THR
B
216
80.989
−28.287
−51.163
1.00
116.13
MOL1
C


ATOM
3306
OG1
THR
B
216
81.951
−28.842
−50.256
1.00
116.88
MOL1
O


ATOM
3307
CG2
THR
B
216
81.684
−27.868
−52.452
1.00
116.06
MOL1
C


ATOM
3308
C
THR
B
216
79.026
−26.791
−51.320
1.00
109.89
MOL1
C


ATOM
3309
O
THR
B
216
77.954
−27.302
−50.988
1.00
110.41
MOL1
O


ATOM
3310
N
LYS
B
217
79.150
−25.998
−52.377
1.00
105.80
MOL1
N


ATOM
3311
CA
LYS
B
217
78.004
−25.675
−53.212
1.00
109.45
MOL1
C


ATOM
3312
CB
LYS
B
217
77.182
−24.527
−52.599
1.00
119.31
MOL1
C


ATOM
3313
CG
LYS
B
217
76.444
−24.889
−51.289
1.00
129.29
MOL1
C


ATOM
3314
CD
LYS
B
217
75.516
−23.773
−50.775
1.00
131.72
MOL1
C


ATOM
3315
CE
LYS
B
217
74.728
−24.222
−49.533
1.00
133.19
MOL1
C


ATOM
3316
NZ
LYS
B
217
73.777
−23.188
−49.007
1.00
131.75
MOL1
N


ATOM
3317
C
LYS
B
217
78.509
−25.271
−54.576
1.00
107.36
MOL1
C


ATOM
3318
O
LYS
B
217
78.557
−24.085
−54.899
1.00
110.84
MOL1
O


ATOM
3319
N
VAL
B
218
78.882
−26.265
−55.375
1.00
103.91
MOL1
N


ATOM
3320
CA
VAL
B
218
79.402
−26.015
−56.715
1.00
99.65
MOL1
C


ATOM
3321
CB
VAL
B
218
80.450
−27.042
−57.108
1.00
97.19
MOL1
C


ATOM
3322
CG1
VAL
B
218
80.853
−26.820
−58.554
1.00
94.99
MOL1
C


ATOM
3323
CG2
VAL
B
218
81.647
−26.933
−56.186
1.00
100.48
MOL1
C


ATOM
3324
C
VAL
B
218
78.379
−25.983
−57.839
1.00
98.84
MOL1
C


ATOM
3325
O
VAL
B
218
77.386
−26.710
−57.833
1.00
99.53
MOL1
O


ATOM
3326
N
ASP
B
219
78.637
−25.123
−58.812
1.00
98.56
MOL1
N


ATOM
3327
CA
ASP
B
219
77.765
−25.000
−59.961
1.00
102.84
MOL1
C


ATOM
3328
CB
ASP
B
219
77.104
−23.613
−59.998
1.00
112.70
MOL1
C


ATOM
3329
CG
ASP
B
219
78.114
−22.472
−60.101
1.00
122.00
MOL1
C


ATOM
3330
OD1
ASP
B
219
79.026
−22.396
−59.245
1.00
127.83
MOL1
O


ATOM
3331
OD2
ASP
B
219
77.989
−21.646
−61.036
1.00
124.13
MOL1
O


ATOM
3332
C
ASP
B
219
78.643
−25.211
−61.180
1.00
100.52
MOL1
C


ATOM
3333
O
ASP
B
219
79.737
−24.661
−61.264
1.00
100.80
MOL1
O


ATOM
3334
N
LYS
B
220
78.181
−26.031
−62.114
1.00
99.48
MOL1
N


ATOM
3335
CA
LYS
B
220
78.959
−26.285
−63.318
1.00
102.77
MOL1
C


ATOM
3336
CB
LYS
B
220
79.492
−27.723
−63.339
1.00
105.07
MOL1
C


ATOM
3337
CG
LYS
B
220
80.752
−27.941
−64.205
1.00
101.06
MOL1
C


ATOM
3338
CD
LYS
B
220
82.027
−27.800
−63.364
1.00
99.44
MOL1
C


ATOM
3339
CE
LYS
B
220
83.278
−28.285
−64.093
1.00
96.80
MOL1
C


ATOM
3340
NZ
LYS
B
220
84.404
−28.566
−63.141
1.00
91.69
MOL1
N


ATOM
3341
C
LYS
B
220
78.084
−26.056
−64.536
1.00
103.79
MOL1
C


ATOM
3342
O
LYS
B
220
77.029
−26.668
−64.682
1.00
105.73
MOL1
O


ATOM
3343
N
LYS
B
221
78.530
−25.161
−65.406
1.00
104.74
MOL1
N


ATOM
3344
CA
LYS
B
221
77.801
−24.838
−66.625
1.00
106.44
MOL1
C


ATOM
3345
CB
LYS
B
221
78.335
−23.527
−67.230
1.00
115.48
MOL1
C


ATOM
3346
CG
LYS
B
221
78.279
−22.304
−66.294
1.00
127.04
MOL1
C


ATOM
3347
CD
LYS
B
221
79.219
−21.154
−66.729
1.00
131.38
MOL1
C


ATOM
3348
CE
LYS
B
221
78.824
−20.516
−68.064
1.00
133.20
MOL1
C


ATOM
3349
NZ
LYS
B
221
79.750
−19.404
−68.453
1.00
128.30
MOL1
N


ATOM
3350
C
LYS
B
221
78.032
−25.963
−67.617
1.00
101.80
MOL1
C


ATOM
3351
O
LYS
B
221
79.152
−26.446
−67.745
1.00
100.90
MOL1
O


ATOM
3352
N
ILE
B
222
76.984
−26.380
−68.319
1.00
100.90
MOL1
N


ATOM
3353
CA
ILE
B
222
77.120
−27.442
−69.315
1.00
96.97
MOL1
C


ATOM
3354
CB
ILE
B
222
75.862
−28.299
−69.416
1.00
91.83
MOL1
C


ATOM
3355
CG2
ILE
B
222
76.044
−29.337
−70.493
1.00
89.24
MOL1
C


ATOM
3356
CG1
ILE
B
222
75.561
−28.943
−68.064
1.00
86.37
MOL1
C


ATOM
3357
CD1
ILE
B
222
76.703
−29.721
−67.504
1.00
85.83
MOL1
C


ATOM
3358
C
ILE
B
222
77.394
−26.851
−70.689
1.00
98.76
MOL1
C


ATOM
3359
O
ILE
B
222
76.498
−26.307
−71.341
1.00
100.71
MOL1
O


ATOM
3360
N
VAL
B
223
78.641
−26.972
−71.122
1.00
99.19
MOL1
N


ATOM
3361
CA
VAL
B
223
79.078
−26.442
−72.405
1.00
98.35
MOL1
C


ATOM
3362
CB
VAL
B
223
80.310
−25.552
−72.218
1.00
97.77
MOL1
C


ATOM
3363
CG1
VAL
B
223
81.118
−26.030
−71.006
1.00
94.96
MOL1
C


ATOM
3364
CG2
VAL
B
223
81.173
−25.603
−73.474
1.00
97.02
MOL1
C


ATOM
3365
C
VAL
B
223
79.460
−27.558
−73.352
1.00
98.65
MOL1
C


ATOM
3366
O
VAL
B
223
80.115
−28.516
−72.951
1.00
99.88
MOL1
O


ATOM
3367
N
PRO
B
224
79.073
−27.437
−74.629
1.00
98.92
MOL1
N


ATOM
3368
CD
PRO
B
224
78.286
−26.316
−75.161
1.00
94.90
MOL1
C


ATOM
3369
CA
PRO
B
224
79.354
−28.421
−75.683
1.00
104.37
MOL1
C


ATOM
3370
CB
PRO
B
224
78.488
−27.942
−76.842
1.00
96.75
MOL1
C


ATOM
3371
CG
PRO
B
224
78.489
−26.467
−76.654
1.00
95.48
MOL1
C


ATOM
3372
C
PRO
B
224
80.832
−28.541
−76.067
1.00
111.20
MOL1
C


ATOM
3373
O
PRO
B
224
81.690
−27.847
−75.519
1.00
111.75
MOL1
O


ATOM
3374
N
ARG
B
225
81.114
−29.439
−77.007
1.00
118.08
MOL1
N


ATOM
3375
CA
ARG
B
225
82.473
−29.677
−77.486
1.00
124.84
MOL1
C


ATOM
3376
CB
ARG
B
225
82.742
−31.177
−77.550
1.00
122.51
MOL1
C


ATOM
3377
CG
ARG
B
225
82.489
−31.912
−76.239
1.00
119.75
MOL1
C


ATOM
3378
CD
ARG
B
225
82.337
−33.422
−76.457
1.00
116.39
MOL1
C


ATOM
3379
NE
ARG
B
225
82.076
−34.124
−75.205
1.00
111.70
MOL1
N


ATOM
3380
CZ
ARG
B
225
83.001
−34.393
−74.287
1.00
112.50
MOL1
C


ATOM
3381
NH1
ARG
B
225
82.661
−35.029
−73.173
1.00
114.12
MOL1
N


ATOM
3382
NH2
ARG
B
225
84.267
−34.045
−74.490
1.00
109.27
MOL1
N


ATOM
3383
C
ARG
B
225
82.613
−29.069
−78.878
1.00
133.06
MOL1
C


ATOM
3384
O
ARG
B
225
81.621
−28.913
−79.594
1.00
135.73
MOL1
O


ATOM
3385
N
ASP
B
226
83.840
−28.738
−79.269
1.00
140.52
MOL1
N


ATOM
3386
CA
ASP
B
226
84.067
−28.126
−80.575
1.00
149.72
MOL1
C


ATOM
3387
CB
ASP
B
226
85.360
−27.296
−80.554
1.00
145.64
MOL1
C


ATOM
3388
CG
ASP
B
226
85.149
−25.893
−79.984
1.00
142.50
MOL1
C


ATOM
3389
OD1
ASP
B
226
86.143
−25.150
−79.854
1.00
139.30
MOL1
O


ATOM
3390
OD2
ASP
B
226
83.992
−25.527
−79.671
1.00
137.82
MOL1
O


ATOM
3391
C
ASP
B
226
84.065
−29.082
−81.776
1.00
155.68
MOL1
C


ATOM
3392
O
ASP
B
226
82.997
−29.481
−82.250
1.00
156.17
MOL1
O


ATOM
3393
N
CYS
B
227
85.248
−29.438
−82.274
1.00
162.72
MOL1
N


ATOM
3394
CA
CYS
B
227
85.352
−30.325
−83.435
1.00
168.19
MOL1
C


ATOM
3395
CB
CYS
B
227
86.735
−30.162
−84.109
1.00
171.79
MOL1
C


ATOM
3396
SG
CYS
B
227
88.179
−31.014
−83.367
1.00
175.58
MOL1
S


ATOM
3397
C
CYS
B
227
85.079
−31.797
−83.104
1.00
169.02
MOL1
C


ATOM
3398
O
CYS
B
227
84.756
−32.089
−81.930
1.00
168.83
MOL1
O


ATOM
3399
OXT
CYS
B
227
85.171
−32.640
−84.026
1.00
169.12
MOL1
O


ATOM
3400
CB
GLU
F
15
22.974
−19.456
−42.886
1.00
149.87
MOL1
C


ATOM
3401
CG
GLU
F
15
22.375
−19.287
−41.505
1.00
144.07
MOL1
C


ATOM
3402
CD
GLU
F
15
21.496
−20.457
−41.117
1.00
141.32
MOL1
C


ATOM
3403
OE1
GLU
F
15
22.037
−21.457
−40.599
1.00
139.31
MOL1
O


ATOM
3404
OE2
GLU
F
15
20.271
−20.383
−41.342
1.00
136.53
MOL1
O


ATOM
3405
C
GLU
F
15
21.960
−17.725
−44.377
1.00
155.87
MOL1
C


ATOM
3406
O
GLU
F
15
22.161
−17.366
−45.539
1.00
156.62
MOL1
O


ATOM
3407
N
GLU
F
15
22.347
−20.014
−45.220
1.00
152.69
MOL1
N


ATOM
3408
CA
GLU
F
15
21.974
−19.212
−44.018
1.00
153.60
MOL1
C


ATOM
3409
N
SER
F
16
21.731
−16.866
−43.384
1.00
157.81
MOL1
N


ATOM
3410
CA
SER
F
16
21.685
−15.421
−43.619
1.00
158.62
MOL1
C


ATOM
3411
CB
SER
F
16
20.704
−15.094
−44.752
1.00
156.06
MOL1
C


ATOM
3412
OG
SER
F
16
19.358
−15.219
−44.325
1.00
151.69
MOL1
O


ATOM
3413
C
SER
F
16
21.286
−14.614
−42.382
1.00
161.17
MOL1
C


ATOM
3414
O
SER
F
16
21.486
−13.404
−42.334
1.00
162.33
MOL1
O


ATOM
3415
N
CYS
F
17
20.720
−15.285
−41.386
1.00
163.62
MOL1
N


ATOM
3416
CA
CYS
F
17
20.282
−14.628
−40.154
1.00
164.31
MOL1
C


ATOM
3417
C
CYS
F
17
21.380
−13.767
−39.528
1.00
165.32
MOL1
C


ATOM
3418
O
CYS
F
17
22.566
−13.976
−39.785
1.00
164.46
MOL1
O


ATOM
3419
CB
CYS
F
17
19.846
−15.681
−39.140
1.00
162.75
MOL1
C


ATOM
3420
SG
CYS
F
17
19.205
−17.206
−39.897
1.00
160.53
MOL1
S


ATOM
3421
N
PRO
F
18
20.987
−12.782
−38.698
1.00
166.83
MOL1
N


ATOM
3422
CD
PRO
F
18
19.585
−12.387
−38.472
1.00
165.88
MOL1
C


ATOM
3423
CA
PRO
F
18
21.903
−11.865
−38.006
1.00
167.58
MOL1
C


ATOM
3424
CB
PRO
F
18
20.957
−10.992
−37.185
1.00
166.11
MOL1
C


ATOM
3425
CG
PRO
F
18
19.725
−10.947
−38.036
1.00
166.04
MOL1
C


ATOM
3426
C
PRO
F
18
22.880
−12.636
−37.122
1.00
169.16
MOL1
C


ATOM
3427
O
PRO
F
18
22.543
−13.037
−36.008
1.00
167.54
MOL1
O


ATOM
3428
N
PRO
F
19
24.111
−12.837
−37.611
1.00
172.45
MOL1
N


ATOM
3429
CD
PRO
F
19
24.580
−12.245
−38.878
1.00
172.44
MOL1
C


ATOM
3430
CA
PRO
F
19
25.202
−13.555
−36.940
1.00
175.08
MOL1
C


ATOM
3431
CB
PRO
F
19
26.425
−13.162
−37.769
1.00
174.52
MOL1
C


ATOM
3432
CG
PRO
F
19
25.850
−13.024
−39.149
1.00
173.92
MOL1
C


ATOM
3433
C
PRO
F
19
25.402
−13.286
−35.441
1.00
176.12
MOL1
C


ATOM
3434
O
PRO
F
19
24.737
−12.436
−34.841
1.00
174.47
MOL1
O


ATOM
3435
N
VAL
F
20
26.322
−14.041
−34.848
1.00
177.57
MOL1
N


ATOM
3436
CA
VAL
F
20
26.659
−13.908
−33.437
1.00
178.58
MOL1
C


ATOM
3437
CB
VAL
F
20
26.466
−15.253
−32.686
1.00
178.29
MOL1
C


ATOM
3438
CG1
VAL
F
20
24.982
−15.571
−32.574
1.00
176.76
MOL1
C


ATOM
3439
CG2
VAL
F
20
27.191
−16.378
−33.420
1.00
176.99
MOL1
C


ATOM
3440
C
VAL
F
20
28.119
−13.451
−33.346
1.00
180.71
MOL1
C


ATOM
3441
O
VAL
F
20
28.845
−13.480
−34.346
1.00
181.31
MOL1
O


ATOM
3442
N
PRO
F
21
28.566
−13.008
−32.155
1.00
182.04
MOL1
N


ATOM
3443
CD
PRO
F
21
27.795
−12.900
−30.899
1.00
182.08
MOL1
C


ATOM
3444
CA
PRO
F
21
29.946
−12.545
−31.957
1.00
181.92
MOL1
C


ATOM
3445
CB
PRO
F
21
30.098
−12.597
−30.440
1.00
181.19
MOL1
C


ATOM
3446
CG
PRO
F
21
28.743
−12.119
−29.987
1.00
180.80
MOL1
C


ATOM
3447
C
PRO
F
21
31.028
−13.345
−32.703
1.00
181.93
MOL1
C


ATOM
3448
O
PRO
F
21
31.999
−12.769
−33.202
1.00
180.80
MOL1
O


ATOM
3449
N
GLY
F
22
30.860
−14.663
−32.780
1.00
182.34
MOL1
N


ATOM
3450
CA
GLY
F
22
31.831
−15.486
−33.484
1.00
181.41
MOL1
C


ATOM
3451
C
GLY
F
22
32.213
−16.792
−32.806
1.00
180.52
MOL1
C


ATOM
3452
O
GLY
F
22
32.647
−16.800
−31.651
1.00
181.38
MOL1
O


ATOM
3453
N
GLY
F
23
32.055
−17.900
−33.530
1.00
178.22
MOL1
N


ATOM
3454
CA
GLY
F
23
32.400
−19.208
−32.995
1.00
174.34
MOL1
C


ATOM
3455
C
GLY
F
23
31.603
−19.638
−31.775
1.00
171.67
MOL1
C


ATOM
3456
O
GLY
F
23
32.174
−19.920
−30.718
1.00
170.67
MOL1
O


ATOM
3457
N
SER
F
24
30.281
−19.692
−31.920
1.00
168.80
MOL1
N


ATOM
3458
CA
SER
F
24
29.402
−20.095
−30.825
1.00
164.63
MOL1
C


ATOM
3459
CB
SER
F
24
29.323
−18.982
−29.772
1.00
165.56
MOL1
C


ATOM
3460
OG
SER
F
24
28.530
−19.374
−28.662
1.00
164.93
MOL1
O


ATOM
3461
C
SER
F
24
28.001
−20.419
−31.345
1.00
160.92
MOL1
C


ATOM
3462
O
SER
F
24
27.533
−19.812
−32.314
1.00
160.03
MOL1
O


ATOM
3463
N
MET
F
25
27.340
−21.378
−30.696
1.00
155.68
MOL1
N


ATOM
3464
CA
MET
F
25
25.992
−21.790
−31.083
1.00
148.46
MOL1
C


ATOM
3465
CB
MET
F
25
26.061
−23.054
−31.949
1.00
148.69
MOL1
C


ATOM
3466
CG
MET
F
25
24.964
−23.169
−33.015
1.00
149.35
MOL1
C


ATOM
3467
SD
MET
F
25
25.375
−22.436
−34.633
1.00
149.53
MOL1
S


ATOM
3468
CE
MET
F
25
25.741
−23.915
−35.642
1.00
145.96
MOL1
C


ATOM
3469
C
MET
F
25
25.141
−22.048
−29.829
1.00
143.51
MOL1
C


ATOM
3470
O
MET
F
25
25.672
−22.140
−28.717
1.00
140.73
MOL1
O


ATOM
3471
N
LYS
F
26
23.826
−22.158
−30.013
1.00
138.19
MOL1
N


ATOM
3472
CA
LYS
F
26
22.907
−22.392
−28.897
1.00
134.01
MOL1
C


ATOM
3473
CB
LYS
F
26
21.479
−21.964
−29.270
1.00
133.72
MOL1
C


ATOM
3474
CG
LYS
F
26
21.216
−20.465
−29.159
1.00
133.94
MOL1
C


ATOM
3475
CD
LYS
F
26
19.764
−20.106
−29.491
1.00
134.50
MOL1
C


ATOM
3476
CE
LYS
F
26
18.769
−20.636
−28.457
1.00
134.34
MOL1
C


ATOM
3477
NZ
LYS
F
26
18.842
−19.931
−27.142
1.00
135.55
MOL1
N


ATOM
3478
C
LYS
F
26
22.879
−23.833
−28.398
1.00
129.94
MOL1
C


ATOM
3479
O
LYS
F
26
22.459
−24.746
−29.111
1.00
130.92
MOL1
O


ATOM
3480
N
LEU
F
27
23.316
−24.026
−27.158
1.00
123.18
MOL1
N


ATOM
3481
CA
LEU
F
27
23.334
−25.345
−26.546
1.00
117.71
MOL1
C


ATOM
3482
CB
LEU
F
27
24.752
−25.718
−26.127
1.00
108.77
MOL1
C


ATOM
3483
CG
LEU
F
27
24.900
−27.123
−25.551
1.00
102.45
MOL1
C


ATOM
3484
CD1
LEU
F
27
24.569
−28.130
−26.638
1.00
99.22
MOL1
C


ATOM
3485
CD2
LEU
F
27
26.310
−27.335
−25.032
1.00
95.52
MOL1
C


ATOM
3486
C
LEU
F
27
22.444
−25.344
−25.318
1.00
118.97
MOL1
C


ATOM
3487
O
LEU
F
27
22.865
−24.923
−24.246
1.00
119.24
MOL1
O


ATOM
3488
N
ASP
F
28
21.215
−25.821
−25.471
1.00
122.32
MOL1
N


ATOM
3489
CA
ASP
F
28
20.278
−25.862
−24.358
1.00
125.99
MOL1
C


ATOM
3490
CB
ASP
F
28
18.937
−26.448
−24.807
1.00
129.38
MOL1
C


ATOM
3491
CG
ASP
F
28
18.465
−25.880
−26.135
1.00
135.42
MOL1
C


ATOM
3492
OD1
ASP
F
28
18.844
−24.734
−26.458
1.00
137.40
MOL1
O


ATOM
3493
OD2
ASP
F
28
17.707
−26.573
−26.852
1.00
136.01
MOL1
O


ATOM
3494
C
ASP
F
28
20.820
−26.689
−23.201
1.00
128.20
MOL1
C


ATOM
3495
O
ASP
F
28
21.489
−27.702
−23.401
1.00
127.44
MOL1
O


ATOM
3496
N
ILE
F
29
20.532
−26.238
−21.985
1.00
132.62
MOL1
N


ATOM
3497
CA
ILE
F
29
20.962
−26.933
−20.776
1.00
133.08
MOL1
C


ATOM
3498
CB
ILE
F
29
20.752
−26.077
−19.507
1.00
132.47
MOL1
C


ATOM
3499
CG2
ILE
F
29
21.747
−24.935
−19.472
1.00
134.02
MOL1
C


ATOM
3500
CG1
ILE
F
29
19.305
−25.575
−19.461
1.00
131.56
MOL1
C


ATOM
3501
CD1
ILE
F
29
19.011
−24.625
−18.323
1.00
131.84
MOL1
C


ATOM
3502
C
ILE
F
29
20.094
−28.163
−20.625
1.00
132.87
MOL1
C


ATOM
3503
O
ILE
F
29
19.048
−28.282
−21.271
1.00
132.86
MOL1
O


ATOM
3504
N
GLY
F
30
20.520
−29.071
−19.757
1.00
131.60
MOL1
N


ATOM
3505
CA
GLY
F
30
19.751
−30.278
−19.537
1.00
129.89
MOL1
C


ATOM
3506
C
GLY
F
30
20.037
−31.345
−20.571
1.00
126.50
MOL1
C


ATOM
3507
O
GLY
F
30
19.802
−31.158
−21.767
1.00
128.12
MOL1
O


ATOM
3508
N
ILE
F
31
20.543
−32.475
−20.098
1.00
121.94
MOL1
N


ATOM
3509
CA
ILE
F
31
20.871
−33.590
−20.964
1.00
117.12
MOL1
C


ATOM
3510
CB
ILE
F
31
22.120
−34.327
−20.471
1.00
115.73
MOL1
C


ATOM
3511
CG2
ILE
F
31
22.518
−35.373
−21.478
1.00
114.88
MOL1
C


ATOM
3512
CG1
ILE
F
31
23.265
−33.339
−20.237
1.00
116.43
MOL1
C


ATOM
3513
CD1
ILE
F
31
23.121
−32.490
−18.975
1.00
120.44
MOL1
C


ATOM
3514
C
ILE
F
31
19.720
−34.582
−20.981
1.00
116.73
MOL1
C


ATOM
3515
O
ILE
F
31
19.209
−34.967
−19.931
1.00
116.15
MOL1
O


ATOM
3516
N
ILE
F
32
19.317
−34.994
−22.176
1.00
118.68
MOL1
N


ATOM
3517
CA
ILE
F
32
18.226
−35.949
−22.329
1.00
123.20
MOL1
C


ATOM
3518
CB
ILE
F
32
17.780
−36.044
−23.805
1.00
123.36
MOL1
C


ATOM
3519
CG2
ILE
F
32
16.553
−36.940
−23.922
1.00
122.71
MOL1
C


ATOM
3520
CG1
ILE
F
32
17.480
−34.644
−24.349
1.00
122.75
MOL1
C


ATOM
3521
CD1
ILE
F
32
16.994
−34.637
−25.786
1.00
123.21
MOL1
C


ATOM
3522
C
ILE
F
32
18.640
−37.346
−21.856
1.00
127.61
MOL1
C


ATOM
3523
O
ILE
F
32
19.633
−37.899
−22.333
1.00
129.87
MOL1
O


ATOM
3524
N
ASN
F
33
17.875
−37.904
−20.917
1.00
132.09
MOL1
N


ATOM
3525
CA
ASN
F
33
18.128
−39.239
−20.362
1.00
136.09
MOL1
C


ATOM
3526
CB
ASN
F
33
18.367
−40.248
−21.490
1.00
137.26
MOL1
C


ATOM
3527
CG
ASN
F
33
17.174
−40.378
−22.422
1.00
141.15
MOL1
C


ATOM
3528
OD1
ASN
F
33
16.113
−40.861
−22.025
1.00
144.19
MOL1
O


ATOM
3529
ND2
ASN
F
33
17.340
−39.940
−23.667
1.00
141.99
MOL1
N


ATOM
3530
C
ASN
F
33
19.297
−39.289
−19.379
1.00
139.95
MOL1
C


ATOM
3531
O
ASN
F
33
19.952
−40.319
−19.241
1.00
140.54
MOL1
O


ATOM
3532
N
GLU
F
34
19.550
−38.177
−18.694
1.00
145.31
MOL1
N


ATOM
3533
CA
GLU
F
34
20.638
−38.089
−17.720
1.00
150.17
MOL1
C


ATOM
3534
CB
GLU
F
34
20.604
−36.710
−17.049
1.00
152.50
MOL1
C


ATOM
3535
CG
GLU
F
34
21.625
−36.504
−15.937
1.00
155.37
MOL1
C


ATOM
3536
CD
GLU
F
34
21.432
−35.184
−15.207
1.00
155.48
MOL1
C


ATOM
3537
OE1
GLU
F
34
21.490
−34.124
−15.868
1.00
155.20
MOL1
O


ATOM
3538
OE2
GLU
F
34
21.224
−35.208
−13.972
1.00
153.96
MOL1
O


ATOM
3539
C
GLU
F
34
20.514
−39.185
−16.659
1.00
153.84
MOL1
C


ATOM
3540
O
GLU
F
34
21.434
−39.414
−15.871
1.00
152.98
MOL1
O


ATOM
3541
N
ASN
F
35
19.368
−39.863
−16.660
1.00
159.41
MOL1
N


ATOM
3542
CA
ASN
F
35
19.062
−40.925
−15.702
1.00
165.02
MOL1
C


ATOM
3543
CB
ASN
F
35
17.544
−41.041
−15.518
1.00
167.52
MOL1
C


ATOM
3544
CG
ASN
F
35
16.895
−39.730
−15.128
1.00
169.43
MOL1
C


ATOM
3545
OD1
ASN
F
35
17.154
−39.189
−14.052
1.00
171.02
MOL1
O


ATOM
3546
ND2
ASN
F
35
16.041
−39.213
−16.006
1.00
168.39
MOL1
N


ATOM
3547
C
ASN
F
35
19.592
−42.311
−16.072
1.00
167.21
MOL1
C


ATOM
3548
O
ASN
F
35
19.730
−43.169
−15.200
1.00
168.76
MOL1
O


ATOM
3549
N
GLN
F
36
19.853
−42.546
−17.357
1.00
169.24
MOL1
N


ATOM
3550
CA
GLN
F
36
20.358
−43.848
−17.798
1.00
170.44
MOL1
C


ATOM
3551
CB
GLN
F
36
20.719
−43.814
−19.287
1.00
170.00
MOL1
C


ATOM
3552
CG
GLN
F
36
19.540
−44.006
−20.228
1.00
166.49
MOL1
C


ATOM
3553
CD
GLN
F
36
18.973
−45.412
−20.175
1.00
164.75
MOL1
C


ATOM
3554
OE1
GLN
F
36
18.015
−45.732
−20.878
1.00
163.00
MOL1
O


ATOM
3555
NE2
GLN
F
36
19.565
−46.261
−19.340
1.00
165.04
MOL1
N


ATOM
3556
C
GLN
F
36
21.582
−44.240
−16.984
1.00
173.14
MOL1
C


ATOM
3557
O
GLN
F
36
22.631
−43.591
−17.069
1.00
171.50
MOL1
O


ATOM
3558
N
ARG
F
37
21.443
−45.308
−16.200
1.00
176.82
MOL1
N


ATOM
3559
CA
ARG
F
37
22.527
−45.780
−15.342
1.00
179.91
MOL1
C


ATOM
3560
CB
ARG
F
37
21.968
−46.662
−14.213
1.00
179.87
MOL1
C


ATOM
3561
CG
ARG
F
37
20.898
−45.987
−13.352
1.00
177.94
MOL1
C


ATOM
3562
CD
ARG
F
37
20.879
−46.550
−11.938
1.00
175.90
MOL1
C


ATOM
3563
NE
ARG
F
37
22.089
−46.191
−11.204
1.00
175.74
MOL1
N


ATOM
3564
CZ
ARG
F
37
22.415
−44.947
−10.859
1.00
175.03
MOL1
C


ATOM
3565
NH1
ARG
F
37
21.618
−43.936
−11.177
1.00
173.00
MOL1
N


ATOM
3566
NH2
ARG
F
37
23.541
−44.714
−10.199
1.00
174.73
MOL1
N


ATOM
3567
C
ARG
F
37
23.633
−46.533
−16.079
1.00
180.73
MOL1
C


ATOM
3568
O
ARG
F
37
23.379
−47.259
−17.047
1.00
178.26
MOL1
O


ATOM
3569
N
VAL
F
38
24.861
−46.337
−15.597
1.00
182.74
MOL1
N


ATOM
3570
CA
VAL
F
38
26.063
−46.966
−16.144
1.00
183.52
MOL1
C


ATOM
3571
CB
VAL
F
38
27.300
−46.666
−15.240
1.00
183.75
MOL1
C


ATOM
3572
CG1
VAL
F
38
28.542
−47.351
−15.794
1.00
184.08
MOL1
C


ATOM
3573
CG2
VAL
F
38
27.521
−45.161
−15.132
1.00
181.36
MOL1
C


ATOM
3574
C
VAL
F
38
25.878
−48.481
−16.224
1.00
183.05
MOL1
C


ATOM
3575
O
VAL
F
38
26.288
−49.208
−15.313
1.00
182.81
MOL1
O


ATOM
3576
N
SER
F
39
25.265
−48.955
−17.307
1.00
180.94
MOL1
N


ATOM
3577
CA
SER
F
39
25.036
−50.387
−17.470
1.00
178.69
MOL1
C


ATOM
3578
CB
SER
F
39
24.145
−50.659
−18.685
1.00
178.07
MOL1
C


ATOM
3579
OG
SER
F
39
23.836
−52.041
−18.782
1.00
174.85
MOL1
O


ATOM
3580
C
SER
F
39
26.357
−51.134
−17.619
1.00
177.48
MOL1
C


ATOM
3581
O
SER
F
39
26.859
−51.330
−18.728
1.00
176.69
MOL1
O


ATOM
3582
N
MET
F
40
26.912
−51.548
−16.483
1.00
175.26
MOL1
N


ATOM
3583
CA
MET
F
40
28.174
−52.271
−16.457
1.00
170.51
MOL1
C


ATOM
3584
CB
MET
F
40
29.294
−51.325
−16.004
1.00
173.33
MOL1
C


ATOM
3585
CG
MET
F
40
30.706
−51.782
−16.345
1.00
175.64
MOL1
C


ATOM
3586
SD
MET
F
40
31.936
−50.475
−16.064
1.00
176.59
MOL1
S


ATOM
3587
CE
MET
F
40
31.861
−49.599
−17.635
1.00
173.87
MOL1
C


ATOM
3588
C
MET
F
40
28.053
−53.455
−15.499
1.00
165.12
MOL1
C


ATOM
3589
O
MET
F
40
28.501
−53.381
−14.354
1.00
163.85
MOL1
O


ATOM
3590
N
SER
F
41
27.421
−54.532
−15.967
1.00
158.82
MOL1
N


ATOM
3591
CA
SER
F
41
27.256
−55.735
−15.153
1.00
152.76
MOL1
C


ATOM
3592
CB
SER
F
41
26.658
−56.879
−15.983
1.00
150.88
MOL1
C


ATOM
3593
OG
SER
F
41
25.380
−56.542
−16.494
1.00
146.30
MOL1
O


ATOM
3594
C
SER
F
41
28.652
−56.114
−14.680
1.00
149.80
MOL1
C


ATOM
3595
O
SER
F
41
29.417
−56.745
−15.407
1.00
149.13
MOL1
O


ATOM
3596
N
ARG
F
42
28.977
−55.714
−13.458
1.00
145.39
MOL1
N


ATOM
3597
CA
ARG
F
42
30.292
−55.964
−12.890
1.00
139.25
MOL1
C


ATOM
3598
CB
ARG
F
42
30.286
−55.570
−11.410
1.00
141.33
MOL1
C


ATOM
3599
CG
ARG
F
42
29.468
−54.316
−11.126
1.00
144.63
MOL1
C


ATOM
3600
CD
ARG
F
42
29.711
−53.788
−9.723
1.00
150.26
MOL1
C


ATOM
3601
NE
ARG
F
42
30.999
−53.107
−9.610
1.00
155.68
MOL1
N


ATOM
3602
CZ
ARG
F
42
31.301
−51.968
−10.229
1.00
156.48
MOL1
C


ATOM
3603
NH1
ARG
F
42
30.404
−51.376
−11.009
1.00
157.71
MOL1
N


ATOM
3604
NH2
ARG
F
42
32.498
−51.419
−10.068
1.00
154.00
MOL1
N


ATOM
3605
C
ARG
F
42
30.813
−57.392
−13.050
1.00
133.09
MOL1
C


ATOM
3606
O
ARG
F
42
30.045
−58.356
−13.162
1.00
131.03
MOL1
O


ATOM
3607
N
ASN
F
43
32.139
−57.496
−13.089
1.00
126.61
MOL1
N


ATOM
3608
CA
ASN
F
43
32.849
−58.769
−13.192
1.00
119.43
MOL1
C


ATOM
3609
CB
ASN
F
43
32.486
−59.648
−11.990
1.00
126.89
MOL1
C


ATOM
3610
CG
ASN
F
43
32.751
−58.959
−10.661
1.00
132.70
MOL1
C


ATOM
3611
OD1
ASN
F
43
32.121
−57.947
−10.334
1.00
134.91
MOL1
O


ATOM
3612
ND2
ASN
F
43
33.690
−59.503
−9.887
1.00
135.04
MOL1
N


ATOM
3613
C
ASN
F
43
32.713
−59.604
−14.468
1.00
109.71
MOL1
C


ATOM
3614
O
ASN
F
43
33.448
−60.582
−14.636
1.00
105.52
MOL1
O


ATOM
3615
N
ILE
F
44
31.794
−59.256
−15.365
1.00
98.14
MOL1
N


ATOM
3616
CA
ILE
F
44
31.674
−60.060
−16.577
1.00
85.42
MOL1
C


ATOM
3617
CB
ILE
F
44
30.413
−59.714
−17.403
1.00
80.25
MOL1
C


ATOM
3618
CG2
ILE
F
44
29.295
−59.277
−16.470
1.00
87.58
MOL1
C


ATOM
3619
CG1
ILE
F
44
30.710
−58.630
−18.427
1.00
69.53
MOL1
C


ATOM
3620
CD1
ILE
F
44
29.600
−58.492
−19.430
1.00
52.02
MOL1
C


ATOM
3621
C
ILE
F
44
32.921
−59.860
−17.416
1.00
79.76
MOL1
C


ATOM
3622
O
ILE
F
44
33.205
−60.630
−18.328
1.00
74.80
MOL1
O


ATOM
3623
N
GLU
F
45
33.672
−58.817
−17.089
1.00
76.85
MOL1
N


ATOM
3624
CA
GLU
F
45
34.911
−58.545
−17.784
1.00
75.75
MOL1
C


ATOM
3625
CB
GLU
F
45
35.521
−57.218
−17.323
1.00
77.64
MOL1
C


ATOM
3626
CG
GLU
F
45
35.481
−56.970
−15.822
1.00
79.53
MOL1
C


ATOM
3627
CD
GLU
F
45
34.225
−56.216
−15.392
1.00
86.18
MOL1
C


ATOM
3628
OE1
GLU
F
45
34.088
−55.899
−14.186
1.00
83.20
MOL1
O


ATOM
3629
OE2
GLU
F
45
33.373
−55.935
−16.268
1.00
88.06
MOL1
O


ATOM
3630
C
GLU
F
45
35.866
−59.674
−17.454
1.00
76.46
MOL1
C


ATOM
3631
O
GLU
F
45
36.896
−59.834
−18.098
1.00
78.53
MOL1
O


ATOM
3632
N
SER
F
46
35.515
−60.467
−16.448
1.00
78.34
MOL1
N


ATOM
3633
CA
SER
F
46
36.370
−61.572
−16.038
1.00
78.87
MOL1
C


ATOM
3634
CB
SER
F
46
36.734
−61.432
−14.561
1.00
85.43
MOL1
C


ATOM
3635
OG
SER
F
46
37.743
−62.365
−14.209
1.00
97.78
MOL1
O


ATOM
3636
C
SER
F
46
35.733
−62.932
−16.272
1.00
73.11
MOL1
C


ATOM
3637
O
SER
F
46
36.406
−63.957
−16.206
1.00
72.67
MOL1
O


ATOM
3638
N
ARG
F
47
34.433
−62.931
−16.537
1.00
69.60
MOL1
N


ATOM
3639
CA
ARG
F
47
33.690
−64.162
−16.795
1.00
66.40
MOL1
C


ATOM
3640
CB
ARG
F
47
32.225
−64.007
−16.371
1.00
71.81
MOL1
C


ATOM
3641
CG
ARG
F
47
31.872
−64.348
−14.933
1.00
71.12
MOL1
C


ATOM
3642
CD
ARG
F
47
30.491
−63.785
−14.607
1.00
70.56
MOL1
C


ATOM
3643
NE
ARG
F
47
29.442
−64.226
−15.532
1.00
66.40
MOL1
N


ATOM
3644
CZ
ARG
F
47
28.313
−63.551
−15.754
1.00
71.40
MOL1
C


ATOM
3645
NH1
ARG
F
47
28.080
−62.397
−15.128
1.00
69.35
MOL1
N


ATOM
3646
NH2
ARG
F
47
27.406
−64.028
−16.594
1.00
71.10
MOL1
N


ATOM
3647
C
ARG
F
47
33.703
−64.511
−18.278
1.00
62.46
MOL1
C


ATOM
3648
O
ARG
F
47
33.271
−65.587
−18.662
1.00
59.75
MOL1
O


ATOM
3649
N
SER
F
48
34.174
−63.594
−19.114
1.00
62.70
MOL1
N


ATOM
3650
CA
SER
F
48
34.206
−63.839
−20.555
1.00
60.28
MOL1
C


ATOM
3651
CB
SER
F
48
34.254
−62.517
−21.324
1.00
63.61
MOL1
C


ATOM
3652
OG
SER
F
48
34.348
−62.744
−22.724
1.00
61.71
MOL1
O


ATOM
3653
C
SER
F
48
35.374
−64.705
−20.997
1.00
57.89
MOL1
C


ATOM
3654
O
SER
F
48
36.443
−64.684
−20.393
1.00
60.33
MOL1
O


ATOM
3655
N
THR
F
49
35.161
−65.466
−22.063
1.00
54.42
MOL1
N


ATOM
3656
CA
THR
F
49
36.199
−66.328
−22.602
1.00
54.49
MOL1
C


ATOM
3657
CB
THR
F
49
35.648
−67.251
−23.713
1.00
54.48
MOL1
C


ATOM
3658
OG1
THR
F
49
35.141
−66.472
−24.805
1.00
56.11
MOL1
O


ATOM
3659
CG2
THR
F
49
34.542
−68.106
−23.165
1.00
56.64
MOL1
C


ATOM
3660
C
THR
F
49
37.314
−65.462
−23.177
1.00
56.33
MOL1
C


ATOM
3661
O
THR
F
49
38.375
−65.957
−23.549
1.00
61.42
MOL1
O


ATOM
3662
N
SER
F
50
37.055
−64.162
−23.246
1.00
54.40
MOL1
N


ATOM
3663
CA
SER
F
50
38.005
−63.187
−23.757
1.00
47.36
MOL1
C


ATOM
3664
CB
SER
F
50
37.578
−62.740
−25.154
1.00
46.06
MOL1
C


ATOM
3665
OG
SER
F
50
36.163
−62.674
−25.266
1.00
42.87
MOL1
O


ATOM
3666
C
SER
F
50
37.962
−62.028
−22.777
1.00
48.51
MOL1
C


ATOM
3667
O
SER
F
50
37.405
−60.978
−23.056
1.00
49.58
MOL1
O


ATOM
3668
N
PRO
F
51
38.544
−62.229
−21.594
1.00
50.16
MOL1
N


ATOM
3669
CD
PRO
F
51
39.284
−63.474
−21.372
1.00
45.51
MOL1
C


ATOM
3670
CA
PRO
F
51
38.675
−61.335
−20.435
1.00
50.86
MOL1
C


ATOM
3671
CB
PRO
F
51
39.525
−62.151
−19.476
1.00
50.48
MOL1
C


ATOM
3672
CG
PRO
F
51
39.255
−63.563
−19.899
1.00
53.81
MOL1
C


ATOM
3673
C
PRO
F
51
39.339
−60.004
−20.780
1.00
51.50
MOL1
C


ATOM
3674
O
PRO
F
51
40.097
−59.920
−21.738
1.00
54.86
MOL1
O


ATOM
3675
N
TRP
F
52
39.087
−58.978
−19.978
1.00
47.99
MOL1
N


ATOM
3676
CA
TRP
F
52
39.646
−57.673
−20.254
1.00
46.10
MOL1
C


ATOM
3677
CB
TRP
F
52
38.815
−57.031
−21.366
1.00
46.29
MOL1
C


ATOM
3678
CG
TRP
F
52
37.361
−56.685
−21.016
1.00
45.96
MOL1
C


ATOM
3679
CD2
TRP
F
52
36.166
−57.345
−21.485
1.00
42.76
MOL1
C


ATOM
3680
CE2
TRP
F
52
35.061
−56.624
−20.980
1.00
39.10
MOL1
C


ATOM
3681
CE3
TRP
F
52
35.924
−58.471
−22.281
1.00
46.96
MOL1
C


ATOM
3682
CD1
TRP
F
52
36.930
−55.626
−20.264
1.00
42.72
MOL1
C


ATOM
3683
NE1
TRP
F
52
35.555
−55.580
−20.245
1.00
37.06
MOL1
N


ATOM
3684
CZ2
TRP
F
52
33.731
−56.996
−21.243
1.00
40.09
MOL1
C


ATOM
3685
CZ3
TRP
F
52
34.581
−58.840
−22.545
1.00
44.34
MOL1
C


ATOM
3686
CH2
TRP
F
52
33.514
−58.103
−22.024
1.00
34.21
MOL1
C


ATOM
3687
C
TRP
F
52
39.664
−56.789
−19.018
1.00
51.45
MOL1
C


ATOM
3688
O
TRP
F
52
38.757
−56.873
−18.198
1.00
59.40
MOL1
O


ATOM
3689
N
ASN
F
53
40.686
−55.949
−18.865
1.00
55.05
MOL1
N


ATOM
3690
CA
ASN
F
53
40.752
−55.066
−17.694
1.00
56.31
MOL1
C


ATOM
3691
CB
ASN
F
53
42.187
−54.834
−17.234
1.00
68.05
MOL1
C


ATOM
3692
CG
ASN
F
53
42.996
−56.104
−17.177
1.00
79.60
MOL1
C


ATOM
3693
OD1
ASN
F
53
44.233
−56.063
−17.167
1.00
89.95
MOL1
O


ATOM
3694
ND2
ASN
F
53
42.314
−57.242
−17.134
1.00
83.06
MOL1
N


ATOM
3695
C
ASN
F
53
40.164
−53.729
−18.077
1.00
55.76
MOL1
C


ATOM
3696
O
ASN
F
53
39.946
−53.450
−19.257
1.00
56.63
MOL1
O


ATOM
3697
N
TYR
F
54
39.903
−52.907
−17.072
1.00
55.17
MOL1
N


ATOM
3698
CA
TYR
F
54
39.351
−51.581
−17.291
1.00
59.25
MOL1
C


ATOM
3699
CB
TYR
F
54
38.046
−51.413
−16.515
1.00
61.17
MOL1
C


ATOM
3700
CG
TYR
F
54
36.839
−52.002
−17.210
1.00
65.10
MOL1
C


ATOM
3701
CD1
TYR
F
54
35.766
−52.515
−16.483
1.00
67.34
MOL1
C


ATOM
3702
CE1
TYR
F
54
34.649
−53.049
−17.125
1.00
68.18
MOL1
C


ATOM
3703
CD2
TYR
F
54
36.764
−52.035
−18.590
1.00
68.03
MOL1
C


ATOM
3704
CE2
TYR
F
54
35.654
−52.564
−19.239
1.00
72.89
MOL1
C


ATOM
3705
CZ
TYR
F
54
34.601
−53.071
−18.507
1.00
68.10
MOL1
C


ATOM
3706
OH
TYR
F
54
33.513
−53.596
−19.173
1.00
62.91
MOL1
O


ATOM
3707
C
TYR
F
54
40.386
−50.582
−16.812
1.00
64.47
MOL1
C


ATOM
3708
O
TYR
F
54
41.284
−50.928
−16.046
1.00
72.28
MOL1
O


ATOM
3709
N
THR
F
55
40.268
−49.346
−17.269
1.00
67.47
MOL1
N


ATOM
3710
CA
THR
F
55
41.212
−48.304
−16.897
1.00
70.95
MOL1
C


ATOM
3711
CB
THR
F
55
42.319
−48.181
−17.946
1.00
76.93
MOL1
C


ATOM
3712
OG1
THR
F
55
42.509
−49.447
−18.591
1.00
81.50
MOL1
O


ATOM
3713
CG2
THR
F
55
43.618
−47.754
−17.291
1.00
85.52
MOL1
C


ATOM
3714
C
THR
F
55
40.409
−47.033
−16.931
1.00
69.92
MOL1
C


ATOM
3715
O
THR
F
55
39.929
−46.649
−17.996
1.00
73.31
MOL1
O


ATOM
3716
N
VAL
F
56
40.256
−46.370
−15.794
1.00
67.42
MOL1
N


ATOM
3717
CA
VAL
F
56
39.453
−45.160
−15.799
1.00
71.36
MOL1
C


ATOM
3718
CB
VAL
F
56
38.452
−45.142
−14.632
1.00
73.26
MOL1
C


ATOM
3719
CG1
VAL
F
56
37.261
−44.256
−14.991
1.00
73.49
MOL1
C


ATOM
3720
CG2
VAL
F
56
38.005
−46.558
−14.303
1.00
76.29
MOL1
C


ATOM
3721
C
VAL
F
56
40.269
−43.888
−15.750
1.00
71.95
MOL1
C


ATOM
3722
O
VAL
F
56
41.329
−43.832
−15.135
1.00
78.43
MOL1
O


ATOM
3723
N
THR
F
57
39.760
−42.863
−16.409
1.00
69.02
MOL1
N


ATOM
3724
CA
THR
F
57
40.433
−41.587
−16.437
1.00
72.75
MOL1
C


ATOM
3725
CB
THR
F
57
40.886
−41.263
−17.872
1.00
78.64
MOL1
C


ATOM
3726
OG1
THR
F
57
39.783
−40.762
−18.640
1.00
77.06
MOL1
O


ATOM
3727
CG2
THR
F
57
41.392
−42.536
−18.539
1.00
79.68
MOL1
C


ATOM
3728
C
THR
F
57
39.395
−40.585
−15.977
1.00
72.29
MOL1
C


ATOM
3729
O
THR
F
57
38.227
−40.685
−16.358
1.00
71.48
MOL1
O


ATOM
3730
N
TRP
F
58
39.797
−39.632
−15.147
1.00
68.75
MOL1
N


ATOM
3731
CA
TRP
F
58
38.842
−38.646
−14.685
1.00
67.42
MOL1
C


ATOM
3732
CB
TRP
F
58
38.601
−38.810
−13.178
1.00
76.07
MOL1
C


ATOM
3733
CG
TRP
F
58
37.579
−37.852
−12.651
1.00
87.01
MOL1
C


ATOM
3734
CD2
TRP
F
58
37.832
−36.661
−11.892
1.00
92.81
MOL1
C


ATOM
3735
CE2
TRP
F
58
36.597
−35.995
−11.735
1.00
94.18
MOL1
C


ATOM
3736
CE3
TRP
F
58
38.984
−36.090
−11.334
1.00
90.84
MOL1
C


ATOM
3737
CD1
TRP
F
58
36.236
−37.866
−12.903
1.00
86.10
MOL1
C


ATOM
3738
NE1
TRP
F
58
35.640
−36.751
−12.360
1.00
92.26
MOL1
N


ATOM
3739
CZ2
TRP
F
58
36.482
−34.788
−11.048
1.00
95.08
MOL1
C


ATOM
3740
CZ3
TRP
F
58
38.867
−34.894
−10.654
1.00
91.61
MOL1
C


ATOM
3741
CH2
TRP
F
58
37.626
−34.254
−10.517
1.00
95.27
MOL1
C


ATOM
3742
C
TRP
F
58
39.304
−37.233
−15.006
1.00
62.54
MOL1
C


ATOM
3743
O
TRP
F
58
40.418
−36.851
−14.682
1.00
66.07
MOL1
O


ATOM
3744
N
ASP
F
59
38.447
−36.468
−15.666
1.00
62.09
MOL1
N


ATOM
3745
CA
ASP
F
59
38.758
−35.088
−16.018
1.00
68.68
MOL1
C


ATOM
3746
CB
ASP
F
59
38.986
−34.921
−17.517
1.00
71.70
MOL1
C


ATOM
3747
CG
ASP
F
59
39.302
−33.480
−17.896
1.00
73.25
MOL1
C


ATOM
3748
OD1
ASP
F
59
38.726
−32.549
−17.286
1.00
64.92
MOL1
O


ATOM
3749
OD2
ASP
F
59
40.125
−33.281
−18.815
1.00
80.05
MOL1
O


ATOM
3750
C
ASP
F
59
37.580
−34.221
−15.648
1.00
74.69
MOL1
C


ATOM
3751
O
ASP
F
59
36.504
−34.332
−16.247
1.00
74.80
MOL1
O


ATOM
3752
N
PRO
F
60
37.768
−33.335
−14.664
1.00
78.98
MOL1
N


ATOM
3753
CD
PRO
F
60
38.998
−33.204
−13.869
1.00
79.46
MOL1
C


ATOM
3754
CA
PRO
F
60
36.738
−32.415
−14.178
1.00
80.65
MOL1
C


ATOM
3755
CB
PRO
F
60
37.440
−31.694
−13.026
1.00
80.21
MOL1
C


ATOM
3756
CG
PRO
F
60
38.886
−31.799
−13.381
1.00
80.21
MOL1
C


ATOM
3757
C
PRO
F
60
36.164
−31.457
−15.233
1.00
81.09
MOL1
C


ATOM
3758
O
PRO
F
60
35.046
−30.951
−15.067
1.00
83.18
MOL1
O


ATOM
3759
N
ASN
F
61
36.912
−31.217
−16.309
1.00
76.42
MOL1
N


ATOM
3760
CA
ASN
F
61
36.438
−30.336
−17.372
1.00
78.59
MOL1
C


ATOM
3761
CB
ASN
F
61
37.543
−29.386
−17.828
1.00
90.58
MOL1
C


ATOM
3762
CG
ASN
F
61
37.940
−28.403
−16.750
1.00
103.85
MOL1
C


ATOM
3763
OD1
ASN
F
61
37.083
−27.799
−16.097
1.00
106.74
MOL1
O


ATOM
3764
ND2
ASN
F
61
39.246
−28.226
−16.559
1.00
111.58
MOL1
N


ATOM
3765
C
ASN
F
61
35.966
−31.145
−18.558
1.00
74.54
MOL1
C


ATOM
3766
O
ASN
F
61
36.094
−30.719
−19.705
1.00
73.22
MOL1
O


ATOM
3767
N
ARG
F
62
35.410
−32.313
−18.275
1.00
72.69
MOL1
N


ATOM
3768
CA
ARG
F
62
34.933
−33.189
−19.328
1.00
72.28
MOL1
C


ATOM
3769
CB
ARG
F
62
36.011
−34.227
−19.647
1.00
71.86
MOL1
C


ATOM
3770
CG
ARG
F
62
35.657
−35.181
−20.775
1.00
73.66
MOL1
C


ATOM
3771
CD
ARG
F
62
36.784
−36.174
−21.045
1.00
70.50
MOL1
C


ATOM
3772
NE
ARG
F
62
37.021
−37.058
−19.909
1.00
63.47
MOL1
N


ATOM
3773
CZ
ARG
F
62
37.876
−38.076
−19.922
1.00
62.97
MOL1
C


ATOM
3774
NH1
ARG
F
62
38.580
−38.337
−21.017
1.00
67.00
MOL1
N


ATOM
3775
NH2
ARG
F
62
38.017
−38.843
−18.849
1.00
58.63
MOL1
N


ATOM
3776
C
ARG
F
62
33.653
−33.897
−18.917
1.00
72.52
MOL1
C


ATOM
3777
O
ARG
F
62
33.569
−34.453
−17.820
1.00
74.93
MOL1
O


ATOM
3778
N
TYR
F
63
32.648
−33.868
−19.785
1.00
68.99
MOL1
N


ATOM
3779
CA
TYR
F
63
31.416
−34.567
−19.477
1.00
66.19
MOL1
C


ATOM
3780
CB
TYR
F
63
30.227
−33.630
−19.378
1.00
74.78
MOL1
C


ATOM
3781
CG
TYR
F
63
28.946
−34.400
−19.155
1.00
81.35
MOL1
C


ATOM
3782
CD1
TYR
F
63
27.948
−34.430
−20.117
1.00
83.49
MOL1
C


ATOM
3783
CE1
TYR
F
63
26.796
−35.179
−19.930
1.00
88.75
MOL1
C


ATOM
3784
CD2
TYR
F
63
28.759
−35.137
−17.994
1.00
87.18
MOL1
C


ATOM
3785
CE2
TYR
F
63
27.614
−35.889
−17.795
1.00
92.81
MOL1
C


ATOM
3786
CZ
TYR
F
63
26.636
−35.908
−18.766
1.00
92.83
MOL1
C


ATOM
3787
OH
TYR
F
63
25.506
−36.673
−18.569
1.00
96.03
MOL1
O


ATOM
3788
C
TYR
F
63
31.130
−35.575
−20.552
1.00
63.85
MOL1
C


ATOM
3789
O
TYR
F
63
31.003
−35.223
−21.725
1.00
67.96
MOL1
O


ATOM
3790
N
PRO
F
64
31.055
−36.853
−20.171
1.00
58.19
MOL1
N


ATOM
3791
CD
PRO
F
64
30.733
−37.996
−21.039
1.00
62.74
MOL1
C


ATOM
3792
CA
PRO
F
64
31.237
−37.303
−18.798
1.00
57.91
MOL1
C


ATOM
3793
CB
PRO
F
64
30.807
−38.758
−18.859
1.00
66.16
MOL1
C


ATOM
3794
CG
PRO
F
64
31.243
−39.160
−20.219
1.00
63.83
MOL1
C


ATOM
3795
C
PRO
F
64
32.668
−37.167
−18.319
1.00
60.20
MOL1
C


ATOM
3796
O
PRO
F
64
33.603
−37.219
−19.107
1.00
55.01
MOL1
O


ATOM
3797
N
SER
F
65
32.817
−37.015
−17.008
1.00
66.64
MOL1
N


ATOM
3798
CA
SER
F
65
34.111
−36.862
−16.349
1.00
66.34
MOL1
C


ATOM
3799
CB
SER
F
65
33.875
−36.451
−14.907
1.00
75.37
MOL1
C


ATOM
3800
OG
SER
F
65
32.951
−37.347
−14.296
1.00
92.37
MOL1
O


ATOM
3801
C
SER
F
65
34.950
−38.137
−16.375
1.00
63.39
MOL1
C


ATOM
3802
O
SER
F
65
36.153
−38.086
−16.623
1.00
65.34
MOL1
O


ATOM
3803
N
GLU
F
66
34.324
−39.276
−16.090
1.00
58.70
MOL1
N


ATOM
3804
CA
GLU
F
66
35.033
−40.551
−16.106
1.00
60.70
MOL1
C


ATOM
3805
CB
GLU
F
66
34.458
−41.543
−15.073
1.00
69.86
MOL1
C


ATOM
3806
CG
GLU
F
66
34.838
−41.313
−13.593
1.00
97.36
MOL1
C


ATOM
3807
CD
GLU
F
66
33.864
−40.401
−12.812
1.00
111.30
MOL1
C


ATOM
3808
OE1
GLU
F
66
34.168
−40.083
−11.635
1.00
113.19
MOL1
O


ATOM
3809
OE2
GLU
F
66
32.802
−40.008
−13.357
1.00
118.22
MOL1
O


ATOM
3810
C
GLU
F
66
34.898
−41.177
−17.486
1.00
61.75
MOL1
C


ATOM
3811
O
GLU
F
66
33.811
−41.182
−18.070
1.00
65.70
MOL1
O


ATOM
3812
N
VAL
F
67
36.005
−41.684
−18.020
1.00
59.43
MOL1
N


ATOM
3813
CA
VAL
F
67
35.980
−42.357
−19.313
1.00
54.35
MOL1
C


ATOM
3814
CB
VAL
F
67
36.684
−41.569
−20.407
1.00
47.87
MOL1
C


ATOM
3815
CG1
VAL
F
67
36.666
−42.369
−21.679
1.00
45.44
MOL1
C


ATOM
3816
CG2
VAL
F
67
35.985
−40.265
−20.640
1.00
49.36
MOL1
C


ATOM
3817
C
VAL
F
67
36.725
−43.654
−19.122
1.00
56.91
MOL1
C


ATOM
3818
O
VAL
F
67
37.925
−43.648
−18.848
1.00
59.77
MOL1
O


ATOM
3819
N
VAL
F
68
36.010
−44.762
−19.266
1.00
54.74
MOL1
N


ATOM
3820
CA
VAL
F
68
36.603
−46.067
−19.074
1.00
53.09
MOL1
C


ATOM
3821
CB
VAL
F
68
35.673
−46.929
−18.297
1.00
55.87
MOL1
C


ATOM
3822
CG1
VAL
F
68
36.351
−48.230
−17.923
1.00
58.77
MOL1
C


ATOM
3823
CG2
VAL
F
68
35.217
−46.170
−17.103
1.00
65.85
MOL1
C


ATOM
3824
C
VAL
F
68
36.941
−46.794
−20.358
1.00
54.55
MOL1
C


ATOM
3825
O
VAL
F
68
36.078
−46.982
−21.232
1.00
52.08
MOL1
O


ATOM
3826
N
GLN
F
69
38.199
−47.227
−20.438
1.00
51.16
MOL1
N


ATOM
3827
CA
GLN
F
69
38.722
−47.943
−21.590
1.00
49.53
MOL1
C


ATOM
3828
CB
GLN
F
69
39.974
−47.243
−22.097
1.00
50.63
MOL1
C


ATOM
3829
CG
GLN
F
69
39.772
−45.810
−22.539
1.00
45.74
MOL1
C


ATOM
3830
CD
GLN
F
69
39.337
−45.726
−23.977
1.00
48.55
MOL1
C


ATOM
3831
OE1
GLN
F
69
39.230
−46.743
−24.672
1.00
52.21
MOL1
O


ATOM
3832
NE2
GLN
F
69
39.092
−44.512
−24.441
1.00
40.51
MOL1
N


ATOM
3833
C
GLN
F
69
39.081
−49.352
−21.170
1.00
50.82
MOL1
C


ATOM
3834
O
GLN
F
69
39.650
−49.548
−20.096
1.00
51.37
MOL1
O


ATOM
3835
N
ALA
F
70
38.758
−50.321
−22.024
1.00
52.64
MOL1
N


ATOM
3836
CA
ALA
F
70
39.037
−51.736
−21.767
1.00
57.49
MOL1
C


ATOM
3837
CB
ALA
F
70
37.879
−52.577
−22.266
1.00
55.06
MOL1
C


ATOM
3838
C
ALA
F
70
40.321
−52.181
−22.460
1.00
57.95
MOL1
C


ATOM
3839
O
ALA
F
70
40.815
−51.489
−23.341
1.00
66.12
MOL1
O


ATOM
3840
N
GLN
F
71
40.850
−53.339
−22.077
1.00
55.45
MOL1
N


ATOM
3841
CA
GLN
F
71
42.067
−53.859
−22.690
1.00
51.57
MOL1
C


ATOM
3842
CB
GLN
F
71
43.286
−53.410
−21.893
1.00
57.65
MOL1
C


ATOM
3843
CG
GLN
F
71
43.255
−51.991
−21.378
1.00
73.00
MOL1
C


ATOM
3844
CD
GLN
F
71
44.614
−51.574
−20.838
1.00
89.88
MOL1
C


ATOM
3845
OE1
GLN
F
71
45.539
−51.263
−21.603
1.00
87.49
MOL1
O


ATOM
3846
NE2
GLN
F
71
44.751
−51.590
−19.512
1.00
98.59
MOL1
N


ATOM
3847
C
GLN
F
71
42.030
−55.376
−22.649
1.00
45.36
MOL1
C


ATOM
3848
O
GLN
F
71
42.037
−55.923
−21.563
1.00
49.02
MOL1
O


ATOM
3849
N
CYS
F
72
42.007
−56.067
−23.787
1.00
40.81
MOL1
N


ATOM
3850
CA
CYS
F
72
41.987
−57.536
−23.735
1.00
46.47
MOL1
C


ATOM
3851
C
CYS
F
72
43.147
−58.100
−22.906
1.00
50.35
MOL1
C


ATOM
3852
O
CYS
F
72
44.312
−57.779
−23.134
1.00
49.99
MOL1
O


ATOM
3853
CB
CYS
F
72
42.036
−58.167
−25.130
1.00
49.20
MOL1
C


ATOM
3854
SG
CYS
F
72
40.821
−57.505
−26.309
1.00
63.66
MOL1
S


ATOM
3855
N
ARG
F
73
42.808
−58.960
−21.951
1.00
58.42
MOL1
N


ATOM
3856
CA
ARG
F
73
43.772
−59.571
−21.043
1.00
60.73
MOL1
C


ATOM
3857
CB
ARG
F
73
43.019
−60.283
−19.910
1.00
66.85
MOL1
C


ATOM
3858
CG
ARG
F
73
43.140
−59.651
−18.519
1.00
75.53
MOL1
C


ATOM
3859
CD
ARG
F
73
42.787
−60.677
−17.422
1.00
86.65
MOL1
C


ATOM
3860
NE
ARG
F
73
43.657
−61.858
−17.489
1.00
99.91
MOL1
N


ATOM
3861
CZ
ARG
F
73
43.302
−63.086
−17.111
1.00
102.54
MOL1
C


ATOM
3862
NH1
ARG
F
73
42.085
−63.302
−16.631
1.00
103.80
MOL1
N


ATOM
3863
NH2
ARG
F
73
44.153
−64.103
−17.235
1.00
99.72
MOL1
N


ATOM
3864
C
ARG
F
73
44.750
−60.554
−21.685
1.00
61.26
MOL1
C


ATOM
3865
O
ARG
F
73
45.881
−60.682
−21.226
1.00
62.79
MOL1
O


ATOM
3866
N
ASN
F
74
44.325
−61.251
−22.732
1.00
60.98
MOL1
N


ATOM
3867
CA
ASN
F
74
45.201
−62.223
−23.374
1.00
64.24
MOL1
C


ATOM
3868
CB
ASN
F
74
44.846
−63.619
−22.878
1.00
75.85
MOL1
C


ATOM
3869
CG
ASN
F
74
45.008
−63.752
−21.367
1.00
86.27
MOL1
C


ATOM
3870
OD1
ASN
F
74
44.398
−64.618
−20.733
1.00
96.59
MOL1
O


ATOM
3871
ND2
ASN
F
74
45.845
−62.900
−20.786
1.00
87.18
MOL1
N


ATOM
3872
C
ASN
F
74
45.093
−62.147
−24.882
1.00
61.52
MOL1
C


ATOM
3873
O
ASN
F
74
44.317
−61.362
−25.396
1.00
65.30
MOL1
O


ATOM
3874
N
LEU
F
75
45.880
−62.940
−25.596
1.00
59.68
MOL1
N


ATOM
3875
CA
LEU
F
75
45.820
−62.906
−27.049
1.00
57.37
MOL1
C


ATOM
3876
CB
LEU
F
75
47.182
−63.191
−27.668
1.00
53.74
MOL1
C


ATOM
3877
CG
LEU
F
75
48.268
−62.124
−27.616
1.00
53.32
MOL1
C


ATOM
3878
CD1
LEU
F
75
49.181
−62.346
−28.811
1.00
45.91
MOL1
C


ATOM
3879
CD2
LEU
F
75
47.671
−60.728
−27.665
1.00
48.65
MOL1
C


ATOM
3880
C
LEU
F
75
44.831
−63.920
−27.570
1.00
62.93
MOL1
C


ATOM
3881
O
LEU
F
75
44.110
−63.657
−28.525
1.00
64.55
MOL1
O


ATOM
3882
N
GLY
F
76
44.816
−65.096
−26.956
1.00
71.53
MOL1
N


ATOM
3883
CA
GLY
F
76
43.887
−66.131
−27.379
1.00
78.22
MOL1
C


ATOM
3884
C
GLY
F
76
42.646
−66.040
−26.519
1.00
82.80
MOL1
C


ATOM
3885
O
GLY
F
76
42.425
−65.013
−25.862
1.00
85.29
MOL1
O


ATOM
3886
N
CYS
F
77
41.836
−67.095
−26.517
1.00
81.74
MOL1
N


ATOM
3887
CA
CYS
F
77
40.624
−67.120
−25.707
1.00
84.88
MOL1
C


ATOM
3888
C
CYS
F
77
40.850
−68.125
−24.597
1.00
85.30
MOL1
C


ATOM
3889
O
CYS
F
77
41.829
−68.859
−24.622
1.00
90.02
MOL1
O


ATOM
3890
CB
CYS
F
77
39.437
−67.525
−26.568
1.00
84.73
MOL1
C


ATOM
3891
SG
CYS
F
77
39.328
−66.515
−28.080
1.00
95.89
MOL1
S


ATOM
3892
N
ILE
F
78
39.944
−68.165
−23.634
1.00
87.14
MOL1
N


ATOM
3893
CA
ILE
F
78
40.065
−69.061
−22.500
1.00
95.81
MOL1
C


ATOM
3894
CB
ILE
F
78
39.979
−68.213
−21.219
1.00
94.33
MOL1
C


ATOM
3895
CG2
ILE
F
78
39.306
−68.996
−20.107
1.00
97.42
MOL1
C


ATOM
3896
CG1
ILE
F
78
41.372
−67.662
−20.891
1.00
94.21
MOL1
C


ATOM
3897
CD1
ILE
F
78
41.471
−66.931
−19.555
1.00
94.35
MOL1
C


ATOM
3898
C
ILE
F
78
39.002
−70.175
−22.483
1.00
103.80
MOL1
C


ATOM
3899
O
ILE
F
78
37.848
−69.926
−22.812
1.00
106.45
MOL1
O


ATOM
3900
N
ASN
F
79
39.395
−71.394
−22.106
1.00
112.68
MOL1
N


ATOM
3901
CA
ASN
F
79
38.471
−72.535
−22.043
1.00
122.59
MOL1
C


ATOM
3902
CB
ASN
F
79
39.182
−73.837
−22.434
1.00
129.08
MOL1
C


ATOM
3903
CG
ASN
F
79
39.563
−73.893
−23.900
1.00
139.42
MOL1
C


ATOM
3904
OD1
ASN
F
79
38.707
−73.800
−24.788
1.00
144.42
MOL1
O


ATOM
3905
ND2
ASN
F
79
40.857
−74.059
−24.165
1.00
143.29
MOL1
N


ATOM
3906
C
ASN
F
79
37.907
−72.729
−20.637
1.00
126.34
MOL1
C


ATOM
3907
O
ASN
F
79
37.789
−71.778
−19.861
1.00
124.78
MOL1
O


ATOM
3908
N
ALA
F
80
37.566
−73.981
−20.326
1.00
130.91
MOL1
N


ATOM
3909
CA
ALA
F
80
37.036
−74.346
−19.014
1.00
133.29
MOL1
C


ATOM
3910
CB
ALA
F
80
36.611
−75.812
−19.003
1.00
131.58
MOL1
C


ATOM
3911
C
ALA
F
80
38.132
−74.114
−17.987
1.00
135.12
MOL1
C


ATOM
3912
O
ALA
F
80
38.652
−75.064
−17.396
1.00
132.96
MOL1
O


ATOM
3913
N
GLN
F
81
38.484
−72.844
−17.796
1.00
139.60
MOL1
N


ATOM
3914
CA
GLN
F
81
39.526
−72.455
−16.852
1.00
142.21
MOL1
C


ATOM
3915
CB
GLN
F
81
39.186
−73.013
−15.463
1.00
144.86
MOL1
C


ATOM
3916
CG
GLN
F
81
40.143
−72.625
−14.348
1.00
147.70
MOL1
C


ATOM
3917
CD
GLN
F
81
39.934
−73.457
−13.094
1.00
151.40
MOL1
C


ATOM
3918
OE1
GLN
F
81
40.540
−73.195
−12.054
1.00
154.30
MOL1
O


ATOM
3919
NE2
GLN
F
81
39.077
−74.470
−13.190
1.00
150.41
MOL1
N


ATOM
3920
C
GLN
F
81
40.860
−73.028
−17.330
1.00
140.95
MOL1
C


ATOM
3921
O
GLN
F
81
41.834
−73.066
−16.579
1.00
143.16
MOL1
O


ATOM
3922
N
GLY
F
82
40.899
−73.459
−18.589
1.00
137.86
MOL1
N


ATOM
3923
CA
GLY
F
82
42.101
−74.066
−19.130
1.00
132.06
MOL1
C


ATOM
3924
C
GLY
F
82
43.000
−73.207
−19.990
1.00
126.42
MOL1
C


ATOM
3925
O
GLY
F
82
43.433
−73.635
−21.055
1.00
124.30
MOL1
O


ATOM
3926
N
LYS
F
83
43.282
−71.997
−19.527
1.00
123.62
MOL1
N


ATOM
3927
CA
LYS
F
83
44.169
−71.077
−20.237
1.00
121.91
MOL1
C


ATOM
3928
CB
LYS
F
83
45.638
−71.440
−19.938
1.00
128.60
MOL1
C


ATOM
3929
CG
LYS
F
83
46.659
−70.323
−20.198
1.00
130.49
MOL1
C


ATOM
3930
CD
LYS
F
83
48.091
−70.760
−19.873
1.00
133.53
MOL1
C


ATOM
3931
CE
LYS
F
83
48.585
−71.854
−20.823
1.00
134.47
MOL1
C


ATOM
3932
NZ
LYS
F
83
50.000
−72.257
−20.552
1.00
131.10
MOL1
N


ATOM
3933
C
LYS
F
83
43.965
−70.982
−21.756
1.00
115.06
MOL1
C


ATOM
3934
O
LYS
F
83
43.163
−71.708
−22.353
1.00
110.32
MOL1
O


ATOM
3935
N
GLU
F
84
44.729
−70.073
−22.358
1.00
109.95
MOL1
N


ATOM
3936
CA
GLU
F
84
44.687
−69.776
−23.786
1.00
102.67
MOL1
C


ATOM
3937
CB
GLU
F
84
45.936
−68.982
−24.206
1.00
106.26
MOL1
C


ATOM
3938
CG
GLU
F
84
45.882
−67.490
−23.901
1.00
110.45
MOL1
C


ATOM
3939
CD
GLU
F
84
47.099
−66.735
−24.414
1.00
114.20
MOL1
C


ATOM
3940
OE1
GLU
F
84
47.116
−65.489
−24.292
1.00
116.18
MOL1
O


ATOM
3941
OE2
GLU
F
84
48.037
−67.383
−24.935
1.00
116.06
MOL1
O


ATOM
3942
C
GLU
F
84
44.511
−70.921
−24.758
1.00
93.83
MOL1
C


ATOM
3943
O
GLU
F
84
44.848
−72.067
−24.482
1.00
91.06
MOL1
O


ATOM
3944
N
ASP
F
85
43.956
−70.567
−25.909
1.00
87.09
MOL1
N


ATOM
3945
CA
ASP
F
85
43.753
−71.489
−27.007
1.00
84.02
MOL1
C


ATOM
3946
CB
ASP
F
85
42.350
−72.054
−27.032
1.00
79.98
MOL1
C


ATOM
3947
CG
ASP
F
85
42.134
−72.933
−28.234
1.00
81.68
MOL1
C


ATOM
3948
OD1
ASP
F
85
42.464
−74.132
−28.154
1.00
92.83
MOL1
O


ATOM
3949
OD2
ASP
F
85
41.674
−72.420
−29.272
1.00
73.58
MOL1
O


ATOM
3950
C
ASP
F
85
43.964
−70.688
−28.283
1.00
80.46
MOL1
C


ATOM
3951
O
ASP
F
85
43.022
−70.425
−29.023
1.00
83.23
MOL1
O


ATOM
3952
N
ILE
F
86
45.210
−70.305
−28.528
1.00
73.01
MOL1
N


ATOM
3953
CA
ILE
F
86
45.587
−69.511
−29.685
1.00
66.86
MOL1
C


ATOM
3954
CB
ILE
F
86
47.086
−69.616
−29.916
1.00
62.51
MOL1
C


ATOM
3955
CG2
ILE
F
86
47.517
−68.659
−31.001
1.00
65.24
MOL1
C


ATOM
3956
CG1
ILE
F
86
47.819
−69.275
−28.627
1.00
63.85
MOL1
C


ATOM
3957
CD1
ILE
F
86
47.574
−67.867
−28.164
1.00
67.54
MOL1
C


ATOM
3958
C
ILE
F
86
44.878
−69.862
−30.990
1.00
68.99
MOL1
C


ATOM
3959
O
ILE
F
86
44.976
−69.131
−31.968
1.00
68.04
MOL1
O


ATOM
3960
N
SER
F
87
44.180
−70.986
−31.019
1.00
71.82
MOL1
N


ATOM
3961
CA
SER
F
87
43.469
−71.387
−32.221
1.00
74.84
MOL1
C


ATOM
3962
CB
SER
F
87
42.552
−72.576
−31.903
1.00
82.77
MOL1
C


ATOM
3963
OG
SER
F
87
41.886
−73.074
−33.056
1.00
95.03
MOL1
O


ATOM
3964
C
SER
F
87
42.646
−70.187
−32.667
1.00
72.74
MOL1
C


ATOM
3965
O
SER
F
87
42.545
−69.884
−33.857
1.00
76.14
MOL1
O


ATOM
3966
N
MET
F
88
42.063
−69.508
−31.686
1.00
66.96
MOL1
N


ATOM
3967
CA
MET
F
88
41.255
−68.327
−31.930
1.00
63.80
MOL1
C


ATOM
3968
CB
MET
F
88
39.776
−68.664
−31.766
1.00
69.38
MOL1
C


ATOM
3969
CG
MET
F
88
39.454
−69.527
−30.563
1.00
66.78
MOL1
C


ATOM
3970
SD
MET
F
88
37.930
−70.420
−30.863
1.00
82.70
MOL1
S


ATOM
3971
CE
MET
F
88
37.841
−70.294
−32.706
1.00
63.90
MOL1
C


ATOM
3972
C
MET
F
88
41.698
−67.259
−30.946
1.00
59.78
MOL1
C


ATOM
3973
O
MET
F
88
42.161
−67.568
−29.852
1.00
59.48
MOL1
O


ATOM
3974
N
ASN
F
89
41.576
−65.998
−31.329
1.00
55.69
MOL1
N


ATOM
3975
CA
ASN
F
89
42.027
−64.939
−30.444
1.00
53.75
MOL1
C


ATOM
3976
CB
ASN
F
89
43.081
−64.070
−31.142
1.00
52.35
MOL1
C


ATOM
3977
CG
ASN
F
89
43.344
−64.504
−32.578
1.00
64.68
MOL1
C


ATOM
3978
OD1
ASN
F
89
42.488
−64.364
−33.479
1.00
58.98
MOL1
O


ATOM
3979
ND2
ASN
F
89
44.542
−65.039
−32.803
1.00
63.95
MOL1
N


ATOM
3980
C
ASN
F
89
40.906
−64.057
−29.958
1.00
49.73
MOL1
C


ATOM
3981
O
ASN
F
89
39.824
−64.029
−30.535
1.00
44.83
MOL1
O


ATOM
3982
N
SER
F
90
41.187
−63.339
−28.882
1.00
47.88
MOL1
N


ATOM
3983
CA
SER
F
90
40.236
−62.421
−28.309
1.00
46.14
MOL1
C


ATOM
3984
CB
SER
F
90
40.332
−62.444
−26.788
1.00
50.49
MOL1
C


ATOM
3985
OG
SER
F
90
41.550
−61.893
−26.350
1.00
54.17
MOL1
O


ATOM
3986
C
SER
F
90
40.602
−61.044
−28.842
1.00
45.32
MOL1
C


ATOM
3987
O
SER
F
90
41.759
−60.661
−28.846
1.00
44.68
MOL1
O


ATOM
3988
N
VAL
F
91
39.606
−60.299
−29.296
1.00
49.75
MOL1
N


ATOM
3989
CA
VAL
F
91
39.835
−58.975
−29.855
1.00
43.00
MOL1
C


ATOM
3990
CB
VAL
F
91
39.562
−58.996
−31.353
1.00
44.58
MOL1
C


ATOM
3991
CG1
VAL
F
91
40.346
−60.112
−32.007
1.00
39.33
MOL1
C


ATOM
3992
CG2
VAL
F
91
38.088
−59.190
−31.590
1.00
43.86
MOL1
C


ATOM
3993
C
VAL
F
91
38.951
−57.901
−29.225
1.00
40.23
MOL1
C


ATOM
3994
O
VAL
F
91
37.839
−58.165
−28.784
1.00
41.96
MOL1
O


ATOM
3995
N
PRO
F
92
39.438
−56.664
−29.196
1.00
38.69
MOL1
N


ATOM
3996
CD
PRO
F
92
40.726
−56.207
−29.746
1.00
35.80
MOL1
C


ATOM
3997
CA
PRO
F
92
38.702
−55.543
−28.622
1.00
36.62
MOL1
C


ATOM
3998
CB
PRO
F
92
39.752
−54.448
−28.580
1.00
36.65
MOL1
C


ATOM
3999
CG
PRO
F
92
40.517
−54.706
−29.835
1.00
30.67
MOL1
C


ATOM
4000
C
PRO
F
92
37.536
−55.119
−29.479
1.00
40.66
MOL1
C


ATOM
4001
O
PRO
F
92
37.569
−55.269
−30.707
1.00
34.89
MOL1
O


ATOM
4002
N
ILE
F
93
36.510
−54.586
−28.817
1.00
47.41
MOL1
N


ATOM
4003
CA
ILE
F
93
35.332
−54.039
−29.486
1.00
50.35
MOL1
C


ATOM
4004
CB
ILE
F
93
34.036
−54.655
−28.992
1.00
45.89
MOL1
C


ATOM
4005
CG2
ILE
F
93
32.872
−53.861
−29.482
1.00
41.56
MOL1
C


ATOM
4006
CG1
ILE
F
93
33.907
−56.042
−29.582
1.00
52.55
MOL1
C


ATOM
4007
CD1
ILE
F
93
34.323
−56.053
−31.053
1.00
54.32
MOL1
C


ATOM
4008
C
ILE
F
93
35.358
−52.563
−29.143
1.00
52.88
MOL1
C


ATOM
4009
O
ILE
F
93
35.367
−52.186
−27.965
1.00
53.96
MOL1
O


ATOM
4010
N
GLN
F
94
35.390
−51.726
−30.169
1.00
54.61
MOL1
N


ATOM
4011
CA
GLN
F
94
35.480
−50.299
−29.932
1.00
61.83
MOL1
C


ATOM
4012
CB
GLN
F
94
36.777
−49.786
−30.567
1.00
65.47
MOL1
C


ATOM
4013
CG
GLN
F
94
37.895
−50.835
−30.493
1.00
73.25
MOL1
C


ATOM
4014
CD
GLN
F
94
39.256
−50.339
−30.958
1.00
80.32
MOL1
C


ATOM
4015
OE1
GLN
F
94
39.385
−49.742
−32.025
1.00
85.68
MOL1
O


ATOM
4016
NE2
GLN
F
94
40.285
−50.606
−30.159
1.00
82.71
MOL1
N


ATOM
4017
C
GLN
F
94
34.270
−49.526
−30.436
1.00
62.17
MOL1
C


ATOM
4018
O
GLN
F
94
33.593
−49.945
−31.369
1.00
61.53
MOL1
O


ATOM
4019
N
GLN
F
95
33.980
−48.411
−29.784
1.00
64.37
MOL1
N


ATOM
4020
CA
GLN
F
95
32.865
−47.585
−30.193
1.00
69.61
MOL1
C


ATOM
4021
CB
GLN
F
95
31.633
−47.854
−29.324
1.00
76.42
MOL1
C


ATOM
4022
CG
GLN
F
95
30.368
−47.159
−29.829
1.00
90.85
MOL1
C


ATOM
4023
CD
GLN
F
95
29.994
−47.569
−31.257
1.00
99.98
MOL1
C


ATOM
4024
OE1
GLN
F
95
30.834
−47.553
−32.165
1.00
101.86
MOL1
O


ATOM
4025
NE2
GLN
F
95
28.725
−47.925
−31.461
1.00
101.41
MOL1
N


ATOM
4026
C
GLN
F
95
33.286
−46.126
−30.092
1.00
72.26
MOL1
C


ATOM
4027
O
GLN
F
95
33.953
−45.722
−29.137
1.00
74.42
MOL1
O


ATOM
4028
N
GLU
F
96
32.925
−45.342
−31.100
1.00
72.04
MOL1
N


ATOM
4029
CA
GLU
F
96
33.260
−43.926
−31.106
1.00
73.98
MOL1
C


ATOM
4030
CB
GLU
F
96
33.285
−43.385
−32.533
1.00
89.18
MOL1
C


ATOM
4031
CG
GLU
F
96
33.479
−44.450
−33.609
1.00
111.90
MOL1
C


ATOM
4032
CD
GLU
F
96
32.691
−44.149
−34.886
1.00
123.07
MOL1
C


ATOM
4033
OE1
GLU
F
96
32.906
−43.070
−35.490
1.00
128.72
MOL1
O


ATOM
4034
OE2
GLU
F
96
31.853
−44.996
−35.283
1.00
126.28
MOL1
O


ATOM
4035
C
GLU
F
96
32.164
−43.214
−30.327
1.00
69.11
MOL1
C


ATOM
4036
O
GLU
F
96
30.976
−43.450
−30.547
1.00
65.22
MOL1
O


ATOM
4037
N
THR
F
97
32.553
−42.346
−29.409
1.00
66.72
MOL1
N


ATOM
4038
CA
THR
F
97
31.563
−41.626
−28.639
1.00
65.32
MOL1
C


ATOM
4039
CB
THR
F
97
31.453
−42.179
−27.217
1.00
70.87
MOL1
C


ATOM
4040
OG1
THR
F
97
30.424
−41.476
−26.502
1.00
77.01
MOL1
O


ATOM
4041
CG2
THR
F
97
32.777
−42.012
−26.490
1.00
74.82
MOL1
C


ATOM
4042
C
THR
F
97
31.919
−40.157
−28.572
1.00
63.86
MOL1
C


ATOM
4043
O
THR
F
97
33.015
−39.749
−28.959
1.00
62.62
MOL1
O


ATOM
4044
N
LEU
F
98
30.972
−39.367
−28.083
1.00
62.38
MOL1
N


ATOM
4045
CA
LEU
F
98
31.149
−37.931
−27.943
1.00
55.68
MOL1
C


ATOM
4046
CB
LEU
F
98
29.928
−37.211
−28.489
1.00
46.64
MOL1
C


ATOM
4047
CG
LEU
F
98
30.174
−36.317
−29.694
1.00
53.13
MOL1
C


ATOM
4048
CD1
LEU
F
98
31.477
−36.689
−30.361
1.00
50.09
MOL1
C


ATOM
4049
CD2
LEU
F
98
28.999
−36.448
−30.655
1.00
50.02
MOL1
C


ATOM
4050
C
LEU
F
98
31.317
−37.557
−26.483
1.00
56.71
MOL1
C


ATOM
4051
O
LEU
F
98
30.759
−38.205
−25.593
1.00
61.16
MOL1
O


ATOM
4052
N
VAL
F
99
32.104
−36.521
−26.236
1.00
55.74
MOL1
N


ATOM
4053
CA
VAL
F
99
32.297
−36.019
−24.879
1.00
59.04
MOL1
C


ATOM
4054
CB
VAL
F
99
33.607
−36.506
−24.238
1.00
58.49
MOL1
C


ATOM
4055
CG1
VAL
F
99
33.606
−38.022
−24.126
1.00
57.95
MOL1
C


ATOM
4056
CG2
VAL
F
99
34.780
−36.021
−25.046
1.00
61.88
MOL1
C


ATOM
4057
C
VAL
F
99
32.349
−34.513
−25.011
1.00
59.25
MOL1
C


ATOM
4058
O
VAL
F
99
32.518
−33.992
−26.107
1.00
61.46
MOL1
O


ATOM
4059
N
VAL
F
100
32.190
−33.800
−23.911
1.00
60.54
MOL1
N


ATOM
4060
CA
VAL
F
100
32.228
−32.354
−24.000
1.00
66.71
MOL1
C


ATOM
4061
CB
VAL
F
100
30.931
−31.750
−23.498
1.00
65.97
MOL1
C


ATOM
4062
CG1
VAL
F
100
29.859
−31.863
−24.556
1.00
67.66
MOL1
C


ATOM
4063
CG2
VAL
F
100
30.506
−32.480
−22.247
1.00
64.33
MOL1
C


ATOM
4064
C
VAL
F
100
33.362
−31.793
−23.178
1.00
73.23
MOL1
C


ATOM
4065
O
VAL
F
100
33.632
−32.274
−22.070
1.00
74.60
MOL1
O


ATOM
4066
N
ARG
F
101
34.032
−30.783
−23.727
1.00
76.93
MOL1
N


ATOM
4067
CA
ARG
F
101
35.127
−30.142
−23.024
1.00
83.86
MOL1
C


ATOM
4068
CB
ARG
F
101
36.377
−30.089
−23.896
1.00
85.11
MOL1
C


ATOM
4069
CG
ARG
F
101
37.053
−31.438
−23.963
1.00
92.87
MOL1
C


ATOM
4070
CD
ARG
F
101
38.536
−31.369
−24.259
1.00
97.30
MOL1
C


ATOM
4071
NE
ARG
F
101
39.193
−32.540
−23.689
1.00
100.67
MOL1
N


ATOM
4072
CZ
ARG
F
101
39.300
−32.762
−22.383
1.00
102.06
MOL1
C


ATOM
4073
NH1
ARG
F
101
38.803
−31.884
−21.521
1.00
100.04
MOL1
N


ATOM
4074
NH2
ARG
F
101
39.881
−33.870
−21.936
1.00
104.84
MOL1
N


ATOM
4075
C
ARG
F
101
34.721
−28.753
−22.585
1.00
89.71
MOL1
C


ATOM
4076
O
ARG
F
101
34.097
−28.005
−23.340
1.00
89.09
MOL1
O


ATOM
4077
N
ARG
F
102
35.054
−28.430
−21.341
1.00
97.16
MOL1
N


ATOM
4078
CA
ARG
F
102
34.730
−27.135
−20.767
1.00
107.35
MOL1
C


ATOM
4079
CB
ARG
F
102
34.273
−27.316
−19.312
1.00
110.28
MOL1
C


ATOM
4080
CG
ARG
F
102
33.813
−26.036
−18.622
1.00
116.90
MOL1
C


ATOM
4081
CD
ARG
F
102
33.005
−26.322
−17.350
1.00
118.91
MOL1
C


ATOM
4082
NE
ARG
F
102
33.782
−26.977
−16.298
1.00
119.03
MOL1
N


ATOM
4083
CZ
ARG
F
102
33.271
−27.386
−15.140
1.00
119.45
MOL1
C


ATOM
4084
NH1
ARG
F
102
31.980
−27.207
−14.885
1.00
119.89
MOL1
N


ATOM
4085
NH2
ARG
F
102
34.046
−27.974
−14.237
1.00
117.70
MOL1
N


ATOM
4086
C
ARG
F
102
35.983
−26.276
−20.837
1.00
113.63
MOL1
C


ATOM
4087
O
ARG
F
102
36.818
−26.307
−19.931
1.00
116.27
MOL1
O


ATOM
4088
N
LYS
F
103
36.121
−25.518
−21.922
1.00
120.15
MOL1
N


ATOM
4089
CA
LYS
F
103
37.293
−24.668
−22.103
1.00
128.06
MOL1
C


ATOM
4090
CB
LYS
F
103
37.552
−24.419
−23.600
1.00
129.18
MOL1
C


ATOM
4091
CG
LYS
F
103
38.204
−25.604
−24.315
1.00
133.24
MOL1
C


ATOM
4092
CD
LYS
F
103
38.661
−25.262
−25.732
1.00
137.99
MOL1
C


ATOM
4093
CE
LYS
F
103
39.419
−26.434
−26.373
1.00
140.56
MOL1
C


ATOM
4094
NZ
LYS
F
103
39.910
−26.140
−27.757
1.00
139.88
MOL1
N


ATOM
4095
C
LYS
F
103
37.224
−23.342
−21.350
1.00
133.17
MOL1
C


ATOM
4096
O
LYS
F
103
36.158
−22.726
−21.244
1.00
134.08
MOL1
O


ATOM
4097
N
HIS
F
104
38.373
−22.927
−20.814
1.00
137.83
MOL1
N


ATOM
4098
CA
HIS
F
104
38.500
−21.675
−20.074
1.00
144.47
MOL1
C


ATOM
4099
CB
HIS
F
104
37.925
−20.528
−20.916
1.00
150.75
MOL1
C


ATOM
4100
CG
HIS
F
104
38.359
−20.554
−22.353
1.00
158.24
MOL1
C


ATOM
4101
CD2
HIS
F
104
39.416
−21.150
−22.957
1.00
161.11
MOL1
C


ATOM
4102
ND1
HIS
F
104
37.660
−19.911
−23.354
1.00
160.78
MOL1
N


ATOM
4103
CE1
HIS
F
104
38.266
−20.111
−24.512
1.00
162.24
MOL1
C


ATOM
4104
NE2
HIS
F
104
39.334
−20.860
−24.299
1.00
162.96
MOL1
N


ATOM
4105
C
HIS
F
104
37.800
−21.739
−18.707
1.00
147.30
MOL1
C


ATOM
4106
O
HIS
F
104
37.140
−22.730
−18.378
1.00
145.39
MOL1
O


ATOM
4107
N
GLN
F
105
37.956
−20.683
−17.909
1.00
150.81
MOL1
N


ATOM
4108
CA
GLN
F
105
37.335
−20.621
−16.586
1.00
150.93
MOL1
C


ATOM
4109
CB
GLN
F
105
38.403
−20.763
−15.478
1.00
153.40
MOL1
C


ATOM
4110
CG
GLN
F
105
39.723
−20.006
−15.700
1.00
154.82
MOL1
C


ATOM
4111
CD
GLN
F
105
39.681
−18.548
−15.257
1.00
155.99
MOL1
C


ATOM
4112
OE1
GLN
F
105
40.679
−17.829
−15.362
1.00
154.70
MOL1
O


ATOM
4113
NE2
GLN
F
105
38.531
−18.108
−14.755
1.00
155.92
MOL1
N


ATOM
4114
C
GLN
F
105
36.496
−19.357
−16.366
1.00
149.14
MOL1
C


ATOM
4115
O
GLN
F
105
36.445
−18.464
−17.221
1.00
145.42
MOL1
O


ATOM
4116
N
GLY
F
106
35.819
−19.305
−15.223
1.00
147.74
MOL1
N


ATOM
4117
CA
GLY
F
106
34.997
−18.154
−14.897
1.00
147.34
MOL1
C


ATOM
4118
C
GLY
F
106
33.842
−17.884
−15.843
1.00
147.13
MOL1
C


ATOM
4119
O
GLY
F
106
33.125
−18.801
−16.246
1.00
145.82
MOL1
O


ATOM
4120
N
CYS
F
107
33.654
−16.617
−16.200
1.00
147.53
MOL1
N


ATOM
4121
CA
CYS
F
107
32.558
−16.255
−17.086
1.00
148.41
MOL1
C


ATOM
4122
C
CYS
F
107
32.903
−16.477
−18.554
1.00
145.11
MOL1
C


ATOM
4123
O
CYS
F
107
32.017
−16.507
−19.409
1.00
142.60
MOL1
O


ATOM
4124
CB
CYS
F
107
32.123
−14.801
−16.851
1.00
155.97
MOL1
C


ATOM
4125
SG
CYS
F
107
31.605
−14.369
−15.144
1.00
165.92
MOL1
S


ATOM
4126
N
SER
F
108
34.191
−16.651
−18.836
1.00
143.69
MOL1
N


ATOM
4127
CA
SER
F
108
34.660
−16.887
−20.201
1.00
144.58
MOL1
C


ATOM
4128
CB
SER
F
108
36.080
−16.327
−20.360
1.00
145.52
MOL1
C


ATOM
4129
OG
SER
F
108
36.549
−16.458
−21.693
1.00
144.26
MOL1
O


ATOM
4130
C
SER
F
108
34.646
−18.389
−20.532
1.00
143.38
MOL1
C


ATOM
4131
O
SER
F
108
35.564
−18.902
−21.182
1.00
143.38
MOL1
O


ATOM
4132
N
VAL
F
109
33.591
−19.078
−20.090
1.00
139.43
MOL1
N


ATOM
4133
CA
VAL
F
109
33.429
−20.521
−20.303
1.00
131.17
MOL1
C


ATOM
4134
CB
VAL
F
109
32.716
−21.171
−19.084
1.00
129.56
MOL1
C


ATOM
4135
CG1
VAL
F
109
31.765
−22.265
−19.543
1.00
127.20
MOL1
C


ATOM
4136
CG2
VAL
F
109
33.757
−21.745
−18.128
1.00
127.59
MOL1
C


ATOM
4137
C
VAL
F
109
32.691
−20.929
−21.587
1.00
126.27
MOL1
C


ATOM
4138
O
VAL
F
109
31.581
−20.465
−21.874
1.00
120.54
MOL1
O


ATOM
4139
N
SER
F
110
33.334
−21.813
−22.344
1.00
121.64
MOL1
N


ATOM
4140
CA
SER
F
110
32.800
−22.328
−23.595
1.00
117.57
MOL1
C


ATOM
4141
CB
SER
F
110
33.668
−21.847
−24.759
1.00
118.18
MOL1
C


ATOM
4142
OG
SER
F
110
35.003
−22.314
−24.627
1.00
114.40
MOL1
O


ATOM
4143
C
SER
F
110
32.812
−23.859
−23.534
1.00
115.99
MOL1
C


ATOM
4144
O
SER
F
110
33.538
−24.449
−22.724
1.00
113.41
MOL1
O


ATOM
4145
N
PHE
F
111
32.013
−24.493
−24.393
1.00
111.00
MOL1
N


ATOM
4146
CA
PHE
F
111
31.906
−25.952
−24.451
1.00
100.84
MOL1
C


ATOM
4147
CB
PHE
F
111
30.495
−26.371
−24.048
1.00
102.04
MOL1
C


ATOM
4148
CG
PHE
F
111
30.207
−26.211
−22.584
1.00
102.79
MOL1
C


ATOM
4149
CD1
PHE
F
111
28.910
−26.274
−22.112
1.00
102.51
MOL1
C


ATOM
4150
CD2
PHE
F
111
31.236
−26.050
−21.675
1.00
105.75
MOL1
C


ATOM
4151
CE1
PHE
F
111
28.643
−26.185
−20.763
1.00
104.73
MOL1
C


ATOM
4152
CE2
PHE
F
111
30.975
−25.960
−20.322
1.00
107.04
MOL1
C


ATOM
4153
CZ
PHE
F
111
29.678
−26.028
−19.866
1.00
107.03
MOL1
C


ATOM
4154
C
PHE
F
111
32.192
−26.461
−25.861
1.00
96.24
MOL1
C


ATOM
4155
O
PHE
F
111
31.634
−25.944
−26.825
1.00
97.45
MOL1
O


ATOM
4156
N
GLN
F
112
33.046
−27.474
−25.984
1.00
90.96
MOL1
N


ATOM
4157
CA
GLN
F
112
33.377
−28.027
−27.302
1.00
88.10
MOL1
C


ATOM
4158
CB
GLN
F
112
34.839
−27.707
−27.658
1.00
89.11
MOL1
C


ATOM
4159
CG
GLN
F
112
35.134
−27.663
−29.163
1.00
92.05
MOL1
C


ATOM
4160
CD
GLN
F
112
36.621
−27.503
−29.502
1.00
92.21
MOL1
C


ATOM
4161
OE1
GLN
F
112
36.976
−27.271
−30.659
1.00
96.55
MOL1
O


ATOM
4162
NE2
GLN
F
112
37.488
−27.638
−28.502
1.00
85.91
MOL1
N


ATOM
4163
C
GLN
F
112
33.155
−29.546
−27.334
1.00
85.52
MOL1
C


ATOM
4164
O
GLN
F
112
33.425
−30.241
−26.351
1.00
89.03
MOL1
O


ATOM
4165
N
LEU
F
113
32.665
−30.054
−28.463
1.00
76.08
MOL1
N


ATOM
4166
CA
LEU
F
113
32.401
−31.481
−28.616
1.00
74.73
MOL1
C


ATOM
4167
CB
LEU
F
113
31.296
−31.709
−29.646
1.00
75.29
MOL1
C


ATOM
4168
CG
LEU
F
113
29.823
−31.586
−29.268
1.00
72.94
MOL1
C


ATOM
4169
CD1
LEU
F
113
28.966
−32.072
−30.428
1.00
66.97
MOL1
C


ATOM
4170
CD2
LEU
F
113
29.547
−32.422
−28.041
1.00
74.24
MOL1
C


ATOM
4171
C
LEU
F
113
33.609
−32.289
−29.063
1.00
76.76
MOL1
C


ATOM
4172
O
LEU
F
113
34.010
−32.193
−30.214
1.00
82.45
MOL1
O


ATOM
4173
N
GLU
F
114
34.174
−33.102
−28.174
1.00
78.11
MOL1
N


ATOM
4174
CA
GLU
F
114
35.327
−33.938
−28.523
1.00
76.38
MOL1
C


ATOM
4175
CB
GLU
F
114
36.298
−34.020
−27.346
1.00
83.54
MOL1
C


ATOM
4176
CG
GLU
F
114
37.616
−34.715
−27.646
1.00
94.24
MOL1
C


ATOM
4177
CD
GLU
F
114
38.585
−34.679
−26.460
1.00
102.03
MOL1
C


ATOM
4178
OE1
GLU
F
114
39.778
−35.005
−26.660
1.00
108.49
MOL1
O


ATOM
4179
OE2
GLU
F
114
38.159
−34.334
−25.331
1.00
97.17
MOL1
O


ATOM
4180
C
GLU
F
114
34.834
−35.336
−28.891
1.00
73.99
MOL1
C


ATOM
4181
O
GLU
F
114
33.780
−35.776
−28.422
1.00
77.13
MOL1
O


ATOM
4182
N
LYS
F
115
35.600
−36.028
−29.728
1.00
67.97
MOL1
N


ATOM
4183
CA
LYS
F
115
35.245
−37.370
−30.191
1.00
64.48
MOL1
C


ATOM
4184
CB
LYS
F
115
35.253
−37.370
−31.715
1.00
58.29
MOL1
C


ATOM
4185
CG
LYS
F
115
34.541
−38.513
−32.383
1.00
67.40
MOL1
C


ATOM
4186
CD
LYS
F
115
34.404
−38.195
−33.871
1.00
76.87
MOL1
C


ATOM
4187
CE
LYS
F
115
33.755
−39.311
−34.670
1.00
82.63
MOL1
C


ATOM
4188
NZ
LYS
F
115
33.840
−39.010
−36.129
1.00
86.82
MOL1
N


ATOM
4189
C
LYS
F
115
36.253
−38.381
−29.647
1.00
62.95
MOL1
C


ATOM
4190
O
LYS
F
115
37.446
−38.279
−29.911
1.00
70.29
MOL1
O


ATOM
4191
N
VAL
F
116
35.781
−39.359
−28.886
1.00
60.57
MOL1
N


ATOM
4192
CA
VAL
F
116
36.677
−40.346
−28.291
1.00
60.31
MOL1
C


ATOM
4193
CB
VAL
F
116
36.570
−40.317
−26.760
1.00
57.13
MOL1
C


ATOM
4194
CG1
VAL
F
116
37.397
−41.430
−26.164
1.00
56.19
MOL1
C


ATOM
4195
CG2
VAL
F
116
37.027
−38.977
−26.232
1.00
57.63
MOL1
C


ATOM
4196
C
VAL
F
116
36.378
−41.767
−28.724
1.00
60.44
MOL1
C


ATOM
4197
O
VAL
F
116
35.221
−42.163
−28.767
1.00
64.04
MOL1
O


ATOM
4198
N
LEU
F
117
37.420
−42.536
−29.027
1.00
58.45
MOL1
N


ATOM
4199
CA
LEU
F
117
37.247
−43.922
−29.437
1.00
55.47
MOL1
C


ATOM
4200
CB
LEU
F
117
38.244
−44.267
−30.549
1.00
63.12
MOL1
C


ATOM
4201
CG
LEU
F
117
38.288
−45.628
−31.284
1.00
67.28
MOL1
C


ATOM
4202
CD1
LEU
F
117
39.302
−46.566
−30.620
1.00
61.33
MOL1
C


ATOM
4203
CD2
LEU
F
117
36.883
−46.240
−31.360
1.00
69.08
MOL1
C


ATOM
4204
C
LEU
F
117
37.515
−44.764
−28.210
1.00
53.29
MOL1
C


ATOM
4205
O
LEU
F
117
38.617
−44.725
−27.660
1.00
51.96
MOL1
O


ATOM
4206
N
VAL
F
118
36.515
−45.523
−27.776
1.00
49.31
MOL1
N


ATOM
4207
CA
VAL
F
118
36.689
−46.345
−26.589
1.00
48.83
MOL1
C


ATOM
4208
CB
VAL
F
118
35.680
−45.968
−25.488
1.00
46.37
MOL1
C


ATOM
4209
CG1
VAL
F
118
34.759
−44.865
−25.976
1.00
45.08
MOL1
C


ATOM
4210
CG2
VAL
F
118
34.881
−47.190
−25.089
1.00
50.73
MOL1
C


ATOM
4211
C
VAL
F
118
36.582
−47.835
−26.819
1.00
45.57
MOL1
C


ATOM
4212
O
VAL
F
118
35.818
−48.309
−27.644
1.00
44.70
MOL1
O


ATOM
4213
N
THR
F
119
37.374
−48.572
−26.068
1.00
48.59
MOL1
N


ATOM
4214
CA
THR
F
119
37.362
−50.014
−26.154
1.00
52.88
MOL1
C


ATOM
4215
CB
THR
F
119
38.759
−50.590
−25.885
1.00
59.66
MOL1
C


ATOM
4216
OG1
THR
F
119
39.762
−49.777
−26.527
1.00
56.23
MOL1
O


ATOM
4217
CG2
THR
F
119
38.832
−52.001
−26.410
1.00
59.86
MOL1
C


ATOM
4218
C
THR
F
119
36.394
−50.483
−25.072
1.00
52.98
MOL1
C


ATOM
4219
O
THR
F
119
36.707
−50.477
−23.874
1.00
58.84
MOL1
O


ATOM
4220
N
VAL
F
120
35.207
−50.875
−25.500
1.00
48.92
MOL1
N


ATOM
4221
CA
VAL
F
120
34.176
−51.315
−24.582
1.00
50.01
MOL1
C


ATOM
4222
CB
VAL
F
120
32.853
−51.393
−25.294
1.00
51.62
MOL1
C


ATOM
4223
CG1
VAL
F
120
31.758
−51.556
−24.287
1.00
63.24
MOL1
C


ATOM
4224
CG2
VAL
F
120
32.640
−50.145
−26.107
1.00
59.91
MOL1
C


ATOM
4225
C
VAL
F
120
34.444
−52.670
−23.950
1.00
50.12
MOL1
C


ATOM
4226
O
VAL
F
120
34.011
−52.946
−22.827
1.00
52.69
MOL1
O


ATOM
4227
N
GLY
F
121
35.146
−53.523
−24.681
1.00
51.02
MOL1
N


ATOM
4228
CA
GLY
F
121
35.458
−54.845
−24.170
1.00
48.28
MOL1
C


ATOM
4229
C
GLY
F
121
35.996
−55.766
−25.247
1.00
46.24
MOL1
C


ATOM
4230
O
GLY
F
121
36.242
−55.352
−26.375
1.00
48.77
MOL1
O


ATOM
4231
N
CYS
F
122
36.170
−57.033
−24.918
1.00
41.90
MOL1
N


ATOM
4232
CA
CYS
F
122
36.701
−57.955
−25.898
1.00
42.96
MOL1
C


ATOM
4233
C
CYS
F
122
35.763
−59.099
−26.193
1.00
38.05
MOL1
C


ATOM
4234
O
CYS
F
122
34.935
−59.456
−25.377
1.00
42.43
MOL1
O


ATOM
4235
CB
CYS
F
122
38.060
−58.460
−25.421
1.00
49.93
MOL1
C


ATOM
4236
SG
CYS
F
122
39.197
−57.060
−25.173
1.00
57.69
MOL1
S


ATOM
4237
N
THR
F
123
35.890
−59.653
−27.386
1.00
37.65
MOL1
N


ATOM
4238
CA
THR
F
123
35.057
−60.762
−27.828
1.00
46.81
MOL1
C


ATOM
4239
CB
THR
F
123
34.071
−60.318
−28.953
1.00
46.83
MOL1
C


ATOM
4240
OG1
THR
F
123
33.219
−61.409
−29.343
1.00
42.75
MOL1
O


ATOM
4241
CG2
THR
F
123
34.846
−59.884
−30.167
1.00
44.62
MOL1
C


ATOM
4242
C
THR
F
123
35.998
−61.802
−28.416
1.00
49.43
MOL1
C


ATOM
4243
O
THR
F
123
36.977
−61.451
−29.054
1.00
44.66
MOL1
O


ATOM
4244
N
CYS
F
124
35.708
−63.081
−28.215
1.00
56.46
MOL1
N


ATOM
4245
CA
CYS
F
124
36.570
−64.114
−28.772
1.00
62.94
MOL1
C


ATOM
4246
C
CYS
F
124
36.189
−64.448
−30.209
1.00
63.67
MOL1
C


ATOM
4247
O
CYS
F
124
35.094
−64.939
−30.473
1.00
65.06
MOL1
O


ATOM
4248
CB
CYS
F
124
36.513
−65.393
−27.938
1.00
73.40
MOL1
C


ATOM
4249
SG
CYS
F
124
37.416
−66.770
−28.722
1.00
83.45
MOL1
S


ATOM
4250
N
VAL
F
125
37.103
−64.194
−31.139
1.00
64.45
MOL1
N


ATOM
4251
CA
VAL
F
125
36.833
−64.470
−32.544
1.00
61.66
MOL1
C


ATOM
4252
CB
VAL
F
125
36.962
−63.201
−33.401
1.00
63.16
MOL1
C


ATOM
4253
CG1
VAL
F
125
36.531
−61.994
−32.605
1.00
62.70
MOL1
C


ATOM
4254
CG2
VAL
F
125
38.389
−63.041
−33.878
1.00
68.18
MOL1
C


ATOM
4255
C
VAL
F
125
37.775
−65.508
−33.130
1.00
60.75
MOL1
C


ATOM
4256
O
VAL
F
125
38.869
−65.755
−32.609
1.00
58.76
MOL1
O


ATOM
4257
N
THR
F
126
37.336
−66.107
−34.229
1.00
58.58
MOL1
N


ATOM
4258
CA
THR
F
126
38.119
−67.110
−34.924
1.00
63.13
MOL1
C


ATOM
4259
CB
THR
F
126
37.274
−68.320
−35.334
1.00
67.09
MOL1
C


ATOM
4260
OG1
THR
F
126
38.052
−69.165
−36.192
1.00
78.72
MOL1
O


ATOM
4261
CG2
THR
F
126
36.022
−67.878
−36.079
1.00
67.81
MOL1
C


ATOM
4262
C
THR
F
126
38.666
−66.472
−36.181
1.00
62.28
MOL1
C


ATOM
4263
O
THR
F
126
37.917
−65.950
−36.991
1.00
62.89
MOL1
O


ATOM
4264
N
PRO
F
127
39.989
−66.507
−36.362
1.00
64.71
MOL1
N


ATOM
4265
CD
PRO
F
127
40.989
−67.318
−35.652
1.00
69.31
MOL1
C


ATOM
4266
CA
PRO
F
127
40.578
−65.904
−37.551
1.00
65.15
MOL1
C


ATOM
4267
CB
PRO
F
127
42.042
−66.317
−37.461
1.00
64.98
MOL1
C


ATOM
4268
CG
PRO
F
127
41.971
−67.618
−36.755
1.00
68.75
MOL1
C


ATOM
4269
C
PRO
F
127
39.916
−66.437
−38.785
1.00
66.45
MOL1
C


ATOM
4270
O
PRO
F
127
39.351
−67.526
−38.764
1.00
66.09
MOL1
O


ATOM
4271
N
VAL
F
128
39.969
−65.651
−39.850
1.00
70.08
MOL1
N


ATOM
4272
CA
VAL
F
128
39.386
−66.046
−41.115
1.00
80.54
MOL1
C


ATOM
4273
CB
VAL
F
128
39.215
−64.804
−42.016
1.00
78.41
MOL1
C


ATOM
4274
CG1
VAL
F
128
40.414
−63.935
−41.878
1.00
82.53
MOL1
C


ATOM
4275
CG2
VAL
F
128
39.024
−65.195
−43.470
1.00
78.29
MOL1
C


ATOM
4276
C
VAL
F
128
40.340
−67.060
−41.740
1.00
89.03
MOL1
C


ATOM
4277
O
VAL
F
128
41.331
−66.690
−42.361
1.00
95.20
MOL1
O


ATOM
4278
N
ILE
F
129
40.056
−68.345
−41.553
1.00
98.16
MOL1
N


ATOM
4279
CA
ILE
F
129
40.912
−69.395
−42.102
1.00
107.61
MOL1
C


ATOM
4280
CB
ILE
F
129
40.760
−70.716
−41.310
1.00
112.00
MOL1
C


ATOM
4281
CG2
ILE
F
129
41.726
−71.764
−41.847
1.00
107.86
MOL1
C


ATOM
4282
CG1
ILE
F
129
41.038
−70.468
−39.822
1.00
121.08
MOL1
C


ATOM
4283
CD1
ILE
F
129
40.925
−71.714
−38.933
1.00
126.52
MOL1
C


ATOM
4284
C
ILE
F
129
40.580
−69.666
−43.567
1.00
112.94
MOL1
C


ATOM
4285
O
ILE
F
129
41.411
−70.172
−44.314
1.00
113.20
MOL1
O


ATOM
4286
N
HIS
F
130
39.356
−69.328
−43.961
1.00
121.19
MOL1
N


ATOM
4287
CA
HIS
F
130
38.863
−69.516
−45.329
1.00
127.35
MOL1
C


ATOM
4288
CB
HIS
F
130
37.560
−68.713
−45.485
1.00
130.61
MOL1
C


ATOM
4289
CG
HIS
F
130
36.861
−68.454
−44.181
1.00
134.06
MOL1
C


ATOM
4290
CD2
HIS
F
130
36.356
−67.315
−43.648
1.00
135.37
MOL1
C


ATOM
4291
ND1
HIS
F
130
36.673
−69.435
−43.229
1.00
135.79
MOL1
N


ATOM
4292
CE1
HIS
F
130
36.090
−68.911
−42.165
1.00
135.80
MOL1
C


ATOM
4293
NE2
HIS
F
130
35.888
−67.625
−42.392
1.00
135.87
MOL1
N


ATOM
4294
C
HIS
F
130
39.913
−69.107
−46.383
1.00
128.31
MOL1
C


ATOM
4295
O
HIS
F
130
39.855
−68.006
−46.948
1.00
121.52
MOL1
O


ATOM
4296
N
HIS
F
131
40.850
−70.030
−46.629
1.00
133.20
MOL1
N


ATOM
4297
CA
HIS
F
131
41.987
−69.884
−47.554
1.00
140.61
MOL1
C


ATOM
4298
CB
HIS
F
131
41.730
−70.652
−48.864
1.00
144.36
MOL1
C


ATOM
4299
CG
HIS
F
131
42.975
−70.917
−49.663
1.00
147.92
MOL1
C


ATOM
4300
CD2
HIS
F
131
43.462
−72.061
−50.203
1.00
148.07
MOL1
C


ATOM
4301
ND1
HIS
F
131
43.881
−69.929
−49.987
1.00
148.71
MOL1
N


ATOM
4302
CE1
HIS
F
131
44.871
−70.451
−50.689
1.00
148.41
MOL1
C


ATOM
4303
NE2
HIS
F
131
44.641
−71.744
−50.835
1.00
147.74
MOL1
N


ATOM
4304
C
HIS
F
131
42.393
−68.440
−47.879
1.00
141.82
MOL1
C


ATOM
4305
O
HIS
F
131
43.448
−67.961
−47.439
1.00
140.46
MOL1
O


ATOM
4306
N
VAL
F
132
41.557
−67.770
−48.668
1.00
141.67
MOL1
N


ATOM
4307
CA
VAL
F
132
41.771
−66.384
−49.077
1.00
139.40
MOL1
C


ATOM
4308
CB
VAL
F
132
42.654
−66.291
−50.359
1.00
137.24
MOL1
C


ATOM
4309
CG1
VAL
F
132
42.877
−64.827
−50.736
1.00
135.57
MOL1
C


ATOM
4310
CG2
VAL
F
132
43.990
−66.999
−50.140
1.00
131.43
MOL1
C


ATOM
4311
C
VAL
F
132
40.387
−65.818
−49.391
1.00
140.29
MOL1
C


ATOM
4312
O
VAL
F
132
39.658
−65.379
−48.497
1.00
137.38
MOL1
O


ATOM
4313
N
GLN
F
133
40.035
−65.856
−50.673
1.00
142.86
MOL1
N


ATOM
4314
CA
GLN
F
133
38.746
−65.377
−51.162
1.00
143.14
MOL1
C


ATOM
4315
CB
GLN
F
133
38.770
−63.848
−51.309
1.00
143.32
MOL1
C


ATOM
4316
CG
GLN
F
133
37.404
−63.157
−51.215
1.00
142.55
MOL1
C


ATOM
4317
CD
GLN
F
133
36.460
−63.506
−52.361
1.00
143.56
MOL1
C


ATOM
4318
OE1
GLN
F
133
36.766
−63.274
−53.536
1.00
141.91
MOL1
O


ATOM
4319
NE2
GLN
F
133
35.299
−64.059
−52.019
1.00
141.58
MOL1
N


ATOM
4320
C
GLN
F
133
38.518
−66.045
−52.525
1.00
143.02
MOL1
C


ATOM
4321
O
GLN
F
133
37.554
−66.833
−52.645
1.00
141.78
MOL1
O


ATOM
4322
OXT
GLN
F
133
39.323
−65.789
−53.451
1.00
142.78
MOL1
O


ATOM
4323
CB
ALA
C
1
−4.305
−58.626
−73.057
1.00
101.99
MOL2
C


ATOM
4324
C
ALA
C
1
−3.330
−57.854
−70.875
1.00
96.91
MOL2
C


ATOM
4325
O
ALA
C
1
−3.606
−57.740
−69.680
1.00
100.25
MOL2
O


ATOM
4326
N
ALA
C
1
−4.184
−56.198
−72.502
1.00
100.33
MOL2
N


ATOM
4327
CA
ALA
C
1
−4.380
−57.566
−71.940
1.00
99.91
MOL2
C


ATOM
4328
N
ILE
C
2
−2.129
−58.220
−71.315
1.00
89.04
MOL2
N


ATOM
4329
CA
ILE
C
2
−1.038
−58.535
−70.405
1.00
80.58
MOL2
C


ATOM
4330
CB
ILE
C
2
0.301
−58.522
−71.130
1.00
81.06
MOL2
C


ATOM
4331
CG2
ILE
C
2
1.248
−59.482
−70.461
1.00
83.33
MOL2
C


ATOM
4332
CG1
ILE
C
2
0.122
−58.988
−72.569
1.00
84.56
MOL2
C


ATOM
4333
CD1
ILE
C
2
−0.287
−60.430
−72.679
1.00
91.18
MOL2
C


ATOM
4334
C
ILE
C
2
−0.999
−57.491
−69.307
1.00
77.29
MOL2
C


ATOM
4335
O
ILE
C
2
−0.803
−56.316
−69.581
1.00
73.54
MOL2
O


ATOM
4336
N
GLN
C
3
−1.181
−57.929
−68.066
1.00
76.96
MOL2
N


ATOM
4337
CA
GLN
C
3
−1.199
−57.039
−66.911
1.00
79.39
MOL2
C


ATOM
4338
CB
GLN
C
3
−2.445
−57.357
−66.071
1.00
86.34
MOL2
C


ATOM
4339
CG
GLN
C
3
−2.691
−56.471
−64.849
1.00
99.34
MOL2
C


ATOM
4340
CD
GLN
C
3
−3.626
−55.296
−65.133
1.00
110.28
MOL2
C


ATOM
4341
OE1
GLN
C
3
−4.048
−54.590
−64.210
1.00
112.13
MOL2
O


ATOM
4342
NE2
GLN
C
3
−3.953
−55.083
−66.411
1.00
111.21
MOL2
N


ATOM
4343
C
GLN
C
3
0.067
−57.203
−66.063
1.00
78.09
MOL2
C


ATOM
4344
O
GLN
C
3
0.296
−58.261
−65.481
1.00
79.09
MOL2
O


ATOM
4345
N
LEU
C
4
0.882
−56.155
−65.991
1.00
75.88
MOL2
N


ATOM
4346
CA
LEU
C
4
2.117
−56.200
−65.216
1.00
72.85
MOL2
C


ATOM
4347
CB
LEU
C
4
3.166
−55.282
−65.836
1.00
74.18
MOL2
C


ATOM
4348
CG
LEU
C
4
3.469
−55.485
−67.321
1.00
78.14
MOL2
C


ATOM
4349
CD1
LEU
C
4
4.755
−54.744
−67.666
1.00
82.52
MOL2
C


ATOM
4350
CD2
LEU
C
4
3.609
−56.960
−67.633
1.00
71.94
MOL2
C


ATOM
4351
C
LEU
C
4
1.864
−55.772
−63.780
1.00
71.99
MOL2
C


ATOM
4352
O
LEU
C
4
1.257
−54.734
−63.532
1.00
71.82
MOL2
O


ATOM
4353
N
THR
C
5
2.358
−56.563
−62.835
1.00
71.36
MOL2
N


ATOM
4354
CA
THR
C
5
2.151
−56.267
−61.429
1.00
71.70
MOL2
C


ATOM
4355
CB
THR
C
5
1.342
−57.383
−60.759
1.00
79.04
MOL2
C


ATOM
4356
OG1
THR
C
5
0.251
−57.766
−61.612
1.00
80.97
MOL2
O


ATOM
4357
CG2
THR
C
5
0.810
−56.912
−59.406
1.00
77.86
MOL2
C


ATOM
4358
C
THR
C
5
3.452
−56.113
−60.662
1.00
70.09
MOL2
C


ATOM
4359
O
THR
C
5
4.030
−57.097
−60.187
1.00
70.80
MOL2
O


ATOM
4360
N
GLN
C
6
3.912
−54.876
−60.536
1.00
67.35
MOL2
N


ATOM
4361
CA
GLN
C
6
5.143
−54.610
−59.807
1.00
67.62
MOL2
C


ATOM
4362
CB
GLN
C
6
5.601
−53.173
−60.032
1.00
65.55
MOL2
C


ATOM
4363
CG
GLN
C
6
6.368
−52.978
−61.323
1.00
67.75
MOL2
C


ATOM
4364
CD
GLN
C
6
6.728
−51.530
−61.577
1.00
66.51
MOL2
C


ATOM
4365
OE1
GLN
C
6
7.145
−50.820
−60.667
1.00
62.41
MOL2
O


ATOM
4366
NE2
GLN
C
6
6.583
−51.089
−62.823
1.00
64.70
MOL2
N


ATOM
4367
C
GLN
C
6
4.902
−54.839
−58.333
1.00
69.96
MOL2
C


ATOM
4368
O
GLN
C
6
3.760
−54.857
−57.889
1.00
74.54
MOL2
O


ATOM
4369
N
SER
C
7
5.980
−54.999
−57.573
1.00
71.78
MOL2
N


ATOM
4370
CA
SER
C
7
5.879
−55.249
−56.137
1.00
72.15
MOL2
C


ATOM
4371
CB
SER
C
7
5.253
−56.625
−55.895
1.00
80.15
MOL2
C


ATOM
4372
OG
SER
C
7
5.884
−57.629
−56.687
1.00
87.70
MOL2
O


ATOM
4373
C
SER
C
7
7.253
−55.205
−55.491
1.00
68.10
MOL2
C


ATOM
4374
O
SER
C
7
8.187
−55.837
−55.963
1.00
72.62
MOL2
O


ATOM
4375
N
PRO
C
8
7.395
−54.462
−54.393
1.00
65.56
MOL2
N


ATOM
4376
CD
PRO
C
8
8.704
−54.188
−53.788
1.00
66.95
MOL2
C


ATOM
4377
CA
PRO
C
8
6.363
−53.673
−53.728
1.00
69.73
MOL2
C


ATOM
4378
CB
PRO
C
8
7.080
−53.162
−52.494
1.00
67.77
MOL2
C


ATOM
4379
CG
PRO
C
8
8.434
−52.910
−53.015
1.00
63.16
MOL2
C


ATOM
4380
C
PRO
C
8
5.917
−52.528
−54.606
1.00
71.09
MOL2
C


ATOM
4381
O
PRO
C
8
6.499
−52.286
−55.653
1.00
76.45
MOL2
O


ATOM
4382
N
SER
C
9
4.887
−51.821
−54.171
1.00
70.48
MOL2
N


ATOM
4383
CA
SER
C
9
4.393
−50.692
−54.924
1.00
66.56
MOL2
C


ATOM
4384
CB
SER
C
9
2.900
−50.513
−54.663
1.00
68.50
MOL2
C


ATOM
4385
OG
SER
C
9
2.302
−49.695
−55.649
1.00
74.33
MOL2
O


ATOM
4386
C
SER
C
9
5.187
−49.507
−54.396
1.00
65.19
MOL2
C


ATOM
4387
O
SER
C
9
5.474
−48.552
−55.107
1.00
66.87
MOL2
O


ATOM
4388
N
SER
C
10
5.548
−49.584
−53.127
1.00
63.71
MOL2
N


ATOM
4389
CA
SER
C
10
6.332
−48.532
−52.511
1.00
63.51
MOL2
C


ATOM
4390
CB
SER
C
10
5.446
−47.646
−51.635
1.00
65.35
MOL2
C


ATOM
4391
OG
SER
C
10
6.177
−46.533
−51.147
1.00
70.90
MOL2
O


ATOM
4392
C
SER
C
10
7.383
−49.243
−51.671
1.00
61.83
MOL2
C


ATOM
4393
O
SER
C
10
7.347
−50.469
−51.541
1.00
66.16
MOL2
O


ATOM
4394
N
LEU
C
11
8.326
−48.495
−51.113
1.00
52.84
MOL2
N


ATOM
4395
CA
LEU
C
11
9.349
−49.124
−50.298
1.00
51.69
MOL2
C


ATOM
4396
CB
LEU
C
11
10.048
−50.220
−51.099
1.00
39.27
MOL2
C


ATOM
4397
CG
LEU
C
11
11.390
−49.797
−51.673
1.00
40.68
MOL2
C


ATOM
4398
CD1
LEU
C
11
12.440
−49.932
−50.588
1.00
43.91
MOL2
C


ATOM
4399
CD2
LEU
C
11
11.747
−50.648
−52.865
1.00
31.09
MOL2
C


ATOM
4400
C
LEU
C
11
10.358
−48.085
−49.854
1.00
54.60
MOL2
C


ATOM
4401
O
LEU
C
11
10.791
−47.266
−50.656
1.00
52.95
MOL2
O


ATOM
4402
N
SER
C
12
10.726
−48.112
−48.576
1.00
62.06
MOL2
N


ATOM
4403
CA
SER
C
12
11.705
−47.153
−48.056
1.00
67.26
MOL2
C


ATOM
4404
CB
SER
C
12
11.246
−46.553
−46.718
1.00
73.13
MOL2
C


ATOM
4405
OG
SER
C
12
11.103
−47.546
−45.707
1.00
91.16
MOL2
O


ATOM
4406
C
SER
C
12
13.040
−47.856
−47.879
1.00
64.64
MOL2
C


ATOM
4407
O
SER
C
12
13.093
−49.007
−47.428
1.00
73.92
MOL2
O


ATOM
4408
N
ALA
C
13
14.112
−47.160
−48.239
1.00
52.40
MOL2
N


ATOM
4409
CA
ALA
C
13
15.445
−47.715
−48.157
1.00
48.17
MOL2
C


ATOM
4410
CB
ALA
C
13
15.804
−48.349
−49.452
1.00
46.27
MOL2
C


ATOM
4411
C
ALA
C
13
16.430
−46.623
−47.855
1.00
53.29
MOL2
C


ATOM
4412
O
ALA
C
13
16.083
−45.442
−47.903
1.00
51.42
MOL2
O


ATOM
4413
N
SER
C
14
17.666
−47.023
−47.549
1.00
59.92
MOL2
N


ATOM
4414
CA
SER
C
14
18.748
−46.082
−47.236
1.00
62.56
MOL2
C


ATOM
4415
CB
SER
C
14
19.305
−46.332
−45.835
1.00
65.99
MOL2
C


ATOM
4416
OG
SER
C
14
18.563
−45.634
−44.850
1.00
77.69
MOL2
O


ATOM
4417
C
SER
C
14
19.879
−46.222
−48.229
1.00
60.39
MOL2
C


ATOM
4418
O
SER
C
14
20.060
−47.286
−48.822
1.00
64.34
MOL2
O


ATOM
4419
N
VAL
C
15
20.645
−45.154
−48.410
1.00
56.47
MOL2
N


ATOM
4420
CA
VAL
C
15
21.752
−45.215
−49.346
1.00
55.09
MOL2
C


ATOM
4421
CB
VAL
C
15
22.651
−44.006
−49.225
1.00
55.42
MOL2
C


ATOM
4422
CG1
VAL
C
15
23.957
−44.274
−49.958
1.00
52.75
MOL2
C


ATOM
4423
CG2
VAL
C
15
21.951
−42.794
−49.795
1.00
50.64
MOL2
C


ATOM
4424
C
VAL
C
15
22.595
−46.456
−49.099
1.00
56.26
MOL2
C


ATOM
4425
O
VAL
C
15
22.945
−46.773
−47.959
1.00
60.65
MOL2
O


ATOM
4426
N
GLY
C
16
22.911
−47.165
−50.172
1.00
51.10
MOL2
N


ATOM
4427
CA
GLY
C
16
23.709
−48.361
−50.034
1.00
52.45
MOL2
C


ATOM
4428
C
GLY
C
16
22.879
−49.619
−50.137
1.00
54.77
MOL2
C


ATOM
4429
O
GLY
C
16
23.300
−50.604
−50.759
1.00
58.98
MOL2
O


ATOM
4430
N
ASP
C
17
21.696
−49.598
−49.537
1.00
52.74
MOL2
N


ATOM
4431
CA
ASP
C
17
20.826
−50.772
−49.574
1.00
60.34
MOL2
C


ATOM
4432
CB
ASP
C
17
19.399
−50.404
−49.122
1.00
67.58
MOL2
C


ATOM
4433
CG
ASP
C
17
19.315
−50.057
−47.638
1.00
74.44
MOL2
C


ATOM
4434
OD1
ASP
C
17
18.195
−49.783
−47.153
1.00
76.43
MOL2
O


ATOM
4435
OD2
ASP
C
17
20.364
−50.056
−46.954
1.00
83.78
MOL2
O


ATOM
4436
C
ASP
C
17
20.779
−51.431
−50.962
1.00
52.46
MOL2
C


ATOM
4437
O
ASP
C
17
21.097
−50.817
−51.965
1.00
49.08
MOL2
O


ATOM
4438
N
ARG
C
18
20.392
−52.694
−51.000
1.00
50.22
MOL2
N


ATOM
4439
CA
ARG
C
18
20.294
−53.411
−52.251
1.00
56.08
MOL2
C


ATOM
4440
CB
ARG
C
18
21.000
−54.765
−52.127
1.00
66.53
MOL2
C


ATOM
4441
CG
ARG
C
18
21.162
−55.544
−53.416
1.00
69.54
MOL2
C


ATOM
4442
CD
ARG
C
18
22.473
−56.333
−53.410
1.00
76.41
MOL2
C


ATOM
4443
NE
ARG
C
18
22.607
−57.130
−54.621
1.00
83.22
MOL2
N


ATOM
4444
CZ
ARG
C
18
21.768
−58.106
−54.964
1.00
90.00
MOL2
C


ATOM
4445
NH1
ARG
C
18
20.736
−58.411
−54.178
1.00
91.48
MOL2
N


ATOM
4446
NH2
ARG
C
18
21.947
−58.762
−56.105
1.00
88.15
MOL2
N


ATOM
4447
C
ARG
C
18
18.809
−53.590
−52.541
1.00
59.14
MOL2
C


ATOM
4448
O
ARG
C
18
18.207
−54.619
−52.216
1.00
66.55
MOL2
O


ATOM
4449
N
VAL
C
19
18.227
−52.560
−53.143
1.00
53.91
MOL2
N


ATOM
4450
CA
VAL
C
19
16.814
−52.531
−53.500
1.00
48.82
MOL2
C


ATOM
4451
CB
VAL
C
19
16.430
−51.116
−54.008
1.00
49.90
MOL2
C


ATOM
4452
CG1
VAL
C
19
14.942
−50.897
−53.896
1.00
55.27
MOL2
C


ATOM
4453
CG2
VAL
C
19
17.165
−50.067
−53.220
1.00
44.57
MOL2
C


ATOM
4454
C
VAL
C
19
16.490
−53.548
−54.599
1.00
46.40
MOL2
C


ATOM
4455
O
VAL
C
19
17.300
−53.790
−55.485
1.00
41.70
MOL2
O


ATOM
4456
N
THR
C
20
15.303
−54.138
−54.548
1.00
48.52
MOL2
N


ATOM
4457
CA
THR
C
20
14.909
−55.111
−55.560
1.00
52.40
MOL2
C


ATOM
4458
CB
THR
C
20
15.237
−56.558
−55.100
1.00
56.67
MOL2
C


ATOM
4459
OG1
THR
C
20
16.636
−56.668
−54.828
1.00
62.88
MOL2
O


ATOM
4460
CG2
THR
C
20
14.882
−57.565
−56.176
1.00
59.26
MOL2
C


ATOM
4461
C
THR
C
20
13.411
−54.992
−55.855
1.00
55.76
MOL2
C


ATOM
4462
O
THR
C
20
12.566
−55.195
−54.969
1.00
60.73
MOL2
O


ATOM
4463
N
ILE
C
21
13.102
−54.667
−57.109
1.00
49.17
MOL2
N


ATOM
4464
CA
ILE
C
21
11.736
−54.490
−57.585
1.00
44.82
MOL2
C


ATOM
4465
CB
ILE
C
21
11.641
−53.267
−58.516
1.00
42.78
MOL2
C


ATOM
4466
CG2
ILE
C
21
10.197
−52.894
−58.750
1.00
42.89
MOL2
C


ATOM
4467
CG1
ILE
C
21
12.416
−52.086
−57.923
1.00
40.47
MOL2
C


ATOM
4468
CD1
ILE
C
21
11.928
−51.621
−56.613
1.00
29.96
MOL2
C


ATOM
4469
C
ILE
C
21
11.384
−55.704
−58.414
1.00
46.51
MOL2
C


ATOM
4470
O
ILE
C
21
12.241
−56.245
−59.086
1.00
49.54
MOL2
O


ATOM
4471
N
THR
C
22
10.128
−56.121
−58.389
1.00
52.70
MOL2
N


ATOM
4472
CA
THR
C
22
9.705
−57.276
−59.164
1.00
56.36
MOL2
C


ATOM
4473
CB
THR
C
22
9.221
−58.386
−58.250
1.00
57.04
MOL2
C


ATOM
4474
OG1
THR
C
22
10.014
−58.400
−57.054
1.00
57.35
MOL2
O


ATOM
4475
CG2
THR
C
22
9.335
−59.722
−58.962
1.00
61.74
MOL2
C


ATOM
4476
C
THR
C
22
8.558
−56.868
−60.070
1.00
62.56
MOL2
C


ATOM
4477
O
THR
C
22
7.879
−55.877
−59.806
1.00
67.37
MOL2
O


ATOM
4478
N
CYS
C
23
8.324
−57.632
−61.129
1.00
64.49
MOL2
N


ATOM
4479
CA
CYS
C
23
7.249
−57.295
−62.046
1.00
69.63
MOL2
C


ATOM
4480
C
CYS
C
23
6.683
−58.549
−62.694
1.00
74.35
MOL2
C


ATOM
4481
O
CYS
C
23
7.028
−58.879
−63.825
1.00
79.68
MOL2
O


ATOM
4482
CB
CYS
C
23
7.790
−56.321
−63.097
1.00
66.66
MOL2
C


ATOM
4483
SG
CYS
C
23
6.755
−55.921
−64.548
1.00
76.32
MOL2
S


ATOM
4484
N
ARG
C
24
5.818
−59.252
−61.965
1.00
78.76
MOL2
N


ATOM
4485
CA
ARG
C
24
5.189
−60.471
−62.476
1.00
84.17
MOL2
C


ATOM
4486
CB
ARG
C
24
4.489
−61.236
−61.345
1.00
94.07
MOL2
C


ATOM
4487
CG
ARG
C
24
5.418
−62.065
−60.462
1.00
108.22
MOL2
C


ATOM
4488
CD
ARG
C
24
4.643
−62.860
−59.410
1.00
120.10
MOL2
C


ATOM
4489
NE
ARG
C
24
3.463
−63.534
−59.964
1.00
130.87
MOL2
N


ATOM
4490
CZ
ARG
C
24
2.741
−64.452
−59.318
1.00
135.36
MOL2
C


ATOM
4491
NH1
ARG
C
24
3.071
−64.828
−58.086
1.00
135.50
MOL2
N


ATOM
4492
NH2
ARG
C
24
1.673
−64.987
−59.900
1.00
136.70
MOL2
N


ATOM
4493
C
ARG
C
24
4.162
−60.075
−63.520
1.00
82.37
MOL2
C


ATOM
4494
O
ARG
C
24
3.525
−59.035
−63.382
1.00
84.85
MOL2
O


ATOM
4495
N
ALA
C
25
3.984
−60.894
−64.554
1.00
80.09
MOL2
N


ATOM
4496
CA
ALA
C
25
3.022
−60.558
−65.597
1.00
81.28
MOL2
C


ATOM
4497
CB
ALA
C
25
3.750
−60.042
−66.804
1.00
74.63
MOL2
C


ATOM
4498
C
ALA
C
25
2.054
−61.652
−66.029
1.00
85.27
MOL2
C


ATOM
4499
O
ALA
C
25
2.420
−62.815
−66.178
1.00
84.26
MOL2
O


ATOM
4500
N
ASP
C
26
0.809
−61.232
−66.234
1.00
93.13
MOL2
N


ATOM
4501
CA
ASP
C
26
−0.307
−62.065
−66.688
1.00
98.83
MOL2
C


ATOM
4502
CB
ASP
C
26
−1.270
−61.153
−67.466
1.00
106.45
MOL2
C


ATOM
4503
CG
ASP
C
26
−2.373
−61.908
−68.180
1.00
115.95
MOL2
C


ATOM
4504
OD1
ASP
C
26
−2.074
−62.825
−68.981
1.00
117.86
MOL2
O


ATOM
4505
OD2
ASP
C
26
−3.552
−61.559
−67.950
1.00
122.70
MOL2
O


ATOM
4506
C
ASP
C
26
0.130
−63.258
−67.555
1.00
98.49
MOL2
C


ATOM
4507
O
ASP
C
26
0.131
−64.404
−67.099
1.00
93.41
MOL2
O


ATOM
4508
N
GLU
C
27
0.478
−62.975
−68.810
1.00
100.98
MOL2
N


ATOM
4509
CA
GLU
C
27
0.932
−63.998
−69.754
1.00
102.53
MOL2
C


ATOM
4510
CB
GLU
C
27
0.396
−63.738
−71.170
1.00
109.48
MOL2
C


ATOM
4511
CG
GLU
C
27
−1.094
−63.983
−71.392
1.00
119.13
MOL2
C


ATOM
4512
CD
GLU
C
27
−1.483
−63.922
−72.876
1.00
125.04
MOL2
C


ATOM
4513
OE1
GLU
C
27
−2.697
−63.949
−73.180
1.00
127.79
MOL2
O


ATOM
4514
OE2
GLU
C
27
−0.575
−63.855
−73.739
1.00
124.79
MOL2
O


ATOM
4515
C
GLU
C
27
2.459
−64.012
−69.822
1.00
99.74
MOL2
C


ATOM
4516
O
GLU
C
27
3.138
−63.575
−68.893
1.00
98.01
MOL2
O


ATOM
4517
N
SER
C
28
2.989
−64.510
−70.935
1.00
98.17
MOL2
N


ATOM
4518
CA
SER
C
28
4.435
−64.589
−71.142
1.00
96.89
MOL2
C


ATOM
4519
CB
SER
C
28
4.820
−65.977
−71.685
1.00
101.41
MOL2
C


ATOM
4520
OG
SER
C
28
6.224
−66.108
−71.880
1.00
99.08
MOL2
O


ATOM
4521
C
SER
C
28
4.905
−63.509
−72.114
1.00
92.54
MOL2
C


ATOM
4522
O
SER
C
28
4.276
−63.285
−73.147
1.00
94.50
MOL2
O


ATOM
4523
N
VAL
C
29
6.017
−62.853
−71.787
1.00
85.57
MOL2
N


ATOM
4524
CA
VAL
C
29
6.566
−61.793
−72.633
1.00
78.41
MOL2
C


ATOM
4525
CB
VAL
C
29
6.654
−60.478
−71.864
1.00
74.78
MOL2
C


ATOM
4526
CG1
VAL
C
29
5.342
−59.741
−71.938
1.00
74.79
MOL2
C


ATOM
4527
CG2
VAL
C
29
6.994
−60.764
−70.423
1.00
74.97
MOL2
C


ATOM
4528
C
VAL
C
29
7.947
−62.083
−73.208
1.00
74.63
MOL2
C


ATOM
4529
O
VAL
C
29
8.374
−61.415
−74.144
1.00
74.56
MOL2
O


ATOM
4530
N
THR
C
30
8.638
−63.066
−72.640
1.00
69.19
MOL2
N


ATOM
4531
CA
THR
C
30
9.972
−63.457
−73.093
1.00
65.75
MOL2
C


ATOM
4532
CB
THR
C
30
9.957
−64.420
−74.307
1.00
66.75
MOL2
C


ATOM
4533
OG1
THR
C
30
9.099
−63.893
−75.332
1.00
50.46
MOL2
O


ATOM
4534
CG2
THR
C
30
9.543
−65.835
−73.885
1.00
73.47
MOL2
C


ATOM
4535
C
THR
C
30
10.876
−62.338
−73.525
1.00
64.89
MOL2
C


ATOM
4536
O
THR
C
30
10.728
−61.798
−74.614
1.00
71.06
MOL2
O


ATOM
4537
N
THR
C
31
11.831
−62.005
−72.681
1.00
59.01
MOL2
N


ATOM
4538
CA
THR
C
31
12.806
−60.981
−73.012
1.00
56.53
MOL2
C


ATOM
4539
CB
THR
C
31
13.746
−61.468
−74.127
1.00
53.95
MOL2
C


ATOM
4540
OG1
THR
C
31
13.024
−61.599
−75.354
1.00
46.97
MOL2
O


ATOM
4541
CG2
THR
C
31
14.329
−62.811
−73.768
1.00
62.15
MOL2
C


ATOM
4542
C
THR
C
31
12.302
−59.604
−73.407
1.00
55.57
MOL2
C


ATOM
4543
O
THR
C
31
13.057
−58.634
−73.336
1.00
60.99
MOL2
O


ATOM
4544
N
LEU
C
32
11.048
−59.491
−73.824
1.00
50.80
MOL2
N


ATOM
4545
CA
LEU
C
32
10.557
−58.186
−74.212
1.00
49.27
MOL2
C


ATOM
4546
CB
LEU
C
32
9.485
−58.314
−75.279
1.00
53.74
MOL2
C


ATOM
4547
CG
LEU
C
32
10.003
−58.972
−76.558
1.00
61.51
MOL2
C


ATOM
4548
CD1
LEU
C
32
9.155
−58.525
−77.738
1.00
67.47
MOL2
C


ATOM
4549
CD2
LEU
C
32
11.444
−58.577
−76.788
1.00
63.08
MOL2
C


ATOM
4550
C
LEU
C
32
10.040
−57.369
−73.044
1.00
49.73
MOL2
C


ATOM
4551
O
LEU
C
32
8.990
−56.741
−73.140
1.00
53.91
MOL2
O


ATOM
4552
N
MET
C
33
10.778
−57.389
−71.936
1.00
48.21
MOL2
N


ATOM
4553
CA
MET
C
33
10.417
−56.605
−70.753
1.00
50.67
MOL2
C


ATOM
4554
CB
MET
C
33
10.471
−57.448
−69.475
1.00
53.72
MOL2
C


ATOM
4555
CG
MET
C
33
10.063
−56.693
−68.203
1.00
63.35
MOL2
C


ATOM
4556
SD
MET
C
33
8.298
−56.232
−68.136
1.00
80.08
MOL2
S


ATOM
4557
CE
MET
C
33
7.649
−57.505
−67.077
1.00
69.12
MOL2
C


ATOM
4558
C
MET
C
33
11.442
−55.471
−70.682
1.00
47.74
MOL2
C


ATOM
4559
O
MET
C
33
12.608
−55.670
−71.009
1.00
47.46
MOL2
O


ATOM
4560
N
HIS
C
34
11.011
−54.288
−70.260
1.00
40.67
MOL2
N


ATOM
4561
CA
HIS
C
34
11.898
−53.144
−70.218
1.00
40.47
MOL2
C


ATOM
4562
CB
HIS
C
34
11.587
−52.252
−71.406
1.00
42.10
MOL2
C


ATOM
4563
CG
HIS
C
34
11.337
−53.010
−72.672
1.00
43.49
MOL2
C


ATOM
4564
CD2
HIS
C
34
10.320
−52.950
−73.561
1.00
46.48
MOL2
C


ATOM
4565
ND1
HIS
C
34
12.214
−53.955
−73.158
1.00
47.32
MOL2
N


ATOM
4566
CE1
HIS
C
34
11.751
−54.440
−74.295
1.00
48.54
MOL2
C


ATOM
4567
NE2
HIS
C
34
10.603
−53.846
−74.563
1.00
48.33
MOL2
N


ATOM
4568
C
HIS
C
34
11.686
−52.378
−68.943
1.00
42.71
MOL2
C


ATOM
4569
O
HIS
C
34
10.658
−52.557
−68.311
1.00
55.61
MOL2
O


ATOM
4570
N
TRP
C
35
12.638
−51.525
−68.563
1.00
36.83
MOL2
N


ATOM
4571
CA
TRP
C
35
12.502
−50.747
−67.333
1.00
39.88
MOL2
C


ATOM
4572
CB
TRP
C
35
13.483
−51.223
−66.255
1.00
40.79
MOL2
C


ATOM
4573
CG
TRP
C
35
13.136
−52.538
−65.657
1.00
43.11
MOL2
C


ATOM
4574
CD2
TRP
C
35
12.300
−52.765
−64.523
1.00
40.24
MOL2
C


ATOM
4575
CE2
TRP
C
35
12.155
−54.154
−64.383
1.00
42.15
MOL2
C


ATOM
4576
CE3
TRP
C
35
11.659
−51.928
−63.617
1.00
43.55
MOL2
C


ATOM
4577
CD1
TRP
C
35
13.463
−53.769
−66.141
1.00
46.19
MOL2
C


ATOM
4578
NE1
TRP
C
35
12.877
−54.746
−65.384
1.00
47.19
MOL2
N


ATOM
4579
CZ2
TRP
C
35
11.395
−54.724
−63.376
1.00
38.68
MOL2
C


ATOM
4580
CZ3
TRP
C
35
10.909
−52.496
−62.618
1.00
46.45
MOL2
C


ATOM
4581
CH2
TRP
C
35
10.782
−53.881
−62.505
1.00
42.43
MOL2
C


ATOM
4582
C
TRP
C
35
12.753
−49.277
−67.559
1.00
39.85
MOL2
C


ATOM
4583
O
TRP
C
35
13.663
−48.920
−68.283
1.00
42.09
MOL2
O


ATOM
4584
N
TYR
C
36
11.950
−48.426
−66.928
1.00
37.19
MOL2
N


ATOM
4585
CA
TYR
C
36
12.119
−46.983
−67.037
1.00
27.89
MOL2
C


ATOM
4586
CB
TYR
C
36
10.974
−46.322
−67.781
1.00
21.99
MOL2
C


ATOM
4587
CG
TYR
C
36
10.741
−46.813
−69.173
1.00
24.18
MOL2
C


ATOM
4588
CD1
TYR
C
36
11.354
−46.196
−70.255
1.00
24.27
MOL2
C


ATOM
4589
CE1
TYR
C
36
11.139
−46.651
−71.552
1.00
32.32
MOL2
C


ATOM
4590
CD2
TYR
C
36
9.903
−47.901
−69.412
1.00
23.69
MOL2
C


ATOM
4591
CE2
TYR
C
36
9.682
−48.366
−70.693
1.00
29.24
MOL2
C


ATOM
4592
CZ
TYR
C
36
10.303
−47.739
−71.763
1.00
38.05
MOL2
C


ATOM
4593
OH
TYR
C
36
10.100
−48.207
−73.047
1.00
47.12
MOL2
O


ATOM
4594
C
TYR
C
36
12.129
−46.424
−65.636
1.00
32.00
MOL2
C


ATOM
4595
O
TYR
C
36
11.612
−47.035
−64.692
1.00
37.85
MOL2
O


ATOM
4596
N
GLN
C
37
12.693
−45.236
−65.517
1.00
30.14
MOL2
N


ATOM
4597
CA
GLN
C
37
12.802
−44.566
−64.242
1.00
33.69
MOL2
C


ATOM
4598
CB
GLN
C
37
14.281
−44.370
−63.910
1.00
25.67
MOL2
C


ATOM
4599
CG
GLN
C
37
14.536
−43.723
−62.571
1.00
29.66
MOL2
C


ATOM
4600
CD
GLN
C
37
15.789
−42.877
−62.577
1.00
36.17
MOL2
C


ATOM
4601
OE1
GLN
C
37
16.014
−42.092
−63.498
1.00
42.76
MOL2
O


ATOM
4602
NE2
GLN
C
37
16.609
−43.021
−61.545
1.00
34.38
MOL2
N


ATOM
4603
C
GLN
C
37
12.146
−43.214
−64.399
1.00
38.79
MOL2
C


ATOM
4604
O
GLN
C
37
12.240
−42.619
−65.457
1.00
45.43
MOL2
O


ATOM
4605
N
GLN
C
38
11.476
−42.722
−63.364
1.00
43.55
MOL2
N


ATOM
4606
CA
GLN
C
38
10.872
−41.403
−63.458
1.00
43.76
MOL2
C


ATOM
4607
CB
GLN
C
38
9.425
−41.507
−63.883
1.00
42.79
MOL2
C


ATOM
4608
CG
GLN
C
38
8.736
−40.175
−63.802
1.00
46.09
MOL2
C


ATOM
4609
CD
GLN
C
38
7.317
−40.260
−64.245
1.00
51.40
MOL2
C


ATOM
4610
OE1
GLN
C
38
7.016
−40.096
−65.424
1.00
49.67
MOL2
O


ATOM
4611
NE2
GLN
C
38
6.421
−40.544
−63.300
1.00
57.58
MOL2
N


ATOM
4612
C
GLN
C
38
10.949
−40.638
−62.151
1.00
44.98
MOL2
C


ATOM
4613
O
GLN
C
38
10.431
−41.092
−61.135
1.00
51.29
MOL2
O


ATOM
4614
N
LYS
C
39
11.607
−39.484
−62.173
1.00
43.36
MOL2
N


ATOM
4615
CA
LYS
C
39
11.731
−38.667
−60.976
1.00
46.56
MOL2
C


ATOM
4616
CB
LYS
C
39
12.956
−37.760
−61.063
1.00
45.39
MOL2
C


ATOM
4617
CG
LYS
C
39
14.272
−38.457
−61.390
1.00
52.65
MOL2
C


ATOM
4618
CD
LYS
C
39
15.021
−38.933
−60.154
1.00
57.23
MOL2
C


ATOM
4619
CE
LYS
C
39
16.433
−39.450
−60.494
1.00
62.86
MOL2
C


ATOM
4620
NZ
LYS
C
39
17.409
−38.418
−61.000
1.00
63.36
MOL2
N


ATOM
4621
C
LYS
C
39
10.479
−37.811
−60.953
1.00
56.54
MOL2
C


ATOM
4622
O
LYS
C
39
9.767
−37.725
−61.948
1.00
60.11
MOL2
O


ATOM
4623
N
PRO
C
40
10.193
−37.159
−59.822
1.00
64.58
MOL2
N


ATOM
4624
CD
PRO
C
40
10.918
−37.199
−58.542
1.00
67.05
MOL2
C


ATOM
4625
CA
PRO
C
40
8.999
−36.314
−59.725
1.00
65.12
MOL2
C


ATOM
4626
CB
PRO
C
40
8.982
−35.905
−58.253
1.00
65.24
MOL2
C


ATOM
4627
CG
PRO
C
40
9.807
−36.975
−57.570
1.00
71.18
MOL2
C


ATOM
4628
C
PRO
C
40
9.117
−35.100
−60.637
1.00
66.71
MOL2
C


ATOM
4629
O
PRO
C
40
10.122
−34.373
−60.581
1.00
63.72
MOL2
O


ATOM
4630
N
GLY
C
41
8.107
−34.893
−61.482
1.00
65.67
MOL2
N


ATOM
4631
CA
GLY
C
41
8.118
−33.736
−62.357
1.00
69.19
MOL2
C


ATOM
4632
C
GLY
C
41
8.714
−33.932
−63.732
1.00
68.06
MOL2
C


ATOM
4633
O
GLY
C
41
8.240
−33.348
−64.704
1.00
74.22
MOL2
O


ATOM
4634
N
LYS
C
42
9.762
−34.735
−63.823
1.00
64.19
MOL2
N


ATOM
4635
CA
LYS
C
42
10.391
−34.989
−65.105
1.00
61.08
MOL2
C


ATOM
4636
CB
LYS
C
42
11.882
−35.254
−64.882
1.00
69.82
MOL2
C


ATOM
4637
CG
LYS
C
42
12.633
−34.071
−64.233
1.00
79.68
MOL2
C


ATOM
4638
CD
LYS
C
42
13.192
−33.060
−65.260
1.00
98.35
MOL2
C


ATOM
4639
CE
LYS
C
42
14.349
−33.664
−66.104
1.00
110.67
MOL2
C


ATOM
4640
NZ
LYS
C
42
14.865
−32.795
−67.225
1.00
109.90
MOL2
N


ATOM
4641
C
LYS
C
42
9.688
−36.164
−65.814
1.00
56.57
MOL2
C


ATOM
4642
O
LYS
C
42
8.760
−36.766
−65.262
1.00
54.63
MOL2
O


ATOM
4643
N
ALA
C
43
10.112
−36.483
−67.033
1.00
51.70
MOL2
N


ATOM
4644
CA
ALA
C
43
9.483
−37.561
−67.800
1.00
49.89
MOL2
C


ATOM
4645
CB
ALA
C
43
9.429
−37.170
−69.249
1.00
52.86
MOL2
C


ATOM
4646
C
ALA
C
43
10.219
−38.879
−67.655
1.00
46.72
MOL2
C


ATOM
4647
O
ALA
C
43
11.384
−38.896
−67.281
1.00
47.15
MOL2
O


ATOM
4648
N
PRO
C
44
9.558
−40.001
−67.978
1.00
44.39
MOL2
N


ATOM
4649
CD
PRO
C
44
8.268
−40.126
−68.664
1.00
45.41
MOL2
C


ATOM
4650
CA
PRO
C
44
10.202
−41.314
−67.862
1.00
44.83
MOL2
C


ATOM
4651
CB
PRO
C
44
9.251
−42.245
−68.598
1.00
45.87
MOL2
C


ATOM
4652
CG
PRO
C
44
7.938
−41.584
−68.419
1.00
52.20
MOL2
C


ATOM
4653
C
PRO
C
44
11.546
−41.275
−68.537
1.00
45.42
MOL2
C


ATOM
4654
O
PRO
C
44
11.802
−40.387
−69.348
1.00
52.33
MOL2
O


ATOM
4655
N
LYS
C
45
12.405
−42.226
−68.192
1.00
45.13
MOL2
N


ATOM
4656
CA
LYS
C
45
13.742
−42.345
−68.786
1.00
41.81
MOL2
C


ATOM
4657
CB
LYS
C
45
14.806
−41.625
−67.964
1.00
39.22
MOL2
C


ATOM
4658
CG
LYS
C
45
16.236
−42.071
−68.266
1.00
54.90
MOL2
C


ATOM
4659
CD
LYS
C
45
17.180
−41.630
−67.110
1.00
72.09
MOL2
C


ATOM
4660
CE
LYS
C
45
18.593
−42.278
−67.122
1.00
70.55
MOL2
C


ATOM
4661
NZ
LYS
C
45
19.291
−42.128
−65.784
1.00
65.65
MOL2
N


ATOM
4662
C
LYS
C
45
14.052
−43.822
−68.837
1.00
38.66
MOL2
C


ATOM
4663
O
LYS
C
45
13.894
−44.542
−67.854
1.00
45.87
MOL2
O


ATOM
4664
N
LEU
C
46
14.476
−44.286
−69.995
1.00
36.14
MOL2
N


ATOM
4665
CA
LEU
C
46
14.766
−45.698
−70.150
1.00
34.95
MOL2
C


ATOM
4666
CB
LEU
C
46
15.023
−46.025
−71.621
1.00
28.39
MOL2
C


ATOM
4667
CG
LEU
C
46
15.497
−47.425
−71.985
1.00
23.94
MOL2
C


ATOM
4668
CD1
LEU
C
46
14.636
−48.437
−71.328
1.00
28.01
MOL2
C


ATOM
4669
CD2
LEU
C
46
15.437
−47.614
−73.474
1.00
23.58
MOL2
C


ATOM
4670
C
LEU
C
46
15.960
−46.108
−69.322
1.00
39.09
MOL2
C


ATOM
4671
O
LEU
C
46
16.989
−45.429
−69.321
1.00
43.63
MOL2
O


ATOM
4672
N
LEU
C
47
15.807
−47.213
−68.598
1.00
40.04
MOL2
N


ATOM
4673
CA
LEU
C
47
16.880
−47.746
−67.773
1.00
36.49
MOL2
C


ATOM
4674
CB
LEU
C
47
16.400
−48.074
−66.364
1.00
35.32
MOL2
C


ATOM
4675
CG
LEU
C
47
16.526
−46.945
−65.348
1.00
45.46
MOL2
C


ATOM
4676
CD1
LEU
C
47
16.039
−47.403
−64.004
1.00
49.22
MOL2
C


ATOM
4677
CD2
LEU
C
47
17.964
−46.526
−65.240
1.00
52.10
MOL2
C


ATOM
4678
C
LEU
C
47
17.418
−49.009
−68.390
1.00
37.87
MOL2
C


ATOM
4679
O
LEU
C
47
18.606
−49.117
−68.623
1.00
44.63
MOL2
O


ATOM
4680
N
ILE
C
48
16.537
−49.958
−68.679
1.00
36.23
MOL2
N


ATOM
4681
CA
ILE
C
48
16.961
−51.235
−69.225
1.00
32.84
MOL2
C


ATOM
4682
CB
ILE
C
48
17.074
−52.258
−68.070
1.00
34.34
MOL2
C


ATOM
4683
CG2
ILE
C
48
17.200
−53.672
−68.586
1.00
25.98
MOL2
C


ATOM
4684
CG1
ILE
C
48
18.268
−51.897
−67.194
1.00
36.96
MOL2
C


ATOM
4685
CD1
ILE
C
48
18.229
−52.512
−65.823
1.00
36.19
MOL2
C


ATOM
4686
C
ILE
C
48
16.022
−51.786
−70.281
1.00
35.44
MOL2
C


ATOM
4687
O
ILE
C
48
14.815
−51.818
−70.072
1.00
39.59
MOL2
O


ATOM
4688
N
TYR
C
49
16.581
−52.215
−71.413
1.00
36.31
MOL2
N


ATOM
4689
CA
TYR
C
49
15.797
−52.813
−72.493
1.00
37.52
MOL2
C


ATOM
4690
CB
TYR
C
49
16.081
−52.165
−73.852
1.00
37.22
MOL2
C


ATOM
4691
CG
TYR
C
49
17.514
−52.236
−74.361
1.00
38.82
MOL2
C


ATOM
4692
CD1
TYR
C
49
18.494
−51.433
−73.811
1.00
43.57
MOL2
C


ATOM
4693
CE1
TYR
C
49
19.759
−51.371
−74.352
1.00
36.43
MOL2
C


ATOM
4694
CD2
TYR
C
49
17.855
−53.005
−75.477
1.00
37.22
MOL2
C


ATOM
4695
CE2
TYR
C
49
19.127
−52.949
−76.032
1.00
24.31
MOL2
C


ATOM
4696
CZ
TYR
C
49
20.066
−52.122
−75.456
1.00
35.68
MOL2
C


ATOM
4697
OH
TYR
C
49
21.329
−51.997
−75.967
1.00
46.18
MOL2
O


ATOM
4698
C
TYR
C
49
16.075
−54.302
−72.619
1.00
42.30
MOL2
C


ATOM
4699
O
TYR
C
49
17.075
−54.808
−72.109
1.00
45.94
MOL2
O


ATOM
4700
N
LEU
C
50
15.197
−54.999
−73.332
1.00
41.35
MOL2
N


ATOM
4701
CA
LEU
C
50
15.333
−56.434
−73.504
1.00
37.64
MOL2
C


ATOM
4702
CB
LEU
C
50
16.309
−56.760
−74.619
1.00
41.43
MOL2
C


ATOM
4703
CG
LEU
C
50
15.801
−56.897
−76.060
1.00
49.42
MOL2
C


ATOM
4704
CD1
LEU
C
50
14.353
−57.366
−76.092
1.00
43.83
MOL2
C


ATOM
4705
CD2
LEU
C
50
15.953
−55.576
−76.752
1.00
49.87
MOL2
C


ATOM
4706
C
LEU
C
50
15.803
−57.131
−72.232
1.00
38.81
MOL2
C


ATOM
4707
O
LEU
C
50
16.858
−57.741
−72.204
1.00
39.05
MOL2
O


ATOM
4708
N
VAL
C
51
15.011
−57.008
−71.179
1.00
39.86
MOL2
N


ATOM
4709
CA
VAL
C
51
15.264
−57.635
−69.890
1.00
41.18
MOL2
C


ATOM
4710
CB
VAL
C
51
15.333
−59.142
−69.983
1.00
40.58
MOL2
C


ATOM
4711
CG1
VAL
C
51
15.210
−59.724
−68.598
1.00
38.71
MOL2
C


ATOM
4712
CG2
VAL
C
51
14.249
−59.650
−70.861
1.00
40.41
MOL2
C


ATOM
4713
C
VAL
C
51
16.455
−57.249
−69.062
1.00
44.87
MOL2
C


ATOM
4714
O
VAL
C
51
16.310
−57.004
−67.863
1.00
52.89
MOL2
O


ATOM
4715
N
SER
C
52
17.642
−57.226
−69.643
1.00
42.94
MOL2
N


ATOM
4716
CA
SER
C
52
18.771
−56.866
−68.802
1.00
46.98
MOL2
C


ATOM
4717
CB
SER
C
52
19.354
−58.118
−68.139
1.00
42.72
MOL2
C


ATOM
4718
OG
SER
C
52
19.474
−59.178
−69.066
1.00
55.45
MOL2
O


ATOM
4719
C
SER
C
52
19.877
−56.021
−69.407
1.00
44.33
MOL2
C


ATOM
4720
O
SER
C
52
20.949
−55.910
−68.838
1.00
50.11
MOL2
O


ATOM
4721
N
ASN
C
53
19.610
−55.395
−70.540
1.00
42.65
MOL2
N


ATOM
4722
CA
ASN
C
53
20.604
−54.541
−71.167
1.00
41.62
MOL2
C


ATOM
4723
CB
ASN
C
53
20.452
−54.611
−72.673
1.00
42.75
MOL2
C


ATOM
4724
CG
ASN
C
53
20.612
−55.998
−73.197
1.00
47.39
MOL2
C


ATOM
4725
OD1
ASN
C
53
19.685
−56.801
−73.166
1.00
52.81
MOL2
O


ATOM
4726
ND2
ASN
C
53
21.808
−56.304
−73.673
1.00
56.43
MOL2
N


ATOM
4727
C
ASN
C
53
20.395
−53.103
−70.717
1.00
44.00
MOL2
C


ATOM
4728
O
ASN
C
53
19.272
−52.606
−70.749
1.00
48.58
MOL2
O


ATOM
4729
N
ARG
C
54
21.450
−52.407
−70.315
1.00
42.36
MOL2
N


ATOM
4730
CA
ARG
C
54
21.223
−51.036
−69.888
1.00
46.77
MOL2
C


ATOM
4731
CB
ARG
C
54
21.966
−50.745
−68.565
1.00
54.04
MOL2
C


ATOM
4732
CG
ARG
C
54
23.437
−50.361
−68.636
1.00
62.65
MOL2
C


ATOM
4733
CD
ARG
C
54
23.970
−50.206
−67.220
1.00
53.90
MOL2
C


ATOM
4734
NE
ARG
C
54
23.905
−51.481
−66.516
1.00
64.24
MOL2
N


ATOM
4735
CZ
ARG
C
54
24.889
−52.375
−66.504
1.00
71.05
MOL2
C


ATOM
4736
NH1
ARG
C
54
26.019
−52.120
−67.153
1.00
76.78
MOL2
N


ATOM
4737
NH2
ARG
C
54
24.740
−53.531
−65.866
1.00
71.08
MOL2
N


ATOM
4738
C
ARG
C
54
21.524
−49.998
−70.965
1.00
44.55
MOL2
C


ATOM
4739
O
ARG
C
54
22.327
−50.238
−71.857
1.00
42.06
MOL2
O


ATOM
4740
N
GLU
C
55
20.830
−48.861
−70.908
1.00
49.25
MOL2
N


ATOM
4741
CA
GLU
C
55
21.039
−47.799
−71.892
1.00
52.24
MOL2
C


ATOM
4742
CB
GLU
C
55
20.008
−46.681
−71.769
1.00
55.16
MOL2
C


ATOM
4743
CG
GLU
C
55
18.911
−46.718
−72.816
1.00
64.00
MOL2
C


ATOM
4744
CD
GLU
C
55
19.397
−46.306
−74.186
1.00
66.72
MOL2
C


ATOM
4745
OE1
GLU
C
55
20.377
−46.908
−74.668
1.00
73.90
MOL2
O


ATOM
4746
OE2
GLU
C
55
18.798
−45.381
−74.778
1.00
64.41
MOL2
O


ATOM
4747
C
GLU
C
55
22.396
−47.231
−71.632
1.00
54.17
MOL2
C


ATOM
4748
O
GLU
C
55
22.987
−47.496
−70.586
1.00
52.51
MOL2
O


ATOM
4749
N
SER
C
56
22.880
−46.432
−72.573
1.00
56.90
MOL2
N


ATOM
4750
CA
SER
C
56
24.205
−45.836
−72.467
1.00
60.81
MOL2
C


ATOM
4751
CB
SER
C
56
24.390
−44.785
−73.554
1.00
59.03
MOL2
C


ATOM
4752
OG
SER
C
56
24.195
−45.359
−74.842
1.00
66.73
MOL2
O


ATOM
4753
C
SER
C
56
24.523
−45.225
−71.106
1.00
65.30
MOL2
C


ATOM
4754
O
SER
C
56
25.388
−45.709
−70.372
1.00
71.47
MOL2
O


ATOM
4755
N
GLY
C
57
23.827
−44.161
−70.753
1.00
65.57
MOL2
N


ATOM
4756
CA
GLY
C
57
24.110
−43.535
−69.473
1.00
62.49
MOL2
C


ATOM
4757
C
GLY
C
57
23.886
−44.364
−68.219
1.00
55.75
MOL2
C


ATOM
4758
O
GLY
C
57
24.646
−44.243
−67.272
1.00
57.46
MOL2
O


ATOM
4759
N
VAL
C
58
22.852
−45.201
−68.214
1.00
51.16
MOL2
N


ATOM
4760
CA
VAL
C
58
22.507
−46.016
−67.057
1.00
45.06
MOL2
C


ATOM
4761
CB
VAL
C
58
21.632
−47.208
−67.461
1.00
43.86
MOL2
C


ATOM
4762
CG1
VAL
C
58
20.912
−47.749
−66.253
1.00
45.32
MOL2
C


ATOM
4763
CG2
VAL
C
58
20.642
−46.801
−68.498
1.00
39.41
MOL2
C


ATOM
4764
C
VAL
C
58
23.735
−46.551
−66.334
1.00
48.33
MOL2
C


ATOM
4765
O
VAL
C
58
24.558
−47.247
−66.931
1.00
45.45
MOL2
O


ATOM
4766
N
PRO
C
59
23.867
−46.231
−65.032
1.00
48.70
MOL2
N


ATOM
4767
CD
PRO
C
59
23.066
−45.215
−64.334
1.00
59.59
MOL2
C


ATOM
4768
CA
PRO
C
59
24.972
−46.646
−64.181
1.00
45.60
MOL2
C


ATOM
4769
CB
PRO
C
59
24.665
−45.977
−62.858
1.00
47.98
MOL2
C


ATOM
4770
CG
PRO
C
59
24.041
−44.724
−63.272
1.00
56.22
MOL2
C


ATOM
4771
C
PRO
C
59
25.117
−48.125
−64.043
1.00
51.02
MOL2
C


ATOM
4772
O
PRO
C
59
24.229
−48.900
−64.364
1.00
53.55
MOL2
O


ATOM
4773
N
SER
C
60
26.273
−48.498
−63.529
1.00
63.15
MOL2
N


ATOM
4774
CA
SER
C
60
26.636
−49.887
−63.343
1.00
64.70
MOL2
C


ATOM
4775
CB
SER
C
60
28.107
−49.966
−62.869
1.00
76.08
MOL2
C


ATOM
4776
OG
SER
C
60
28.963
−49.038
−63.554
1.00
76.30
MOL2
O


ATOM
4777
C
SER
C
60
25.705
−50.637
−62.374
1.00
60.32
MOL2
C


ATOM
4778
O
SER
C
60
25.409
−51.807
−62.610
1.00
61.45
MOL2
O


ATOM
4779
N
ARG
C
61
25.238
−49.969
−61.310
1.00
49.31
MOL2
N


ATOM
4780
CA
ARG
C
61
24.365
−50.590
−60.305
1.00
43.23
MOL2
C


ATOM
4781
CB
ARG
C
61
24.115
−49.612
−59.147
1.00
35.46
MOL2
C


ATOM
4782
CG
ARG
C
61
24.043
−48.138
−59.542
1.00
42.58
MOL2
C


ATOM
4783
CD
ARG
C
61
23.830
−47.195
−58.337
1.00
37.38
MOL2
C


ATOM
4784
NE
ARG
C
61
23.442
−45.821
−58.702
1.00
36.31
MOL2
N


ATOM
4785
CZ
ARG
C
61
24.218
−44.943
−59.338
1.00
43.03
MOL2
C


ATOM
4786
NH1
ARG
C
61
25.449
−45.269
−59.703
1.00
54.77
MOL2
N


ATOM
4787
NH2
ARG
C
61
23.772
−43.724
−59.606
1.00
45.96
MOL2
N


ATOM
4788
C
ARG
C
61
23.027
−51.186
−60.763
1.00
44.64
MOL2
C


ATOM
4789
O
ARG
C
61
22.603
−52.226
−60.266
1.00
49.46
MOL2
O


ATOM
4790
N
PHE
C
62
22.362
−50.552
−61.715
1.00
42.85
MOL2
N


ATOM
4791
CA
PHE
C
62
21.078
−51.060
−62.185
1.00
41.55
MOL2
C


ATOM
4792
CB
PHE
C
62
20.400
−50.000
−63.034
1.00
32.24
MOL2
C


ATOM
4793
CG
PHE
C
62
20.092
−48.753
−62.282
1.00
33.23
MOL2
C


ATOM
4794
CD1
PHE
C
62
18.952
−48.661
−61.510
1.00
30.43
MOL2
C


ATOM
4795
CD2
PHE
C
62
20.975
−47.691
−62.291
1.00
34.55
MOL2
C


ATOM
4796
CE1
PHE
C
62
18.697
−47.539
−60.760
1.00
31.63
MOL2
C


ATOM
4797
CE2
PHE
C
62
20.723
−46.566
−61.541
1.00
35.40
MOL2
C


ATOM
4798
CZ
PHE
C
62
19.578
−46.493
−60.771
1.00
35.12
MOL2
C


ATOM
4799
C
PHE
C
62
21.214
−52.333
−62.997
1.00
46.01
MOL2
C


ATOM
4800
O
PHE
C
62
21.980
−52.367
−63.942
1.00
54.58
MOL2
O


ATOM
4801
N
SER
C
63
20.464
−53.376
−62.652
1.00
48.82
MOL2
N


ATOM
4802
CA
SER
C
63
20.531
−54.624
−63.407
1.00
47.97
MOL2
C


ATOM
4803
CB
SER
C
63
21.560
−55.551
−62.776
1.00
55.17
MOL2
C


ATOM
4804
OG
SER
C
63
21.678
−55.300
−61.382
1.00
63.54
MOL2
O


ATOM
4805
C
SER
C
63
19.182
−55.322
−63.505
1.00
49.62
MOL2
C


ATOM
4806
O
SER
C
63
18.454
−55.438
−62.520
1.00
51.38
MOL2
O


ATOM
4807
N
GLY
C
64
18.848
−55.781
−64.704
1.00
52.59
MOL2
N


ATOM
4808
CA
GLY
C
64
17.582
−56.462
−64.913
1.00
56.43
MOL2
C


ATOM
4809
C
GLY
C
64
17.784
−57.957
−64.878
1.00
58.12
MOL2
C


ATOM
4810
O
GLY
C
64
18.905
−58.405
−64.691
1.00
61.31
MOL2
O


ATOM
4811
N
SER
C
65
16.712
−58.727
−65.044
1.00
61.30
MOL2
N


ATOM
4812
CA
SER
C
65
16.789
−60.191
−65.035
1.00
63.04
MOL2
C


ATOM
4813
CB
SER
C
65
17.555
−60.696
−63.808
1.00
60.37
MOL2
C


ATOM
4814
OG
SER
C
65
17.103
−60.090
−62.615
1.00
64.71
MOL2
O


ATOM
4815
C
SER
C
65
15.413
−60.829
−65.063
1.00
65.22
MOL2
C


ATOM
4816
O
SER
C
65
14.523
−60.420
−64.321
1.00
69.55
MOL2
O


ATOM
4817
N
GLY
C
66
15.230
−61.834
−65.914
1.00
65.22
MOL2
N


ATOM
4818
CA
GLY
C
66
13.926
−62.458
−65.973
1.00
73.68
MOL2
C


ATOM
4819
C
GLY
C
66
13.676
−63.480
−67.062
1.00
81.66
MOL2
C


ATOM
4820
O
GLY
C
66
14.391
−63.551
−68.069
1.00
79.94
MOL2
O


ATOM
4821
N
SER
C
67
12.627
−64.272
−66.844
1.00
89.51
MOL2
N


ATOM
4822
CA
SER
C
67
12.224
−65.331
−67.764
1.00
93.54
MOL2
C


ATOM
4823
CB
SER
C
67
11.482
−66.435
−67.005
1.00
93.70
MOL2
C


ATOM
4824
OG
SER
C
67
10.333
−65.914
−66.356
1.00
92.11
MOL2
O


ATOM
4825
C
SER
C
67
11.321
−64.782
−68.845
1.00
94.61
MOL2
C


ATOM
4826
O
SER
C
67
11.796
−64.237
−69.844
1.00
95.58
MOL2
O


ATOM
4827
N
GLY
C
68
10.016
−64.937
−68.628
1.00
95.23
MOL2
N


ATOM
4828
CA
GLY
C
68
9.020
−64.463
−69.574
1.00
96.12
MOL2
C


ATOM
4829
C
GLY
C
68
7.683
−64.269
−68.886
1.00
96.00
MOL2
C


ATOM
4830
O
GLY
C
68
6.660
−64.056
−69.537
1.00
96.37
MOL2
O


ATOM
4831
N
THR
C
69
7.704
−64.344
−67.557
1.00
95.68
MOL2
N


ATOM
4832
CA
THR
C
69
6.507
−64.179
−66.737
1.00
91.12
MOL2
C


ATOM
4833
CB
THR
C
69
5.919
−65.537
−66.335
1.00
90.68
MOL2
C


ATOM
4834
OG1
THR
C
69
4.901
−65.339
−65.349
1.00
89.39
MOL2
O


ATOM
4835
CG2
THR
C
69
7.010
−66.443
−65.770
1.00
93.08
MOL2
C


ATOM
4836
C
THR
C
69
6.844
−63.395
−65.472
1.00
88.46
MOL2
C


ATOM
4837
O
THR
C
69
6.030
−62.616
−64.979
1.00
85.81
MOL2
O


ATOM
4838
N
ASP
C
70
8.046
−63.612
−64.946
1.00
88.12
MOL2
N


ATOM
4839
CA
ASP
C
70
8.500
−62.905
−63.752
1.00
85.65
MOL2
C


ATOM
4840
CB
ASP
C
70
8.708
−63.866
−62.572
1.00
90.05
MOL2
C


ATOM
4841
CG
ASP
C
70
7.424
−64.558
−62.132
1.00
95.17
MOL2
C


ATOM
4842
OD1
ASP
C
70
7.429
−65.157
−61.035
1.00
99.07
MOL2
O


ATOM
4843
OD2
ASP
C
70
6.419
−64.519
−62.873
1.00
96.71
MOL2
O


ATOM
4844
C
ASP
C
70
9.819
−62.199
−64.056
1.00
79.36
MOL2
C


ATOM
4845
O
ASP
C
70
10.718
−62.769
−64.676
1.00
81.13
MOL2
O


ATOM
4846
N
PHE
C
71
9.923
−60.947
−63.632
1.00
68.65
MOL2
N


ATOM
4847
CA
PHE
C
71
11.132
−60.172
−63.852
1.00
55.13
MOL2
C


ATOM
4848
CB
PHE
C
71
10.950
−59.221
−65.005
1.00
47.53
MOL2
C


ATOM
4849
CG
PHE
C
71
10.576
−59.890
−66.262
1.00
45.02
MOL2
C


ATOM
4850
CD1
PHE
C
71
11.465
−59.963
−67.307
1.00
46.41
MOL2
C


ATOM
4851
CD2
PHE
C
71
9.323
−60.433
−66.415
1.00
42.09
MOL2
C


ATOM
4852
CE1
PHE
C
71
11.103
−60.562
−68.485
1.00
44.29
MOL2
C


ATOM
4853
CE2
PHE
C
71
8.959
−61.033
−67.592
1.00
41.81
MOL2
C


ATOM
4854
CZ
PHE
C
71
9.847
−61.096
−68.628
1.00
40.40
MOL2
C


ATOM
4855
C
PHE
C
71
11.470
−59.372
−62.623
1.00
53.35
MOL2
C


ATOM
4856
O
PHE
C
71
10.616
−59.107
−61.772
1.00
54.82
MOL2
O


ATOM
4857
N
THR
C
72
12.719
−58.957
−62.544
1.00
47.38
MOL2
N


ATOM
4858
CA
THR
C
72
13.162
−58.212
−61.395
1.00
51.19
MOL2
C


ATOM
4859
CB
THR
C
72
13.820
−59.138
−60.369
1.00
57.83
MOL2
C


ATOM
4860
OG1
THR
C
72
12.830
−59.643
−59.463
1.00
69.70
MOL2
O


ATOM
4861
CG2
THR
C
72
14.903
−58.385
−59.603
1.00
59.36
MOL2
C


ATOM
4862
C
THR
C
72
14.178
−57.161
−61.747
1.00
46.72
MOL2
C


ATOM
4863
O
THR
C
72
15.110
−57.419
−62.489
1.00
49.28
MOL2
O


ATOM
4864
N
LEU
C
73
13.990
−55.966
−61.211
1.00
46.28
MOL2
N


ATOM
4865
CA
LEU
C
73
14.925
−54.885
−61.438
1.00
45.82
MOL2
C


ATOM
4866
CB
LEU
C
73
14.196
−53.578
−61.712
1.00
45.60
MOL2
C


ATOM
4867
CG
LEU
C
73
15.168
−52.402
−61.694
1.00
52.06
MOL2
C


ATOM
4868
CD1
LEU
C
73
16.429
−52.775
−62.453
1.00
54.73
MOL2
C


ATOM
4869
CD2
LEU
C
73
14.512
−51.185
−62.299
1.00
54.51
MOL2
C


ATOM
4870
C
LEU
C
73
15.642
−54.787
−60.126
1.00
44.33
MOL2
C


ATOM
4871
O
LEU
C
73
15.015
−54.959
−59.083
1.00
47.74
MOL2
O


ATOM
4872
N
THR
C
74
16.942
−54.521
−60.150
1.00
42.16
MOL2
N


ATOM
4873
CA
THR
C
74
17.665
−54.436
−58.890
1.00
46.63
MOL2
C


ATOM
4874
CB
THR
C
74
18.187
−55.818
−58.459
1.00
50.79
MOL2
C


ATOM
4875
OG1
THR
C
74
19.400
−55.649
−57.714
1.00
53.78
MOL2
O


ATOM
4876
CG2
THR
C
74
18.412
−56.723
−59.683
1.00
50.86
MOL2
C


ATOM
4877
C
THR
C
74
18.821
−53.453
−58.832
1.00
44.72
MOL2
C


ATOM
4878
O
THR
C
74
19.681
−53.425
−59.707
1.00
45.79
MOL2
O


ATOM
4879
N
ILE
C
75
18.831
−52.648
−57.779
1.00
42.15
MOL2
N


ATOM
4880
CA
ILE
C
75
19.873
−51.665
−57.586
1.00
48.05
MOL2
C


ATOM
4881
CB
ILE
C
75
19.282
−50.316
−57.156
1.00
47.25
MOL2
C


ATOM
4882
CG2
ILE
C
75
20.339
−49.226
−57.222
1.00
54.36
MOL2
C


ATOM
4883
CG1
ILE
C
75
18.145
−49.932
−58.091
1.00
41.76
MOL2
C


ATOM
4884
CD1
ILE
C
75
17.763
−48.493
−57.969
1.00
40.92
MOL2
C


ATOM
4885
C
ILE
C
75
20.837
−52.161
−56.510
1.00
53.74
MOL2
C


ATOM
4886
O
ILE
C
75
20.519
−52.153
−55.325
1.00
58.13
MOL2
O


ATOM
4887
N
SER
C
76
22.017
−52.589
−56.947
1.00
56.34
MOL2
N


ATOM
4888
CA
SER
C
76
23.071
−53.111
−56.085
1.00
55.62
MOL2
C


ATOM
4889
CB
SER
C
76
24.334
−53.347
−56.900
1.00
61.50
MOL2
C


ATOM
4890
OG
SER
C
76
24.075
−54.209
−57.995
1.00
81.73
MOL2
O


ATOM
4891
C
SER
C
76
23.446
−52.224
−54.927
1.00
54.64
MOL2
C


ATOM
4892
O
SER
C
76
23.716
−52.699
−53.830
1.00
61.45
MOL2
O


ATOM
4893
N
SER
C
77
23.484
−50.928
−55.163
1.00
52.22
MOL2
N


ATOM
4894
CA
SER
C
77
23.870
−50.024
−54.101
1.00
52.79
MOL2
C


ATOM
4895
CB
SER
C
77
25.389
−49.839
−54.162
1.00
49.01
MOL2
C


ATOM
4896
OG
SER
C
77
25.840
−48.801
−53.318
1.00
53.10
MOL2
O


ATOM
4897
C
SER
C
77
23.138
−48.689
−54.235
1.00
54.66
MOL2
C


ATOM
4898
O
SER
C
77
23.654
−47.741
−54.824
1.00
57.72
MOL2
O


ATOM
4899
N
LEU
C
78
21.935
−48.619
−53.677
1.00
52.90
MOL2
N


ATOM
4900
CA
LEU
C
78
21.130
−47.412
−53.756
1.00
50.36
MOL2
C


ATOM
4901
CB
LEU
C
78
20.011
−47.468
−52.723
1.00
47.88
MOL2
C


ATOM
4902
CG
LEU
C
78
18.749
−46.876
−53.326
1.00
47.66
MOL2
C


ATOM
4903
CD1
LEU
C
78
18.558
−47.499
−54.675
1.00
48.44
MOL2
C


ATOM
4904
CD2
LEU
C
78
17.545
−47.118
−52.440
1.00
54.70
MOL2
C


ATOM
4905
C
LEU
C
78
21.947
−46.138
−53.582
1.00
50.02
MOL2
C


ATOM
4906
O
LEU
C
78
22.831
−46.061
−52.734
1.00
50.35
MOL2
O


ATOM
4907
N
GLN
C
79
21.640
−45.143
−54.406
1.00
52.73
MOL2
N


ATOM
4908
CA
GLN
C
79
22.334
−43.857
−54.393
1.00
54.06
MOL2
C


ATOM
4909
CB
GLN
C
79
23.080
−43.648
−55.711
1.00
55.34
MOL2
C


ATOM
4910
CG
GLN
C
79
24.229
−44.593
−55.899
1.00
54.70
MOL2
C


ATOM
4911
CD
GLN
C
79
25.156
−44.554
−54.715
1.00
59.34
MOL2
C


ATOM
4912
OE1
GLN
C
79
25.829
−43.547
−54.475
1.00
60.93
MOL2
O


ATOM
4913
NE2
GLN
C
79
25.187
−45.644
−53.949
1.00
52.58
MOL2
N


ATOM
4914
C
GLN
C
79
21.341
−42.731
−54.210
1.00
54.56
MOL2
C


ATOM
4915
O
GLN
C
79
20.169
−42.881
−54.541
1.00
62.39
MOL2
O


ATOM
4916
N
PRO
C
80
21.806
−41.571
−53.721
1.00
52.71
MOL2
N


ATOM
4917
CD
PRO
C
80
23.220
−41.182
−53.617
1.00
49.20
MOL2
C


ATOM
4918
CA
PRO
C
80
20.939
−40.410
−53.493
1.00
55.43
MOL2
C


ATOM
4919
CB
PRO
C
80
21.930
−39.266
−53.320
1.00
49.94
MOL2
C


ATOM
4920
CG
PRO
C
80
23.134
−39.939
−52.777
1.00
51.58
MOL2
C


ATOM
4921
C
PRO
C
80
19.993
−40.161
−54.655
1.00
59.49
MOL2
C


ATOM
4922
O
PRO
C
80
18.794
−39.970
−54.471
1.00
68.04
MOL2
O


ATOM
4923
N
GLU
C
81
20.542
−40.185
−55.858
1.00
58.82
MOL2
N


ATOM
4924
CA
GLU
C
81
19.765
−39.927
−57.051
1.00
65.03
MOL2
C


ATOM
4925
CB
GLU
C
81
20.689
−39.406
−58.158
1.00
76.22
MOL2
C


ATOM
4926
CG
GLU
C
81
22.051
−40.110
−58.272
1.00
88.01
MOL2
C


ATOM
4927
CD
GLU
C
81
23.077
−39.649
−57.229
1.00
97.10
MOL2
C


ATOM
4928
OE1
GLU
C
81
24.225
−40.147
−57.275
1.00
101.10
MOL2
O


ATOM
4929
OE2
GLU
C
81
22.751
−38.795
−56.369
1.00
101.43
MOL2
O


ATOM
4930
C
GLU
C
81
18.959
−41.102
−57.572
1.00
63.06
MOL2
C


ATOM
4931
O
GLU
C
81
18.359
−41.016
−58.638
1.00
70.08
MOL2
O


ATOM
4932
N
ASP
C
82
18.931
−42.199
−56.834
1.00
56.47
MOL2
N


ATOM
4933
CA
ASP
C
82
18.178
−43.356
−57.291
1.00
56.08
MOL2
C


ATOM
4934
CB
ASP
C
82
18.915
−44.631
−56.912
1.00
65.30
MOL2
C


ATOM
4935
CG
ASP
C
82
20.182
−44.808
−57.704
1.00
75.06
MOL2
C


ATOM
4936
OD1
ASP
C
82
20.938
−45.761
−57.409
1.00
79.38
MOL2
O


ATOM
4937
OD2
ASP
C
82
20.407
−43.989
−58.628
1.00
78.88
MOL2
O


ATOM
4938
C
ASP
C
82
16.778
−43.366
−56.716
1.00
50.07
MOL2
C


ATOM
4939
O
ASP
C
82
15.960
−44.244
−57.018
1.00
43.69
MOL2
O


ATOM
4940
N
PHE
C
83
16.512
−42.377
−55.880
1.00
46.85
MOL2
N


ATOM
4941
CA
PHE
C
83
15.217
−42.262
−55.263
1.00
47.13
MOL2
C


ATOM
4942
CB
PHE
C
83
15.316
−41.358
−54.038
1.00
41.56
MOL2
C


ATOM
4943
CG
PHE
C
83
16.047
−41.988
−52.899
1.00
43.74
MOL2
C


ATOM
4944
CD1
PHE
C
83
17.214
−41.435
−52.409
1.00
47.35
MOL2
C


ATOM
4945
CD2
PHE
C
83
15.573
−43.157
−52.326
1.00
50.15
MOL2
C


ATOM
4946
CE1
PHE
C
83
17.899
−42.038
−51.367
1.00
47.11
MOL2
C


ATOM
4947
CE2
PHE
C
83
16.247
−43.765
−51.287
1.00
47.53
MOL2
C


ATOM
4948
CZ
PHE
C
83
17.412
−43.204
−50.808
1.00
50.38
MOL2
C


ATOM
4949
C
PHE
C
83
14.259
−41.716
−56.303
1.00
46.06
MOL2
C


ATOM
4950
O
PHE
C
83
14.272
−40.521
−56.625
1.00
46.82
MOL2
O


ATOM
4951
N
ALA
C
84
13.447
−42.621
−56.838
1.00
40.65
MOL2
N


ATOM
4952
CA
ALA
C
84
12.472
−42.291
−57.854
1.00
41.88
MOL2
C


ATOM
4953
CB
ALA
C
84
13.169
−42.081
−59.176
1.00
43.18
MOL2
C


ATOM
4954
C
ALA
C
84
11.467
−43.417
−57.980
1.00
42.51
MOL2
C


ATOM
4955
O
ALA
C
84
11.444
−44.347
−57.183
1.00
44.46
MOL2
O


ATOM
4956
N
THR
C
85
10.638
−43.340
−58.997
1.00
40.74
MOL2
N


ATOM
4957
CA
THR
C
85
9.659
−44.371
−59.185
1.00
45.97
MOL2
C


ATOM
4958
CB
THR
C
85
8.312
−43.744
−59.441
1.00
52.46
MOL2
C


ATOM
4959
OG1
THR
C
85
8.011
−42.858
−58.352
1.00
55.95
MOL2
O


ATOM
4960
CG2
THR
C
85
7.236
−44.817
−59.564
1.00
57.54
MOL2
C


ATOM
4961
C
THR
C
85
10.132
−45.159
−60.377
1.00
43.47
MOL2
C


ATOM
4962
O
THR
C
85
10.725
−44.579
−61.274
1.00
46.85
MOL2
O


ATOM
4963
N
TYR
C
86
9.896
−46.470
−60.386
1.00
38.56
MOL2
N


ATOM
4964
CA
TYR
C
86
10.333
−47.297
−61.505
1.00
34.41
MOL2
C


ATOM
4965
CB
TYR
C
86
11.420
−48.263
−61.050
1.00
29.81
MOL2
C


ATOM
4966
CG
TYR
C
86
12.660
−47.561
−60.554
1.00
33.34
MOL2
C


ATOM
4967
CD1
TYR
C
86
12.753
−47.089
−59.249
1.00
30.80
MOL2
C


ATOM
4968
CE1
TYR
C
86
13.895
−46.406
−58.808
1.00
31.41
MOL2
C


ATOM
4969
CD2
TYR
C
86
13.734
−47.331
−61.407
1.00
38.84
MOL2
C


ATOM
4970
CE2
TYR
C
86
14.873
−46.644
−60.977
1.00
36.10
MOL2
C


ATOM
4971
CZ
TYR
C
86
14.947
−46.192
−59.683
1.00
33.18
MOL2
C


ATOM
4972
OH
TYR
C
86
16.087
−45.553
−59.275
1.00
29.32
MOL2
O


ATOM
4973
C
TYR
C
86
9.192
−48.057
−62.136
1.00
37.41
MOL2
C


ATOM
4974
O
TYR
C
86
8.342
−48.594
−61.433
1.00
42.90
MOL2
O


ATOM
4975
N
TYR
C
87
9.166
−48.097
−63.464
1.00
35.15
MOL2
N


ATOM
4976
CA
TYR
C
87
8.091
−48.793
−64.174
1.00
42.51
MOL2
C


ATOM
4977
CB
TYR
C
87
7.300
−47.825
−65.078
1.00
42.87
MOL2
C


ATOM
4978
CG
TYR
C
87
6.581
−46.680
−64.389
1.00
49.15
MOL2
C


ATOM
4979
CD1
TYR
C
87
5.334
−46.846
−63.809
1.00
49.37
MOL2
C


ATOM
4980
CE1
TYR
C
87
4.699
−45.785
−63.161
1.00
55.42
MOL2
C


ATOM
4981
CD2
TYR
C
87
7.167
−45.429
−64.309
1.00
57.77
MOL2
C


ATOM
4982
CE2
TYR
C
87
6.543
−44.370
−63.667
1.00
58.59
MOL2
C


ATOM
4983
CZ
TYR
C
87
5.318
−44.548
−63.093
1.00
55.31
MOL2
C


ATOM
4984
OH
TYR
C
87
4.748
−43.481
−62.428
1.00
50.87
MOL2
O


ATOM
4985
C
TYR
C
87
8.625
−49.898
−65.069
1.00
44.65
MOL2
C


ATOM
4986
O
TYR
C
87
9.686
−49.744
−65.665
1.00
50.92
MOL2
O


ATOM
4987
N
CYS
C
88
7.902
−51.010
−65.165
1.00
40.51
MOL2
N


ATOM
4988
CA
CYS
C
88
8.321
−52.063
−66.074
1.00
44.56
MOL2
C


ATOM
4989
C
CYS
C
88
7.382
−51.954
−67.247
1.00
44.14
MOL2
C


ATOM
4990
O
CYS
C
88
6.341
−51.336
−67.127
1.00
50.52
MOL2
O


ATOM
4991
CB
CYS
C
88
8.229
−53.445
−65.447
1.00
53.31
MOL2
C


ATOM
4992
SG
CYS
C
88
6.697
−53.880
−64.577
1.00
73.27
MOL2
S


ATOM
4993
N
GLN
C
89
7.744
−52.514
−68.391
1.00
42.16
MOL2
N


ATOM
4994
CA
GLN
C
89
6.883
−52.417
−69.558
1.00
44.69
MOL2
C


ATOM
4995
CB
GLN
C
89
7.140
−51.123
−70.337
1.00
43.41
MOL2
C


ATOM
4996
CG
GLN
C
89
6.642
−51.211
−71.784
1.00
49.94
MOL2
C


ATOM
4997
CD
GLN
C
89
7.269
−50.188
−72.718
1.00
50.73
MOL2
C


ATOM
4998
OE1
GLN
C
89
8.451
−49.885
−72.615
1.00
46.53
MOL2
O


ATOM
4999
NE2
GLN
C
89
6.480
−49.675
−73.656
1.00
52.51
MOL2
N


ATOM
5000
C
GLN
C
89
7.137
−53.582
−70.473
1.00
48.95
MOL2
C


ATOM
5001
O
GLN
C
89
8.263
−54.033
−70.605
1.00
51.54
MOL2
O


ATOM
5002
N
GLN
C
90
6.083
−54.053
−71.121
1.00
53.29
MOL2
N


ATOM
5003
CA
GLN
C
90
6.190
−55.175
−72.029
1.00
56.74
MOL2
C


ATOM
5004
CB
GLN
C
90
5.246
−56.286
−71.568
1.00
59.25
MOL2
C


ATOM
5005
CG
GLN
C
90
3.787
−55.902
−71.608
1.00
58.76
MOL2
C


ATOM
5006
CD
GLN
C
90
3.185
−56.140
−72.969
1.00
68.50
MOL2
C


ATOM
5007
OE1
GLN
C
90
2.093
−55.661
−73.273
1.00
79.12
MOL2
O


ATOM
5008
NE2
GLN
C
90
3.892
−56.895
−73.803
1.00
67.31
MOL2
N


ATOM
5009
C
GLN
C
90
5.798
−54.677
−73.407
1.00
60.06
MOL2
C


ATOM
5010
O
GLN
C
90
5.064
−53.696
−73.520
1.00
60.76
MOL2
O


ATOM
5011
N
THR
C
91
6.306
−55.331
−74.450
1.00
61.92
MOL2
N


ATOM
5012
CA
THR
C
91
5.976
−54.959
−75.819
1.00
62.24
MOL2
C


ATOM
5013
CB
THR
C
91
7.067
−54.124
−76.509
1.00
58.94
MOL2
C


ATOM
5014
OG1
THR
C
91
8.308
−54.830
−76.463
1.00
61.60
MOL2
O


ATOM
5015
CG2
THR
C
91
7.215
−52.783
−75.847
1.00
61.34
MOL2
C


ATOM
5016
C
THR
C
91
5.777
−56.201
−76.648
1.00
66.54
MOL2
C


ATOM
5017
O
THR
C
91
5.987
−56.178
−77.854
1.00
71.36
MOL2
O


ATOM
5018
N
TRP
C
92
5.386
−57.294
−76.010
1.00
70.31
MOL2
N


ATOM
5019
CA
TRP
C
92
5.149
−58.508
−76.762
1.00
80.64
MOL2
C


ATOM
5020
CB
TRP
C
92
5.232
−59.735
−75.857
1.00
85.10
MOL2
C


ATOM
5021
CG
TRP
C
92
5.571
−60.982
−76.607
1.00
97.56
MOL2
C


ATOM
5022
CD2
TRP
C
92
4.837
−62.207
−76.612
1.00
103.33
MOL2
C


ATOM
5023
CE2
TRP
C
92
5.527
−63.108
−77.457
1.00
108.01
MOL2
C


ATOM
5024
CE3
TRP
C
92
3.663
−62.635
−75.984
1.00
106.52
MOL2
C


ATOM
5025
CD1
TRP
C
92
6.650
−61.180
−77.428
1.00
104.29
MOL2
C


ATOM
5026
NE1
TRP
C
92
6.630
−62.457
−77.943
1.00
104.83
MOL2
N


ATOM
5027
CZ2
TRP
C
92
5.078
−64.408
−77.688
1.00
114.24
MOL2
C


ATOM
5028
CZ3
TRP
C
92
3.216
−63.930
−76.214
1.00
115.21
MOL2
C


ATOM
5029
CH2
TRP
C
92
3.923
−64.801
−77.059
1.00
118.29
MOL2
C


ATOM
5030
C
TRP
C
92
3.766
−58.397
−77.405
1.00
87.15
MOL2
C


ATOM
5031
O
TRP
C
92
3.638
−58.507
−78.626
1.00
89.95
MOL2
O


ATOM
5032
N
SER
C
93
2.741
−58.151
−76.587
1.00
92.89
MOL2
N


ATOM
5033
CA
SER
C
93
1.364
−58.013
−77.073
1.00
98.74
MOL2
C


ATOM
5034
CB
SER
C
93
0.371
−58.525
−76.023
1.00
102.20
MOL2
C


ATOM
5035
OG
SER
C
93
0.370
−59.945
−75.962
1.00
103.64
MOL2
O


ATOM
5036
C
SER
C
93
1.025
−56.568
−77.427
1.00
100.18
MOL2
C


ATOM
5037
O
SER
C
93
1.289
−55.650
−76.647
1.00
97.42
MOL2
O


ATOM
5038
N
ASP
C
94
0.416
−56.393
−78.599
1.00
101.46
MOL2
N


ATOM
5039
CA
ASP
C
94
0.042
−55.086
−79.131
1.00
104.82
MOL2
C


ATOM
5040
CB
ASP
C
94
−1.136
−55.232
−80.089
1.00
113.86
MOL2
C


ATOM
5041
CG
ASP
C
94
−1.477
−53.923
−80.778
1.00
123.75
MOL2
C


ATOM
5042
OD1
ASP
C
94
−2.669
−53.693
−81.099
1.00
127.52
MOL2
O


ATOM
5043
OD2
ASP
C
94
−0.535
−53.126
−81.001
1.00
124.10
MOL2
O


ATOM
5044
C
ASP
C
94
−0.282
−53.949
−78.153
1.00
101.57
MOL2
C


ATOM
5045
O
ASP
C
94
0.285
−52.857
−78.251
1.00
108.20
MOL2
O


ATOM
5046
N
PRO
C
95
−1.225
−54.164
−77.224
1.00
93.00
MOL2
N


ATOM
5047
CD
PRO
C
95
−2.164
−55.268
−77.003
1.00
90.23
MOL2
C


ATOM
5048
CA
PRO
C
95
−1.500
−53.046
−76.312
1.00
85.27
MOL2
C


ATOM
5049
CB
PRO
C
95
−2.800
−53.450
−75.621
1.00
80.37
MOL2
C


ATOM
5050
CG
PRO
C
95
−3.372
−54.514
−76.521
1.00
91.74
MOL2
C


ATOM
5051
C
PRO
C
95
−0.361
−52.954
−75.318
1.00
80.12
MOL2
C


ATOM
5052
O
PRO
C
95
−0.492
−53.406
−74.186
1.00
84.08
MOL2
O


ATOM
5053
N
TRP
C
96
0.763
−52.394
−75.742
1.00
69.19
MOL2
N


ATOM
5054
CA
TRP
C
96
1.902
−52.276
−74.858
1.00
64.73
MOL2
C


ATOM
5055
CB
TRP
C
96
2.939
−51.339
−75.472
1.00
67.03
MOL2
C


ATOM
5056
CG
TRP
C
96
3.479
−51.811
−76.799
1.00
65.50
MOL2
C


ATOM
5057
CD2
TRP
C
96
4.212
−51.031
−77.751
1.00
64.82
MOL2
C


ATOM
5058
CE2
TRP
C
96
4.535
−51.883
−78.830
1.00
64.27
MOL2
C


ATOM
5059
CE3
TRP
C
96
4.631
−49.694
−77.796
1.00
65.71
MOL2
C


ATOM
5060
CD1
TRP
C
96
3.393
−53.074
−77.324
1.00
62.32
MOL2
C


ATOM
5061
NE1
TRP
C
96
4.024
−53.123
−78.543
1.00
57.53
MOL2
N


ATOM
5062
CZ2
TRP
C
96
5.257
−51.439
−79.950
1.00
67.90
MOL2
C


ATOM
5063
CZ3
TRP
C
96
5.350
−49.254
−78.907
1.00
71.07
MOL2
C


ATOM
5064
CH2
TRP
C
96
5.654
−50.127
−79.971
1.00
69.11
MOL2
C


ATOM
5065
C
TRP
C
96
1.448
−51.751
−73.499
1.00
62.33
MOL2
C


ATOM
5066
O
TRP
C
96
0.760
−50.736
−73.411
1.00
61.48
MOL2
O


ATOM
5067
N
THR
C
97
1.825
−52.438
−72.430
1.00
60.38
MOL2
N


ATOM
5068
CA
THR
C
97
1.402
−51.994
−71.107
1.00
67.03
MOL2
C


ATOM
5069
CB
THR
C
97
0.421
−52.981
−70.503
1.00
66.35
MOL2
C


ATOM
5070
OG1
THR
C
97
1.033
−54.275
−70.429
1.00
60.19
MOL2
O


ATOM
5071
CG2
THR
C
97
−0.838
−53.035
−71.356
1.00
68.04
MOL2
C


ATOM
5072
C
THR
C
97
2.517
−51.743
−70.093
1.00
67.76
MOL2
C


ATOM
5073
O
THR
C
97
3.618
−52.282
−70.211
1.00
74.50
MOL2
O


ATOM
5074
N
PHE
C
98
2.219
−50.913
−69.096
1.00
59.78
MOL2
N


ATOM
5075
CA
PHE
C
98
3.187
−50.571
−68.068
1.00
57.99
MOL2
C


ATOM
5076
CB
PHE
C
98
3.302
−49.052
−67.913
1.00
61.94
MOL2
C


ATOM
5077
CG
PHE
C
98
4.001
−48.362
−69.039
1.00
61.57
MOL2
C


ATOM
5078
CD1
PHE
C
98
3.456
−48.332
−70.303
1.00
67.69
MOL2
C


ATOM
5079
CD2
PHE
C
98
5.194
−47.711
−68.823
1.00
66.48
MOL2
C


ATOM
5080
CE1
PHE
C
98
4.093
−47.660
−71.330
1.00
67.42
MOL2
C


ATOM
5081
CE2
PHE
C
98
5.833
−47.039
−69.846
1.00
68.13
MOL2
C


ATOM
5082
CZ
PHE
C
98
5.282
−47.014
−71.097
1.00
66.10
MOL2
C


ATOM
5083
C
PHE
C
98
2.795
−51.131
−66.706
1.00
59.07
MOL2
C


ATOM
5084
O
PHE
C
98
1.687
−51.611
−66.501
1.00
62.87
MOL2
O


ATOM
5085
N
GLY
C
99
3.724
−51.036
−65.765
1.00
59.70
MOL2
N


ATOM
5086
CA
GLY
C
99
3.475
−51.494
−64.420
1.00
53.24
MOL2
C


ATOM
5087
C
GLY
C
99
2.872
−50.333
−63.670
1.00
51.26
MOL2
C


ATOM
5088
O
GLY
C
99
2.812
−49.216
−64.185
1.00
48.83
MOL2
O


ATOM
5089
N
GLN
C
100
2.423
−50.605
−62.455
1.00
51.14
MOL2
N


ATOM
5090
CA
GLN
C
100
1.798
−49.603
−61.623
1.00
55.18
MOL2
C


ATOM
5091
CB
GLN
C
100
1.165
−50.288
−60.427
1.00
63.92
MOL2
C


ATOM
5092
CG
GLN
C
100
2.172
−51.079
−59.621
1.00
74.70
MOL2
C


ATOM
5093
CD
GLN
C
100
1.666
−51.403
−58.236
1.00
86.82
MOL2
C


ATOM
5094
OE1
GLN
C
100
2.423
−51.875
−57.376
1.00
92.54
MOL2
O


ATOM
5095
NE2
GLN
C
100
0.374
−51.155
−58.004
1.00
91.03
MOL2
N


ATOM
5096
C
GLN
C
100
2.864
−48.636
−61.153
1.00
54.59
MOL2
C


ATOM
5097
O
GLN
C
100
2.571
−47.503
−60.752
1.00
52.82
MOL2
O


ATOM
5098
N
GLY
C
101
4.109
−49.099
−61.203
1.00
53.10
MOL2
N


ATOM
5099
CA
GLY
C
101
5.221
−48.274
−60.761
1.00
53.78
MOL2
C


ATOM
5100
C
GLY
C
101
5.540
−48.436
−59.280
1.00
52.00
MOL2
C


ATOM
5101
O
GLY
C
101
4.632
−48.520
−58.442
1.00
50.84
MOL2
O


ATOM
5102
N
THR
C
102
6.833
−48.470
−58.961
1.00
46.88
MOL2
N


ATOM
5103
CA
THR
C
102
7.312
−48.628
−57.589
1.00
41.81
MOL2
C


ATOM
5104
CB
THR
C
102
8.336
−49.750
−57.467
1.00
42.84
MOL2
C


ATOM
5105
OG1
THR
C
102
7.736
−51.009
−57.785
1.00
42.59
MOL2
O


ATOM
5106
CG2
THR
C
102
8.894
−49.770
−56.079
1.00
37.70
MOL2
C


ATOM
5107
C
THR
C
102
8.042
−47.382
−57.151
1.00
39.95
MOL2
C


ATOM
5108
O
THR
C
102
8.985
−46.964
−57.795
1.00
40.11
MOL2
O


ATOM
5109
N
LYS
C
103
7.634
−46.785
−56.049
1.00
44.42
MOL2
N


ATOM
5110
CA
LYS
C
103
8.325
−45.588
−55.613
1.00
49.42
MOL2
C


ATOM
5111
CB
LYS
C
103
7.337
−44.513
−55.133
1.00
56.28
MOL2
C


ATOM
5112
CG
LYS
C
103
7.986
−43.208
−54.646
1.00
57.48
MOL2
C


ATOM
5113
CD
LYS
C
103
6.943
−42.090
−54.455
1.00
75.34
MOL2
C


ATOM
5114
CE
LYS
C
103
6.175
−41.808
−55.767
1.00
93.46
MOL2
C


ATOM
5115
NZ
LYS
C
103
5.148
−40.707
−55.711
1.00
98.17
MOL2
N


ATOM
5116
C
LYS
C
103
9.280
−45.947
−54.505
1.00
50.29
MOL2
C


ATOM
5117
O
LYS
C
103
8.903
−46.585
−53.518
1.00
55.19
MOL2
O


ATOM
5118
N
VAL
C
104
10.529
−45.546
−54.688
1.00
46.27
MOL2
N


ATOM
5119
CA
VAL
C
104
11.556
−45.801
−53.705
1.00
42.44
MOL2
C


ATOM
5120
CB
VAL
C
104
12.848
−46.242
−54.366
1.00
41.07
MOL2
C


ATOM
5121
CG1
VAL
C
104
13.947
−46.361
−53.315
1.00
44.48
MOL2
C


ATOM
5122
CG2
VAL
C
104
12.621
−47.571
−55.066
1.00
35.63
MOL2
C


ATOM
5123
C
VAL
C
104
11.803
−44.522
−52.957
1.00
40.72
MOL2
C


ATOM
5124
O
VAL
C
104
12.099
−43.505
−53.569
1.00
38.61
MOL2
O


ATOM
5125
N
GLU
C
105
11.671
−44.576
−51.633
1.00
47.49
MOL2
N


ATOM
5126
CA
GLU
C
105
11.874
−43.407
−50.773
1.00
56.29
MOL2
C


ATOM
5127
CB
GLU
C
105
10.555
−43.003
−50.112
1.00
60.05
MOL2
C


ATOM
5128
CG
GLU
C
105
9.531
−42.530
−51.129
1.00
76.31
MOL2
C


ATOM
5129
CD
GLU
C
105
8.137
−42.380
−50.563
1.00
83.54
MOL2
C


ATOM
5130
OE1
GLU
C
105
7.564
−43.409
−50.132
1.00
85.88
MOL2
O


ATOM
5131
OE2
GLU
C
105
7.617
−41.236
−50.559
1.00
87.48
MOL2
O


ATOM
5132
C
GLU
C
105
12.924
−43.665
−49.710
1.00
56.45
MOL2
C


ATOM
5133
O
GLU
C
105
13.151
−44.807
−49.328
1.00
66.11
MOL2
O


ATOM
5134
N
ILE
C
106
13.564
−42.602
−49.233
1.00
57.45
MOL2
N


ATOM
5135
CA
ILE
C
106
14.614
−42.710
−48.210
1.00
63.29
MOL2
C


ATOM
5136
CB
ILE
C
106
15.345
−41.378
−47.985
1.00
69.09
MOL2
C


ATOM
5137
CG2
ILE
C
106
16.817
−41.562
−48.252
1.00
73.60
MOL2
C


ATOM
5138
CG1
ILE
C
106
14.701
−40.266
−48.822
1.00
75.56
MOL2
C


ATOM
5139
CD1
ILE
C
106
15.339
−38.880
−48.647
1.00
72.29
MOL2
C


ATOM
5140
C
ILE
C
106
14.116
−43.108
−46.830
1.00
62.98
MOL2
C


ATOM
5141
O
ILE
C
106
13.289
−42.409
−46.257
1.00
68.92
MOL2
O


ATOM
5142
N
LYS
C
107
14.649
−44.200
−46.283
1.00
58.93
MOL2
N


ATOM
5143
CA
LYS
C
107
14.276
−44.697
−44.946
1.00
52.34
MOL2
C


ATOM
5144
CB
LYS
C
107
14.875
−46.086
−44.728
1.00
53.80
MOL2
C


ATOM
5145
CG
LYS
C
107
14.056
−47.077
−43.939
1.00
61.17
MOL2
C


ATOM
5146
CD
LYS
C
107
13.947
−46.753
−42.471
1.00
67.82
MOL2
C


ATOM
5147
CE
LYS
C
107
13.175
−47.877
−41.744
1.00
80.85
MOL2
C


ATOM
5148
NZ
LYS
C
107
11.870
−48.278
−42.404
1.00
84.14
MOL2
N


ATOM
5149
C
LYS
C
107
14.867
−43.788
−43.888
1.00
44.89
MOL2
C


ATOM
5150
O
LYS
C
107
15.973
−43.294
−44.049
1.00
43.57
MOL2
O


ATOM
5151
N
ARG
C
108
14.149
−43.562
−42.799
1.00
47.59
MOL2
N


ATOM
5152
CA
ARG
C
108
14.698
−42.731
−41.719
1.00
53.58
MOL2
C


ATOM
5153
CB
ARG
C
108
14.588
−41.238
−42.075
1.00
54.26
MOL2
C


ATOM
5154
CG
ARG
C
108
13.184
−40.659
−42.059
1.00
55.57
MOL2
C


ATOM
5155
CD
ARG
C
108
12.876
−40.077
−40.702
1.00
58.02
MOL2
C


ATOM
5156
NE
ARG
C
108
13.231
−38.665
−40.573
1.00
56.78
MOL2
N


ATOM
5157
CZ
ARG
C
108
13.332
−38.031
−39.407
1.00
54.67
MOL2
C


ATOM
5158
NH1
ARG
C
108
13.121
−38.685
−38.273
1.00
49.50
MOL2
N


ATOM
5159
NH2
ARG
C
108
13.613
−36.737
−39.370
1.00
53.79
MOL2
N


ATOM
5160
C
ARG
C
108
14.098
−43.020
−40.322
1.00
53.05
MOL2
C


ATOM
5161
O
ARG
C
108
13.123
−43.785
−40.174
1.00
50.99
MOL2
O


ATOM
5162
N
THR
C
109
14.698
−42.434
−39.291
1.00
49.06
MOL2
N


ATOM
5163
CA
THR
C
109
14.201
−42.687
−37.943
1.00
50.32
MOL2
C


ATOM
5164
CB
THR
C
109
15.051
−42.016
−36.841
1.00
47.66
MOL2
C


ATOM
5165
OG1
THR
C
109
14.837
−40.598
−36.835
1.00
49.22
MOL2
O


ATOM
5166
CG2
THR
C
109
16.509
−42.320
−37.067
1.00
52.82
MOL2
C


ATOM
5167
C
THR
C
109
12.789
−42.197
−37.830
1.00
50.20
MOL2
C


ATOM
5168
O
THR
C
109
12.454
−41.146
−38.353
1.00
54.79
MOL2
O


ATOM
5169
N
ASP
C
110
11.954
−42.966
−37.148
1.00
50.95
MOL2
N


ATOM
5170
CA
ASP
C
110
10.557
−42.593
−36.982
1.00
53.05
MOL2
C


ATOM
5171
CB
ASP
C
110
9.814
−43.725
−36.261
1.00
55.22
MOL2
C


ATOM
5172
CG
ASP
C
110
9.661
−44.982
−37.140
1.00
65.59
MOL2
C


ATOM
5173
OD1
ASP
C
110
10.490
−45.198
−38.062
1.00
71.39
MOL2
O


ATOM
5174
OD2
ASP
C
110
8.716
−45.765
−36.905
1.00
64.73
MOL2
O


ATOM
5175
C
ASP
C
110
10.424
−41.265
−36.238
1.00
51.10
MOL2
C


ATOM
5176
O
ASP
C
110
11.309
−40.875
−35.477
1.00
50.89
MOL2
O


ATOM
5177
N
ALA
C
111
9.340
−40.544
−36.494
1.00
50.53
MOL2
N


ATOM
5178
CA
ALA
C
111
9.123
−39.268
−35.821
1.00
51.57
MOL2
C


ATOM
5179
CB
ALA
C
111
9.864
−38.157
−36.528
1.00
52.34
MOL2
C


ATOM
5180
C
ALA
C
111
7.638
−38.961
−35.759
1.00
53.06
MOL2
C


ATOM
5181
O
ALA
C
111
6.908
−39.124
−36.739
1.00
47.58
MOL2
O


ATOM
5182
N
ALA
C
112
7.203
−38.529
−34.581
1.00
53.40
MOL2
N


ATOM
5183
CA
ALA
C
112
5.814
−38.210
−34.349
1.00
50.17
MOL2
C


ATOM
5184
CB
ALA
C
112
5.564
−38.185
−32.880
1.00
55.55
MOL2
C


ATOM
5185
C
ALA
C
112
5.410
−36.880
−34.975
1.00
53.70
MOL2
C


ATOM
5186
O
ALA
C
112
6.202
−35.931
−35.052
1.00
54.34
MOL2
O


ATOM
5187
N
PRO
C
113
4.156
−36.798
−35.432
1.00
53.05
MOL2
N


ATOM
5188
CD
PRO
C
113
3.166
−37.881
−35.344
1.00
52.40
MOL2
C


ATOM
5189
CA
PRO
C
113
3.559
−35.626
−36.066
1.00
55.03
MOL2
C


ATOM
5190
CB
PRO
C
113
2.263
−36.176
−36.623
1.00
55.06
MOL2
C


ATOM
5191
CG
PRO
C
113
1.873
−37.135
−35.581
1.00
51.19
MOL2
C


ATOM
5192
C
PRO
C
113
3.284
−34.525
−35.074
1.00
59.02
MOL2
C


ATOM
5193
O
PRO
C
113
3.070
−34.785
−33.892
1.00
64.39
MOL2
O


ATOM
5194
N
THR
C
114
3.290
−33.293
−35.561
1.00
62.28
MOL2
N


ATOM
5195
CA
THR
C
114
3.000
−32.149
−34.719
1.00
66.52
MOL2
C


ATOM
5196
CB
THR
C
114
4.086
−31.088
−34.827
1.00
72.58
MOL2
C


ATOM
5197
OG1
THR
C
114
5.212
−31.486
−34.037
1.00
83.95
MOL2
O


ATOM
5198
CG2
THR
C
114
3.572
−29.752
−34.345
1.00
74.22
MOL2
C


ATOM
5199
C
THR
C
114
1.698
−31.605
−35.247
1.00
68.36
MOL2
C


ATOM
5200
O
THR
C
114
1.666
−30.956
−36.293
1.00
72.84
MOL2
O


ATOM
5201
N
VAL
C
115
0.619
−31.890
−34.527
1.00
69.64
MOL2
N


ATOM
5202
CA
VAL
C
115
−0.711
−31.454
−34.942
1.00
71.67
MOL2
C


ATOM
5203
CB
VAL
C
115
−1.792
−32.401
−34.392
1.00
68.29
MOL2
C


ATOM
5204
CG1
VAL
C
115
−3.165
−31.978
−34.883
1.00
65.89
MOL2
C


ATOM
5205
CG2
VAL
C
115
−1.494
−33.812
−34.824
1.00
68.29
MOL2
C


ATOM
5206
C
VAL
C
115
−1.083
−30.021
−34.558
1.00
76.27
MOL2
C


ATOM
5207
O
VAL
C
115
−0.536
−29.433
−33.611
1.00
80.19
MOL2
O


ATOM
5208
N
SER
C
116
−2.026
−29.468
−35.311
1.00
74.82
MOL2
N


ATOM
5209
CA
SER
C
116
−2.495
−28.117
−35.086
1.00
72.32
MOL2
C


ATOM
5210
CB
SER
C
116
−1.538
−27.122
−35.757
1.00
75.16
MOL2
C


ATOM
5211
OG
SER
C
116
−0.198
−27.312
−35.319
1.00
74.38
MOL2
O


ATOM
5212
C
SER
C
116
−3.883
−28.024
−35.700
1.00
71.04
MOL2
C


ATOM
5213
O
SER
C
116
−4.092
−28.417
−36.850
1.00
67.49
MOL2
O


ATOM
5214
N
ILE
C
117
−4.847
−27.532
−34.936
1.00
72.51
MOL2
N


ATOM
5215
CA
ILE
C
117
−6.183
−27.413
−35.496
1.00
76.85
MOL2
C


ATOM
5216
CB
ILE
C
117
−7.188
−28.294
−34.712
1.00
74.89
MOL2
C


ATOM
5217
CG2
ILE
C
117
−7.482
−27.688
−33.360
1.00
75.13
MOL2
C


ATOM
5218
CG1
ILE
C
117
−8.458
−28.482
−35.540
1.00
73.77
MOL2
C


ATOM
5219
CD1
ILE
C
117
−9.384
−29.550
−35.002
1.00
70.72
MOL2
C


ATOM
5220
C
ILE
C
117
−6.619
−25.939
−35.571
1.00
79.10
MOL2
C


ATOM
5221
O
ILE
C
117
−6.304
−25.124
−34.689
1.00
75.27
MOL2
O


ATOM
5222
N
PHE
C
118
−7.312
−25.594
−36.654
1.00
79.06
MOL2
N


ATOM
5223
CA
PHE
C
118
−7.734
−24.226
−36.841
1.00
82.93
MOL2
C


ATOM
5224
CB
PHE
C
118
−6.868
−23.600
−37.922
1.00
88.66
MOL2
C


ATOM
5225
CG
PHE
C
118
−5.412
−23.779
−37.668
1.00
92.35
MOL2
C


ATOM
5226
CD1
PHE
C
118
−4.698
−24.765
−38.319
1.00
100.70
MOL2
C


ATOM
5227
CD2
PHE
C
118
−4.770
−23.010
−36.718
1.00
94.88
MOL2
C


ATOM
5228
CE1
PHE
C
118
−3.358
−24.982
−38.022
1.00
108.64
MOL2
C


ATOM
5229
CE2
PHE
C
118
−3.436
−23.220
−36.414
1.00
102.11
MOL2
C


ATOM
5230
CZ
PHE
C
118
−2.727
−24.206
−37.065
1.00
106.08
MOL2
C


ATOM
5231
C
PHE
C
118
−9.215
−24.045
−37.125
1.00
84.79
MOL2
C


ATOM
5232
O
PHE
C
118
−9.797
−24.722
−37.981
1.00
84.33
MOL2
O


ATOM
5233
N
PRO
C
119
−9.845
−23.123
−36.378
1.00
84.75
MOL2
N


ATOM
5234
CD
PRO
C
119
−9.142
−22.344
−35.345
1.00
86.66
MOL2
C


ATOM
5235
CA
PRO
C
119
−11.260
−22.746
−36.435
1.00
82.20
MOL2
C


ATOM
5236
CB
PRO
C
119
−11.425
−21.842
−35.219
1.00
89.30
MOL2
C


ATOM
5237
CG
PRO
C
119
−10.216
−22.175
−34.332
1.00
89.26
MOL2
C


ATOM
5238
C
PRO
C
119
−11.509
−21.989
−37.719
1.00
81.90
MOL2
C


ATOM
5239
O
PRO
C
119
−10.617
−21.295
−38.211
1.00
85.94
MOL2
O


ATOM
5240
N
PRO
C
120
−12.728
−22.088
−38.266
1.00
79.18
MOL2
N


ATOM
5241
CD
PRO
C
120
−13.891
−22.740
−37.654
1.00
74.33
MOL2
C


ATOM
5242
CA
PRO
C
120
−13.109
−21.414
−39.514
1.00
83.28
MOL2
C


ATOM
5243
CB
PRO
C
120
−14.613
−21.666
−39.598
1.00
78.99
MOL2
C


ATOM
5244
CG
PRO
C
120
−14.785
−22.936
−38.853
1.00
79.17
MOL2
C


ATOM
5245
C
PRO
C
120
−12.781
−19.918
−39.496
1.00
88.69
MOL2
C


ATOM
5246
O
PRO
C
120
−13.058
−19.227
−38.512
1.00
88.57
MOL2
O


ATOM
5247
N
SER
C
121
−12.181
−19.420
−40.577
1.00
93.69
MOL2
N


ATOM
5248
CA
SER
C
121
−11.840
−18.002
−40.654
1.00
98.12
MOL2
C


ATOM
5249
CB
SER
C
121
−11.149
−17.666
−41.986
1.00
103.21
MOL2
C


ATOM
5250
OG
SER
C
121
−9.860
−18.249
−42.094
1.00
106.70
MOL2
O


ATOM
5251
C
SER
C
121
−13.130
−17.196
−40.549
1.00
99.93
MOL2
C


ATOM
5252
O
SER
C
121
−14.105
−17.485
−41.254
1.00
98.91
MOL2
O


ATOM
5253
N
SER
C
122
−13.144
−16.195
−39.669
1.00
100.00
MOL2
N


ATOM
5254
CA
SER
C
122
−14.333
−15.355
−39.516
1.00
98.46
MOL2
C


ATOM
5255
CB
SER
C
122
−14.039
−14.168
−38.593
1.00
96.67
MOL2
C


ATOM
5256
OG
SER
C
122
−13.835
−14.597
−37.260
1.00
95.18
MOL2
O


ATOM
5257
C
SER
C
122
−14.733
−14.850
−40.901
1.00
97.46
MOL2
C


ATOM
5258
O
SER
C
122
−15.912
−14.780
−41.250
1.00
95.78
MOL2
O


ATOM
5259
N
GLU
C
123
−13.719
−14.515
−41.685
1.00
95.17
MOL2
N


ATOM
5260
CA
GLU
C
123
−13.897
−14.021
−43.031
1.00
96.49
MOL2
C


ATOM
5261
CB
GLU
C
123
−12.513
−13.741
−43.626
1.00
101.06
MOL2
C


ATOM
5262
CG
GLU
C
123
−11.598
−12.872
−42.722
1.00
105.38
MOL2
C


ATOM
5263
CD
GLU
C
123
−11.419
−13.419
−41.291
1.00
107.61
MOL2
C


ATOM
5264
OE1
GLU
C
123
−11.022
−14.594
−41.134
1.00
111.76
MOL2
O


ATOM
5265
OE2
GLU
C
123
−11.670
−12.673
−40.316
1.00
103.87
MOL2
O


ATOM
5266
C
GLU
C
123
−14.656
−15.072
−43.845
1.00
97.39
MOL2
C


ATOM
5267
O
GLU
C
123
−15.453
−14.742
−44.728
1.00
97.52
MOL2
O


ATOM
5268
N
GLN
C
124
−14.414
−16.340
−43.525
1.00
97.89
MOL2
N


ATOM
5269
CA
GLN
C
124
−15.059
−17.460
−44.212
1.00
101.57
MOL2
C


ATOM
5270
CB
GLN
C
124
−14.358
−18.771
−43.837
1.00
105.91
MOL2
C


ATOM
5271
CG
GLN
C
124
−15.008
−20.006
−44.441
1.00
107.01
MOL2
C


ATOM
5272
CD
GLN
C
124
−14.364
−21.295
−43.978
1.00
103.71
MOL2
C


ATOM
5273
OE1
GLN
C
124
−14.499
−22.331
−44.631
1.00
101.30
MOL2
O


ATOM
5274
NE2
GLN
C
124
−13.673
−21.244
−42.841
1.00
99.29
MOL2
N


ATOM
5275
C
GLN
C
124
−16.529
−17.559
−43.823
1.00
99.96
MOL2
C


ATOM
5276
O
GLN
C
124
−17.417
−17.669
−44.677
1.00
94.72
MOL2
O


ATOM
5277
N
LEU
C
125
−16.750
−17.544
−42.514
1.00
100.90
MOL2
N


ATOM
5278
CA
LEU
C
125
−18.077
−17.616
−41.919
1.00
105.80
MOL2
C


ATOM
5279
CB
LEU
C
125
−18.006
−17.163
−40.460
1.00
107.11
MOL2
C


ATOM
5280
CG
LEU
C
125
−17.051
−17.885
−39.509
1.00
112.14
MOL2
C


ATOM
5281
CD1
LEU
C
125
−16.864
−17.060
−38.238
1.00
111.82
MOL2
C


ATOM
5282
CD2
LEU
C
125
−17.602
−19.270
−39.189
1.00
113.18
MOL2
C


ATOM
5283
C
LEU
C
125
−19.037
−16.693
−42.655
1.00
109.20
MOL2
C


ATOM
5284
O
LEU
C
125
−20.187
−17.050
−42.942
1.00
109.87
MOL2
O


ATOM
5285
N
THR
C
126
−18.553
−15.488
−42.939
1.00
110.02
MOL2
N


ATOM
5286
CA
THR
C
126
−19.352
−14.487
−43.627
1.00
110.15
MOL2
C


ATOM
5287
CB
THR
C
126
−18.690
−13.090
−43.555
1.00
111.30
MOL2
C


ATOM
5288
OG1
THR
C
126
−17.549
−13.055
−44.421
1.00
116.23
MOL2
O


ATOM
5289
CG2
THR
C
126
−18.240
−12.781
−42.125
1.00
110.60
MOL2
C


ATOM
5290
C
THR
C
126
−19.519
−14.880
−45.089
1.00
111.30
MOL2
C


ATOM
5291
O
THR
C
126
−19.216
−14.096
−45.991
1.00
113.98
MOL2
O


ATOM
5292
N
SER
C
127
−19.993
−16.101
−45.316
1.00
110.58
MOL2
N


ATOM
5293
CA
SER
C
127
−20.208
−16.602
−46.668
1.00
111.26
MOL2
C


ATOM
5294
CB
SER
C
127
−18.870
−16.820
−47.385
1.00
115.20
MOL2
C


ATOM
5295
OG
SER
C
127
−19.073
−17.129
−48.757
1.00
114.55
MOL2
O


ATOM
5296
C
SER
C
127
−20.980
−17.910
−46.610
1.00
110.60
MOL2
C


ATOM
5297
O
SER
C
127
−21.007
−18.672
−47.580
1.00
110.21
MOL2
O


ATOM
5298
N
GLY
C
128
−21.600
−18.166
−45.461
1.00
109.69
MOL2
N


ATOM
5299
CA
GLY
C
128
−22.384
−19.379
−45.292
1.00
110.41
MOL2
C


ATOM
5300
C
GLY
C
128
−21.583
−20.668
−45.338
1.00
108.79
MOL2
C


ATOM
5301
O
GLY
C
128
−22.125
−21.751
−45.585
1.00
107.03
MOL2
O


ATOM
5302
N
GLY
C
129
−20.283
−20.556
−45.098
1.00
106.35
MOL2
N


ATOM
5303
CA
GLY
C
129
−19.442
−21.734
−45.117
1.00
104.12
MOL2
C


ATOM
5304
C
GLY
C
129
−18.409
−21.660
−44.017
1.00
102.84
MOL2
C


ATOM
5305
O
GLY
C
129
−18.098
−20.564
−43.523
1.00
96.92
MOL2
O


ATOM
5306
N
ALA
C
130
−17.885
−22.827
−43.634
1.00
102.40
MOL2
N


ATOM
5307
CA
ALA
C
130
−16.870
−22.927
−42.582
1.00
98.21
MOL2
C


ATOM
5308
CB
ALA
C
130
−17.524
−22.848
−41.193
1.00
102.42
MOL2
C


ATOM
5309
C
ALA
C
130
−16.077
−24.222
−42.702
1.00
93.42
MOL2
C


ATOM
5310
O
ALA
C
130
−16.649
−25.302
−42.884
1.00
89.92
MOL2
O


ATOM
5311
N
SER
C
131
−14.756
−24.108
−42.607
1.00
89.44
MOL2
N


ATOM
5312
CA
SER
C
131
−13.896
−25.279
−42.684
1.00
84.50
MOL2
C


ATOM
5313
CB
SER
C
131
−13.157
−25.330
−44.023
1.00
88.74
MOL2
C


ATOM
5314
OG
SER
C
131
−14.002
−25.863
−45.031
1.00
96.57
MOL2
O


ATOM
5315
C
SER
C
131
−12.903
−25.319
−41.542
1.00
78.50
MOL2
C


ATOM
5316
O
SER
C
131
−12.319
−24.293
−41.170
1.00
74.59
MOL2
O


ATOM
5317
N
VAL
C
132
−12.745
−26.502
−40.955
1.00
74.38
MOL2
N


ATOM
5318
CA
VAL
C
132
−11.783
−26.644
−39.878
1.00
74.12
MOL2
C


ATOM
5319
CB
VAL
C
132
−12.332
−27.379
−38.674
1.00
76.94
MOL2
C


ATOM
5320
CG1
VAL
C
132
−11.266
−27.399
−37.588
1.00
73.30
MOL2
C


ATOM
5321
CG2
VAL
C
132
−13.578
−26.684
−38.170
1.00
80.37
MOL2
C


ATOM
5322
C
VAL
C
132
−10.586
−27.400
−40.411
1.00
72.25
MOL2
C


ATOM
5323
O
VAL
C
132
−10.688
−28.531
−40.890
1.00
66.86
MOL2
O


ATOM
5324
N
VAL
C
133
−9.441
−26.746
−40.331
1.00
72.51
MOL2
N


ATOM
5325
CA
VAL
C
133
−8.217
−27.310
−40.840
1.00
71.90
MOL2
C


ATOM
5326
CB
VAL
C
133
−7.479
−26.261
−41.712
1.00
70.60
MOL2
C


ATOM
5327
CG1
VAL
C
133
−6.087
−26.743
−42.083
1.00
64.45
MOL2
C


ATOM
5328
CG2
VAL
C
133
−8.301
−25.984
−42.958
1.00
64.26
MOL2
C


ATOM
5329
C
VAL
C
133
−7.318
−27.824
−39.726
1.00
75.65
MOL2
C


ATOM
5330
O
VAL
C
133
−7.151
−27.189
−38.675
1.00
71.43
MOL2
O


ATOM
5331
N
CYS
C
134
−6.751
−28.998
−39.984
1.00
78.14
MOL2
N


ATOM
5332
CA
CYS
C
134
−5.856
−29.671
−39.058
1.00
75.48
MOL2
C


ATOM
5333
C
CYS
C
134
−4.587
−30.106
−39.816
1.00
70.11
MOL2
C


ATOM
5334
O
CYS
C
134
−4.651
−30.847
−40.799
1.00
61.50
MOL2
O


ATOM
5335
CB
CYS
C
134
−6.592
−30.873
−38.461
1.00
79.82
MOL2
C


ATOM
5336
SG
CYS
C
134
−5.788
−31.675
−37.042
1.00
94.89
MOL2
S


ATOM
5337
N
PHE
C
135
−3.439
−29.612
−39.365
1.00
70.18
MOL2
N


ATOM
5338
CA
PHE
C
135
−2.160
−29.933
−39.986
1.00
69.90
MOL2
C


ATOM
5339
CB
PHE
C
135
−1.278
−28.679
−40.115
1.00
76.29
MOL2
C


ATOM
5340
CG
PHE
C
135
−1.846
−27.613
−41.011
1.00
82.52
MOL2
C


ATOM
5341
CD1
PHE
C
135
−1.694
−26.270
−40.685
1.00
81.78
MOL2
C


ATOM
5342
CD2
PHE
C
135
−2.512
−27.947
−42.185
1.00
83.39
MOL2
C


ATOM
5343
CE1
PHE
C
135
−2.194
−25.281
−41.509
1.00
85.51
MOL2
C


ATOM
5344
CE2
PHE
C
135
−3.014
−26.962
−43.016
1.00
86.16
MOL2
C


ATOM
5345
CZ
PHE
C
135
−2.855
−25.626
−42.677
1.00
90.03
MOL2
C


ATOM
5346
C
PHE
C
135
−1.415
−30.948
−39.139
1.00
66.86
MOL2
C


ATOM
5347
O
PHE
C
135
−1.311
−30.804
−37.919
1.00
64.94
MOL2
O


ATOM
5348
N
LEU
C
136
−0.906
−31.979
−39.798
1.00
64.71
MOL2
N


ATOM
5349
CA
LEU
C
136
−0.118
−33.015
−39.139
1.00
63.06
MOL2
C


ATOM
5350
CB
LEU
C
136
−0.717
−34.401
−39.409
1.00
61.67
MOL2
C


ATOM
5351
CG
LEU
C
136
−2.218
−34.640
−39.217
1.00
55.96
MOL2
C


ATOM
5352
CD1
LEU
C
136
−2.673
−34.038
−37.926
1.00
51.18
MOL2
C


ATOM
5353
CD2
LEU
C
136
−2.974
−34.029
−40.358
1.00
61.97
MOL2
C


ATOM
5354
C
LEU
C
136
1.230
−32.879
−39.840
1.00
61.45
MOL2
C


ATOM
5355
O
LEU
C
136
1.433
−33.449
−40.913
1.00
65.67
MOL2
O


ATOM
5356
N
ASN
C
137
2.149
−32.126
−39.249
1.00
58.41
MOL2
N


ATOM
5357
CA
ASN
C
137
3.420
−31.896
−39.916
1.00
64.32
MOL2
C


ATOM
5358
CB
ASN
C
137
3.778
−30.404
−39.885
1.00
70.81
MOL2
C


ATOM
5359
CG
ASN
C
137
2.629
−29.516
−40.307
1.00
75.64
MOL2
C


ATOM
5360
OD1
ASN
C
137
2.040
−29.702
−41.373
1.00
79.28
MOL2
O


ATOM
5361
ND2
ASN
C
137
2.306
−28.536
−39.470
1.00
77.18
MOL2
N


ATOM
5362
C
ASN
C
137
4.632
−32.663
−39.451
1.00
64.01
MOL2
C


ATOM
5363
O
ASN
C
137
4.753
−33.048
−38.291
1.00
67.80
MOL2
O


ATOM
5364
N
ASN
C
138
5.531
−32.865
−40.402
1.00
64.58
MOL2
N


ATOM
5365
CA
ASN
C
138
6.800
−33.516
−40.160
1.00
68.57
MOL2
C


ATOM
5366
CB
ASN
C
138
7.705
−32.506
−39.472
1.00
66.72
MOL2
C


ATOM
5367
CG
ASN
C
138
7.733
−31.195
−40.202
1.00
69.15
MOL2
C


ATOM
5368
OD1
ASN
C
138
8.169
−31.129
−41.349
1.00
71.75
MOL2
O


ATOM
5369
ND2
ASN
C
138
7.248
−30.142
−39.556
1.00
77.70
MOL2
N


ATOM
5370
C
ASN
C
138
6.767
−34.817
−39.367
1.00
69.69
MOL2
C


ATOM
5371
O
ASN
C
138
7.131
−34.840
−38.185
1.00
74.89
MOL2
O


ATOM
5372
N
PHE
C
139
6.352
−35.901
−40.013
1.00
63.17
MOL2
N


ATOM
5373
CA
PHE
C
139
6.311
−37.180
−39.330
1.00
60.21
MOL2
C


ATOM
5374
CB
PHE
C
139
4.882
−37.496
−38.912
1.00
58.82
MOL2
C


ATOM
5375
CG
PHE
C
139
3.937
−37.691
−40.050
1.00
55.93
MOL2
C


ATOM
5376
CD1
PHE
C
139
3.626
−38.967
−40.498
1.00
55.11
MOL2
C


ATOM
5377
CD2
PHE
C
139
3.298
−36.607
−40.626
1.00
55.63
MOL2
C


ATOM
5378
CE1
PHE
C
139
2.681
−39.158
−41.498
1.00
56.66
MOL2
C


ATOM
5379
CE2
PHE
C
139
2.350
−36.794
−41.631
1.00
58.47
MOL2
C


ATOM
5380
CZ
PHE
C
139
2.041
−38.070
−42.064
1.00
52.74
MOL2
C


ATOM
5381
C
PHE
C
139
6.892
−38.298
−40.180
1.00
60.49
MOL2
C


ATOM
5382
O
PHE
C
139
7.191
−38.093
−41.352
1.00
65.37
MOL2
O


ATOM
5383
N
TYR
C
140
7.057
−39.476
−39.584
1.00
56.93
MOL2
N


ATOM
5384
CA
TYR
C
140
7.640
−40.617
−40.280
1.00
50.75
MOL2
C


ATOM
5385
CB
TYR
C
140
9.164
−40.461
−40.370
1.00
53.03
MOL2
C


ATOM
5386
CG
TYR
C
140
9.813
−41.442
−41.314
1.00
56.37
MOL2
C


ATOM
5387
CD1
TYR
C
140
9.818
−41.211
−42.676
1.00
59.38
MOL2
C


ATOM
5388
CE1
TYR
C
140
10.285
−42.155
−43.565
1.00
59.29
MOL2
C


ATOM
5389
CD2
TYR
C
140
10.313
−42.650
−40.861
1.00
59.76
MOL2
C


ATOM
5390
CE2
TYR
C
140
10.784
−43.603
−41.749
1.00
59.78
MOL2
C


ATOM
5391
CZ
TYR
C
140
10.757
−43.348
−43.101
1.00
56.94
MOL2
C


ATOM
5392
OH
TYR
C
140
11.148
−44.301
−44.004
1.00
60.05
MOL2
O


ATOM
5393
C
TYR
C
140
7.349
−41.865
−39.484
1.00
50.85
MOL2
C


ATOM
5394
O
TYR
C
140
7.496
−41.871
−38.262
1.00
54.51
MOL2
O


ATOM
5395
N
PRO
C
141
6.947
−42.948
−40.157
1.00
46.94
MOL2
N


ATOM
5396
CD
PRO
C
141
6.842
−44.281
−39.555
1.00
46.87
MOL2
C


ATOM
5397
CA
PRO
C
141
6.760
−43.037
−41.598
1.00
50.29
MOL2
C


ATOM
5398
CB
PRO
C
141
6.637
−44.532
−41.838
1.00
54.32
MOL2
C


ATOM
5399
CG
PRO
C
141
6.046
−45.016
−40.589
1.00
49.13
MOL2
C


ATOM
5400
C
PRO
C
141
5.537
−42.285
−42.067
1.00
57.77
MOL2
C


ATOM
5401
O
PRO
C
141
4.907
−41.569
−41.284
1.00
58.00
MOL2
O


ATOM
5402
N
LYS
C
142
5.207
−42.469
−43.345
1.00
61.24
MOL2
N


ATOM
5403
CA
LYS
C
142
4.086
−41.794
−43.973
1.00
61.92
MOL2
C


ATOM
5404
CB
LYS
C
142
4.259
−41.804
−45.488
1.00
68.52
MOL2
C


ATOM
5405
CG
LYS
C
142
4.625
−43.160
−46.075
1.00
86.64
MOL2
C


ATOM
5406
CD
LYS
C
142
4.708
−43.117
−47.608
1.00
91.64
MOL2
C


ATOM
5407
CE
LYS
C
142
5.222
−44.440
−48.198
1.00
98.10
MOL2
C


ATOM
5408
NZ
LYS
C
142
4.341
−45.622
−47.914
1.00
102.50
MOL2
N


ATOM
5409
C
LYS
C
142
2.718
−42.331
−43.623
1.00
60.19
MOL2
C


ATOM
5410
O
LYS
C
142
1.750
−41.586
−43.648
1.00
65.75
MOL2
O


ATOM
5411
N
ASP
C
143
2.614
−43.612
−43.302
1.00
60.86
MOL2
N


ATOM
5412
CA
ASP
C
143
1.302
−44.156
−42.968
1.00
66.49
MOL2
C


ATOM
5413
CB
ASP
C
143
1.365
−45.675
−42.862
1.00
80.74
MOL2
C


ATOM
5414
CG
ASP
C
143
1.948
−46.312
−44.118
1.00
98.49
MOL2
C


ATOM
5415
OD1
ASP
C
143
1.239
−46.356
−45.150
1.00
102.89
MOL2
O


ATOM
5416
OD2
ASP
C
143
3.125
−46.752
−44.080
1.00
107.17
MOL2
O


ATOM
5417
C
ASP
C
143
0.824
−43.535
−41.674
1.00
64.02
MOL2
C


ATOM
5418
O
ASP
C
143
1.454
−43.666
−40.626
1.00
70.52
MOL2
O


ATOM
5419
N
ILE
C
144
−0.281
−42.810
−41.767
1.00
62.33
MOL2
N


ATOM
5420
CA
ILE
C
144
−0.862
−42.140
−40.607
1.00
61.79
MOL2
C


ATOM
5421
CB
ILE
C
144
−0.432
−40.688
−40.487
1.00
52.91
MOL2
C


ATOM
5422
CG2
ILE
C
144
−1.199
−39.859
−41.480
1.00
41.58
MOL2
C


ATOM
5423
CG1
ILE
C
144
−0.771
−40.168
−39.093
1.00
48.15
MOL2
C


ATOM
5424
CD1
ILE
C
144
−0.151
−38.833
−38.788
1.00
47.62
MOL2
C


ATOM
5425
C
ILE
C
144
−2.356
−42.117
−40.798
1.00
65.02
MOL2
C


ATOM
5426
O
ILE
C
144
−2.839
−42.255
−41.918
1.00
64.19
MOL2
O


ATOM
5427
N
ASN
C
145
−3.093
−41.926
−39.714
1.00
68.11
MOL2
N


ATOM
5428
CA
ASN
C
145
−4.532
−41.906
−39.837
1.00
76.59
MOL2
C


ATOM
5429
CB
ASN
C
145
−5.093
−43.281
−39.473
1.00
86.33
MOL2
C


ATOM
5430
CG
ASN
C
145
−6.573
−43.397
−39.768
1.00
100.33
MOL2
C


ATOM
5431
OD1
ASN
C
145
−7.015
−43.141
−40.894
1.00
108.69
MOL2
O


ATOM
5432
ND2
ASN
C
145
−7.353
−43.782
−38.757
1.00
104.92
MOL2
N


ATOM
5433
C
ASN
C
145
−5.179
−40.806
−38.999
1.00
79.08
MOL2
C


ATOM
5434
O
ASN
C
145
−4.922
−40.676
−37.794
1.00
81.54
MOL2
O


ATOM
5435
N
VAL
C
146
−6.023
−40.013
−39.657
1.00
78.50
MOL2
N


ATOM
5436
CA
VAL
C
146
−6.703
−38.898
−39.012
1.00
77.82
MOL2
C


ATOM
5437
CB
VAL
C
146
−6.609
−37.632
−39.884
1.00
75.85
MOL2
C


ATOM
5438
CG1
VAL
C
146
−7.477
−37.790
−41.121
1.00
77.98
MOL2
C


ATOM
5439
CG2
VAL
C
146
−7.012
−36.422
−39.085
1.00
76.44
MOL2
C


ATOM
5440
C
VAL
C
146
−8.170
−39.222
−38.757
1.00
79.53
MOL2
C


ATOM
5441
O
VAL
C
146
−8.844
−39.818
−39.601
1.00
79.89
MOL2
O


ATOM
5442
N
LYS
C
147
−8.651
−38.821
−37.583
1.00
83.36
MOL2
N


ATOM
5443
CA
LYS
C
147
−10.031
−39.056
−37.166
1.00
84.28
MOL2
C


ATOM
5444
CB
LYS
C
147
−10.034
−40.026
−35.978
1.00
90.58
MOL2
C


ATOM
5445
CG
LYS
C
147
−11.297
−40.862
−35.799
1.00
100.75
MOL2
C


ATOM
5446
CD
LYS
C
147
−11.402
−41.970
−36.854
1.00
106.03
MOL2
C


ATOM
5447
CE
LYS
C
147
−12.371
−43.079
−36.418
1.00
106.05
MOL2
C


ATOM
5448
NZ
LYS
C
147
−11.915
−43.811
−35.193
1.00
99.23
MOL2
N


ATOM
5449
C
LYS
C
147
−10.648
−37.718
−36.730
1.00
83.61
MOL2
C


ATOM
5450
O
LYS
C
147
−10.072
−37.000
−35.896
1.00
79.83
MOL2
O


ATOM
5451
N
TRP
C
148
−11.806
−37.385
−37.299
1.00
82.15
MOL2
N


ATOM
5452
CA
TRP
C
148
−12.518
−36.148
−36.961
1.00
82.38
MOL2
C


ATOM
5453
CB
TRP
C
148
−13.112
−35.510
−38.223
1.00
79.87
MOL2
C


ATOM
5454
CG
TRP
C
148
−12.131
−34.739
−39.039
1.00
78.56
MOL2
C


ATOM
5455
CD2
TRP
C
148
−11.536
−33.488
−38.691
1.00
74.63
MOL2
C


ATOM
5456
CE2
TRP
C
148
−10.660
−33.138
−39.733
1.00
75.12
MOL2
C


ATOM
5457
CE3
TRP
C
148
−11.660
−32.629
−37.597
1.00
75.81
MOL2
C


ATOM
5458
CD1
TRP
C
148
−11.607
−35.090
−40.252
1.00
75.00
MOL2
C


ATOM
5459
NE1
TRP
C
148
−10.722
−34.132
−40.675
1.00
71.58
MOL2
N


ATOM
5460
CZ2
TRP
C
148
−9.910
−31.965
−39.711
1.00
78.98
MOL2
C


ATOM
5461
CZ3
TRP
C
148
−10.918
−31.469
−37.576
1.00
77.16
MOL2
C


ATOM
5462
CH2
TRP
C
148
−10.052
−31.146
−38.626
1.00
80.07
MOL2
C


ATOM
5463
C
TRP
C
148
−13.662
−36.422
−35.978
1.00
86.86
MOL2
C


ATOM
5464
O
TRP
C
148
−14.372
−37.429
−36.105
1.00
86.90
MOL2
O


ATOM
5465
N
LYS
C
149
−13.851
−35.532
−35.005
1.00
88.93
MOL2
N


ATOM
5466
CA
LYS
C
149
−14.933
−35.708
−34.040
1.00
89.42
MOL2
C


ATOM
5467
CB
LYS
C
149
−14.421
−36.397
−32.765
1.00
91.44
MOL2
C


ATOM
5468
CG
LYS
C
149
−14.301
−37.924
−32.862
1.00
92.37
MOL2
C


ATOM
5469
CD
LYS
C
149
−13.833
−38.516
−31.527
1.00
97.01
MOL2
C


ATOM
5470
CE
LYS
C
149
−13.685
−40.035
−31.572
1.00
94.56
MOL2
C


ATOM
5471
NZ
LYS
C
149
−13.188
−40.560
−30.266
1.00
92.95
MOL2
N


ATOM
5472
C
LYS
C
149
−15.657
−34.408
−33.676
1.00
91.10
MOL2
C


ATOM
5473
O
LYS
C
149
−15.070
−33.467
−33.120
1.00
88.06
MOL2
O


ATOM
5474
N
ILE
C
150
−16.944
−34.378
−34.018
1.00
93.01
MOL2
N


ATOM
5475
CA
ILE
C
150
−17.832
−33.246
−33.742
1.00
92.66
MOL2
C


ATOM
5476
CB
ILE
C
150
−18.829
−33.022
−34.928
1.00
88.95
MOL2
C


ATOM
5477
CG2
ILE
C
150
−18.145
−32.293
−36.070
1.00
82.58
MOL2
C


ATOM
5478
CG1
ILE
C
150
−19.378
−34.372
−35.410
1.00
85.89
MOL2
C


ATOM
5479
CD1
ILE
C
150
−20.283
−34.287
−36.620
1.00
82.92
MOL2
C


ATOM
5480
C
ILE
C
150
−18.627
−33.578
−32.471
1.00
93.45
MOL2
C


ATOM
5481
O
ILE
C
150
−19.451
−34.498
−32.470
1.00
92.06
MOL2
O


ATOM
5482
N
ASP
C
151
−18.378
−32.836
−31.395
1.00
95.21
MOL2
N


ATOM
5483
CA
ASP
C
151
−19.063
−33.075
−30.128
1.00
103.28
MOL2
C


ATOM
5484
CB
ASP
C
151
−20.524
−32.594
−30.198
1.00
115.41
MOL2
C


ATOM
5485
CG
ASP
C
151
−20.695
−31.151
−29.712
1.00
123.70
MOL2
C


ATOM
5486
OD1
ASP
C
151
−20.264
−30.842
−28.575
1.00
125.67
MOL2
O


ATOM
5487
OD2
ASP
C
151
−21.266
−30.331
−30.463
1.00
127.57
MOL2
O


ATOM
5488
C
ASP
C
151
−19.004
−34.541
−29.673
1.00
102.98
MOL2
C


ATOM
5489
O
ASP
C
151
−19.953
−35.064
−29.070
1.00
103.40
MOL2
O


ATOM
5490
N
GLY
C
152
−17.886
−35.203
−29.968
1.00
99.06
MOL2
N


ATOM
5491
CA
GLY
C
152
−17.721
−36.583
−29.544
1.00
96.11
MOL2
C


ATOM
5492
C
GLY
C
152
−17.970
−37.689
−30.553
1.00
94.54
MOL2
C


ATOM
5493
O
GLY
C
152
−17.555
−38.829
−30.333
1.00
95.10
MOL2
O


ATOM
5494
N
SER
C
153
−18.648
−37.382
−31.651
1.00
93.68
MOL2
N


ATOM
5495
CA
SER
C
153
−18.911
−38.406
−32.651
1.00
97.25
MOL2
C


ATOM
5496
CB
SER
C
153
−20.401
−38.398
−33.043
1.00
102.40
MOL2
C


ATOM
5497
OG
SER
C
153
−20.879
−37.091
−33.319
1.00
104.42
MOL2
O


ATOM
5498
C
SER
C
153
−18.011
−38.290
−33.891
1.00
98.07
MOL2
C


ATOM
5499
O
SER
C
153
−17.672
−37.193
−34.351
1.00
94.93
MOL2
O


ATOM
5500
N
GLU
C
154
−17.621
−39.448
−34.412
1.00
99.80
MOL2
N


ATOM
5501
CA
GLU
C
154
−16.760
−39.555
−35.586
1.00
101.67
MOL2
C


ATOM
5502
CB
GLU
C
154
−16.365
−41.028
−35.789
1.00
112.22
MOL2
C


ATOM
5503
CG
GLU
C
154
−17.573
−41.987
−35.942
1.00
122.85
MOL2
C


ATOM
5504
CD
GLU
C
154
−17.182
−43.460
−36.123
1.00
128.93
MOL2
C


ATOM
5505
OE1
GLU
C
154
−18.094
−44.311
−36.263
1.00
128.05
MOL2
O


ATOM
5506
OE2
GLU
C
154
−15.969
−43.768
−36.125
1.00
132.10
MOL2
O


ATOM
5507
C
GLU
C
154
−17.422
−39.049
−36.867
1.00
100.46
MOL2
C


ATOM
5508
O
GLU
C
154
−18.530
−39.473
−37.212
1.00
95.86
MOL2
O


ATOM
5509
N
ARG
C
155
−16.752
−38.147
−37.576
1.00
101.89
MOL2
N


ATOM
5510
CA
ARG
C
155
−17.303
−37.664
−38.834
1.00
104.81
MOL2
C


ATOM
5511
CB
ARG
C
155
−17.558
−36.153
−38.794
1.00
115.43
MOL2
C


ATOM
5512
CG
ARG
C
155
−18.542
−35.687
−39.879
1.00
124.32
MOL2
C


ATOM
5513
CD
ARG
C
155
−19.678
−36.706
−40.048
1.00
130.47
MOL2
C


ATOM
5514
NE
ARG
C
155
−20.698
−36.285
−41.007
1.00
133.53
MOL2
N


ATOM
5515
CZ
ARG
C
155
−21.548
−37.114
−41.609
1.00
135.26
MOL2
C


ATOM
5516
NH1
ARG
C
155
−21.503
−38.421
−41.360
1.00
135.19
MOL2
N


ATOM
5517
NH2
ARG
C
155
−22.452
−36.636
−42.454
1.00
132.94
MOL2
N


ATOM
5518
C
ARG
C
155
−16.334
−38.018
−39.953
1.00
102.03
MOL2
C


ATOM
5519
O
ARG
C
155
−15.115
−37.886
−39.796
1.00
100.80
MOL2
O


ATOM
5520
N
GLN
C
156
−16.872
−38.496
−41.073
1.00
99.85
MOL2
N


ATOM
5521
CA
GLN
C
156
−16.021
−38.870
−42.194
1.00
102.60
MOL2
C


ATOM
5522
CB
GLN
C
156
−16.088
−40.395
−42.429
1.00
106.25
MOL2
C


ATOM
5523
CG
GLN
C
156
−17.039
−40.858
−43.537
1.00
113.94
MOL2
C


ATOM
5524
CD
GLN
C
156
−16.388
−40.889
−44.922
1.00
117.43
MOL2
C


ATOM
5525
OE1
GLN
C
156
−17.072
−41.043
−45.941
1.00
117.35
MOL2
O


ATOM
5526
NE2
GLN
C
156
−15.063
−40.756
−44.960
1.00
120.20
MOL2
N


ATOM
5527
C
GLN
C
156
−16.382
−38.098
−43.471
1.00
101.69
MOL2
C


ATOM
5528
O
GLN
C
156
−15.495
−37.649
−44.211
1.00
102.59
MOL2
O


ATOM
5529
N
ASN
C
157
−17.673
−37.919
−43.730
1.00
98.72
MOL2
N


ATOM
5530
CA
ASN
C
157
−18.057
−37.207
−44.936
1.00
98.32
MOL2
C


ATOM
5531
CB
ASN
C
157
−19.551
−37.377
−45.217
1.00
105.31
MOL2
C


ATOM
5532
CG
ASN
C
157
−19.926
−38.823
−45.526
1.00
113.27
MOL2
C


ATOM
5533
OD1
ASN
C
157
−19.856
−39.694
−44.655
1.00
119.33
MOL2
O


ATOM
5534
ND2
ASN
C
157
−20.320
−39.085
−46.771
1.00
116.14
MOL2
N


ATOM
5535
C
ASN
C
157
−17.679
−35.737
−44.852
1.00
96.79
MOL2
C


ATOM
5536
O
ASN
C
157
−17.705
−35.126
−43.775
1.00
93.05
MOL2
O


ATOM
5537
N
GLY
C
158
−17.300
−35.184
−46.001
1.00
95.37
MOL2
N


ATOM
5538
CA
GLY
C
158
−16.906
−33.789
−46.060
1.00
93.14
MOL2
C


ATOM
5539
C
GLY
C
158
−15.480
−33.578
−45.592
1.00
91.67
MOL2
C


ATOM
5540
O
GLY
C
158
−15.116
−32.478
−45.165
1.00
95.46
MOL2
O


ATOM
5541
N
VAL
C
159
−14.669
−34.629
−45.669
1.00
85.73
MOL2
N


ATOM
5542
CA
VAL
C
159
−13.281
−34.540
−45.245
1.00
82.29
MOL2
C


ATOM
5543
CB
VAL
C
159
−12.945
−35.652
−44.238
1.00
83.40
MOL2
C


ATOM
5544
CG1
VAL
C
159
−11.493
−35.546
−43.819
1.00
88.32
MOL2
C


ATOM
5545
CG2
VAL
C
159
−13.848
−35.545
−43.025
1.00
82.27
MOL2
C


ATOM
5546
C
VAL
C
159
−12.352
−34.678
−46.436
1.00
79.59
MOL2
C


ATOM
5547
O
VAL
C
159
−12.479
−35.624
−47.209
1.00
81.26
MOL2
O


ATOM
5548
N
LEU
C
160
−11.428
−33.734
−46.588
1.00
77.19
MOL2
N


ATOM
5549
CA
LEU
C
160
−10.471
−33.789
−47.688
1.00
78.45
MOL2
C


ATOM
5550
CB
LEU
C
160
−10.703
−32.652
−48.678
1.00
81.34
MOL2
C


ATOM
5551
CG
LEU
C
160
−11.919
−32.873
−49.574
1.00
85.85
MOL2
C


ATOM
5552
CD1
LEU
C
160
−11.724
−32.078
−50.861
1.00
88.04
MOL2
C


ATOM
5553
CD2
LEU
C
160
−12.084
−34.361
−49.888
1.00
80.45
MOL2
C


ATOM
5554
C
LEU
C
160
−9.037
−33.752
−47.190
1.00
79.38
MOL2
C


ATOM
5555
O
LEU
C
160
−8.625
−32.838
−46.459
1.00
79.90
MOL2
O


ATOM
5556
N
ASN
C
161
−8.266
−34.748
−47.606
1.00
75.54
MOL2
N


ATOM
5557
CA
ASN
C
161
−6.894
−34.827
−47.167
1.00
73.49
MOL2
C


ATOM
5558
CB
ASN
C
161
−6.724
−36.137
−46.418
1.00
77.61
MOL2
C


ATOM
5559
CG
ASN
C
161
−7.811
−36.337
−45.382
1.00
77.08
MOL2
C


ATOM
5560
OD1
ASN
C
161
−8.011
−35.489
−44.510
1.00
74.15
MOL2
O


ATOM
5561
ND2
ASN
C
161
−8.528
−37.452
−45.478
1.00
76.33
MOL2
N


ATOM
5562
C
ASN
C
161
−5.895
−34.680
−48.305
1.00
70.79
MOL2
C


ATOM
5563
O
ASN
C
161
−6.196
−34.991
−49.460
1.00
70.84
MOL2
O


ATOM
5564
N
SER
C
162
−4.714
−34.179
−47.960
1.00
66.45
MOL2
N


ATOM
5565
CA
SER
C
162
−3.646
−33.957
−48.917
1.00
69.71
MOL2
C


ATOM
5566
CB
SER
C
162
−3.715
−32.526
−49.440
1.00
74.54
MOL2
C


ATOM
5567
OG
SER
C
162
−2.530
−32.176
−50.132
1.00
82.17
MOL2
O


ATOM
5568
C
SER
C
162
−2.307
−34.175
−48.239
1.00
71.75
MOL2
C


ATOM
5569
O
SER
C
162
−2.013
−33.536
−47.228
1.00
75.21
MOL2
O


ATOM
5570
N
TRP
C
163
−1.489
−35.060
−48.801
1.00
70.73
MOL2
N


ATOM
5571
CA
TRP
C
163
−0.181
−35.358
−48.226
1.00
68.71
MOL2
C


ATOM
5572
CB
TRP
C
163
−0.054
−36.864
−48.056
1.00
74.55
MOL2
C


ATOM
5573
CG
TRP
C
163
−1.266
−37.475
−47.441
1.00
79.91
MOL2
C


ATOM
5574
CD2
TRP
C
163
−2.469
−37.843
−48.118
1.00
81.33
MOL2
C


ATOM
5575
CE2
TRP
C
163
−3.340
−38.391
−47.152
1.00
83.58
MOL2
C


ATOM
5576
CE3
TRP
C
163
−2.896
−37.765
−49.447
1.00
86.25
MOL2
C


ATOM
5577
CD1
TRP
C
163
−1.448
−37.799
−46.127
1.00
80.97
MOL2
C


ATOM
5578
NE1
TRP
C
163
−2.690
−38.353
−45.946
1.00
80.59
MOL2
N


ATOM
5579
CZ2
TRP
C
163
−4.615
−38.862
−47.472
1.00
87.30
MOL2
C


ATOM
5580
CZ3
TRP
C
163
−4.167
−38.236
−49.768
1.00
92.21
MOL2
C


ATOM
5581
CH2
TRP
C
163
−5.010
−38.777
−48.783
1.00
90.22
MOL2
C


ATOM
5582
C
TRP
C
163
0.951
−34.840
−49.107
1.00
61.85
MOL2
C


ATOM
5583
O
TRP
C
163
0.816
−34.778
−50.319
1.00
65.33
MOL2
O


ATOM
5584
N
THR
C
164
2.070
−34.470
−48.506
1.00
55.65
MOL2
N


ATOM
5585
CA
THR
C
164
3.194
−33.992
−49.292
1.00
56.35
MOL2
C


ATOM
5586
CB
THR
C
164
3.838
−32.807
−48.622
1.00
53.31
MOL2
C


ATOM
5587
OG1
THR
C
164
4.522
−33.230
−47.432
1.00
41.23
MOL2
O


ATOM
5588
CG2
THR
C
164
2.774
−31.816
−48.260
1.00
56.03
MOL2
C


ATOM
5589
C
THR
C
164
4.245
−35.088
−49.476
1.00
65.48
MOL2
C


ATOM
5590
O
THR
C
164
4.087
−36.206
−48.977
1.00
69.34
MOL2
O


ATOM
5591
N
ASP
C
165
5.319
−34.779
−50.193
1.00
69.90
MOL2
N


ATOM
5592
CA
ASP
C
165
6.356
−35.772
−50.406
1.00
74.84
MOL2
C


ATOM
5593
CB
ASP
C
165
6.834
−35.720
−51.848
1.00
89.04
MOL2
C


ATOM
5594
CG
ASP
C
165
5.751
−36.151
−52.825
1.00
103.78
MOL2
C


ATOM
5595
OD1
ASP
C
165
5.047
−37.148
−52.521
1.00
102.42
MOL2
O


ATOM
5596
OD2
ASP
C
165
5.609
−35.502
−53.892
1.00
113.76
MOL2
O


ATOM
5597
C
ASP
C
165
7.514
−35.596
−49.444
1.00
71.07
MOL2
C


ATOM
5598
O
ASP
C
165
7.635
−34.570
−48.790
1.00
69.30
MOL2
O


ATOM
5599
N
GLN
C
166
8.352
−36.617
−49.340
1.00
67.93
MOL2
N


ATOM
5600
CA
GLN
C
166
9.495
−36.563
−48.443
1.00
70.95
MOL2
C


ATOM
5601
CB
GLN
C
166
10.494
−37.653
−48.845
1.00
75.14
MOL2
C


ATOM
5602
CG
GLN
C
166
11.259
−38.271
−47.694
1.00
69.86
MOL2
C


ATOM
5603
CD
GLN
C
166
11.247
−39.774
−47.778
1.00
73.46
MOL2
C


ATOM
5604
OE1
GLN
C
166
10.985
−40.451
−46.791
1.00
74.44
MOL2
O


ATOM
5605
NE2
GLN
C
166
11.523
−40.311
−48.966
1.00
71.21
MOL2
N


ATOM
5606
C
GLN
C
166
10.177
−35.183
−48.472
1.00
69.79
MOL2
C


ATOM
5607
O
GLN
C
166
10.872
−34.842
−49.426
1.00
73.54
MOL2
O


ATOM
5608
N
ASP
C
167
9.980
−34.395
−47.423
1.00
65.97
MOL2
N


ATOM
5609
CA
ASP
C
167
10.571
−33.069
−47.341
1.00
70.13
MOL2
C


ATOM
5610
CB
ASP
C
167
10.181
−32.413
−46.005
1.00
77.64
MOL2
C


ATOM
5611
CG
ASP
C
167
10.426
−30.896
−45.981
1.00
83.32
MOL2
C


ATOM
5612
OD1
ASP
C
167
9.714
−30.161
−46.709
1.00
84.29
MOL2
O


ATOM
5613
OD2
ASP
C
167
11.324
−30.442
−45.228
1.00
76.26
MOL2
O


ATOM
5614
C
ASP
C
167
12.088
−33.127
−47.465
1.00
72.07
MOL2
C


ATOM
5615
O
ASP
C
167
12.775
−33.505
−46.527
1.00
70.94
MOL2
O


ATOM
5616
N
SER
C
168
12.592
−32.741
−48.631
1.00
79.29
MOL2
N


ATOM
5617
CA
SER
C
168
14.025
−32.704
−48.936
1.00
88.10
MOL2
C


ATOM
5618
CB
SER
C
168
14.262
−31.612
−49.976
1.00
93.34
MOL2
C


ATOM
5619
OG
SER
C
168
13.535
−30.441
−49.622
1.00
98.24
MOL2
O


ATOM
5620
C
SER
C
168
14.979
−32.486
−47.749
1.00
89.30
MOL2
C


ATOM
5621
O
SER
C
168
16.055
−33.097
−47.683
1.00
91.01
MOL2
O


ATOM
5622
N
LYS
C
169
14.587
−31.611
−46.825
1.00
88.09
MOL2
N


ATOM
5623
CA
LYS
C
169
15.400
−31.303
−45.649
1.00
92.44
MOL2
C


ATOM
5624
CB
LYS
C
169
14.773
−30.140
−44.879
1.00
100.12
MOL2
C


ATOM
5625
CG
LYS
C
169
14.461
−28.908
−45.715
1.00
116.06
MOL2
C


ATOM
5626
CD
LYS
C
169
13.644
−27.890
−44.907
1.00
126.27
MOL2
C


ATOM
5627
CE
LYS
C
169
13.220
−26.682
−45.747
1.00
128.00
MOL2
C


ATOM
5628
NZ
LYS
C
169
12.237
−25.821
−45.023
1.00
129.09
MOL2
N


ATOM
5629
C
LYS
C
169
15.571
−32.482
−44.677
1.00
90.77
MOL2
C


ATOM
5630
O
LYS
C
169
16.654
−33.078
−44.572
1.00
93.81
MOL2
O


ATOM
5631
N
ASP
C
170
14.484
−32.803
−43.977
1.00
82.39
MOL2
N


ATOM
5632
CA
ASP
C
170
14.441
−33.866
−42.969
1.00
71.05
MOL2
C


ATOM
5633
CB
ASP
C
170
13.663
−33.344
−41.763
1.00
69.29
MOL2
C


ATOM
5634
CG
ASP
C
170
12.240
−32.947
−42.127
1.00
68.19
MOL2
C


ATOM
5635
OD1
ASP
C
170
11.489
−32.485
−41.239
1.00
60.97
MOL2
O


ATOM
5636
OD2
ASP
C
170
11.873
−33.106
−43.313
1.00
63.76
MOL2
O


ATOM
5637
C
ASP
C
170
13.815
−35.200
−43.429
1.00
65.02
MOL2
C


ATOM
5638
O
ASP
C
170
13.528
−36.080
−42.619
1.00
60.81
MOL2
O


ATOM
5639
N
SER
C
171
13.578
−35.333
−44.722
1.00
59.46
MOL2
N


ATOM
5640
CA
SER
C
171
13.022
−36.553
−45.270
1.00
54.15
MOL2
C


ATOM
5641
CB
SER
C
171
14.138
−37.597
−45.292
1.00
51.78
MOL2
C


ATOM
5642
OG
SER
C
171
15.347
−36.995
−45.758
1.00
42.36
MOL2
O


ATOM
5643
C
SER
C
171
11.754
−37.064
−44.563
1.00
51.92
MOL2
C


ATOM
5644
O
SER
C
171
11.426
−38.243
−44.642
1.00
54.05
MOL2
O


ATOM
5645
N
THR
C
172
11.031
−36.157
−43.901
1.00
51.32
MOL2
N


ATOM
5646
CA
THR
C
172
9.772
−36.480
−43.197
1.00
54.67
MOL2
C


ATOM
5647
CB
THR
C
172
9.515
−35.542
−42.014
1.00
59.05
MOL2
C


ATOM
5648
OG1
THR
C
172
9.148
−34.247
−42.520
1.00
59.61
MOL2
O


ATOM
5649
CG2
THR
C
172
10.749
−35.422
−41.132
1.00
62.03
MOL2
C


ATOM
5650
C
THR
C
172
8.553
−36.284
−44.103
1.00
52.87
MOL2
C


ATOM
5651
O
THR
C
172
8.685
−35.951
−45.270
1.00
63.57
MOL2
O


ATOM
5652
N
TYR
C
173
7.358
−36.465
−43.557
1.00
48.76
MOL2
N


ATOM
5653
CA
TYR
C
173
6.135
−36.276
−44.331
1.00
49.61
MOL2
C


ATOM
5654
CB
TYR
C
173
5.379
−37.598
−44.470
1.00
47.69
MOL2
C


ATOM
5655
CG
TYR
C
173
6.084
−38.569
−45.370
1.00
58.69
MOL2
C


ATOM
5656
CD1
TYR
C
173
7.430
−38.840
−45.194
1.00
65.87
MOL2
C


ATOM
5657
CE1
TYR
C
173
8.131
−39.643
−46.075
1.00
67.64
MOL2
C


ATOM
5658
CD2
TYR
C
173
5.444
−39.145
−46.450
1.00
64.37
MOL2
C


ATOM
5659
CE2
TYR
C
173
6.140
−39.959
−47.341
1.00
69.47
MOL2
C


ATOM
5660
CZ
TYR
C
173
7.488
−40.194
−47.145
1.00
67.62
MOL2
C


ATOM
5661
OH
TYR
C
173
8.222
−40.938
−48.034
1.00
72.08
MOL2
O


ATOM
5662
C
TYR
C
173
5.251
−35.249
−43.636
1.00
54.70
MOL2
C


ATOM
5663
O
TYR
C
173
5.546
−34.820
−42.520
1.00
58.65
MOL2
O


ATOM
5664
N
SER
C
174
4.175
−34.841
−44.301
1.00
55.44
MOL2
N


ATOM
5665
CA
SER
C
174
3.233
−33.882
−43.725
1.00
51.27
MOL2
C


ATOM
5666
CB
SER
C
174
3.734
−32.449
−43.893
1.00
51.27
MOL2
C


ATOM
5667
OG
SER
C
174
4.931
−32.233
−43.160
1.00
52.62
MOL2
O


ATOM
5668
C
SER
C
174
1.885
−34.051
−44.395
1.00
50.66
MOL2
C


ATOM
5669
O
SER
C
174
1.804
−34.427
−45.569
1.00
49.82
MOL2
O


ATOM
5670
N
MET
C
175
0.825
−33.791
−43.643
1.00
53.28
MOL2
N


ATOM
5671
CA
MET
C
175
−0.531
−33.941
−44.169
1.00
61.42
MOL2
C


ATOM
5672
CB
MET
C
175
−1.126
−35.277
−43.738
1.00
56.48
MOL2
C


ATOM
5673
CG
MET
C
175
−2.586
−35.392
−44.081
1.00
50.77
MOL2
C


ATOM
5674
SD
MET
C
175
−3.360
−36.575
−43.020
1.00
66.93
MOL2
S


ATOM
5675
CE
MET
C
175
−4.501
−37.411
−44.143
1.00
53.52
MOL2
C


ATOM
5676
C
MET
C
175
−1.470
−32.833
−43.708
1.00
64.71
MOL2
C


ATOM
5677
O
MET
C
175
−1.327
−32.312
−42.599
1.00
69.75
MOL2
O


ATOM
5678
N
SER
C
176
−2.442
−32.491
−44.549
1.00
62.56
MOL2
N


ATOM
5679
CA
SER
C
176
−3.388
−31.440
−44.203
1.00
68.23
MOL2
C


ATOM
5680
CB
SER
C
176
−3.102
−30.187
−45.050
1.00
72.17
MOL2
C


ATOM
5681
OG
SER
C
176
−3.896
−29.081
−44.649
1.00
75.40
MOL2
O


ATOM
5682
C
SER
C
176
−4.847
−31.879
−44.375
1.00
70.83
MOL2
C


ATOM
5683
O
SER
C
176
−5.383
−31.908
−45.492
1.00
72.93
MOL2
O


ATOM
5684
N
SER
C
177
−5.490
−32.223
−43.262
1.00
71.42
MOL2
N


ATOM
5685
CA
SER
C
177
−6.890
−32.635
−43.312
1.00
70.80
MOL2
C


ATOM
5686
CB
SER
C
177
−7.183
−33.735
−42.296
1.00
66.64
MOL2
C


ATOM
5687
OG
SER
C
177
−8.517
−34.185
−42.443
1.00
57.08
MOL2
O


ATOM
5688
C
SER
C
177
−7.799
−31.438
−43.037
1.00
73.96
MOL2
C


ATOM
5689
O
SER
C
177
−7.594
−30.681
−42.081
1.00
70.44
MOL2
O


ATOM
5690
N
THR
C
178
−8.805
−31.267
−43.888
1.00
79.89
MOL2
N


ATOM
5691
CA
THR
C
178
−9.736
−30.153
−43.736
1.00
83.31
MOL2
C


ATOM
5692
CB
THR
C
178
−9.576
−29.107
−44.884
1.00
89.72
MOL2
C


ATOM
5693
OG1
THR
C
178
−8.203
−28.704
−44.989
1.00
98.13
MOL2
O


ATOM
5694
CG2
THR
C
178
−10.426
−27.878
−44.606
1.00
86.77
MOL2
C


ATOM
5695
C
THR
C
178
−11.193
−30.620
−43.694
1.00
81.67
MOL2
C


ATOM
5696
O
THR
C
178
−11.696
−31.244
−44.642
1.00
75.38
MOL2
O


ATOM
5697
N
LEU
C
179
−11.861
−30.327
−42.578
1.00
82.75
MOL2
N


ATOM
5698
CA
LEU
C
179
−13.267
−30.688
−42.426
1.00
83.11
MOL2
C


ATOM
5699
CB
LEU
C
179
−13.638
−30.983
−40.974
1.00
79.30
MOL2
C


ATOM
5700
CG
LEU
C
179
−14.785
−32.000
−40.909
1.00
73.97
MOL2
C


ATOM
5701
CD1
LEU
C
179
−15.327
−32.017
−39.512
1.00
73.79
MOL2
C


ATOM
5702
CD2
LEU
C
179
−15.884
−31.665
−41.912
1.00
61.79
MOL2
C


ATOM
5703
C
LEU
C
179
−14.095
−29.511
−42.904
1.00
84.35
MOL2
C


ATOM
5704
O
LEU
C
179
−14.118
−28.453
−42.267
1.00
81.74
MOL2
O


ATOM
5705
N
THR
C
180
−14.773
−29.707
−44.028
1.00
83.44
MOL2
N


ATOM
5706
CA
THR
C
180
−15.598
−28.673
−44.613
1.00
85.77
MOL2
C


ATOM
5707
CB
THR
C
180
−15.359
−28.592
−46.158
1.00
88.62
MOL2
C


ATOM
5708
OG1
THR
C
180
−16.342
−27.747
−46.763
1.00
86.12
MOL2
O


ATOM
5709
CG2
THR
C
180
−15.426
−29.975
−46.799
1.00
92.07
MOL2
C


ATOM
5710
C
THR
C
180
−17.069
−28.931
−44.315
1.00
89.54
MOL2
C


ATOM
5711
O
THR
C
180
−17.636
−29.952
−44.713
1.00
87.13
MOL2
O


ATOM
5712
N
LEU
C
181
−17.675
−28.001
−43.586
1.00
95.28
MOL2
N


ATOM
5713
CA
LEU
C
181
−19.087
−28.100
−43.247
1.00
100.55
MOL2
C


ATOM
5714
CB
LEU
C
181
−19.253
−28.373
−41.744
1.00
101.03
MOL2
C


ATOM
5715
CG
LEU
C
181
−18.023
−28.175
−40.848
1.00
101.25
MOL2
C


ATOM
5716
CD1
LEU
C
181
−17.724
−26.683
−40.687
1.00
98.19
MOL2
C


ATOM
5717
CD2
LEU
C
181
−18.277
−28.825
−39.491
1.00
97.16
MOL2
C


ATOM
5718
C
LEU
C
181
−19.816
−26.819
−43.671
1.00
104.10
MOL2
C


ATOM
5719
O
LEU
C
181
−19.203
−25.888
−44.214
1.00
102.19
MOL2
O


ATOM
5720
N
THR
C
182
−21.129
−26.786
−43.463
1.00
108.71
MOL2
N


ATOM
5721
CA
THR
C
182
−21.913
−25.604
−43.813
1.00
111.41
MOL2
C


ATOM
5722
CB
THR
C
182
−23.308
−25.961
−44.372
1.00
113.22
MOL2
C


ATOM
5723
OG1
THR
C
182
−24.150
−26.433
−43.309
1.00
114.49
MOL2
O


ATOM
5724
CG2
THR
C
182
−23.183
−27.028
−45.453
1.00
111.82
MOL2
C


ATOM
5725
C
THR
C
182
−22.103
−24.784
−42.546
1.00
112.00
MOL2
C


ATOM
5726
O
THR
C
182
−22.343
−25.336
−41.471
1.00
111.30
MOL2
O


ATOM
5727
N
LYS
C
183
−21.985
−23.469
−42.672
1.00
113.84
MOL2
N


ATOM
5728
CA
LYS
C
183
−22.141
−22.578
−41.528
1.00
116.17
MOL2
C


ATOM
5729
CB
LYS
C
183
−22.474
−21.164
−42.017
1.00
122.32
MOL2
C


ATOM
5730
CG
LYS
C
183
−22.940
−20.217
−40.928
1.00
127.78
MOL2
C


ATOM
5731
CD
LYS
C
183
−22.291
−18.853
−41.076
1.00
133.45
MOL2
C


ATOM
5732
CE
LYS
C
183
−20.832
−18.885
−40.633
1.00
134.43
MOL2
C


ATOM
5733
NZ
LYS
C
183
−19.983
−19.798
−41.448
1.00
135.94
MOL2
N


ATOM
5734
C
LYS
C
183
−23.223
−23.058
−40.560
1.00
114.83
MOL2
C


ATOM
5735
O
LYS
C
183
−23.110
−22.879
−39.343
1.00
114.09
MOL2
O


ATOM
5736
N
ASP
C
184
−24.266
−23.673
−41.110
1.00
112.78
MOL2
N


ATOM
5737
CA
ASP
C
184
−25.374
−24.171
−40.302
1.00
111.31
MOL2
C


ATOM
5738
CB
ASP
C
184
−26.502
−24.691
−41.212
1.00
122.40
MOL2
C


ATOM
5739
CG
ASP
C
184
−26.976
−23.645
−42.228
1.00
129.47
MOL2
C


ATOM
5740
OD1
ASP
C
184
−27.293
−22.503
−41.819
1.00
130.84
MOL2
O


ATOM
5741
OD2
ASP
C
184
−27.038
−23.972
−43.437
1.00
131.20
MOL2
O


ATOM
5742
C
ASP
C
184
−24.913
−25.278
−39.357
1.00
105.04
MOL2
C


ATOM
5743
O
ASP
C
184
−24.942
−25.108
−38.133
1.00
99.16
MOL2
O


ATOM
5744
N
GLU
C
185
−24.494
−26.402
−39.942
1.00
100.32
MOL2
N


ATOM
5745
CA
GLU
C
185
−24.010
−27.568
−39.197
1.00
97.52
MOL2
C


ATOM
5746
CB
GLU
C
185
−23.495
−28.630
−40.172
1.00
103.77
MOL2
C


ATOM
5747
CG
GLU
C
185
−24.525
−29.640
−40.672
1.00
114.29
MOL2
C


ATOM
5748
CD
GLU
C
185
−24.581
−30.906
−39.817
1.00
120.06
MOL2
C


ATOM
5749
OE1
GLU
C
185
−25.092
−31.938
−40.314
1.00
119.67
MOL2
O


ATOM
5750
OE2
GLU
C
185
−24.122
−30.871
−38.651
1.00
121.57
MOL2
O


ATOM
5751
C
GLU
C
185
−22.890
−27.214
−38.215
1.00
93.65
MOL2
C


ATOM
5752
O
GLU
C
185
−22.768
−27.818
−37.143
1.00
89.39
MOL2
O


ATOM
5753
N
TYR
C
186
−22.061
−26.243
−38.585
1.00
91.15
MOL2
N


ATOM
5754
CA
TYR
C
186
−20.969
−25.846
−37.712
1.00
90.99
MOL2
C


ATOM
5755
CB
TYR
C
186
−20.048
−24.823
−38.383
1.00
93.51
MOL2
C


ATOM
5756
CG
TYR
C
186
−19.012
−24.246
−37.436
1.00
93.52
MOL2
C


ATOM
5757
CD1
TYR
C
186
−19.361
−23.297
−36.486
1.00
97.80
MOL2
C


ATOM
5758
CE1
TYR
C
186
−18.435
−22.797
−35.590
1.00
98.27
MOL2
C


ATOM
5759
CD2
TYR
C
186
−17.698
−24.677
−37.463
1.00
94.43
MOL2
C


ATOM
5760
CE2
TYR
C
186
−16.765
−24.179
−36.568
1.00
96.25
MOL2
C


ATOM
5761
CZ
TYR
C
186
−17.142
−23.240
−35.637
1.00
94.84
MOL2
C


ATOM
5762
OH
TYR
C
186
−16.227
−22.728
−34.755
1.00
96.28
MOL2
O


ATOM
5763
C
TYR
C
186
−21.510
−25.261
−36.424
1.00
93.77
MOL2
C


ATOM
5764
O
TYR
C
186
−20.935
−25.479
−35.358
1.00
96.72
MOL2
O


ATOM
5765
N
GLU
C
187
−22.612
−24.518
−36.525
1.00
95.78
MOL2
N


ATOM
5766
CA
GLU
C
187
−23.236
−23.877
−35.364
1.00
97.26
MOL2
C


ATOM
5767
CB
GLU
C
187
−24.255
−22.825
−35.831
1.00
104.73
MOL2
C


ATOM
5768
CG
GLU
C
187
−23.687
−21.655
−36.637
1.00
111.79
MOL2
C


ATOM
5769
CD
GLU
C
187
−22.778
−20.739
−35.820
1.00
118.04
MOL2
C


ATOM
5770
OE1
GLU
C
187
−22.470
−19.630
−36.312
1.00
117.06
MOL2
O


ATOM
5771
OE2
GLU
C
187
−22.365
−21.120
−34.699
1.00
121.68
MOL2
O


ATOM
5772
C
GLU
C
187
−23.935
−24.864
−34.424
1.00
95.32
MOL2
C


ATOM
5773
O
GLU
C
187
−23.872
−24.713
−33.198
1.00
85.41
MOL2
O


ATOM
5774
N
ARG
C
188
−24.597
−25.864
−35.016
1.00
97.41
MOL2
N


ATOM
5775
CA
ARG
C
188
−25.340
−26.887
−34.277
1.00
98.56
MOL2
C


ATOM
5776
CB
ARG
C
188
−25.955
−27.891
−35.255
1.00
97.07
MOL2
C


ATOM
5777
CG
ARG
C
188
−26.790
−27.227
−36.328
1.00
104.21
MOL2
C


ATOM
5778
CD
ARG
C
188
−27.252
−28.208
−37.392
1.00
112.70
MOL2
C


ATOM
5779
NE
ARG
C
188
−27.661
−27.498
−38.604
1.00
122.18
MOL2
N


ATOM
5780
CZ
ARG
C
188
−27.990
−28.087
−39.751
1.00
124.20
MOL2
C


ATOM
5781
NH1
ARG
C
188
−27.962
−29.409
−39.848
1.00
126.54
MOL2
N


ATOM
5782
NH2
ARG
C
188
−28.329
−27.352
−40.807
1.00
121.65
MOL2
N


ATOM
5783
C
ARG
C
188
−24.512
−27.634
−33.229
1.00
100.68
MOL2
C


ATOM
5784
O
ARG
C
188
−25.077
−28.256
−32.324
1.00
101.42
MOL2
O


ATOM
5785
N
HIS
C
189
−23.185
−27.571
−33.343
1.00
100.30
MOL2
N


ATOM
5786
CA
HIS
C
189
−22.310
−28.256
−32.390
1.00
97.49
MOL2
C


ATOM
5787
CB
HIS
C
189
−21.672
−29.472
−33.055
1.00
101.41
MOL2
C


ATOM
5788
CG
HIS
C
189
−22.663
−30.382
−33.710
1.00
105.48
MOL2
C


ATOM
5789
CD2
HIS
C
189
−23.194
−31.561
−33.308
1.00
106.26
MOL2
C


ATOM
5790
ND1
HIS
C
189
−23.243
−30.096
−34.929
1.00
108.49
MOL2
N


ATOM
5791
CE1
HIS
C
189
−24.086
−31.061
−35.251
1.00
109.87
MOL2
C


ATOM
5792
NE2
HIS
C
189
−24.075
−31.962
−34.285
1.00
111.52
MOL2
N


ATOM
5793
C
HIS
C
189
−21.234
−27.343
−31.802
1.00
96.73
MOL2
C


ATOM
5794
O
HIS
C
189
−20.976
−26.254
−32.321
1.00
94.15
MOL2
O


ATOM
5795
N
ASN
C
190
−20.593
−27.793
−30.727
1.00
99.11
MOL2
N


ATOM
5796
CA
ASN
C
190
−19.589
−26.967
−30.058
1.00
106.33
MOL2
C


ATOM
5797
CB
ASN
C
190
−20.060
−26.674
−28.619
1.00
118.99
MOL2
C


ATOM
5798
CG
ASN
C
190
−19.356
−25.466
−27.991
1.00
128.44
MOL2
C


ATOM
5799
OD1
ASN
C
190
−18.126
−25.435
−27.877
1.00
132.56
MOL2
O


ATOM
5800
ND2
ASN
C
190
−20.142
−24.470
−27.573
1.00
130.77
MOL2
N


ATOM
5801
C
ASN
C
190
−18.143
−27.488
−30.031
1.00
104.71
MOL2
C


ATOM
5802
O
ASN
C
190
−17.205
−26.711
−30.257
1.00
102.41
MOL2
O


ATOM
5803
N
SER
C
191
−17.948
−28.779
−29.747
1.00
102.86
MOL2
N


ATOM
5804
CA
SER
C
191
−16.588
−29.330
−29.688
1.00
98.88
MOL2
C


ATOM
5805
CB
SER
C
191
−16.441
−30.332
−28.521
1.00
100.66
MOL2
C


ATOM
5806
OG
SER
C
191
−17.297
−31.457
−28.638
1.00
102.00
MOL2
O


ATOM
5807
C
SER
C
191
−16.111
−29.967
−30.993
1.00
96.99
MOL2
C


ATOM
5808
O
SER
C
191
−16.820
−30.764
−31.620
1.00
92.58
MOL2
O


ATOM
5809
N
TYR
C
192
−14.898
−29.588
−31.394
1.00
96.21
MOL2
N


ATOM
5810
CA
TYR
C
192
−14.286
−30.090
−32.621
1.00
94.20
MOL2
C


ATOM
5811
CB
TYR
C
192
−14.210
−28.977
−33.670
1.00
98.25
MOL2
C


ATOM
5812
CG
TYR
C
192
−15.552
−28.622
−34.269
1.00
102.09
MOL2
C


ATOM
5813
CD1
TYR
C
192
−15.948
−27.297
−34.397
1.00
101.80
MOL2
C


ATOM
5814
CE1
TYR
C
192
−17.182
−26.971
−34.932
1.00
105.33
MOL2
C


ATOM
5815
CD2
TYR
C
192
−16.431
−29.619
−34.698
1.00
100.60
MOL2
C


ATOM
5816
CE2
TYR
C
192
−17.665
−29.300
−35.237
1.00
101.03
MOL2
C


ATOM
5817
CZ
TYR
C
192
−18.037
−27.975
−35.352
1.00
104.61
MOL2
C


ATOM
5818
OH
TYR
C
192
−19.262
−27.644
−35.894
1.00
103.77
MOL2
O


ATOM
5819
C
TYR
C
192
−12.898
−30.635
−32.334
1.00
92.21
MOL2
C


ATOM
5820
O
TYR
C
192
−12.010
−29.911
−31.862
1.00
91.97
MOL2
O


ATOM
5821
N
THR
C
193
−12.714
−31.916
−32.633
1.00
87.96
MOL2
N


ATOM
5822
CA
THR
C
193
−11.443
−32.574
−32.386
1.00
86.37
MOL2
C


ATOM
5823
CB
THR
C
193
−11.602
−33.679
−31.349
1.00
89.98
MOL2
C


ATOM
5824
OG1
THR
C
193
−12.186
−34.830
−31.977
1.00
90.57
MOL2
O


ATOM
5825
CG2
THR
C
193
−12.516
−33.220
−30.222
1.00
95.21
MOL2
C


ATOM
5826
C
THR
C
193
−10.875
−33.237
−33.628
1.00
85.96
MOL2
C


ATOM
5827
O
THR
C
193
−11.608
−33.720
−34.496
1.00
80.74
MOL2
O


ATOM
5828
N
CYS
C
194
−9.552
−33.281
−33.680
1.00
88.35
MOL2
N


ATOM
5829
CA
CYS
C
194
−8.835
−33.903
−34.778
1.00
86.66
MOL2
C


ATOM
5830
C
CYS
C
194
−7.866
−34.866
−34.096
1.00
85.37
MOL2
C


ATOM
5831
O
CYS
C
194
−6.920
−34.446
−33.421
1.00
84.98
MOL2
O


ATOM
5832
CB
CYS
C
194
−8.123
−32.815
−35.571
1.00
89.98
MOL2
C


ATOM
5833
SG
CYS
C
194
−6.893
−33.362
−36.776
1.00
89.61
MOL2
S


ATOM
5834
N
GLU
C
195
−8.138
−36.161
−34.230
1.00
84.20
MOL2
N


ATOM
5835
CA
GLU
C
195
−7.300
−37.172
−33.590
1.00
84.87
MOL2
C


ATOM
5836
CB
GLU
C
195
−8.159
−38.157
−32.783
1.00
94.33
MOL2
C


ATOM
5837
CG
GLU
C
195
−9.060
−37.488
−31.737
1.00
104.52
MOL2
C


ATOM
5838
CD
GLU
C
195
−9.777
−38.477
−30.816
1.00
110.31
MOL2
C


ATOM
5839
OE1
GLU
C
195
−10.283
−39.511
−31.312
1.00
115.56
MOL2
O


ATOM
5840
OE2
GLU
C
195
−9.848
−38.209
−29.594
1.00
111.25
MOL2
O


ATOM
5841
C
GLU
C
195
−6.425
−37.930
−34.576
1.00
82.75
MOL2
C


ATOM
5842
O
GLU
C
195
−6.911
−38.637
−35.471
1.00
77.51
MOL2
O


ATOM
5843
N
ALA
C
196
−5.117
−37.782
−34.397
1.00
81.78
MOL2
N


ATOM
5844
CA
ALA
C
196
−4.157
−38.437
−35.278
1.00
78.73
MOL2
C


ATOM
5845
CB
ALA
C
196
−3.095
−37.436
−35.740
1.00
79.10
MOL2
C


ATOM
5846
C
ALA
C
196
−3.488
−39.645
−34.634
1.00
76.27
MOL2
C


ATOM
5847
O
ALA
C
196
−2.815
−39.527
−33.599
1.00
78.76
MOL2
O


ATOM
5848
N
THR
C
197
−3.687
−40.806
−35.258
1.00
69.31
MOL2
N


ATOM
5849
CA
THR
C
197
−3.105
−42.066
−34.793
1.00
65.11
MOL2
C


ATOM
5850
CB
THR
C
197
−4.145
−43.221
−34.890
1.00
64.89
MOL2
C


ATOM
5851
OG1
THR
C
197
−4.013
−44.073
−33.746
1.00
72.06
MOL2
O


ATOM
5852
CG2
THR
C
197
−3.940
−44.053
−36.150
1.00
56.49
MOL2
C


ATOM
5853
C
THR
C
197
−1.853
−42.402
−35.634
1.00
64.02
MOL2
C


ATOM
5854
O
THR
C
197
−1.904
−42.476
−36.866
1.00
54.75
MOL2
O


ATOM
5855
N
HIS
C
198
−0.729
−42.616
−34.955
1.00
66.83
MOL2
N


ATOM
5856
CA
HIS
C
198
0.538
−42.882
−35.633
1.00
64.57
MOL2
C


ATOM
5857
CB
HIS
C
198
1.261
−41.535
−35.811
1.00
62.18
MOL2
C


ATOM
5858
CG
HIS
C
198
2.485
−41.593
−36.668
1.00
63.38
MOL2
C


ATOM
5859
CD2
HIS
C
198
3.764
−41.223
−36.417
1.00
60.84
MOL2
C


ATOM
5860
ND1
HIS
C
198
2.460
−42.024
−37.978
1.00
62.33
MOL2
N


ATOM
5861
CE1
HIS
C
198
3.671
−41.916
−38.495
1.00
63.38
MOL2
C


ATOM
5862
NE2
HIS
C
198
4.480
−41.432
−37.570
1.00
60.65
MOL2
N


ATOM
5863
C
HIS
C
198
1.449
−43.895
−34.909
1.00
63.67
MOL2
C


ATOM
5864
O
HIS
C
198
1.548
−43.913
−33.682
1.00
70.98
MOL2
O


ATOM
5865
N
LYS
C
199
2.110
−44.729
−35.699
1.00
61.78
MOL2
N


ATOM
5866
CA
LYS
C
199
3.030
−45.756
−35.219
1.00
56.62
MOL2
C


ATOM
5867
CB
LYS
C
199
3.878
−46.232
−36.402
1.00
61.39
MOL2
C


ATOM
5868
CG
LYS
C
199
5.123
−47.018
−36.059
1.00
58.85
MOL2
C


ATOM
5869
CD
LYS
C
199
5.719
−47.591
−37.335
1.00
58.87
MOL2
C


ATOM
5870
CE
LYS
C
199
7.112
−48.137
−37.114
1.00
61.59
MOL2
C


ATOM
5871
NZ
LYS
C
199
7.774
−48.382
−38.423
1.00
69.57
MOL2
N


ATOM
5872
C
LYS
C
199
3.925
−45.310
−34.068
1.00
53.02
MOL2
C


ATOM
5873
O
LYS
C
199
4.378
−46.128
−33.270
1.00
55.72
MOL2
O


ATOM
5874
N
THR
C
200
4.173
−44.012
−33.980
1.00
47.42
MOL2
N


ATOM
5875
CA
THR
C
200
5.010
−43.455
−32.925
1.00
55.51
MOL2
C


ATOM
5876
CB
THR
C
200
5.255
−41.963
−33.182
1.00
57.59
MOL2
C


ATOM
5877
OG1
THR
C
200
4.061
−41.375
−33.715
1.00
62.14
MOL2
O


ATOM
5878
CG2
THR
C
200
6.391
−41.767
−34.147
1.00
57.64
MOL2
C


ATOM
5879
C
THR
C
200
4.451
−43.598
−31.496
1.00
58.33
MOL2
C


ATOM
5880
O
THR
C
200
5.201
−43.513
−30.513
1.00
56.11
MOL2
O


ATOM
5881
N
SER
C
201
3.142
−43.789
−31.376
1.00
58.57
MOL2
N


ATOM
5882
CA
SER
C
201
2.535
−43.917
−30.062
1.00
65.13
MOL2
C


ATOM
5883
CB
SER
C
201
2.133
−42.551
−29.498
1.00
75.06
MOL2
C


ATOM
5884
OG
SER
C
201
1.660
−42.651
−28.155
1.00
76.72
MOL2
O


ATOM
5885
C
SER
C
201
1.316
−44.797
−30.084
1.00
68.79
MOL2
C


ATOM
5886
O
SER
C
201
0.698
−45.002
−31.124
1.00
71.76
MOL2
O


ATOM
5887
N
THR
C
202
0.981
−45.301
−28.902
1.00
71.34
MOL2
N


ATOM
5888
CA
THR
C
202
−0.160
−46.179
−28.683
1.00
66.29
MOL2
C


ATOM
5889
CB
THR
C
202
0.122
−47.043
−27.496
1.00
61.94
MOL2
C


ATOM
5890
OG1
THR
C
202
0.569
−46.207
−26.414
1.00
61.91
MOL2
O


ATOM
5891
CG2
THR
C
202
1.203
−48.029
−27.834
1.00
62.11
MOL2
C


ATOM
5892
C
THR
C
202
−1.391
−45.338
−28.380
1.00
71.53
MOL2
C


ATOM
5893
O
THR
C
202
−2.532
−45.799
−28.497
1.00
68.75
MOL2
O


ATOM
5894
N
SER
C
203
−1.132
−44.095
−27.985
1.00
74.60
MOL2
N


ATOM
5895
CA
SER
C
203
−2.175
−43.149
−27.637
1.00
75.06
MOL2
C


ATOM
5896
CB
SER
C
203
−1.944
−42.627
−26.207
1.00
78.78
MOL2
C


ATOM
5897
OG
SER
C
203
−0.582
−42.302
−25.977
1.00
74.75
MOL2
O


ATOM
5898
C
SER
C
203
−2.184
−41.999
−28.628
1.00
73.19
MOL2
C


ATOM
5899
O
SER
C
203
−1.217
−41.237
−28.701
1.00
72.48
MOL2
O


ATOM
5900
N
PRO
C
204
−3.283
−41.869
−29.405
1.00
74.35
MOL2
N


ATOM
5901
CD
PRO
C
204
−4.374
−42.866
−29.369
1.00
74.62
MOL2
C


ATOM
5902
CA
PRO
C
204
−3.554
−40.854
−30.436
1.00
70.15
MOL2
C


ATOM
5903
CB
PRO
C
204
−5.025
−41.084
−30.763
1.00
67.10
MOL2
C


ATOM
5904
CG
PRO
C
204
−5.146
−42.573
−30.652
1.00
69.63
MOL2
C


ATOM
5905
C
PRO
C
204
−3.308
−39.427
−29.989
1.00
69.69
MOL2
C


ATOM
5906
O
PRO
C
204
−3.640
−39.063
−28.858
1.00
72.58
MOL2
O


ATOM
5907
N
ILE
C
205
−2.713
−38.628
−30.874
1.00
70.09
MOL2
N


ATOM
5908
CA
ILE
C
205
−2.458
−37.225
−30.570
1.00
71.17
MOL2
C


ATOM
5909
CB
ILE
C
205
−1.315
−36.633
−31.448
1.00
67.23
MOL2
C


ATOM
5910
CG2
ILE
C
205
−1.212
−35.133
−31.230
1.00
64.64
MOL2
C


ATOM
5911
CG1
ILE
C
205
0.022
−37.289
−31.075
1.00
71.12
MOL2
C


ATOM
5912
CD1
ILE
C
205
1.259
−36.419
−31.340
1.00
70.56
MOL2
C


ATOM
5913
C
ILE
C
205
−3.782
−36.535
−30.873
1.00
73.78
MOL2
C


ATOM
5914
O
ILE
C
205
−4.331
−36.671
−31.977
1.00
67.96
MOL2
O


ATOM
5915
N
VAL
C
206
−4.317
−35.829
−29.879
1.00
76.89
MOL2
N


ATOM
5916
CA
VAL
C
206
−5.593
−35.160
−30.060
1.00
81.99
MOL2
C


ATOM
5917
CB
VAL
C
206
−6.659
−35.771
−29.128
1.00
76.92
MOL2
C


ATOM
5918
CG1
VAL
C
206
−8.023
−35.259
−29.506
1.00
83.47
MOL2
C


ATOM
5919
CG2
VAL
C
206
−6.638
−37.266
−29.228
1.00
74.77
MOL2
C


ATOM
5920
C
VAL
C
206
−5.521
−33.652
−29.817
1.00
87.24
MOL2
C


ATOM
5921
O
VAL
C
206
−4.991
−33.194
−28.790
1.00
88.17
MOL2
O


ATOM
5922
N
LYS
C
207
−6.041
−32.888
−30.777
1.00
86.74
MOL2
N


ATOM
5923
CA
LYS
C
207
−6.074
−31.437
−30.668
1.00
89.73
MOL2
C


ATOM
5924
CB
LYS
C
207
−5.084
−30.790
−31.640
1.00
92.01
MOL2
C


ATOM
5925
CG
LYS
C
207
−3.610
−31.037
−31.305
1.00
90.07
MOL2
C


ATOM
5926
CD
LYS
C
207
−3.231
−30.490
−29.936
1.00
94.48
MOL2
C


ATOM
5927
CE
LYS
C
207
−1.722
−30.567
−29.694
1.00
97.81
MOL2
C


ATOM
5928
NZ
LYS
C
207
−1.303
−30.034
−28.355
1.00
99.93
MOL2
N


ATOM
5929
C
LYS
C
207
−7.502
−31.021
−30.990
1.00
93.06
MOL2
C


ATOM
5930
O
LYS
C
207
−8.111
−31.550
−31.929
1.00
90.15
MOL2
O


ATOM
5931
N
SER
C
208
−8.042
−30.098
−30.191
1.00
95.64
MOL2
N


ATOM
5932
CA
SER
C
208
−9.418
−29.633
−30.376
1.00
96.16
MOL2
C


ATOM
5933
CB
SER
C
208
−10.400
−30.478
−29.550
1.00
92.40
MOL2
C


ATOM
5934
OG
SER
C
208
−10.301
−31.851
−29.858
1.00
86.23
MOL2
O


ATOM
5935
C
SER
C
208
−9.592
−28.186
−29.964
1.00
98.80
MOL2
C


ATOM
5936
O
SER
C
208
−8.657
−27.538
−29.490
1.00
96.21
MOL2
O


ATOM
5937
N
PHE
C
209
−10.818
−27.703
−30.126
1.00
104.94
MOL2
N


ATOM
5938
CA
PHE
C
209
−11.165
−26.331
−29.788
1.00
112.91
MOL2
C


ATOM
5939
CB
PHE
C
209
−10.646
−25.379
−30.867
1.00
119.37
MOL2
C


ATOM
5940
CG
PHE
C
209
−11.603
−25.205
−32.013
1.00
125.03
MOL2
C


ATOM
5941
CD1
PHE
C
209
−12.188
−23.975
−32.261
1.00
127.55
MOL2
C


ATOM
5942
CD2
PHE
C
209
−11.974
−26.289
−32.796
1.00
127.39
MOL2
C


ATOM
5943
CE1
PHE
C
209
−13.128
−23.832
−33.264
1.00
132.81
MOL2
C


ATOM
5944
CE2
PHE
C
209
−12.913
−26.151
−33.798
1.00
131.06
MOL2
C


ATOM
5945
CZ
PHE
C
209
−13.492
−24.924
−34.033
1.00
134.21
MOL2
C


ATOM
5946
C
PHE
C
209
−12.692
−26.208
−29.732
1.00
116.65
MOL2
C


ATOM
5947
O
PHE
C
209
−13.413
−26.882
−30.486
1.00
114.04
MOL2
O


ATOM
5948
N
ASN
C
210
−13.179
−25.343
−28.843
1.00
119.28
MOL2
N


ATOM
5949
CA
ASN
C
210
−14.613
−25.107
−28.715
1.00
122.10
MOL2
C


ATOM
5950
CB
ASN
C
210
−15.063
−25.285
−27.266
1.00
122.85
MOL2
C


ATOM
5951
CG
ASN
C
210
−15.326
−26.733
−26.920
1.00
124.32
MOL2
C


ATOM
5952
OD1
ASN
C
210
−16.123
−27.399
−27.580
1.00
120.86
MOL2
O


ATOM
5953
ND2
ASN
C
210
−14.659
−27.229
−25.884
1.00
126.41
MOL2
N


ATOM
5954
C
ASN
C
210
−14.945
−23.697
−29.188
1.00
125.34
MOL2
C


ATOM
5955
O
ASN
C
210
−14.053
−22.852
−29.316
1.00
124.68
MOL2
O


ATOM
5956
N
ARG
C
211
−16.228
−23.448
−29.445
1.00
130.51
MOL2
N


ATOM
5957
CA
ARG
C
211
−16.687
−22.137
−29.905
1.00
135.75
MOL2
C


ATOM
5958
CB
ARG
C
211
−18.032
−22.273
−30.626
1.00
135.55
MOL2
C


ATOM
5959
CG
ARG
C
211
−18.058
−23.334
−31.715
1.00
138.83
MOL2
C


ATOM
5960
CD
ARG
C
211
−19.445
−23.492
−32.338
1.00
143.96
MOL2
C


ATOM
5961
NE
ARG
C
211
−20.477
−23.824
−31.355
1.00
150.84
MOL2
N


ATOM
5962
CZ
ARG
C
211
−21.122
−22.932
−30.603
1.00
156.30
MOL2
C


ATOM
5963
NH1
ARG
C
211
−20.850
−21.638
−30.717
1.00
159.23
MOL2
N


ATOM
5964
NH2
ARG
C
211
−22.037
−23.334
−29.727
1.00
157.52
MOL2
N


ATOM
5965
C
ARG
C
211
−16.825
−21.130
−28.756
1.00
141.28
MOL2
C


ATOM
5966
O
ARG
C
211
−17.563
−21.351
−27.787
1.00
138.31
MOL2
O


ATOM
5967
N
ASN
C
212
−16.102
−20.022
−28.893
1.00
149.64
MOL2
N


ATOM
5968
CA
ASN
C
212
−16.077
−18.930
−27.925
1.00
157.26
MOL2
C


ATOM
5969
CB
ASN
C
212
−14.645
−18.774
−27.385
1.00
158.65
MOL2
C


ATOM
5970
CG
ASN
C
212
−13.580
−18.869
−28.491
1.00
160.07
MOL2
C


ATOM
5971
OD1
ASN
C
212
−13.470
−17.989
−29.352
1.00
159.67
MOL2
O


ATOM
5972
ND2
ASN
C
212
−12.799
−19.947
−28.468
1.00
157.43
MOL2
N


ATOM
5973
C
ASN
C
212
−16.525
−17.643
−28.633
1.00
162.36
MOL2
C


ATOM
5974
O
ASN
C
212
−17.142
−16.760
−28.027
1.00
162.64
MOL2
O


ATOM
5975
N
GLU
C
213
−16.193
−17.561
−29.923
1.00
168.08
MOL2
N


ATOM
5976
CA
GLU
C
213
−16.534
−16.432
−30.794
1.00
172.24
MOL2
C


ATOM
5977
CB
GLU
C
213
−18.060
−16.334
−30.957
1.00
174.81
MOL2
C


ATOM
5978
CG
GLU
C
213
−18.588
−16.676
−32.363
1.00
178.79
MOL2
C


ATOM
5979
CD
GLU
C
213
−18.485
−18.160
−32.725
1.00
180.90
MOL2
C


ATOM
5980
OE1
GLU
C
213
−19.059
−18.999
−31.995
1.00
182.92
MOL2
O


ATOM
5981
OE2
GLU
C
213
−17.840
−18.486
−33.748
1.00
179.09
MOL2
O


ATOM
5982
C
GLU
C
213
−15.981
−15.067
−30.379
1.00
173.25
MOL2
C


ATOM
5983
O
GLU
C
213
−16.527
−14.402
−29.499
1.00
173.91
MOL2
O


ATOM
5984
N
CYS
C
214
−14.900
−14.653
−31.034
1.00
174.34
MOL2
N


ATOM
5985
CA
CYS
C
214
−14.271
−13.364
−30.765
1.00
176.87
MOL2
C


ATOM
5986
CB
CYS
C
214
−13.684
−13.328
−29.352
1.00
177.45
MOL2
C


ATOM
5987
SG
CYS
C
214
−14.578
−12.272
−28.158
1.00
178.63
MOL2
S


ATOM
5988
C
CYS
C
214
−13.166
−13.089
−31.782
1.00
177.57
MOL2
C


ATOM
5989
O
CYS
C
214
−12.996
−13.915
−32.703
1.00
177.03
MOL2
O


ATOM
5990
OXT
CYS
C
214
−12.485
−12.051
−31.648
1.00
178.26
MOL2
O


ATOM
5991
CB
GLU
D
1
22.314
−35.760
−79.347
1.00
84.87
MOL2
C


ATOM
5992
CG
GLU
D
1
22.427
−36.327
−80.787
1.00
101.66
MOL2
C


ATOM
5993
CD
GLU
D
1
23.307
−35.500
−81.745
1.00
109.46
MOL2
C


ATOM
5994
OE1
GLU
D
1
23.251
−35.754
−82.981
1.00
102.99
MOL2
O


ATOM
5995
OE2
GLU
D
1
24.058
−34.614
−81.266
1.00
111.21
MOL2
O


ATOM
5996
C
GLU
D
1
19.956
−35.196
−79.880
1.00
69.87
MOL2
C


ATOM
5997
O
GLU
D
1
19.881
−35.083
−81.098
1.00
75.70
MOL2
O


ATOM
5998
N
GLU
D
1
20.944
−34.490
−77.692
1.00
75.00
MOL2
N


ATOM
5999
CA
GLU
D
1
21.198
−34.723
−79.145
1.00
73.87
MOL2
C


ATOM
6000
N
VAL
D
2
18.974
−35.724
−79.162
1.00
63.06
MOL2
N


ATOM
6001
CA
VAL
D
2
17.762
−36.194
−79.827
1.00
55.58
MOL2
C


ATOM
6002
CB
VAL
D
2
17.566
−37.689
−79.628
1.00
47.21
MOL2
C


ATOM
6003
CG1
VAL
D
2
16.454
−38.199
−80.509
1.00
20.53
MOL2
C


ATOM
6004
CG2
VAL
D
2
18.854
−38.402
−79.914
1.00
52.31
MOL2
C


ATOM
6005
C
VAL
D
2
16.514
−35.503
−79.331
1.00
60.47
MOL2
C


ATOM
6006
O
VAL
D
2
15.623
−36.155
−78.805
1.00
66.99
MOL2
O


ATOM
6007
N
GLN
D
3
16.439
−34.192
−79.527
1.00
62.47
MOL2
N


ATOM
6008
CA
GLN
D
3
15.305
−33.390
−79.078
1.00
60.74
MOL2
C


ATOM
6009
CB
GLN
D
3
15.532
−31.937
−79.505
1.00
68.39
MOL2
C


ATOM
6010
CG
GLN
D
3
16.934
−31.419
−79.214
1.00
90.44
MOL2
C


ATOM
6011
CD
GLN
D
3
17.198
−30.040
−79.819
1.00
104.39
MOL2
C


ATOM
6012
OE1
GLN
D
3
18.353
−29.614
−79.949
1.00
112.27
MOL2
O


ATOM
6013
NE2
GLN
D
3
16.126
−29.334
−80.186
1.00
106.58
MOL2
N


ATOM
6014
C
GLN
D
3
13.911
−33.840
−79.546
1.00
52.32
MOL2
C


ATOM
6015
O
GLN
D
3
13.716
−34.239
−80.690
1.00
46.30
MOL2
O


ATOM
6016
N
LEU
D
4
12.951
−33.776
−78.630
1.00
47.94
MOL2
N


ATOM
6017
CA
LEU
D
4
11.550
−34.087
−78.905
1.00
45.55
MOL2
C


ATOM
6018
CB
LEU
D
4
11.184
−35.486
−78.423
1.00
36.42
MOL2
C


ATOM
6019
CG
LEU
D
4
11.126
−36.543
−79.515
1.00
40.93
MOL2
C


ATOM
6020
CD1
LEU
D
4
12.450
−36.560
−80.210
1.00
48.51
MOL2
C


ATOM
6021
CD2
LEU
D
4
10.802
−37.918
−78.947
1.00
37.15
MOL2
C


ATOM
6022
C
LEU
D
4
10.784
−33.048
−78.095
1.00
51.22
MOL2
C


ATOM
6023
O
LEU
D
4
11.038
−32.902
−76.885
1.00
57.44
MOL2
O


ATOM
6024
N
VAL
D
5
9.893
−32.291
−78.742
1.00
48.35
MOL2
N


ATOM
6025
CA
VAL
D
5
9.128
−31.282
−78.008
1.00
48.38
MOL2
C


ATOM
6026
CB
VAL
D
5
9.726
−29.864
−78.176
1.00
39.25
MOL2
C


ATOM
6027
CG1
VAL
D
5
11.212
−29.956
−78.478
1.00
29.62
MOL2
C


ATOM
6028
CG2
VAL
D
5
8.995
−29.114
−79.250
1.00
51.89
MOL2
C


ATOM
6029
C
VAL
D
5
7.652
−31.267
−78.381
1.00
52.00
MOL2
C


ATOM
6030
O
VAL
D
5
7.280
−31.145
−79.555
1.00
54.17
MOL2
O


ATOM
6031
N
GLU
D
6
6.812
−31.418
−77.363
1.00
56.64
MOL2
N


ATOM
6032
CA
GLU
D
6
5.379
−31.428
−77.570
1.00
62.34
MOL2
C


ATOM
6033
CB
GLU
D
6
4.720
−32.458
−76.657
1.00
65.34
MOL2
C


ATOM
6034
CG
GLU
D
6
5.275
−33.857
−76.832
1.00
74.88
MOL2
C


ATOM
6035
CD
GLU
D
6
6.236
−34.247
−75.728
1.00
79.38
MOL2
C


ATOM
6036
OE1
GLU
D
6
7.023
−33.380
−75.290
1.00
75.80
MOL2
O


ATOM
6037
OE2
GLU
D
6
6.203
−35.426
−75.307
1.00
82.65
MOL2
O


ATOM
6038
C
GLU
D
6
4.803
−30.044
−77.319
1.00
66.15
MOL2
C


ATOM
6039
O
GLU
D
6
5.439
−29.187
−76.681
1.00
61.42
MOL2
O


ATOM
6040
N
SER
D
7
3.602
−29.826
−77.844
1.00
69.22
MOL2
N


ATOM
6041
CA
SER
D
7
2.930
−28.549
−77.691
1.00
70.93
MOL2
C


ATOM
6042
CB
SER
D
7
3.601
−27.486
−78.574
1.00
74.24
MOL2
C


ATOM
6043
OG
SER
D
7
4.164
−28.060
−79.748
1.00
77.33
MOL2
O


ATOM
6044
C
SER
D
7
1.463
−28.680
−78.031
1.00
70.64
MOL2
C


ATOM
6045
O
SER
D
7
1.029
−29.683
−78.622
1.00
63.72
MOL2
O


ATOM
6046
N
GLY
D
8
0.702
−27.665
−77.634
1.00
73.56
MOL2
N


ATOM
6047
CA
GLY
D
8
−0.722
−27.665
−77.901
1.00
81.67
MOL2
C


ATOM
6048
C
GLY
D
8
−1.499
−28.062
−76.673
1.00
83.23
MOL2
C


ATOM
6049
O
GLY
D
8
−2.624
−28.547
−76.769
1.00
83.26
MOL2
O


ATOM
6050
N
GLY
D
9
−0.890
−27.852
−75.513
1.00
88.14
MOL2
N


ATOM
6051
CA
GLY
D
9
−1.547
−28.206
−74.269
1.00
94.12
MOL2
C


ATOM
6052
C
GLY
D
9
−2.523
−27.148
−73.805
1.00
94.96
MOL2
C


ATOM
6053
O
GLY
D
9
−2.441
−25.995
−74.236
1.00
96.58
MOL2
O


ATOM
6054
N
GLY
D
10
−3.443
−27.544
−72.926
1.00
95.77
MOL2
N


ATOM
6055
CA
GLY
D
10
−4.438
−26.621
−72.407
1.00
93.74
MOL2
C


ATOM
6056
C
GLY
D
10
−5.672
−27.331
−71.882
1.00
90.23
MOL2
C


ATOM
6057
O
GLY
D
10
−5.716
−28.563
−71.821
1.00
87.47
MOL2
O


ATOM
6058
N
LEU
D
11
−6.681
−26.549
−71.513
1.00
87.23
MOL2
N


ATOM
6059
CA
LEU
D
11
−7.929
−27.083
−70.975
1.00
85.72
MOL2
C


ATOM
6060
CB
LEU
D
11
−8.429
−26.209
−69.828
1.00
86.17
MOL2
C


ATOM
6061
CG
LEU
D
11
−7.397
−25.409
−69.026
1.00
92.46
MOL2
C


ATOM
6062
CD1
LEU
D
11
−6.610
−24.445
−69.933
1.00
92.06
MOL2
C


ATOM
6063
CD2
LEU
D
11
−8.134
−24.642
−67.938
1.00
92.18
MOL2
C


ATOM
6064
C
LEU
D
11
−8.973
−27.054
−72.057
1.00
81.57
MOL2
C


ATOM
6065
O
LEU
D
11
−8.858
−26.296
−73.007
1.00
81.09
MOL2
O


ATOM
6066
N
VAL
D
12
−10.007
−27.860
−71.911
1.00
81.34
MOL2
N


ATOM
6067
CA
VAL
D
12
−11.050
−27.851
−72.911
1.00
90.17
MOL2
C


ATOM
6068
CB
VAL
D
12
−10.484
−28.360
−74.253
1.00
85.76
MOL2
C


ATOM
6069
CG1
VAL
D
12
−9.519
−29.480
−73.995
1.00
88.33
MOL2
C


ATOM
6070
CG2
VAL
D
12
−11.607
−28.814
−75.170
1.00
93.86
MOL2
C


ATOM
6071
C
VAL
D
12
−12.283
−28.644
−72.464
1.00
96.91
MOL2
C


ATOM
6072
O
VAL
D
12
−12.196
−29.827
−72.130
1.00
100.56
MOL2
O


ATOM
6073
N
GLN
D
13
−13.428
−27.961
−72.442
1.00
100.84
MOL2
N


ATOM
6074
CA
GLN
D
13
−14.702
−28.555
−72.036
1.00
99.10
MOL2
C


ATOM
6075
CB
GLN
D
13
−15.880
−27.642
−72.450
1.00
105.56
MOL2
C


ATOM
6076
CG
GLN
D
13
−15.513
−26.216
−72.931
1.00
107.21
MOL2
C


ATOM
6077
CD
GLN
D
13
−15.442
−25.179
−71.807
1.00
109.35
MOL2
C


ATOM
6078
OE1
GLN
D
13
−16.437
−24.911
−71.125
1.00
104.19
MOL2
O


ATOM
6079
NE2
GLN
D
13
−14.263
−24.587
−71.619
1.00
106.68
MOL2
N


ATOM
6080
C
GLN
D
13
−14.898
−29.935
−72.665
1.00
93.48
MOL2
C


ATOM
6081
O
GLN
D
13
−14.483
−30.186
−73.802
1.00
85.32
MOL2
O


ATOM
6082
N
PRO
D
14
−15.529
−30.853
−71.922
1.00
92.73
MOL2
N


ATOM
6083
CD
PRO
D
14
−15.928
−30.745
−70.506
1.00
91.49
MOL2
C


ATOM
6084
CA
PRO
D
14
−15.766
−32.200
−72.448
1.00
93.50
MOL2
C


ATOM
6085
CB
PRO
D
14
−16.742
−32.789
−71.442
1.00
93.16
MOL2
C


ATOM
6086
CG
PRO
D
14
−16.228
−32.190
−70.136
1.00
96.15
MOL2
C


ATOM
6087
C
PRO
D
14
−16.328
−32.121
−73.861
1.00
95.56
MOL2
C


ATOM
6088
O
PRO
D
14
−16.834
−31.077
−74.278
1.00
95.24
MOL2
O


ATOM
6089
N
GLY
D
15
−16.226
−33.218
−74.602
1.00
99.20
MOL2
N


ATOM
6090
CA
GLY
D
15
−16.714
−33.222
−75.969
1.00
100.83
MOL2
C


ATOM
6091
C
GLY
D
15
−15.810
−32.426
−76.900
1.00
101.96
MOL2
C


ATOM
6092
O
GLY
D
15
−15.628
−32.814
−78.058
1.00
105.17
MOL2
O


ATOM
6093
N
GLY
D
16
−15.244
−31.322
−76.399
1.00
97.91
MOL2
N


ATOM
6094
CA
GLY
D
16
−14.362
−30.485
−77.200
1.00
92.60
MOL2
C


ATOM
6095
C
GLY
D
16
−13.253
−31.244
−77.912
1.00
93.12
MOL2
C


ATOM
6096
O
GLY
D
16
−13.158
−32.474
−77.809
1.00
94.06
MOL2
O


ATOM
6097
N
SER
D
17
−12.405
−30.519
−78.640
1.00
90.56
MOL2
N


ATOM
6098
CA
SER
D
17
−11.305
−31.152
−79.368
1.00
88.06
MOL2
C


ATOM
6099
CB
SER
D
17
−11.666
−31.329
−80.849
1.00
84.28
MOL2
C


ATOM
6100
OG
SER
D
17
−11.944
−32.684
−81.155
1.00
71.92
MOL2
O


ATOM
6101
C
SER
D
17
−9.988
−30.395
−79.279
1.00
86.85
MOL2
C


ATOM
6102
O
SER
D
17
−9.972
−29.168
−79.144
1.00
82.24
MOL2
O


ATOM
6103
N
LEU
D
18
−8.889
−31.149
−79.358
1.00
87.92
MOL2
N


ATOM
6104
CA
LEU
D
18
−7.537
−30.591
−79.318
1.00
83.54
MOL2
C


ATOM
6105
CB
LEU
D
18
−6.970
−30.620
−77.901
1.00
78.94
MOL2
C


ATOM
6106
CG
LEU
D
18
−6.472
−29.234
−77.506
1.00
78.53
MOL2
C


ATOM
6107
CD1
LEU
D
18
−5.626
−29.308
−76.241
1.00
74.08
MOL2
C


ATOM
6108
CD2
LEU
D
18
−5.683
−28.658
−78.673
1.00
78.57
MOL2
C


ATOM
6109
C
LEU
D
18
−6.594
−31.357
−80.237
1.00
81.40
MOL2
C


ATOM
6110
O
LEU
D
18
−6.772
−32.557
−80.473
1.00
80.75
MOL2
O


ATOM
6111
N
ARG
D
19
−5.597
−30.648
−80.757
1.00
79.15
MOL2
N


ATOM
6112
CA
ARG
D
19
−4.599
−31.241
−81.644
1.00
78.03
MOL2
C


ATOM
6113
CB
ARG
D
19
−4.678
−30.634
−83.039
1.00
78.17
MOL2
C


ATOM
6114
CG
ARG
D
19
−3.535
−31.018
−83.949
1.00
65.90
MOL2
C


ATOM
6115
CD
ARG
D
19
−3.131
−29.824
−84.786
1.00
69.08
MOL2
C


ATOM
6116
NE
ARG
D
19
−2.427
−30.199
−86.005
1.00
74.67
MOL2
N


ATOM
6117
CZ
ARG
D
19
−2.777
−31.215
−86.793
1.00
75.43
MOL2
C


ATOM
6118
NH1
ARG
D
19
−3.823
−31.978
−86.487
1.00
65.68
MOL2
N


ATOM
6119
NH2
ARG
D
19
−2.093
−31.453
−87.909
1.00
79.00
MOL2
N


ATOM
6120
C
ARG
D
19
−3.215
−30.986
−81.073
1.00
78.02
MOL2
C


ATOM
6121
O
ARG
D
19
−2.788
−29.831
−80.907
1.00
72.90
MOL2
O


ATOM
6122
N
LEU
D
20
−2.526
−32.085
−80.777
1.00
77.70
MOL2
N


ATOM
6123
CA
LEU
D
20
−1.187
−32.051
−80.211
1.00
75.48
MOL2
C


ATOM
6124
CB
LEU
D
20
−1.058
−33.127
−79.137
1.00
77.70
MOL2
C


ATOM
6125
CG
LEU
D
20
−1.804
−32.904
−77.828
1.00
78.75
MOL2
C


ATOM
6126
CD1
LEU
D
20
−1.722
−34.166
−76.990
1.00
76.76
MOL2
C


ATOM
6127
CD2
LEU
D
20
−1.205
−31.702
−77.100
1.00
77.37
MOL2
C


ATOM
6128
C
LEU
D
20
−0.113
−32.289
−81.265
1.00
75.06
MOL2
C


ATOM
6129
O
LEU
D
20
−0.276
−33.122
−82.174
1.00
66.09
MOL2
O


ATOM
6130
N
SER
D
21
0.992
−31.564
−81.127
1.00
73.95
MOL2
N


ATOM
6131
CA
SER
D
21
2.104
−31.715
−82.049
1.00
72.69
MOL2
C


ATOM
6132
CB
SER
D
21
2.227
−30.478
−82.927
1.00
70.61
MOL2
C


ATOM
6133
OG
SER
D
21
2.423
−29.334
−82.123
1.00
79.90
MOL2
O


ATOM
6134
C
SER
D
21
3.412
−31.955
−81.288
1.00
71.91
MOL2
C


ATOM
6135
O
SER
D
21
3.579
−31.529
−80.139
1.00
71.22
MOL2
O


ATOM
6136
N
CYS
D
22
4.326
−32.659
−81.945
1.00
70.37
MOL2
N


ATOM
6137
CA
CYS
D
22
5.631
−32.983
−81.386
1.00
65.79
MOL2
C


ATOM
6138
C
CYS
D
22
6.688
−32.757
−82.450
1.00
57.43
MOL2
C


ATOM
6139
O
CYS
D
22
6.630
−33.341
−83.527
1.00
54.04
MOL2
O


ATOM
6140
CB
CYS
D
22
5.663
−34.443
−80.951
1.00
73.70
MOL2
C


ATOM
6141
SG
CYS
D
22
7.282
−35.006
−80.333
1.00
84.99
MOL2
S


ATOM
6142
N
ALA
D
23
7.648
−31.899
−82.155
1.00
52.00
MOL2
N


ATOM
6143
CA
ALA
D
23
8.698
−31.629
−83.117
1.00
54.76
MOL2
C


ATOM
6144
CB
ALA
D
23
9.031
−30.160
−83.132
1.00
64.70
MOL2
C


ATOM
6145
C
ALA
D
23
9.923
−32.435
−82.747
1.00
58.66
MOL2
C


ATOM
6146
O
ALA
D
23
10.476
−32.278
−81.658
1.00
64.59
MOL2
O


ATOM
6147
N
ALA
D
24
10.353
−33.296
−83.660
1.00
56.45
MOL2
N


ATOM
6148
CA
ALA
D
24
11.507
−34.144
−83.422
1.00
50.35
MOL2
C


ATOM
6149
CB
ALA
D
24
11.214
−35.531
−83.917
1.00
53.80
MOL2
C


ATOM
6150
C
ALA
D
24
12.754
−33.625
−84.097
1.00
47.82
MOL2
C


ATOM
6151
O
ALA
D
24
12.690
−32.843
−85.034
1.00
56.17
MOL2
O


ATOM
6152
N
SER
D
25
13.902
−34.072
−83.626
1.00
45.00
MOL2
N


ATOM
6153
CA
SER
D
25
15.161
−33.661
−84.227
1.00
44.92
MOL2
C


ATOM
6154
CB
SER
D
25
15.457
−32.185
−83.964
1.00
35.52
MOL2
C


ATOM
6155
OG
SER
D
25
16.204
−32.031
−82.768
1.00
42.35
MOL2
O


ATOM
6156
C
SER
D
25
16.267
−34.505
−83.636
1.00
47.14
MOL2
C


ATOM
6157
O
SER
D
25
16.072
−35.179
−82.627
1.00
56.46
MOL2
O


ATOM
6158
N
GLY
D
26
17.433
−34.464
−84.259
1.00
43.68
MOL2
N


ATOM
6159
CA
GLY
D
26
18.537
−35.247
−83.757
1.00
46.50
MOL2
C


ATOM
6160
C
GLY
D
26
18.520
−36.681
−84.252
1.00
43.78
MOL2
C


ATOM
6161
O
GLY
D
26
19.283
−37.508
−83.763
1.00
45.34
MOL2
O


ATOM
6162
N
PHE
D
27
17.650
−36.992
−85.205
1.00
38.63
MOL2
N


ATOM
6163
CA
PHE
D
27
17.612
−38.343
−85.746
1.00
39.22
MOL2
C


ATOM
6164
CB
PHE
D
27
17.191
−39.314
−84.669
1.00
24.50
MOL2
C


ATOM
6165
CG
PHE
D
27
15.738
−39.268
−84.334
1.00
28.38
MOL2
C


ATOM
6166
CD1
PHE
D
27
14.876
−40.235
−84.822
1.00
27.26
MOL2
C


ATOM
6167
CD2
PHE
D
27
15.239
−38.304
−83.474
1.00
36.41
MOL2
C


ATOM
6168
CE1
PHE
D
27
13.552
−40.243
−84.451
1.00
30.72
MOL2
C


ATOM
6169
CE2
PHE
D
27
13.900
−38.304
−83.094
1.00
31.86
MOL2
C


ATOM
6170
CZ
PHE
D
27
13.060
−39.271
−83.579
1.00
32.53
MOL2
C


ATOM
6171
C
PHE
D
27
16.738
−38.508
−86.983
1.00
46.31
MOL2
C


ATOM
6172
O
PHE
D
27
15.866
−37.676
−87.273
1.00
52.97
MOL2
O


ATOM
6173
N
THR
D
28
16.964
−39.574
−87.740
1.00
46.42
MOL2
N


ATOM
6174
CA
THR
D
28
16.165
−39.706
−88.940
1.00
53.33
MOL2
C


ATOM
6175
CB
THR
D
28
16.824
−40.642
−89.998
1.00
52.12
MOL2
C


ATOM
6176
OG1
THR
D
28
16.286
−41.959
−89.886
1.00
62.36
MOL2
O


ATOM
6177
CG2
THR
D
28
18.345
−40.660
−89.824
1.00
46.59
MOL2
C


ATOM
6178
C
THR
D
28
14.748
−40.133
−88.596
1.00
51.79
MOL2
C


ATOM
6179
O
THR
D
28
14.407
−41.313
−88.553
1.00
48.04
MOL2
O


ATOM
6180
N
PHE
D
29
13.929
−39.117
−88.348
1.00
53.46
MOL2
N


ATOM
6181
CA
PHE
D
29
12.531
−39.278
−87.979
1.00
54.72
MOL2
C


ATOM
6182
CB
PHE
D
29
11.881
−37.895
−87.926
1.00
62.47
MOL2
C


ATOM
6183
CG
PHE
D
29
10.451
−37.898
−87.455
1.00
66.59
MOL2
C


ATOM
6184
CD1
PHE
D
29
9.420
−38.253
−88.310
1.00
68.36
MOL2
C


ATOM
6185
CD2
PHE
D
29
10.143
−37.514
−86.164
1.00
66.24
MOL2
C


ATOM
6186
CE1
PHE
D
29
8.118
−38.219
−87.890
1.00
68.35
MOL2
C


ATOM
6187
CE2
PHE
D
29
8.849
−37.480
−85.738
1.00
68.10
MOL2
C


ATOM
6188
CZ
PHE
D
29
7.830
−37.832
−86.603
1.00
73.32
MOL2
C


ATOM
6189
C
PHE
D
29
11.759
−40.183
−88.928
1.00
54.82
MOL2
C


ATOM
6190
O
PHE
D
29
11.075
−41.110
−88.506
1.00
48.52
MOL2
O


ATOM
6191
N
SER
D
30
11.876
−39.900
−90.218
1.00
60.43
MOL2
N


ATOM
6192
CA
SER
D
30
11.183
−40.659
−91.253
1.00
60.64
MOL2
C


ATOM
6193
CB
SER
D
30
11.528
−40.087
−92.625
1.00
60.73
MOL2
C


ATOM
6194
OG
SER
D
30
12.897
−40.295
−92.920
1.00
59.38
MOL2
O


ATOM
6195
C
SER
D
30
11.539
−42.135
−91.243
1.00
60.18
MOL2
C


ATOM
6196
O
SER
D
30
11.050
−42.898
−92.070
1.00
56.89
MOL2
O


ATOM
6197
N
ASP
D
31
12.391
−42.539
−90.311
1.00
60.72
MOL2
N


ATOM
6198
CA
ASP
D
31
12.809
−43.926
−90.263
1.00
59.43
MOL2
C


ATOM
6199
CB
ASP
D
31
14.328
−44.025
−90.173
1.00
61.21
MOL2
C


ATOM
6200
CG
ASP
D
31
14.944
−44.592
−91.432
1.00
68.54
MOL2
C


ATOM
6201
OD1
ASP
D
31
14.563
−45.722
−91.815
1.00
78.88
MOL2
O


ATOM
6202
OD2
ASP
D
31
15.801
−43.916
−92.040
1.00
68.22
MOL2
O


ATOM
6203
C
ASP
D
31
12.209
−44.732
−89.151
1.00
57.94
MOL2
C


ATOM
6204
O
ASP
D
31
12.081
−45.941
−89.272
1.00
59.54
MOL2
O


ATOM
6205
N
TYR
D
32
11.822
−44.070
−88.074
1.00
57.77
MOL2
N


ATOM
6206
CA
TYR
D
32
11.280
−44.769
−86.925
1.00
57.85
MOL2
C


ATOM
6207
CB
TYR
D
32
12.081
−44.358
−85.689
1.00
55.56
MOL2
C


ATOM
6208
CG
TYR
D
32
13.524
−44.813
−85.736
1.00
57.47
MOL2
C


ATOM
6209
CD1
TYR
D
32
14.485
−44.106
−86.443
1.00
58.58
MOL2
C


ATOM
6210
CE1
TYR
D
32
15.775
−44.593
−86.560
1.00
62.62
MOL2
C


ATOM
6211
CD2
TYR
D
32
13.901
−46.006
−85.139
1.00
55.62
MOL2
C


ATOM
6212
CE2
TYR
D
32
15.166
−46.490
−85.246
1.00
51.87
MOL2
C


ATOM
6213
CZ
TYR
D
32
16.103
−45.799
−85.961
1.00
63.39
MOL2
C


ATOM
6214
OH
TYR
D
32
17.347
−46.371
−86.130
1.00
70.01
MOL2
O


ATOM
6215
C
TYR
D
32
9.796
−44.556
−86.663
1.00
60.28
MOL2
C


ATOM
6216
O
TYR
D
32
9.220
−43.567
−87.096
1.00
66.37
MOL2
O


ATOM
6217
N
ASN
D
33
9.176
−45.493
−85.953
1.00
60.37
MOL2
N


ATOM
6218
CA
ASN
D
33
7.769
−45.367
−85.596
1.00
56.47
MOL2
C


ATOM
6219
CB
ASN
D
33
7.224
−46.708
−85.112
1.00
56.79
MOL2
C


ATOM
6220
CG
ASN
D
33
7.470
−47.815
−86.109
1.00
66.86
MOL2
C


ATOM
6221
OD1
ASN
D
33
8.551
−47.901
−86.684
1.00
78.81
MOL2
O


ATOM
6222
ND2
ASN
D
33
6.476
−48.671
−86.321
1.00
68.08
MOL2
N


ATOM
6223
C
ASN
D
33
7.728
−44.362
−84.459
1.00
53.80
MOL2
C


ATOM
6224
O
ASN
D
33
8.735
−44.112
−83.810
1.00
58.25
MOL2
O


ATOM
6225
N
MET
D
34
6.574
−43.772
−84.212
1.00
50.73
MOL2
N


ATOM
6226
CA
MET
D
34
6.474
−42.811
−83.127
1.00
50.71
MOL2
C


ATOM
6227
CB
MET
D
34
6.370
−41.407
−83.686
1.00
53.02
MOL2
C


ATOM
6228
CG
MET
D
34
7.641
−40.933
−84.344
1.00
52.86
MOL2
C


ATOM
6229
SD
MET
D
34
8.901
−40.768
−83.107
1.00
49.81
MOL2
S


ATOM
6230
CE
MET
D
34
8.706
−39.069
−82.552
1.00
51.28
MOL2
C


ATOM
6231
C
MET
D
34
5.248
−43.134
−82.321
1.00
47.40
MOL2
C


ATOM
6232
O
MET
D
34
4.383
−43.860
−82.792
1.00
49.62
MOL2
O


ATOM
6233
N
ALA
D
35
5.168
−42.618
−81.104
1.00
42.59
MOL2
N


ATOM
6234
CA
ALA
D
35
3.997
−42.901
−80.289
1.00
44.94
MOL2
C


ATOM
6235
CB
ALA
D
35
4.106
−44.285
−79.657
1.00
32.32
MOL2
C


ATOM
6236
C
ALA
D
35
3.711
−41.866
−79.214
1.00
46.03
MOL2
C


ATOM
6237
O
ALA
D
35
4.533
−40.981
−78.906
1.00
40.89
MOL2
O


ATOM
6238
N
TRP
D
36
2.506
−41.967
−78.669
1.00
44.59
MOL2
N


ATOM
6239
CA
TRP
D
36
2.094
−41.069
−77.618
1.00
44.38
MOL2
C


ATOM
6240
CB
TRP
D
36
0.825
−40.306
−78.000
1.00
38.84
MOL2
C


ATOM
6241
CG
TRP
D
36
1.033
−39.334
−79.074
1.00
28.40
MOL2
C


ATOM
6242
CD2
TRP
D
36
1.448
−37.980
−78.919
1.00
26.98
MOL2
C


ATOM
6243
CE2
TRP
D
36
1.624
−37.449
−80.209
1.00
29.52
MOL2
C


ATOM
6244
CE3
TRP
D
36
1.697
−37.163
−77.811
1.00
33.21
MOL2
C


ATOM
6245
CD1
TRP
D
36
0.965
−39.571
−80.414
1.00
31.07
MOL2
C


ATOM
6246
NE1
TRP
D
36
1.323
−38.444
−81.106
1.00
29.81
MOL2
N


ATOM
6247
CZ2
TRP
D
36
2.042
−36.129
−80.426
1.00
24.35
MOL2
C


ATOM
6248
CZ3
TRP
D
36
2.114
−35.854
−78.024
1.00
30.24
MOL2
C


ATOM
6249
CH2
TRP
D
36
2.281
−35.353
−79.327
1.00
27.49
MOL2
C


ATOM
6250
C
TRP
D
36
1.832
−41.944
−76.421
1.00
44.63
MOL2
C


ATOM
6251
O
TRP
D
36
1.315
−43.052
−76.551
1.00
45.46
MOL2
O


ATOM
6252
N
VAL
D
37
2.211
−41.438
−75.262
1.00
41.30
MOL2
N


ATOM
6253
CA
VAL
D
37
2.038
−42.148
−74.025
1.00
49.84
MOL2
C


ATOM
6254
CB
VAL
D
37
3.395
−42.719
−73.560
1.00
56.87
MOL2
C


ATOM
6255
CG1
VAL
D
37
3.386
−42.972
−72.067
1.00
63.23
MOL2
C


ATOM
6256
CG2
VAL
D
37
3.690
−44.006
−74.304
1.00
60.97
MOL2
C


ATOM
6257
C
VAL
D
37
1.560
−41.086
−73.064
1.00
55.18
MOL2
C


ATOM
6258
O
VAL
D
37
2.156
−40.003
−72.996
1.00
54.18
MOL2
O


ATOM
6259
N
ARG
D
38
0.473
−41.358
−72.343
1.00
58.77
MOL2
N


ATOM
6260
CA
ARG
D
38
−0.004
−40.359
−71.391
1.00
60.58
MOL2
C


ATOM
6261
CB
ARG
D
38
−1.442
−39.886
−71.682
1.00
69.17
MOL2
C


ATOM
6262
CG
ARG
D
38
−2.578
−40.905
−71.597
1.00
75.27
MOL2
C


ATOM
6263
CD
ARG
D
38
−3.921
−40.148
−71.651
1.00
85.53
MOL2
C


ATOM
6264
NE
ARG
D
38
−5.021
−40.914
−72.235
1.00
88.71
MOL2
N


ATOM
6265
CZ
ARG
D
38
−5.593
−41.964
−71.655
1.00
95.44
MOL2
C


ATOM
6266
NH1
ARG
D
38
−5.178
−42.378
−70.465
1.00
96.28
MOL2
N


ATOM
6267
NH2
ARG
D
38
−6.567
−42.615
−72.275
1.00
98.30
MOL2
N


ATOM
6268
C
ARG
D
38
0.103
−40.826
−69.967
1.00
56.56
MOL2
C


ATOM
6269
O
ARG
D
38
0.255
−42.023
−69.698
1.00
51.91
MOL2
O


ATOM
6270
N
GLN
D
39
0.028
−39.860
−69.056
1.00
53.51
MOL2
N


ATOM
6271
CA
GLN
D
39
0.139
−40.141
−67.634
1.00
55.30
MOL2
C


ATOM
6272
CB
GLN
D
39
1.582
−39.968
−67.220
1.00
55.50
MOL2
C


ATOM
6273
CG
GLN
D
39
1.860
−40.157
−65.765
1.00
53.77
MOL2
C


ATOM
6274
CD
GLN
D
39
3.308
−39.849
−65.454
1.00
63.42
MOL2
C


ATOM
6275
OE1
GLN
D
39
3.801
−38.728
−65.701
1.00
55.69
MOL2
O


ATOM
6276
NE2
GLN
D
39
4.010
−40.844
−64.922
1.00
67.76
MOL2
N


ATOM
6277
C
GLN
D
39
−0.744
−39.226
−66.796
1.00
60.85
MOL2
C


ATOM
6278
O
GLN
D
39
−0.403
−38.061
−66.559
1.00
58.46
MOL2
O


ATOM
6279
N
ALA
D
40
−1.870
−39.771
−66.338
1.00
64.05
MOL2
N


ATOM
6280
CA
ALA
D
40
−2.830
−39.028
−65.537
1.00
65.19
MOL2
C


ATOM
6281
CB
ALA
D
40
−4.008
−39.906
−65.248
1.00
71.21
MOL2
C


ATOM
6282
C
ALA
D
40
−2.197
−38.578
−64.242
1.00
68.48
MOL2
C


ATOM
6283
O
ALA
D
40
−1.424
−39.311
−63.649
1.00
74.09
MOL2
O


ATOM
6284
N
PRO
D
41
−2.531
−37.373
−63.768
1.00
73.48
MOL2
N


ATOM
6285
CD
PRO
D
41
−3.523
−36.419
−64.275
1.00
78.11
MOL2
C


ATOM
6286
CA
PRO
D
41
−1.946
−36.885
−62.517
1.00
79.78
MOL2
C


ATOM
6287
CB
PRO
D
41
−2.818
−35.687
−62.171
1.00
76.98
MOL2
C


ATOM
6288
CG
PRO
D
41
−3.152
−35.159
−63.505
1.00
81.73
MOL2
C


ATOM
6289
C
PRO
D
41
−1.926
−37.940
−61.411
1.00
83.13
MOL2
C


ATOM
6290
O
PRO
D
41
−2.927
−38.617
−61.135
1.00
85.49
MOL2
O


ATOM
6291
N
GLY
D
42
−0.762
−38.082
−60.793
1.00
80.93
MOL2
N


ATOM
6292
CA
GLY
D
42
−0.614
−39.051
−59.738
1.00
79.13
MOL2
C


ATOM
6293
C
GLY
D
42
−0.533
−40.467
−60.263
1.00
80.48
MOL2
C


ATOM
6294
O
GLY
D
42
0.230
−41.265
−59.733
1.00
89.17
MOL2
O


ATOM
6295
N
LYS
D
43
−1.297
−40.791
−61.302
1.00
76.33
MOL2
N


ATOM
6296
CA
LYS
D
43
−1.289
−42.147
−61.845
1.00
76.92
MOL2
C


ATOM
6297
CB
LYS
D
43
−2.559
−42.375
−62.669
1.00
87.60
MOL2
C


ATOM
6298
CG
LYS
D
43
−3.852
−42.332
−61.841
1.00
100.68
MOL2
C


ATOM
6299
CD
LYS
D
43
−3.882
−43.434
−60.770
1.00
111.98
MOL2
C


ATOM
6300
CE
LYS
D
43
−5.192
−43.448
−59.964
1.00
116.94
MOL2
C


ATOM
6301
NZ
LYS
D
43
−6.398
−43.856
−60.758
1.00
120.34
MOL2
N


ATOM
6302
C
LYS
D
43
−0.046
−42.572
−62.650
1.00
71.83
MOL2
C


ATOM
6303
O
LYS
D
43
0.917
−41.806
−62.805
1.00
65.21
MOL2
O


ATOM
6304
N
GLY
D
44
−0.083
−43.809
−63.147
1.00
67.68
MOL2
N


ATOM
6305
CA
GLY
D
44
1.027
−44.366
−63.905
1.00
68.58
MOL2
C


ATOM
6306
C
GLY
D
44
1.138
−43.967
−65.367
1.00
69.48
MOL2
C


ATOM
6307
O
GLY
D
44
0.738
−42.867
−65.756
1.00
74.59
MOL2
O


ATOM
6308
N
LEU
D
45
1.688
−44.858
−66.187
1.00
64.01
MOL2
N


ATOM
6309
CA
LEU
D
45
1.852
−44.557
−67.603
1.00
60.60
MOL2
C


ATOM
6310
CB
LEU
D
45
3.320
−44.748
−68.025
1.00
54.13
MOL2
C


ATOM
6311
CG
LEU
D
45
4.370
−43.830
−67.366
1.00
53.54
MOL2
C


ATOM
6312
CD1
LEU
D
45
5.787
−44.216
−67.791
1.00
44.54
MOL2
C


ATOM
6313
CD2
LEU
D
45
4.097
−42.397
−67.738
1.00
41.93
MOL2
C


ATOM
6314
C
LEU
D
45
0.938
−45.426
−68.453
1.00
64.12
MOL2
C


ATOM
6315
O
LEU
D
45
0.864
−46.641
−68.263
1.00
69.15
MOL2
O


ATOM
6316
N
GLU
D
46
0.235
−44.786
−69.382
1.00
64.42
MOL2
N


ATOM
6317
CA
GLU
D
46
−0.688
−45.471
−70.275
1.00
64.76
MOL2
C


ATOM
6318
CB
GLU
D
46
−2.119
−44.975
−70.049
1.00
71.52
MOL2
C


ATOM
6319
CG
GLU
D
46
−2.683
−45.278
−68.676
1.00
89.62
MOL2
C


ATOM
6320
CD
GLU
D
46
−3.848
−44.373
−68.310
1.00
100.48
MOL2
C


ATOM
6321
OE1
GLU
D
46
−4.866
−44.380
−69.042
1.00
101.04
MOL2
O


ATOM
6322
OE2
GLU
D
46
−3.739
−43.654
−67.284
1.00
108.36
MOL2
O


ATOM
6323
C
GLU
D
46
−0.286
−45.152
−71.694
1.00
62.81
MOL2
C


ATOM
6324
O
GLU
D
46
−0.028
−43.995
−72.031
1.00
55.53
MOL2
O


ATOM
6325
N
TRP
D
47
−0.226
−46.173
−72.535
1.00
65.54
MOL2
N


ATOM
6326
CA
TRP
D
47
0.124
−45.927
−73.917
1.00
65.61
MOL2
C


ATOM
6327
CB
TRP
D
47
0.730
−47.159
−74.551
1.00
62.17
MOL2
C


ATOM
6328
CG
TRP
D
47
0.787
−47.004
−76.002
1.00
65.07
MOL2
C


ATOM
6329
CD2
TRP
D
47
0.012
−47.719
−76.961
1.00
70.61
MOL2
C


ATOM
6330
CE2
TRP
D
47
0.336
−47.205
−78.225
1.00
72.82
MOL2
C


ATOM
6331
CE3
TRP
D
47
−0.929
−48.747
−76.873
1.00
74.31
MOL2
C


ATOM
6332
CD1
TRP
D
47
1.533
−46.109
−76.698
1.00
67.74
MOL2
C


ATOM
6333
NE1
TRP
D
47
1.270
−46.220
−78.040
1.00
73.44
MOL2
N


ATOM
6334
CZ2
TRP
D
47
−0.247
−47.683
−79.390
1.00
79.25
MOL2
C


ATOM
6335
CZ3
TRP
D
47
−1.504
−49.220
−78.031
1.00
75.33
MOL2
C


ATOM
6336
CH2
TRP
D
47
−1.163
−48.689
−79.272
1.00
78.23
MOL2
C


ATOM
6337
C
TRP
D
47
−1.112
−45.509
−74.709
1.00
67.66
MOL2
C


ATOM
6338
O
TRP
D
47
−2.158
−46.149
−74.642
1.00
72.85
MOL2
O


ATOM
6339
N
VAL
D
48
−0.988
−44.424
−75.457
1.00
65.33
MOL2
N


ATOM
6340
CA
VAL
D
48
−2.090
−43.923
−76.259
1.00
58.35
MOL2
C


ATOM
6341
CB
VAL
D
48
−1.967
−42.418
−76.437
1.00
54.66
MOL2
C


ATOM
6342
CG1
VAL
D
48
−2.995
−41.931
−77.412
1.00
49.86
MOL2
C


ATOM
6343
CG2
VAL
D
48
−2.119
−41.729
−75.091
1.00
57.15
MOL2
C


ATOM
6344
C
VAL
D
48
−2.122
−44.572
−77.637
1.00
61.39
MOL2
C


ATOM
6345
O
VAL
D
48
−2.918
−45.473
−77.888
1.00
64.06
MOL2
O


ATOM
6346
N
ALA
D
49
−1.254
−44.118
−78.531
1.00
63.57
MOL2
N


ATOM
6347
CA
ALA
D
49
−1.217
−44.668
−79.878
1.00
67.27
MOL2
C


ATOM
6348
CB
ALA
D
49
−2.186
−43.930
−80.753
1.00
67.63
MOL2
C


ATOM
6349
C
ALA
D
49
0.168
−44.580
−80.485
1.00
71.79
MOL2
C


ATOM
6350
O
ALA
D
49
1.030
−43.847
−79.995
1.00
73.85
MOL2
O


ATOM
6351
N
THR
D
50
0.369
−45.339
−81.558
1.00
72.05
MOL2
N


ATOM
6352
CA
THR
D
50
1.636
−45.349
−82.277
1.00
70.38
MOL2
C


ATOM
6353
CB
THR
D
50
2.541
−46.560
−81.866
1.00
70.10
MOL2
C


ATOM
6354
OG1
THR
D
50
3.552
−46.738
−82.861
1.00
83.42
MOL2
O


ATOM
6355
CG2
THR
D
50
1.760
−47.853
−81.757
1.00
64.64
MOL2
C


ATOM
6356
C
THR
D
50
1.370
−45.390
−83.786
1.00
66.34
MOL2
C


ATOM
6357
O
THR
D
50
0.409
−46.007
−84.228
1.00
72.25
MOL2
O


ATOM
6358
N
ILE
D
51
2.211
−44.715
−84.561
1.00
60.82
MOL2
N


ATOM
6359
CA
ILE
D
51
2.089
−44.659
−86.018
1.00
59.66
MOL2
C


ATOM
6360
CB
ILE
D
51
1.791
−43.226
−86.488
1.00
59.51
MOL2
C


ATOM
6361
CG2
ILE
D
51
2.830
−42.257
−85.943
1.00
45.70
MOL2
C


ATOM
6362
CG1
ILE
D
51
1.813
−43.161
−88.009
1.00
57.26
MOL2
C


ATOM
6363
CD1
ILE
D
51
1.666
−41.750
−88.529
1.00
60.49
MOL2
C


ATOM
6364
C
ILE
D
51
3.424
−45.079
−86.605
1.00
63.20
MOL2
C


ATOM
6365
O
ILE
D
51
4.465
−44.721
−86.055
1.00
72.07
MOL2
O


ATOM
6366
N
THR
D
52
3.429
−45.809
−87.717
1.00
58.77
MOL2
N


ATOM
6367
CA
THR
D
52
4.711
−46.242
−88.267
1.00
64.58
MOL2
C


ATOM
6368
CB
THR
D
52
4.577
−47.476
−89.140
1.00
67.42
MOL2
C


ATOM
6369
OG1
THR
D
52
4.114
−47.086
−90.435
1.00
79.19
MOL2
O


ATOM
6370
CG2
THR
D
52
3.609
−48.463
−88.516
1.00
68.84
MOL2
C


ATOM
6371
C
THR
D
52
5.469
−45.195
−89.067
1.00
67.67
MOL2
C


ATOM
6372
O
THR
D
52
4.945
−44.136
−89.384
1.00
73.88
MOL2
O


ATOM
6373
N
TYR
D
53
6.715
−45.508
−89.396
1.00
73.17
MOL2
N


ATOM
6374
CA
TYR
D
53
7.584
−44.595
−90.133
1.00
81.30
MOL2
C


ATOM
6375
CB
TYR
D
53
8.954
−45.247
−90.337
1.00
81.09
MOL2
C


ATOM
6376
CG
TYR
D
53
8.931
−46.494
−91.195
1.00
75.76
MOL2
C


ATOM
6377
CD1
TYR
D
53
9.213
−46.436
−92.557
1.00
69.59
MOL2
C


ATOM
6378
CE1
TYR
D
53
9.211
−47.572
−93.332
1.00
68.27
MOL2
C


ATOM
6379
CD2
TYR
D
53
8.639
−47.732
−90.639
1.00
75.59
MOL2
C


ATOM
6380
CE2
TYR
D
53
8.632
−48.874
−91.408
1.00
74.16
MOL2
C


ATOM
6381
CZ
TYR
D
53
8.921
−48.790
−92.751
1.00
73.12
MOL2
C


ATOM
6382
OH
TYR
D
53
8.936
−49.940
−93.502
1.00
77.65
MOL2
O


ATOM
6383
C
TYR
D
53
7.041
−44.130
−91.478
1.00
86.35
MOL2
C


ATOM
6384
O
TYR
D
53
7.011
−42.931
−91.763
1.00
85.84
MOL2
O


ATOM
6385
N
GLU
D
54
6.636
−45.090
−92.305
1.00
92.68
MOL2
N


ATOM
6386
CA
GLU
D
54
6.086
−44.825
−93.633
1.00
95.67
MOL2
C


ATOM
6387
CB
GLU
D
54
5.591
−46.135
−94.237
1.00
98.17
MOL2
C


ATOM
6388
CG
GLU
D
54
4.537
−46.831
−93.382
1.00
103.97
MOL2
C


ATOM
6389
CD
GLU
D
54
4.883
−48.285
−93.112
1.00
112.26
MOL2
C


ATOM
6390
OE1
GLU
D
54
4.140
−48.960
−92.361
1.00
114.82
MOL2
O


ATOM
6391
OE2
GLU
D
54
5.904
−48.756
−93.658
1.00
115.58
MOL2
O


ATOM
6392
C
GLU
D
54
4.917
−43.858
−93.508
1.00
95.71
MOL2
C


ATOM
6393
O
GLU
D
54
4.665
−43.033
−94.389
1.00
92.35
MOL2
O


ATOM
6394
N
GLY
D
55
4.199
−43.987
−92.399
1.00
96.32
MOL2
N


ATOM
6395
CA
GLY
D
55
3.066
−43.129
−92.141
1.00
95.86
MOL2
C


ATOM
6396
C
GLY
D
55
1.754
−43.803
−92.463
1.00
99.83
MOL2
C


ATOM
6397
O
GLY
D
55
0.706
−43.162
−92.397
1.00
100.50
MOL2
O


ATOM
6398
N
ARG
D
56
1.789
−45.086
−92.810
1.00
101.58
MOL2
N


ATOM
6399
CA
ARG
D
56
0.547
−45.768
−93.141
1.00
107.62
MOL2
C


ATOM
6400
CB
ARG
D
56
0.512
−46.141
−94.626
1.00
120.65
MOL2
C


ATOM
6401
CG
ARG
D
56
−0.912
−46.353
−95.176
1.00
134.36
MOL2
C


ATOM
6402
CD
ARG
D
56
−1.736
−45.047
−95.179
1.00
140.80
MOL2
C


ATOM
6403
NE
ARG
D
56
−3.118
−45.228
−95.637
1.00
145.28
MOL2
N


ATOM
6404
CZ
ARG
D
56
−4.144
−45.563
−94.854
1.00
146.77
MOL2
C


ATOM
6405
NH1
ARG
D
56
−3.964
−45.757
−93.549
1.00
145.89
MOL2
N


ATOM
6406
NH2
ARG
D
56
−5.357
−45.707
−95.380
1.00
144.12
MOL2
N


ATOM
6407
C
ARG
D
56
0.300
−47.002
−92.303
1.00
103.95
MOL2
C


ATOM
6408
O
ARG
D
56
0.527
−48.126
−92.748
1.00
104.42
MOL2
O


ATOM
6409
N
ASN
D
57
−0.179
−46.763
−91.088
1.00
101.45
MOL2
N


ATOM
6410
CA
ASN
D
57
−0.503
−47.800
−90.117
1.00
98.58
MOL2
C


ATOM
6411
CB
ASN
D
57
0.499
−48.949
−90.176
1.00
100.68
MOL2
C


ATOM
6412
CG
ASN
D
57
−0.112
−50.208
−90.740
1.00
103.67
MOL2
C


ATOM
6413
OD1
ASN
D
57
−1.112
−50.707
−90.217
1.00
103.03
MOL2
O


ATOM
6414
ND2
ASN
D
57
0.477
−50.729
−91.816
1.00
102.70
MOL2
N


ATOM
6415
C
ASN
D
57
−0.518
−47.216
−88.718
1.00
94.68
MOL2
C


ATOM
6416
O
ASN
D
57
0.530
−46.956
−88.128
1.00
94.60
MOL2
O


ATOM
6417
N
THR
D
58
−1.718
−46.993
−88.199
1.00
90.14
MOL2
N


ATOM
6418
CA
THR
D
58
−1.873
−46.442
−86.861
1.00
90.16
MOL2
C


ATOM
6419
CB
THR
D
58
−2.844
−45.271
−86.835
1.00
89.77
MOL2
C


ATOM
6420
OG1
THR
D
58
−4.171
−45.757
−87.075
1.00
86.89
MOL2
O


ATOM
6421
CG2
THR
D
58
−2.465
−44.246
−87.890
1.00
89.64
MOL2
C


ATOM
6422
C
THR
D
58
−2.457
−47.535
−85.992
1.00
91.44
MOL2
C


ATOM
6423
O
THR
D
58
−3.041
−48.484
−86.517
1.00
92.68
MOL2
O


ATOM
6424
N
TYR
D
59
−2.319
−47.419
−84.671
1.00
91.79
MOL2
N


ATOM
6425
CA
TYR
D
59
−2.869
−48.461
−83.822
1.00
92.64
MOL2
C


ATOM
6426
CB
TYR
D
59
−1.749
−49.320
−83.269
1.00
91.25
MOL2
C


ATOM
6427
CG
TYR
D
59
−1.160
−50.188
−84.359
1.00
94.38
MOL2
C


ATOM
6428
CD1
TYR
D
59
−0.217
−49.680
−85.243
1.00
95.77
MOL2
C


ATOM
6429
CE1
TYR
D
59
0.300
−50.450
−86.269
1.00
96.30
MOL2
C


ATOM
6430
CD2
TYR
D
59
−1.576
−51.501
−84.532
1.00
93.99
MOL2
C


ATOM
6431
CE2
TYR
D
59
−1.065
−52.281
−85.557
1.00
99.36
MOL2
C


ATOM
6432
CZ
TYR
D
59
−0.123
−51.749
−86.424
1.00
99.00
MOL2
C


ATOM
6433
OH
TYR
D
59
0.409
−52.514
−87.443
1.00
99.74
MOL2
O


ATOM
6434
C
TYR
D
59
−3.867
−48.102
−82.735
1.00
93.37
MOL2
C


ATOM
6435
O
TYR
D
59
−4.913
−48.750
−82.641
1.00
96.61
MOL2
O


ATOM
6436
N
TYR
D
60
−3.576
−47.099
−81.915
1.00
90.48
MOL2
N


ATOM
6437
CA
TYR
D
60
−4.528
−46.683
−80.866
1.00
89.79
MOL2
C


ATOM
6438
CB
TYR
D
60
−5.837
−46.165
−81.493
1.00
77.88
MOL2
C


ATOM
6439
CG
TYR
D
60
−5.663
−45.067
−82.515
1.00
68.52
MOL2
C


ATOM
6440
CD1
TYR
D
60
−5.633
−45.354
−83.868
1.00
64.19
MOL2
C


ATOM
6441
CE1
TYR
D
60
−5.407
−44.366
−84.798
1.00
63.93
MOL2
C


ATOM
6442
CD2
TYR
D
60
−5.469
−43.749
−82.120
1.00
66.79
MOL2
C


ATOM
6443
CE2
TYR
D
60
−5.239
−42.752
−83.046
1.00
60.35
MOL2
C


ATOM
6444
CZ
TYR
D
60
−5.206
−43.068
−84.380
1.00
62.83
MOL2
C


ATOM
6445
OH
TYR
D
60
−4.941
−42.088
−85.304
1.00
62.53
MOL2
O


ATOM
6446
C
TYR
D
60
−4.910
−47.703
−79.776
1.00
91.68
MOL2
C


ATOM
6447
O
TYR
D
60
−4.931
−48.921
−79.983
1.00
94.46
MOL2
O


ATOM
6448
N
ARG
D
61
−5.247
−47.164
−78.614
1.00
90.81
MOL2
N


ATOM
6449
CA
ARG
D
61
−5.641
−47.944
−77.457
1.00
94.73
MOL2
C


ATOM
6450
CB
ARG
D
61
−5.288
−47.146
−76.213
1.00
95.67
MOL2
C


ATOM
6451
CG
ARG
D
61
−5.768
−47.721
−74.905
1.00
100.42
MOL2
C


ATOM
6452
CD
ARG
D
61
−5.581
−46.685
−73.814
1.00
100.21
MOL2
C


ATOM
6453
NE
ARG
D
61
−5.327
−47.288
−72.515
1.00
98.24
MOL2
N


ATOM
6454
CZ
ARG
D
61
−5.114
−46.582
−71.415
1.00
101.13
MOL2
C


ATOM
6455
NH1
ARG
D
61
−5.131
−45.257
−71.476
1.00
102.89
MOL2
N


ATOM
6456
NH2
ARG
D
61
−4.876
−47.194
−70.263
1.00
101.10
MOL2
N


ATOM
6457
C
ARG
D
61
−7.144
−48.157
−77.501
1.00
101.27
MOL2
C


ATOM
6458
O
ARG
D
61
−7.882
−47.234
−77.842
1.00
106.90
MOL2
O


ATOM
6459
N
ASP
D
62
−7.614
−49.354
−77.162
1.00
104.77
MOL2
N


ATOM
6460
CA
ASP
D
62
−9.060
−49.592
−77.167
1.00
102.92
MOL2
C


ATOM
6461
CB
ASP
D
62
−9.385
−51.071
−76.934
1.00
108.77
MOL2
C


ATOM
6462
CG
ASP
D
62
−9.107
−51.927
−78.159
1.00
118.71
MOL2
C


ATOM
6463
OD1
ASP
D
62
−9.686
−51.635
−79.231
1.00
121.33
MOL2
O


ATOM
6464
OD2
ASP
D
62
−8.312
−52.888
−78.054
1.00
122.02
MOL2
O


ATOM
6465
C
ASP
D
62
−9.693
−48.752
−76.074
1.00
97.24
MOL2
C


ATOM
6466
O
ASP
D
62
−10.092
−49.275
−75.042
1.00
98.94
MOL2
O


ATOM
6467
N
SER
D
63
−9.770
−47.447
−76.308
1.00
92.08
MOL2
N


ATOM
6468
CA
SER
D
63
−10.346
−46.514
−75.345
1.00
90.99
MOL2
C


ATOM
6469
CB
SER
D
63
−9.567
−46.522
−74.033
1.00
93.68
MOL2
C


ATOM
6470
OG
SER
D
63
−9.989
−45.447
−73.210
1.00
93.02
MOL2
O


ATOM
6471
C
SER
D
63
−10.358
−45.096
−75.880
1.00
90.23
MOL2
C


ATOM
6472
O
SER
D
63
−10.830
−44.174
−75.211
1.00
87.81
MOL2
O


ATOM
6473
N
VAL
D
64
−9.798
−44.919
−77.071
1.00
89.75
MOL2
N


ATOM
6474
CA
VAL
D
64
−9.780
−43.613
−77.718
1.00
88.97
MOL2
C


ATOM
6475
CB
VAL
D
64
−8.539
−42.757
−77.355
1.00
79.69
MOL2
C


ATOM
6476
CG1
VAL
D
64
−8.510
−42.484
−75.875
1.00
78.62
MOL2
C


ATOM
6477
CG2
VAL
D
64
−7.283
−43.444
−77.803
1.00
80.89
MOL2
C


ATOM
6478
C
VAL
D
64
−9.799
−43.810
−79.216
1.00
92.31
MOL2
C


ATOM
6479
O
VAL
D
64
−9.427
−42.912
−79.970
1.00
93.73
MOL2
O


ATOM
6480
N
LYS
D
65
−10.231
−44.991
−79.646
1.00
95.44
MOL2
N


ATOM
6481
CA
LYS
D
65
−10.302
−45.274
−81.068
1.00
104.70
MOL2
C


ATOM
6482
CB
LYS
D
65
−10.561
−46.767
−81.295
1.00
110.03
MOL2
C


ATOM
6483
CG
LYS
D
65
−10.427
−47.214
−82.750
1.00
120.86
MOL2
C


ATOM
6484
CD
LYS
D
65
−10.767
−48.697
−82.898
1.00
131.56
MOL2
C


ATOM
6485
CE
LYS
D
65
−10.699
−49.167
−84.351
1.00
134.98
MOL2
C


ATOM
6486
NZ
LYS
D
65
−11.066
−50.612
−84.486
1.00
134.04
MOL2
N


ATOM
6487
C
LYS
D
65
−11.423
−44.420
−81.677
1.00
107.60
MOL2
C


ATOM
6488
O
LYS
D
65
−12.437
−44.143
−81.025
1.00
106.75
MOL2
O


ATOM
6489
N
GLY
D
66
−11.227
−43.987
−82.920
1.00
108.89
MOL2
N


ATOM
6490
CA
GLY
D
66
−12.226
−43.163
−83.579
1.00
108.07
MOL2
C


ATOM
6491
C
GLY
D
66
−12.202
−41.732
−83.069
1.00
108.09
MOL2
C


ATOM
6492
O
GLY
D
66
−12.325
−40.778
−83.853
1.00
111.82
MOL2
O


ATOM
6493
N
ARG
D
67
−12.031
−41.583
−81.756
1.00
100.42
MOL2
N


ATOM
6494
CA
ARG
D
67
−11.997
−40.271
−81.119
1.00
96.02
MOL2
C


ATOM
6495
CB
ARG
D
67
−12.311
−40.427
−79.633
1.00
92.86
MOL2
C


ATOM
6496
CG
ARG
D
67
−12.980
−41.756
−79.325
1.00
93.72
MOL2
C


ATOM
6497
CD
ARG
D
67
−13.668
−41.794
−77.965
1.00
97.60
MOL2
C


ATOM
6498
NE
ARG
D
67
−12.752
−41.696
−76.830
1.00
100.96
MOL2
N


ATOM
6499
CZ
ARG
D
67
−12.272
−40.556
−76.340
1.00
102.31
MOL2
C


ATOM
6500
NH1
ARG
D
67
−11.443
−40.583
−75.301
1.00
95.79
MOL2
N


ATOM
6501
NH2
ARG
D
67
−12.624
−39.392
−76.879
1.00
99.79
MOL2
N


ATOM
6502
C
ARG
D
67
−10.643
−39.592
−81.313
1.00
97.11
MOL2
C


ATOM
6503
O
ARG
D
67
−10.574
−38.372
−81.491
1.00
96.74
MOL2
O


ATOM
6504
N
PHE
D
68
−9.573
−40.387
−81.280
1.00
95.76
MOL2
N


ATOM
6505
CA
PHE
D
68
−8.216
−39.876
−81.464
1.00
92.42
MOL2
C


ATOM
6506
CB
PHE
D
68
−7.263
−40.475
−80.427
1.00
91.66
MOL2
C


ATOM
6507
CG
PHE
D
68
−7.269
−39.756
−79.106
1.00
93.60
MOL2
C


ATOM
6508
CD1
PHE
D
68
−7.987
−38.589
−78.939
1.00
91.22
MOL2
C


ATOM
6509
CD2
PHE
D
68
−6.535
−40.239
−78.035
1.00
94.01
MOL2
C


ATOM
6510
CE1
PHE
D
68
−7.970
−37.924
−77.735
1.00
88.23
MOL2
C


ATOM
6511
CE2
PHE
D
68
−6.517
−39.571
−76.828
1.00
90.67
MOL2
C


ATOM
6512
CZ
PHE
D
68
−7.234
−38.413
−76.681
1.00
87.13
MOL2
C


ATOM
6513
C
PHE
D
68
−7.707
−40.204
−82.857
1.00
90.96
MOL2
C


ATOM
6514
O
PHE
D
68
−8.232
−41.104
−83.523
1.00
87.76
MOL2
O


ATOM
6515
N
THR
D
69
−6.675
−39.473
−83.279
1.00
90.57
MOL2
N


ATOM
6516
CA
THR
D
69
−6.069
−39.647
−84.595
1.00
91.01
MOL2
C


ATOM
6517
CB
THR
D
69
−6.830
−38.814
−85.658
1.00
102.06
MOL2
C


ATOM
6518
OG1
THR
D
69
−8.195
−39.262
−85.735
1.00
110.64
MOL2
O


ATOM
6519
CG2
THR
D
69
−6.166
−38.948
−87.030
1.00
104.69
MOL2
C


ATOM
6520
C
THR
D
69
−4.598
−39.222
−84.595
1.00
82.97
MOL2
C


ATOM
6521
O
THR
D
69
−4.284
−38.044
−84.439
1.00
75.27
MOL2
O


ATOM
6522
N
ILE
D
70
−3.705
−40.191
−84.779
1.00
80.23
MOL2
N


ATOM
6523
CA
ILE
D
70
−2.264
−39.944
−84.799
1.00
77.34
MOL2
C


ATOM
6524
CB
ILE
D
70
−1.502
−41.109
−84.119
1.00
79.22
MOL2
C


ATOM
6525
CG2
ILE
D
70
−1.609
−42.366
−84.980
1.00
75.94
MOL2
C


ATOM
6526
CG1
ILE
D
70
−0.040
−40.718
−83.864
1.00
78.09
MOL2
C


ATOM
6527
CD1
ILE
D
70
0.751
−41.757
−83.079
1.00
70.08
MOL2
C


ATOM
6528
C
ILE
D
70
−1.770
−39.790
−86.236
1.00
75.49
MOL2
C


ATOM
6529
O
ILE
D
70
−2.178
−40.531
−87.129
1.00
74.46
MOL2
O


ATOM
6530
N
SER
D
71
−0.875
−38.836
−86.455
1.00
74.47
MOL2
N


ATOM
6531
CA
SER
D
71
−0.372
−38.586
−87.799
1.00
76.63
MOL2
C


ATOM
6532
CB
SER
D
71
−1.278
−37.584
−88.484
1.00
82.72
MOL2
C


ATOM
6533
OG
SER
D
71
−1.178
−36.331
−87.812
1.00
80.06
MOL2
O


ATOM
6534
C
SER
D
71
1.019
−37.984
−87.776
1.00
77.66
MOL2
C


ATOM
6535
O
SER
D
71
1.397
−37.343
−86.793
1.00
76.58
MOL2
O


ATOM
6536
N
ARG
D
72
1.758
−38.153
−88.875
1.00
74.37
MOL2
N


ATOM
6537
CA
ARG
D
72
3.104
−37.591
−88.979
1.00
75.79
MOL2
C


ATOM
6538
CB
ARG
D
72
4.164
−38.665
−88.730
1.00
70.15
MOL2
C


ATOM
6539
CG
ARG
D
72
4.143
−39.800
−89.717
1.00
72.34
MOL2
C


ATOM
6540
CD
ARG
D
72
4.925
−40.991
−89.201
1.00
69.56
MOL2
C


ATOM
6541
NE
ARG
D
72
6.348
−40.709
−89.071
1.00
73.65
MOL2
N


ATOM
6542
CZ
ARG
D
72
7.192
−41.476
−88.388
1.00
77.79
MOL2
C


ATOM
6543
NH1
ARG
D
72
6.746
−42.565
−87.774
1.00
77.00
MOL2
N


ATOM
6544
NH2
ARG
D
72
8.479
−41.157
−88.316
1.00
77.02
MOL2
N


ATOM
6545
C
ARG
D
72
3.351
−36.924
−90.327
1.00
79.00
MOL2
C


ATOM
6546
O
ARG
D
72
2.566
−37.088
−91.267
1.00
80.72
MOL2
O


ATOM
6547
N
ASP
D
73
4.455
−36.183
−90.410
1.00
82.17
MOL2
N


ATOM
6548
CA
ASP
D
73
4.832
−35.450
−91.615
1.00
87.06
MOL2
C


ATOM
6549
CB
ASP
D
73
5.075
−33.983
−91.238
1.00
91.76
MOL2
C


ATOM
6550
CG
ASP
D
73
4.737
−33.015
−92.363
1.00
99.70
MOL2
C


ATOM
6551
OD1
ASP
D
73
4.754
−31.786
−92.108
1.00
100.05
MOL2
O


ATOM
6552
OD2
ASP
D
73
4.457
−33.476
−93.495
1.00
101.53
MOL2
O


ATOM
6553
C
ASP
D
73
6.084
−36.020
−92.290
1.00
87.31
MOL2
C


ATOM
6554
O
ASP
D
73
6.133
−36.178
−93.509
1.00
93.87
MOL2
O


ATOM
6555
N
ASN
D
74
7.094
−36.328
−91.487
1.00
84.23
MOL2
N


ATOM
6556
CA
ASN
D
74
8.351
−36.850
−91.999
1.00
79.42
MOL2
C


ATOM
6557
CB
ASN
D
74
8.115
−37.996
−92.963
1.00
72.75
MOL2
C


ATOM
6558
CG
ASN
D
74
7.733
−39.255
−92.251
1.00
73.16
MOL2
C


ATOM
6559
OD1
ASN
D
74
7.630
−40.318
−92.853
1.00
80.95
MOL2
O


ATOM
6560
ND2
ASN
D
74
7.519
−39.146
−90.948
1.00
68.82
MOL2
N


ATOM
6561
C
ASN
D
74
9.090
−35.723
−92.677
1.00
81.64
MOL2
C


ATOM
6562
O
ASN
D
74
10.296
−35.799
−92.909
1.00
87.26
MOL2
O


ATOM
6563
N
ALA
D
75
8.345
−34.681
−93.015
1.00
77.76
MOL2
N


ATOM
6564
CA
ALA
D
75
8.923
−33.491
−93.592
1.00
76.86
MOL2
C


ATOM
6565
CB
ALA
D
75
8.081
−33.000
−94.724
1.00
71.80
MOL2
C


ATOM
6566
C
ALA
D
75
8.761
−32.611
−92.364
1.00
84.05
MOL2
C


ATOM
6567
O
ALA
D
75
7.855
−32.850
−91.554
1.00
81.14
MOL2
O


ATOM
6568
N
LYS
D
76
9.635
−31.626
−92.195
1.00
90.91
MOL2
N


ATOM
6569
CA
LYS
D
76
9.582
−30.745
−91.021
1.00
98.36
MOL2
C


ATOM
6570
CB
LYS
D
76
8.387
−29.779
−91.114
1.00
103.87
MOL2
C


ATOM
6571
CG
LYS
D
76
8.652
−28.418
−90.455
1.00
109.13
MOL2
C


ATOM
6572
CD
LYS
D
76
7.739
−27.316
−91.012
1.00
115.11
MOL2
C


ATOM
6573
CE
LYS
D
76
8.117
−25.936
−90.450
1.00
116.96
MOL2
C


ATOM
6574
NZ
LYS
D
76
7.366
−24.796
−91.063
1.00
109.06
MOL2
N


ATOM
6575
C
LYS
D
76
9.555
−31.533
−89.690
1.00
96.32
MOL2
C


ATOM
6576
O
LYS
D
76
9.290
−30.967
−88.622
1.00
97.98
MOL2
O


ATOM
6577
N
ASN
D
77
9.832
−32.837
−89.780
1.00
90.60
MOL2
N


ATOM
6578
CA
ASN
D
77
9.923
−33.741
−88.630
1.00
80.86
MOL2
C


ATOM
6579
CB
ASN
D
77
11.292
−33.577
−87.936
1.00
86.75
MOL2
C


ATOM
6580
CG
ASN
D
77
12.456
−33.342
−88.912
1.00
87.19
MOL2
C


ATOM
6581
OD1
ASN
D
77
13.420
−32.625
−88.588
1.00
78.03
MOL2
O


ATOM
6582
ND2
ASN
D
77
12.386
−33.959
−90.091
1.00
87.81
MOL2
N


ATOM
6583
C
ASN
D
77
8.868
−33.504
−87.565
1.00
73.53
MOL2
C


ATOM
6584
O
ASN
D
77
9.196
−32.963
−86.514
1.00
76.79
MOL2
O


ATOM
6585
N
SER
D
78
7.623
−33.897
−87.786
1.00
63.94
MOL2
N


ATOM
6586
CA
SER
D
78
6.628
−33.653
−86.743
1.00
56.85
MOL2
C


ATOM
6587
CB
SER
D
78
5.863
−32.354
−87.005
1.00
59.67
MOL2
C


ATOM
6588
OG
SER
D
78
6.551
−31.227
−86.488
1.00
63.76
MOL2
O


ATOM
6589
C
SER
D
78
5.644
−34.772
−86.520
1.00
50.99
MOL2
C


ATOM
6590
O
SER
D
78
5.284
−35.496
−87.443
1.00
48.98
MOL2
O


ATOM
6591
N
LEU
D
79
5.209
−34.885
−85.272
1.00
46.07
MOL2
N


ATOM
6592
CA
LEU
D
79
4.279
−35.912
−84.849
1.00
50.82
MOL2
C


ATOM
6593
CB
LEU
D
79
4.934
−36.741
−83.755
1.00
43.72
MOL2
C


ATOM
6594
CG
LEU
D
79
4.076
−37.885
−83.244
1.00
46.89
MOL2
C


ATOM
6595
CD1
LEU
D
79
3.956
−38.948
−84.311
1.00
36.23
MOL2
C


ATOM
6596
CD2
LEU
D
79
4.702
−38.440
−81.987
1.00
54.82
MOL2
C


ATOM
6597
C
LEU
D
79
3.042
−35.221
−84.297
1.00
57.32
MOL2
C


ATOM
6598
O
LEU
D
79
3.165
−34.319
−83.467
1.00
63.41
MOL2
O


ATOM
6599
N
TYR
D
80
1.855
−35.652
−84.725
1.00
59.14
MOL2
N


ATOM
6600
CA
TYR
D
80
0.620
−35.016
−84.274
1.00
58.02
MOL2
C


ATOM
6601
CB
TYR
D
80
−0.059
−34.341
−85.453
1.00
60.14
MOL2
C


ATOM
6602
CG
TYR
D
80
0.807
−33.393
−86.229
1.00
54.99
MOL2
C


ATOM
6603
CD1
TYR
D
80
1.178
−32.170
−85.683
1.00
52.64
MOL2
C


ATOM
6604
CE1
TYR
D
80
1.939
−31.278
−86.402
1.00
59.89
MOL2
C


ATOM
6605
CD2
TYR
D
80
1.228
−33.706
−87.523
1.00
47.37
MOL2
C


ATOM
6606
CE2
TYR
D
80
1.992
−32.821
−88.252
1.00
52.27
MOL2
C


ATOM
6607
CZ
TYR
D
80
2.344
−31.603
−87.686
1.00
59.50
MOL2
C


ATOM
6608
OH
TYR
D
80
3.098
−30.691
−88.391
1.00
64.84
MOL2
O


ATOM
6609
C
TYR
D
80
−0.396
−35.957
−83.665
1.00
59.54
MOL2
C


ATOM
6610
O
TYR
D
80
−0.469
−37.137
−84.037
1.00
58.51
MOL2
O


ATOM
6611
N
LEU
D
81
−1.195
−35.416
−82.744
1.00
60.10
MOL2
N


ATOM
6612
CA
LEU
D
81
−2.271
−36.185
−82.126
1.00
67.71
MOL2
C


ATOM
6613
CB
LEU
D
81
−1.956
−36.545
−80.669
1.00
62.82
MOL2
C


ATOM
6614
CG
LEU
D
81
−2.938
−37.601
−80.125
1.00
61.33
MOL2
C


ATOM
6615
CD1
LEU
D
81
−2.759
−38.913
−80.868
1.00
45.84
MOL2
C


ATOM
6616
CD2
LEU
D
81
−2.724
−37.810
−78.642
1.00
65.24
MOL2
C


ATOM
6617
C
LEU
D
81
−3.561
−35.360
−82.184
1.00
71.66
MOL2
C


ATOM
6618
O
LEU
D
81
−3.623
−34.248
−81.641
1.00
62.04
MOL2
O


ATOM
6619
N
GLN
D
82
−4.575
−35.905
−82.865
1.00
78.53
MOL2
N


ATOM
6620
CA
GLN
D
82
−5.869
−35.236
−82.999
1.00
82.97
MOL2
C


ATOM
6621
CB
GLN
D
82
−6.431
−35.399
−84.418
1.00
88.33
MOL2
C


ATOM
6622
CG
GLN
D
82
−7.588
−34.445
−84.723
1.00
84.59
MOL2
C


ATOM
6623
CD
GLN
D
82
−7.160
−32.983
−84.694
1.00
82.81
MOL2
C


ATOM
6624
OE1
GLN
D
82
−6.554
−32.483
−85.643
1.00
87.05
MOL2
O


ATOM
6625
NE2
GLN
D
82
−7.464
−32.298
−83.599
1.00
72.36
MOL2
N


ATOM
6626
C
GLN
D
82
−6.849
−35.823
−81.992
1.00
81.23
MOL2
C


ATOM
6627
O
GLN
D
82
−7.336
−36.948
−82.150
1.00
75.67
MOL2
O


ATOM
6628
N
MET
D
83
−7.130
−35.040
−80.959
1.00
82.00
MOL2
N


ATOM
6629
CA
MET
D
83
−8.024
−35.448
−79.890
1.00
86.17
MOL2
C


ATOM
6630
CB
MET
D
83
−7.446
−34.980
−78.541
1.00
88.02
MOL2
C


ATOM
6631
CG
MET
D
83
−6.007
−35.464
−78.206
1.00
80.98
MOL2
C


ATOM
6632
SD
MET
D
83
−5.522
−35.280
−76.425
1.00
79.63
MOL2
S


ATOM
6633
CE
MET
D
83
−4.961
−33.553
−76.357
1.00
52.91
MOL2
C


ATOM
6634
C
MET
D
83
−9.443
−34.886
−80.061
1.00
91.51
MOL2
C


ATOM
6635
O
MET
D
83
−9.687
−33.714
−79.761
1.00
87.76
MOL2
O


ATOM
6636
N
ASN
D
84
−10.370
−35.726
−80.532
1.00
96.49
MOL2
N


ATOM
6637
CA
ASN
D
84
−11.769
−35.331
−80.739
1.00
99.14
MOL2
C


ATOM
6638
CB
ASN
D
84
−12.297
−35.848
−82.084
1.00
95.82
MOL2
C


ATOM
6639
CG
ASN
D
84
−11.383
−35.533
−83.243
1.00
93.42
MOL2
C


ATOM
6640
OD1
ASN
D
84
−10.973
−34.386
−83.436
1.00
86.04
MOL2
O


ATOM
6641
ND2
ASN
D
84
−11.072
−36.554
−84.040
1.00
94.89
MOL2
N


ATOM
6642
C
ASN
D
84
−12.653
−35.927
−79.649
1.00
103.46
MOL2
C


ATOM
6643
O
ASN
D
84
−12.306
−36.954
−79.062
1.00
107.51
MOL2
O


ATOM
6644
N
SER
D
85
−13.804
−35.305
−79.398
1.00
105.03
MOL2
N


ATOM
6645
CA
SER
D
85
−14.740
−35.813
−78.392
1.00
107.26
MOL2
C


ATOM
6646
CB
SER
D
85
−15.378
−37.132
−78.866
1.00
111.39
MOL2
C


ATOM
6647
OG
SER
D
85
−16.139
−36.967
−80.052
1.00
116.59
MOL2
O


ATOM
6648
C
SER
D
85
−14.032
−36.065
−77.067
1.00
104.93
MOL2
C


ATOM
6649
O
SER
D
85
−14.312
−37.052
−76.378
1.00
105.14
MOL2
O


ATOM
6650
N
LEU
D
86
−13.113
−35.174
−76.720
1.00
99.33
MOL2
N


ATOM
6651
CA
LEU
D
86
−12.354
−35.304
−75.486
1.00
98.56
MOL2
C


ATOM
6652
CB
LEU
D
86
−11.593
−34.007
−75.189
1.00
98.51
MOL2
C


ATOM
6653
CG
LEU
D
86
−10.273
−33.733
−75.920
1.00
99.69
MOL2
C


ATOM
6654
CD1
LEU
D
86
−9.790
−32.325
−75.618
1.00
96.54
MOL2
C


ATOM
6655
CD2
LEU
D
86
−9.231
−34.743
−75.481
1.00
98.93
MOL2
C


ATOM
6656
C
LEU
D
86
−13.202
−35.643
−74.272
1.00
98.72
MOL2
C


ATOM
6657
O
LEU
D
86
−13.931
−34.790
−73.778
1.00
98.95
MOL2
O


ATOM
6658
N
ARG
D
87
−13.111
−36.883
−73.794
1.00
101.21
MOL2
N


ATOM
6659
CA
ARG
D
87
−13.843
−37.291
−72.594
1.00
101.51
MOL2
C


ATOM
6660
CB
ARG
D
87
−13.814
−38.819
−72.419
1.00
105.31
MOL2
C


ATOM
6661
CG
ARG
D
87
−14.538
−39.626
−73.504
1.00
113.87
MOL2
C


ATOM
6662
CD
ARG
D
87
−16.036
−39.755
−73.237
1.00
125.62
MOL2
C


ATOM
6663
NE
ARG
D
87
−16.714
−40.567
−74.249
1.00
134.03
MOL2
N


ATOM
6664
CZ
ARG
D
87
−18.010
−40.878
−74.227
1.00
137.45
MOL2
C


ATOM
6665
NH1
ARG
D
87
−18.788
−40.449
−73.240
1.00
138.83
MOL2
N


ATOM
6666
NH2
ARG
D
87
−18.530
−41.622
−75.196
1.00
137.42
MOL2
N


ATOM
6667
C
ARG
D
87
−13.105
−36.621
−71.428
1.00
98.36
MOL2
C


ATOM
6668
O
ARG
D
87
−12.152
−35.875
−71.640
1.00
94.50
MOL2
O


ATOM
6669
N
ALA
D
88
−13.533
−36.885
−70.202
1.00
98.54
MOL2
N


ATOM
6670
CA
ALA
D
88
−12.891
−36.278
−69.044
1.00
100.19
MOL2
C


ATOM
6671
CB
ALA
D
88
−13.930
−36.014
−67.968
1.00
103.20
MOL2
C


ATOM
6672
C
ALA
D
88
−11.786
−37.181
−68.500
1.00
101.21
MOL2
C


ATOM
6673
O
ALA
D
88
−10.823
−36.717
−67.872
1.00
95.02
MOL2
O


ATOM
6674
N
GLU
D
89
−11.938
−38.478
−68.746
1.00
100.97
MOL2
N


ATOM
6675
CA
GLU
D
89
−10.964
−39.454
−68.290
1.00
101.58
MOL2
C


ATOM
6676
CB
GLU
D
89
−11.575
−40.863
−68.315
1.00
104.95
MOL2
C


ATOM
6677
CG
GLU
D
89
−11.812
−41.452
−69.702
1.00
111.56
MOL2
C


ATOM
6678
CD
GLU
D
89
−12.453
−42.838
−69.654
1.00
117.47
MOL2
C


ATOM
6679
OE1
GLU
D
89
−12.602
−43.472
−70.724
1.00
117.62
MOL2
O


ATOM
6680
OE2
GLU
D
89
−12.813
−43.294
−68.545
1.00
120.03
MOL2
O


ATOM
6681
C
GLU
D
89
−9.718
−39.404
−69.172
1.00
100.85
MOL2
C


ATOM
6682
O
GLU
D
89
−8.835
−40.258
−69.063
1.00
104.28
MOL2
O


ATOM
6683
N
ASP
D
90
−9.648
−38.398
−70.042
1.00
96.71
MOL2
N


ATOM
6684
CA
ASP
D
90
−8.510
−38.248
−70.941
1.00
88.61
MOL2
C


ATOM
6685
CB
ASP
D
90
−8.964
−37.840
−72.340
1.00
88.20
MOL2
C


ATOM
6686
CG
ASP
D
90
−9.630
−38.978
−73.087
1.00
94.26
MOL2
C


ATOM
6687
OD1
ASP
D
90
−9.246
−40.146
−72.846
1.00
97.45
MOL2
O


ATOM
6688
OD2
ASP
D
90
−10.522
−38.707
−73.923
1.00
88.46
MOL2
O


ATOM
6689
C
ASP
D
90
−7.506
−37.237
−70.443
1.00
84.13
MOL2
C


ATOM
6690
O
ASP
D
90
−6.471
−37.051
−71.072
1.00
82.84
MOL2
O


ATOM
6691
N
THR
D
91
−7.806
−36.577
−69.323
1.00
80.97
MOL2
N


ATOM
6692
CA
THR
D
91
−6.872
−35.588
−68.770
1.00
78.78
MOL2
C


ATOM
6693
CB
THR
D
91
−7.379
−34.903
−67.480
1.00
76.06
MOL2
C


ATOM
6694
OG1
THR
D
91
−8.269
−33.836
−67.810
1.00
74.74
MOL2
O


ATOM
6695
CG2
THR
D
91
−6.198
−34.323
−66.690
1.00
67.86
MOL2
C


ATOM
6696
C
THR
D
91
−5.568
−36.264
−68.400
1.00
80.42
MOL2
C


ATOM
6697
O
THR
D
91
−5.576
−37.339
−67.798
1.00
85.81
MOL2
O


ATOM
6698
N
ALA
D
92
−4.453
−35.624
−68.740
1.00
77.33
MOL2
N


ATOM
6699
CA
ALA
D
92
−3.137
−36.179
−68.450
1.00
73.83
MOL2
C


ATOM
6700
CB
ALA
D
92
−3.067
−37.628
−68.946
1.00
69.79
MOL2
C


ATOM
6701
C
ALA
D
92
−2.025
−35.377
−69.111
1.00
72.09
MOL2
C


ATOM
6702
O
ALA
D
92
−2.260
−34.351
−69.749
1.00
72.25
MOL2
O


ATOM
6703
N
VAL
D
93
−0.797
−35.849
−68.935
1.00
70.26
MOL2
N


ATOM
6704
CA
VAL
D
93
0.334
−35.221
−69.585
1.00
65.02
MOL2
C


ATOM
6705
CB
VAL
D
93
1.548
−35.120
−68.688
1.00
61.28
MOL2
C


ATOM
6706
CG1
VAL
D
93
2.746
−34.691
−69.522
1.00
46.91
MOL2
C


ATOM
6707
CG2
VAL
D
93
1.272
−34.123
−67.562
1.00
60.55
MOL2
C


ATOM
6708
C
VAL
D
93
0.645
−36.152
−70.744
1.00
67.42
MOL2
C


ATOM
6709
O
VAL
D
93
0.847
−37.366
−70.559
1.00
64.71
MOL2
O


ATOM
6710
N
TYR
D
94
0.643
−35.584
−71.944
1.00
65.44
MOL2
N


ATOM
6711
CA
TYR
D
94
0.886
−36.368
−73.127
1.00
61.43
MOL2
C


ATOM
6712
CB
TYR
D
94
−0.046
−35.902
−74.241
1.00
63.00
MOL2
C


ATOM
6713
CG
TYR
D
94
−1.454
−36.380
−73.983
1.00
61.43
MOL2
C


ATOM
6714
CD1
TYR
D
94
−2.186
−35.883
−72.907
1.00
58.91
MOL2
C


ATOM
6715
CE1
TYR
D
94
−3.426
−36.398
−72.586
1.00
65.56
MOL2
C


ATOM
6716
CD2
TYR
D
94
−2.008
−37.405
−74.742
1.00
62.03
MOL2
C


ATOM
6717
CE2
TYR
D
94
−3.248
−37.929
−74.433
1.00
71.17
MOL2
C


ATOM
6718
CZ
TYR
D
94
−3.954
−37.425
−73.350
1.00
74.81
MOL2
C


ATOM
6719
OH
TYR
D
94
−5.178
−37.977
−73.017
1.00
83.02
MOL2
O


ATOM
6720
C
TYR
D
94
2.337
−36.321
−73.525
1.00
59.37
MOL2
C


ATOM
6721
O
TYR
D
94
2.927
−35.244
−73.661
1.00
56.47
MOL2
O


ATOM
6722
N
TYR
D
95
2.900
−37.521
−73.672
1.00
53.66
MOL2
N


ATOM
6723
CA
TYR
D
95
4.294
−37.713
−74.021
1.00
47.62
MOL2
C


ATOM
6724
CB
TYR
D
95
4.941
−38.698
−73.068
1.00
35.07
MOL2
C


ATOM
6725
CG
TYR
D
95
5.205
−38.152
−71.705
1.00
29.66
MOL2
C


ATOM
6726
CD1
TYR
D
95
4.568
−38.696
−70.588
1.00
29.99
MOL2
C


ATOM
6727
CE1
TYR
D
95
4.810
−38.205
−69.309
1.00
27.04
MOL2
C


ATOM
6728
CD2
TYR
D
95
6.093
−37.099
−71.519
1.00
20.23
MOL2
C


ATOM
6729
CE2
TYR
D
95
6.340
−36.601
−70.251
1.00
29.21
MOL2
C


ATOM
6730
CZ
TYR
D
95
5.696
−37.161
−69.147
1.00
31.88
MOL2
C


ATOM
6731
OH
TYR
D
95
5.936
−36.691
−67.878
1.00
39.95
MOL2
O


ATOM
6732
C
TYR
D
95
4.530
−38.223
−75.423
1.00
51.77
MOL2
C


ATOM
6733
O
TYR
D
95
3.817
−39.092
−75.924
1.00
57.51
MOL2
O


ATOM
6734
N
CYS
D
96
5.578
−37.693
−76.029
1.00
50.26
MOL2
N


ATOM
6735
CA
CYS
D
96
5.999
−38.064
−77.363
1.00
51.95
MOL2
C


ATOM
6736
C
CYS
D
96
7.170
−39.032
−77.135
1.00
50.54
MOL2
C


ATOM
6737
O
CYS
D
96
8.108
−38.704
−76.403
1.00
49.17
MOL2
O


ATOM
6738
CB
CYS
D
96
6.470
−36.799
−78.065
1.00
59.27
MOL2
C


ATOM
6739
SG
CYS
D
96
6.930
−36.942
−79.815
1.00
80.95
MOL2
S


ATOM
6740
N
ALA
D
97
7.133
−40.213
−77.747
1.00
45.76
MOL2
N


ATOM
6741
CA
ALA
D
97
8.209
−41.179
−77.532
1.00
41.80
MOL2
C


ATOM
6742
CB
ALA
D
97
7.745
−42.221
−76.546
1.00
46.21
MOL2
C


ATOM
6743
C
ALA
D
97
8.737
−41.873
−78.784
1.00
45.59
MOL2
C


ATOM
6744
O
ALA
D
97
7.963
−42.456
−79.565
1.00
46.25
MOL2
O


ATOM
6745
N
SER
D
98
10.063
−41.849
−78.946
1.00
42.44
MOL2
N


ATOM
6746
CA
SER
D
98
10.723
−42.464
−80.103
1.00
40.03
MOL2
C


ATOM
6747
CB
SER
D
98
11.696
−41.479
−80.693
1.00
42.55
MOL2
C


ATOM
6748
OG
SER
D
98
12.374
−40.862
−79.623
1.00
54.54
MOL2
O


ATOM
6749
C
SER
D
98
11.489
−43.703
−79.737
1.00
36.36
MOL2
C


ATOM
6750
O
SER
D
98
11.851
−43.895
−78.594
1.00
42.91
MOL2
O


ATOM
6751
N
PRO
D
99
11.761
−44.566
−80.709
1.00
37.36
MOL2
N


ATOM
6752
CD
PRO
D
99
11.268
−44.578
−82.092
1.00
34.42
MOL2
C


ATOM
6753
CA
PRO
D
99
12.510
−45.782
−80.401
1.00
42.07
MOL2
C


ATOM
6754
CB
PRO
D
99
12.008
−46.751
−81.457
1.00
39.85
MOL2
C


ATOM
6755
CG
PRO
D
99
11.850
−45.873
−82.636
1.00
38.08
MOL2
C


ATOM
6756
C
PRO
D
99
14.019
−45.483
−80.490
1.00
47.47
MOL2
C


ATOM
6757
O
PRO
D
99
14.419
−44.382
−80.884
1.00
49.75
MOL2
O


ATOM
6758
N
PRO
D
100
14.867
−46.455
−80.122
1.00
47.56
MOL2
N


ATOM
6759
CD
PRO
D
100
14.434
−47.833
−79.853
1.00
50.64
MOL2
C


ATOM
6760
CA
PRO
D
100
16.332
−46.377
−80.119
1.00
48.54
MOL2
C


ATOM
6761
CB
PRO
D
100
16.726
−47.700
−79.508
1.00
49.03
MOL2
C


ATOM
6762
CG
PRO
D
100
15.697
−48.606
−80.077
1.00
52.38
MOL2
C


ATOM
6763
C
PRO
D
100
16.981
−46.170
−81.482
1.00
50.59
MOL2
C


ATOM
6764
O
PRO
D
100
16.611
−46.807
−82.455
1.00
50.59
MOL2
O


ATOM
6765
N
GLN
D
101
17.964
−45.278
−81.522
1.00
56.02
MOL2
N


ATOM
6766
CA
GLN
D
101
18.681
−44.943
−82.736
1.00
52.49
MOL2
C


ATOM
6767
CB
GLN
D
101
19.703
−43.823
−82.468
1.00
66.20
MOL2
C


ATOM
6768
CG
GLN
D
101
19.377
−42.834
−81.318
1.00
81.01
MOL2
C


ATOM
6769
CD
GLN
D
101
19.949
−43.253
−79.927
1.00
90.03
MOL2
C


ATOM
6770
OE1
GLN
D
101
19.424
−44.154
−79.252
1.00
80.73
MOL2
O


ATOM
6771
NE2
GLN
D
101
21.027
−42.585
−79.509
1.00
89.51
MOL2
N


ATOM
6772
C
GLN
D
101
19.382
−46.181
−83.304
1.00
53.84
MOL2
C


ATOM
6773
O
GLN
D
101
19.583
−46.257
−84.512
1.00
56.95
MOL2
O


ATOM
6774
N
TYR
D
102
19.798
−47.138
−82.467
1.00
56.67
MOL2
N


ATOM
6775
CA
TYR
D
102
20.401
−48.368
−83.025
1.00
59.06
MOL2
C


ATOM
6776
CB
TYR
D
102
21.317
−49.135
−82.038
1.00
53.29
MOL2
C


ATOM
6777
CG
TYR
D
102
20.971
−49.019
−80.563
1.00
60.79
MOL2
C


ATOM
6778
CD1
TYR
D
102
20.040
−49.865
−79.978
1.00
58.44
MOL2
C


ATOM
6779
CE1
TYR
D
102
19.629
−49.684
−78.670
1.00
55.09
MOL2
C


ATOM
6780
CD2
TYR
D
102
21.500
−47.992
−79.781
1.00
57.34
MOL2
C


ATOM
6781
CE2
TYR
D
102
21.092
−47.803
−78.474
1.00
56.52
MOL2
C


ATOM
6782
CZ
TYR
D
102
20.147
−48.645
−77.927
1.00
57.97
MOL2
C


ATOM
6783
OH
TYR
D
102
19.644
−48.394
−76.666
1.00
64.12
MOL2
O


ATOM
6784
C
TYR
D
102
19.201
−49.217
−83.438
1.00
64.63
MOL2
C


ATOM
6785
O
TYR
D
102
18.190
−48.662
−83.878
1.00
76.43
MOL2
O


ATOM
6786
N
TYR
D
103
19.267
−50.534
−83.321
1.00
56.82
MOL2
N


ATOM
6787
CA
TYR
D
103
18.111
−51.346
−83.732
1.00
58.69
MOL2
C


ATOM
6788
CB
TYR
D
103
17.122
−51.458
−82.573
1.00
43.86
MOL2
C


ATOM
6789
CG
TYR
D
103
17.538
−52.461
−81.545
1.00
43.71
MOL2
C


ATOM
6790
CD1
TYR
D
103
17.591
−53.806
−81.845
1.00
44.13
MOL2
C


ATOM
6791
CE1
TYR
D
103
18.071
−54.717
−80.938
1.00
40.31
MOL2
C


ATOM
6792
CD2
TYR
D
103
17.967
−52.057
−80.304
1.00
49.09
MOL2
C


ATOM
6793
CE2
TYR
D
103
18.451
−52.956
−79.390
1.00
51.91
MOL2
C


ATOM
6794
CZ
TYR
D
103
18.503
−54.282
−79.716
1.00
47.11
MOL2
C


ATOM
6795
OH
TYR
D
103
19.030
−55.161
−78.812
1.00
55.04
MOL2
O


ATOM
6796
C
TYR
D
103
17.309
−50.967
−85.011
1.00
65.35
MOL2
C


ATOM
6797
O
TYR
D
103
17.717
−51.222
−86.151
1.00
63.13
MOL2
O


ATOM
6798
N
GLU
D
104
16.151
−50.358
−84.795
1.00
74.03
MOL2
N


ATOM
6799
CA
GLU
D
104
15.235
−49.998
−85.869
1.00
78.43
MOL2
C


ATOM
6800
CB
GLU
D
104
15.699
−48.817
−86.692
1.00
80.98
MOL2
C


ATOM
6801
CG
GLU
D
104
14.640
−48.463
−87.754
1.00
85.46
MOL2
C


ATOM
6802
CD
GLU
D
104
13.205
−48.758
−87.276
1.00
83.54
MOL2
C


ATOM
6803
OE1
GLU
D
104
12.792
−48.195
−86.246
1.00
88.99
MOL2
O


ATOM
6804
OE2
GLU
D
104
12.479
−49.545
−87.919
1.00
62.12
MOL2
O


ATOM
6805
C
GLU
D
104
15.016
−51.128
−86.831
1.00
79.96
MOL2
C


ATOM
6806
O
GLU
D
104
14.310
−52.078
−86.520
1.00
80.54
MOL2
O


ATOM
6807
N
GLY
D
105
15.634
−51.006
−88.005
1.00
85.01
MOL2
N


ATOM
6808
CA
GLY
D
105
15.476
−52.001
−89.050
1.00
93.60
MOL2
C


ATOM
6809
C
GLY
D
105
14.037
−52.024
−89.569
1.00
97.58
MOL2
C


ATOM
6810
O
GLY
D
105
13.798
−52.401
−90.722
1.00
102.45
MOL2
O


ATOM
6811
N
SER
D
106
13.100
−51.610
−88.705
1.00
92.53
MOL2
N


ATOM
6812
CA
SER
D
106
11.654
−51.559
−88.954
1.00
79.31
MOL2
C


ATOM
6813
CB
SER
D
106
11.248
−52.469
−90.112
1.00
78.55
MOL2
C


ATOM
6814
OG
SER
D
106
11.367
−53.835
−89.753
1.00
70.96
MOL2
O


ATOM
6815
C
SER
D
106
10.973
−52.057
−87.682
1.00
75.84
MOL2
C


ATOM
6816
O
SER
D
106
9.836
−51.701
−87.409
1.00
76.84
MOL2
O


ATOM
6817
N
ILE
D
107
11.696
−52.889
−86.928
1.00
70.17
MOL2
N


ATOM
6818
CA
ILE
D
107
11.257
−53.508
−85.675
1.00
67.60
MOL2
C


ATOM
6819
CB
ILE
D
107
12.397
−53.559
−84.655
1.00
65.73
MOL2
C


ATOM
6820
CG2
ILE
D
107
11.908
−54.227
−83.395
1.00
68.97
MOL2
C


ATOM
6821
CG1
ILE
D
107
13.584
−54.342
−85.207
1.00
64.47
MOL2
C


ATOM
6822
CD1
ILE
D
107
13.335
−55.820
−85.356
1.00
70.08
MOL2
C


ATOM
6823
C
ILE
D
107
10.086
−52.832
−84.975
1.00
73.93
MOL2
C


ATOM
6824
O
ILE
D
107
10.231
−51.739
−84.425
1.00
76.91
MOL2
O


ATOM
6825
N
TYR
D
108
8.940
−53.506
−84.942
1.00
75.99
MOL2
N


ATOM
6826
CA
TYR
D
108
7.739
−52.937
−84.329
1.00
73.60
MOL2
C


ATOM
6827
CB
TYR
D
108
6.497
−53.680
−84.859
1.00
78.84
MOL2
C


ATOM
6828
CG
TYR
D
108
5.187
−53.283
−84.201
1.00
84.09
MOL2
C


ATOM
6829
CD1
TYR
D
108
4.714
−51.975
−84.259
1.00
81.93
MOL2
C


ATOM
6830
CE1
TYR
D
108
3.547
−51.600
−83.595
1.00
80.60
MOL2
C


ATOM
6831
CD2
TYR
D
108
4.451
−54.211
−83.470
1.00
88.09
MOL2
C


ATOM
6832
CE2
TYR
D
108
3.288
−53.846
−82.806
1.00
87.51
MOL2
C


ATOM
6833
CZ
TYR
D
108
2.844
−52.541
−82.865
1.00
84.81
MOL2
C


ATOM
6834
OH
TYR
D
108
1.725
−52.183
−82.144
1.00
82.26
MOL2
O


ATOM
6835
C
TYR
D
108
7.736
−52.936
−82.800
1.00
69.77
MOL2
C


ATOM
6836
O
TYR
D
108
7.526
−51.887
−82.172
1.00
66.35
MOL2
O


ATOM
6837
N
ARG
D
109
7.976
−54.113
−82.222
1.00
63.80
MOL2
N


ATOM
6838
CA
ARG
D
109
7.986
−54.324
−80.771
1.00
59.44
MOL2
C


ATOM
6839
CB
ARG
D
109
8.273
−55.796
−80.497
1.00
66.44
MOL2
C


ATOM
6840
CG
ARG
D
109
7.355
−56.764
−81.229
1.00
76.80
MOL2
C


ATOM
6841
CD
ARG
D
109
5.919
−56.612
−80.765
1.00
85.59
MOL2
C


ATOM
6842
NE
ARG
D
109
5.202
−57.885
−80.769
1.00
96.62
MOL2
N


ATOM
6843
CZ
ARG
D
109
4.776
−58.508
−81.864
1.00
104.01
MOL2
C


ATOM
6844
NH1
ARG
D
109
4.988
−57.976
−83.062
1.00
107.13
MOL2
N


ATOM
6845
NH2
ARG
D
109
4.136
−59.668
−81.759
1.00
107.22
MOL2
N


ATOM
6846
C
ARG
D
109
8.958
−53.469
−79.946
1.00
53.98
MOL2
C


ATOM
6847
O
ARG
D
109
9.020
−53.580
−78.729
1.00
51.15
MOL2
O


ATOM
6848
N
LEU
D
110
9.706
−52.611
−80.619
1.00
56.29
MOL2
N


ATOM
6849
CA
LEU
D
110
10.696
−51.731
−79.996
1.00
49.13
MOL2
C


ATOM
6850
CB
LEU
D
110
11.282
−50.813
−81.063
1.00
48.52
MOL2
C


ATOM
6851
CG
LEU
D
110
12.788
−50.737
−81.240
1.00
47.52
MOL2
C


ATOM
6852
CD1
LEU
D
110
13.380
−52.115
−81.438
1.00
50.99
MOL2
C


ATOM
6853
CD2
LEU
D
110
13.061
−49.876
−82.436
1.00
40.58
MOL2
C


ATOM
6854
C
LEU
D
110
10.200
−50.874
−78.840
1.00
47.05
MOL2
C


ATOM
6855
O
LEU
D
110
9.189
−50.191
−78.940
1.00
50.30
MOL2
O


ATOM
6856
N
TRP
D
111
10.940
−50.900
−77.741
1.00
49.64
MOL2
N


ATOM
6857
CA
TRP
D
111
10.608
−50.104
−76.558
1.00
45.27
MOL2
C


ATOM
6858
CB
TRP
D
111
11.531
−50.467
−75.405
1.00
39.40
MOL2
C


ATOM
6859
CG
TRP
D
111
12.966
−50.319
−75.783
1.00
41.28
MOL2
C


ATOM
6860
CD2
TRP
D
111
13.743
−51.256
−76.511
1.00
42.25
MOL2
C


ATOM
6861
CE2
TRP
D
111
15.020
−50.694
−76.697
1.00
43.24
MOL2
C


ATOM
6862
CE3
TRP
D
111
13.483
−52.521
−77.030
1.00
47.78
MOL2
C


ATOM
6863
CD1
TRP
D
111
13.778
−49.246
−75.557
1.00
49.49
MOL2
C


ATOM
6864
NE1
TRP
D
111
15.024
−49.463
−76.102
1.00
45.39
MOL2
N


ATOM
6865
CZ2
TRP
D
111
16.021
−51.353
−77.377
1.00
48.26
MOL2
C


ATOM
6866
CZ3
TRP
D
111
14.476
−53.170
−77.704
1.00
50.24
MOL2
C


ATOM
6867
CH2
TRP
D
111
15.730
−52.591
−77.874
1.00
49.52
MOL2
C


ATOM
6868
C
TRP
D
111
10.913
−48.692
−76.965
1.00
42.86
MOL2
C


ATOM
6869
O
TRP
D
111
11.050
−48.401
−78.157
1.00
46.45
MOL2
O


ATOM
6870
N
PHE
D
112
11.029
−47.799
−75.995
1.00
39.79
MOL2
N


ATOM
6871
CA
PHE
D
112
11.379
−46.446
−76.367
1.00
42.21
MOL2
C


ATOM
6872
CB
PHE
D
112
10.157
−45.626
−76.846
1.00
53.83
MOL2
C


ATOM
6873
CG
PHE
D
112
8.855
−45.936
−76.150
1.00
52.89
MOL2
C


ATOM
6874
CD1
PHE
D
112
7.745
−46.333
−76.900
1.00
51.25
MOL2
C


ATOM
6875
CD2
PHE
D
112
8.733
−45.838
−74.782
1.00
49.56
MOL2
C


ATOM
6876
CE1
PHE
D
112
6.548
−46.632
−76.306
1.00
48.12
MOL2
C


ATOM
6877
CE2
PHE
D
112
7.532
−46.137
−74.182
1.00
55.71
MOL2
C


ATOM
6878
CZ
PHE
D
112
6.435
−46.537
−74.952
1.00
54.08
MOL2
C


ATOM
6879
C
PHE
D
112
12.162
−45.598
−75.414
1.00
39.35
MOL2
C


ATOM
6880
O
PHE
D
112
11.717
−45.330
−74.294
1.00
33.59
MOL2
O


ATOM
6881
N
ALA
D
113
13.342
−45.193
−75.901
1.00
37.45
MOL2
N


ATOM
6882
CA
ALA
D
113
14.262
−44.290
−75.208
1.00
36.05
MOL2
C


ATOM
6883
CB
ALA
D
113
15.657
−44.522
−75.627
1.00
23.09
MOL2
C


ATOM
6884
C
ALA
D
113
13.822
−42.978
−75.768
1.00
39.33
MOL2
C


ATOM
6885
O
ALA
D
113
13.131
−42.946
−76.769
1.00
47.39
MOL2
O


ATOM
6886
N
HIS
D
114
14.208
−41.884
−75.150
1.00
46.27
MOL2
N


ATOM
6887
CA
HIS
D
114
13.787
−40.590
−75.673
1.00
48.63
MOL2
C


ATOM
6888
CB
HIS
D
114
14.269
−40.458
−77.111
1.00
50.91
MOL2
C


ATOM
6889
CG
HIS
D
114
15.692
−40.869
−77.294
1.00
56.10
MOL2
C


ATOM
6890
CD2
HIS
D
114
16.829
−40.421
−76.712
1.00
60.79
MOL2
C


ATOM
6891
ND1
HIS
D
114
16.068
−41.875
−78.158
1.00
57.90
MOL2
N


ATOM
6892
CE1
HIS
D
114
17.379
−42.029
−78.102
1.00
64.05
MOL2
C


ATOM
6893
NE2
HIS
D
114
17.865
−41.159
−77.232
1.00
69.07
MOL2
N


ATOM
6894
C
HIS
D
114
12.267
−40.337
−75.583
1.00
45.81
MOL2
C


ATOM
6895
O
HIS
D
114
11.447
−40.878
−76.346
1.00
35.80
MOL2
O


ATOM
6896
N
TRP
D
115
11.933
−39.494
−74.612
1.00
46.75
MOL2
N


ATOM
6897
CA
TRP
D
115
10.586
−39.062
−74.316
1.00
44.18
MOL2
C


ATOM
6898
CB
TRP
D
115
10.226
−39.439
−72.876
1.00
48.59
MOL2
C


ATOM
6899
CG
TRP
D
115
10.103
−40.894
−72.609
1.00
47.04
MOL2
C


ATOM
6900
CD2
TRP
D
115
8.908
−41.589
−72.242
1.00
47.75
MOL2
C


ATOM
6901
CE2
TRP
D
115
9.228
−42.958
−72.174
1.00
47.16
MOL2
C


ATOM
6902
CE3
TRP
D
115
7.598
−41.185
−71.972
1.00
41.48
MOL2
C


ATOM
6903
CD1
TRP
D
115
11.070
−41.832
−72.732
1.00
45.40
MOL2
C


ATOM
6904
NE1
TRP
D
115
10.555
−43.081
−72.478
1.00
48.57
MOL2
N


ATOM
6905
CZ2
TRP
D
115
8.287
−43.929
−71.851
1.00
46.86
MOL2
C


ATOM
6906
CZ3
TRP
D
115
6.663
−42.148
−71.653
1.00
47.51
MOL2
C


ATOM
6907
CH2
TRP
D
115
7.011
−43.507
−71.596
1.00
50.61
MOL2
C


ATOM
6908
C
TRP
D
115
10.659
−37.539
−74.411
1.00
43.89
MOL2
C


ATOM
6909
O
TRP
D
115
11.731
−36.944
−74.245
1.00
36.86
MOL2
O


ATOM
6910
N
GLY
D
116
9.532
−36.902
−74.682
1.00
47.55
MOL2
N


ATOM
6911
CA
GLY
D
116
9.535
−35.453
−74.728
1.00
52.44
MOL2
C


ATOM
6912
C
GLY
D
116
9.308
−34.980
−73.306
1.00
52.89
MOL2
C


ATOM
6913
O
GLY
D
116
9.311
−35.776
−72.382
1.00
54.01
MOL2
O


ATOM
6914
N
GLN
D
117
9.120
−33.690
−73.109
1.00
54.85
MOL2
N


ATOM
6915
CA
GLN
D
117
8.871
−33.202
−71.768
1.00
57.81
MOL2
C


ATOM
6916
CB
GLN
D
117
9.264
−31.729
−71.701
1.00
65.05
MOL2
C


ATOM
6917
CG
GLN
D
117
9.732
−31.160
−73.051
1.00
77.65
MOL2
C


ATOM
6918
CD
GLN
D
117
8.725
−30.196
−73.683
1.00
84.05
MOL2
C


ATOM
6919
OE1
GLN
D
117
8.417
−29.144
−73.120
1.00
85.67
MOL2
O


ATOM
6920
NE2
GLN
D
117
8.214
−30.554
−74.858
1.00
87.61
MOL2
N


ATOM
6921
C
GLN
D
117
7.375
−33.402
−71.489
1.00
58.38
MOL2
C


ATOM
6922
O
GLN
D
117
6.953
−33.530
−70.339
1.00
59.78
MOL2
O


ATOM
6923
N
GLY
D
118
6.589
−33.441
−72.566
1.00
58.82
MOL2
N


ATOM
6924
CA
GLY
D
118
5.151
−33.637
−72.471
1.00
54.19
MOL2
C


ATOM
6925
C
GLY
D
118
4.357
−32.363
−72.263
1.00
55.02
MOL2
C


ATOM
6926
O
GLY
D
118
4.900
−31.358
−71.793
1.00
51.92
MOL2
O


ATOM
6927
N
THR
D
119
3.074
−32.396
−72.633
1.00
56.36
MOL2
N


ATOM
6928
CA
THR
D
119
2.177
−31.244
−72.439
1.00
54.88
MOL2
C


ATOM
6929
CB
THR
D
119
1.655
−30.628
−73.744
1.00
52.27
MOL2
C


ATOM
6930
OG1
THR
D
119
1.567
−31.644
−74.751
1.00
44.54
MOL2
O


ATOM
6931
CG2
THR
D
119
2.522
−29.450
−74.171
1.00
50.75
MOL2
C


ATOM
6932
C
THR
D
119
0.945
−31.655
−71.666
1.00
54.33
MOL2
C


ATOM
6933
O
THR
D
119
0.402
−32.747
−71.867
1.00
55.03
MOL2
O


ATOM
6934
N
LEU
D
120
0.488
−30.757
−70.803
1.00
54.06
MOL2
N


ATOM
6935
CA
LEU
D
120
−0.682
−31.039
−69.995
0.50
59.28
MOL2
C


ATOM
6936
CB
LEU
D
120
−0.639
−30.219
−68.709
1.00
65.21
MOL2
C


ATOM
6937
CG
LEU
D
120
−1.719
−30.637
−67.710
1.00
72.15
MOL2
C


ATOM
6938
CD1
LEU
D
120
−2.020
−32.134
−67.835
1.00
72.95
MOL2
C


ATOM
6939
CD2
LEU
D
120
−1.248
−30.282
−66.310
1.00
75.68
MOL2
C


ATOM
6940
C
LEU
D
120
−1.981
−30.776
−70.740
1.00
58.18
MOL2
C


ATOM
6941
O
LEU
D
120
−2.146
−29.750
−71.393
1.00
58.09
MOL2
O


ATOM
6942
N
VAL
D
121
−2.905
−31.717
−70.623
1.00
58.63
MOL2
N


ATOM
6943
CA
VAL
D
121
−4.189
−31.625
−71.291
1.00
65.61
MOL2
C


ATOM
6944
CB
VAL
D
121
−4.259
−32.665
−72.409
1.00
66.65
MOL2
C


ATOM
6945
CG1
VAL
D
121
−5.471
−32.437
−73.273
1.00
72.47
MOL2
C


ATOM
6946
CG2
VAL
D
121
−2.998
−32.605
−73.221
1.00
71.38
MOL2
C


ATOM
6947
C
VAL
D
121
−5.290
−31.912
−70.278
1.00
72.09
MOL2
C


ATOM
6948
O
VAL
D
121
−5.499
−33.070
−69.900
1.00
75.73
MOL2
O


ATOM
6949
N
THR
D
122
−5.994
−30.864
−69.845
1.00
76.78
MOL2
N


ATOM
6950
CA
THR
D
122
−7.074
−31.009
−68.860
1.00
77.46
MOL2
C


ATOM
6951
CB
THR
D
122
−6.846
−30.073
−67.652
1.00
72.23
MOL2
C


ATOM
6952
OG1
THR
D
122
−6.042
−28.956
−68.051
1.00
62.85
MOL2
O


ATOM
6953
CG2
THR
D
122
−6.144
−30.819
−66.532
1.00
81.85
MOL2
C


ATOM
6954
C
THR
D
122
−8.500
−30.790
−69.382
1.00
79.79
MOL2
C


ATOM
6955
O
THR
D
122
−8.916
−29.669
−69.675
1.00
82.67
MOL2
O


ATOM
6956
N
VAL
D
123
−9.241
−31.882
−69.491
1.00
81.95
MOL2
N


ATOM
6957
CA
VAL
D
123
−10.623
−31.848
−69.947
1.00
87.80
MOL2
C


ATOM
6958
CB
VAL
D
123
−10.998
−33.178
−70.658
1.00
87.08
MOL2
C


ATOM
6959
CG1
VAL
D
123
−10.485
−34.360
−69.862
1.00
90.66
MOL2
C


ATOM
6960
CG2
VAL
D
123
−12.494
−33.294
−70.794
1.00
87.68
MOL2
C


ATOM
6961
C
VAL
D
123
−11.567
−31.638
−68.753
1.00
92.45
MOL2
C


ATOM
6962
O
VAL
D
123
−11.915
−32.595
−68.053
1.00
92.78
MOL2
O


ATOM
6963
N
SER
D
124
−11.970
−30.389
−68.521
1.00
96.50
MOL2
N


ATOM
6964
CA
SER
D
124
−12.876
−30.053
−67.419
1.00
101.35
MOL2
C


ATOM
6965
CB
SER
D
124
−12.083
−29.484
−66.233
1.00
104.48
MOL2
C


ATOM
6966
OG
SER
D
124
−12.917
−29.260
−65.104
1.00
108.20
MOL2
O


ATOM
6967
C
SER
D
124
−13.926
−29.030
−67.871
1.00
101.90
MOL2
C


ATOM
6968
O
SER
D
124
−13.644
−28.163
−68.701
1.00
102.22
MOL2
O


ATOM
6969
N
SER
D
125
−15.131
−29.133
−67.316
1.00
100.56
MOL2
N


ATOM
6970
CA
SER
D
125
−16.221
−28.225
−67.660
1.00
95.36
MOL2
C


ATOM
6971
CB
SER
D
125
−17.568
−28.925
−67.473
1.00
98.73
MOL2
C


ATOM
6972
OG
SER
D
125
−17.762
−29.293
−66.116
1.00
104.20
MOL2
O


ATOM
6973
C
SER
D
125
−16.194
−26.959
−66.814
1.00
89.46
MOL2
C


ATOM
6974
O
SER
D
125
−16.840
−25.974
−67.148
1.00
86.33
MOL2
O


ATOM
6975
N
ALA
D
126
−15.450
−26.993
−65.717
1.00
87.90
MOL2
N


ATOM
6976
CA
ALA
D
126
−15.351
−25.842
−64.828
1.00
89.29
MOL2
C


ATOM
6977
CB
ALA
D
126
−14.423
−26.151
−63.674
1.00
94.78
MOL2
C


ATOM
6978
C
ALA
D
126
−14.855
−24.614
−65.566
1.00
89.69
MOL2
C


ATOM
6979
O
ALA
D
126
−14.252
−24.718
−66.632
1.00
92.07
MOL2
O


ATOM
6980
N
LYS
D
127
−15.100
−23.451
−64.975
1.00
90.14
MOL2
N


ATOM
6981
CA
LYS
D
127
−14.708
−22.176
−65.564
1.00
92.16
MOL2
C


ATOM
6982
CB
LYS
D
127
−15.944
−21.289
−65.763
1.00
104.26
MOL2
C


ATOM
6983
CG
LYS
D
127
−15.652
−19.877
−66.292
1.00
114.56
MOL2
C


ATOM
6984
CD
LYS
D
127
−15.048
−19.903
−67.702
1.00
119.37
MOL2
C


ATOM
6985
CE
LYS
D
127
−14.849
−18.500
−68.257
1.00
116.80
MOL2
C


ATOM
6986
NZ
LYS
D
127
−14.183
−18.545
−69.584
1.00
117.75
MOL2
N


ATOM
6987
C
LYS
D
127
−13.724
−21.440
−64.679
1.00
86.37
MOL2
C


ATOM
6988
O
LYS
D
127
−13.770
−21.548
−63.462
1.00
81.01
MOL2
O


ATOM
6989
N
THR
D
128
−12.850
−20.668
−65.306
1.00
86.45
MOL2
N


ATOM
6990
CA
THR
D
128
−11.845
−19.898
−64.587
1.00
88.78
MOL2
C


ATOM
6991
CB
THR
D
128
−11.136
−18.903
−65.555
1.00
94.01
MOL2
C


ATOM
6992
OG1
THR
D
128
−12.100
−17.997
−66.106
1.00
102.80
MOL2
O


ATOM
6993
CG2
THR
D
128
−10.464
−19.658
−66.712
1.00
92.70
MOL2
C


ATOM
6994
C
THR
D
128
−12.436
−19.125
−63.403
1.00
82.79
MOL2
C


ATOM
6995
O
THR
D
128
−13.214
−18.206
−63.594
1.00
86.68
MOL2
O


ATOM
6996
N
THR
D
129
−12.063
−19.506
−62.185
1.00
80.34
MOL2
N


ATOM
6997
CA
THR
D
129
−12.541
−18.847
−60.958
1.00
81.32
MOL2
C


ATOM
6998
CB
THR
D
129
−13.413
−19.789
−60.086
1.00
76.32
MOL2
C


ATOM
6999
OG1
THR
D
129
−14.608
−20.155
−60.783
1.00
72.46
MOL2
O


ATOM
7000
CG2
THR
D
129
−13.753
−19.111
−58.767
1.00
66.69
MOL2
C


ATOM
7001
C
THR
D
129
−11.366
−18.439
−60.059
1.00
88.41
MOL2
C


ATOM
7002
O
THR
D
129
−10.451
−19.233
−59.823
1.00
95.15
MOL2
O


ATOM
7003
N
PRO
D
130
−11.372
−17.208
−59.529
1.00
89.99
MOL2
N


ATOM
7004
CD
PRO
D
130
−12.421
−16.177
−59.487
1.00
94.23
MOL2
C


ATOM
7005
CA
PRO
D
130
−10.248
−16.835
−58.665
1.00
91.27
MOL2
C


ATOM
7006
CB
PRO
D
130
−10.413
−15.335
−58.519
1.00
89.62
MOL2
C


ATOM
7007
CG
PRO
D
130
−11.896
−15.225
−58.394
1.00
96.63
MOL2
C


ATOM
7008
C
PRO
D
130
−10.455
−17.558
−57.339
1.00
93.88
MOL2
C


ATOM
7009
O
PRO
D
130
−11.553
−18.047
−57.051
1.00
88.45
MOL2
O


ATOM
7010
N
PRO
D
131
−9.413
−17.600
−56.498
1.00
98.43
MOL2
N


ATOM
7011
CD
PRO
D
131
−8.148
−16.857
−56.658
1.00
102.54
MOL2
C


ATOM
7012
CA
PRO
D
131
−9.435
−18.260
−55.195
1.00
98.47
MOL2
C


ATOM
7013
CB
PRO
D
131
−7.975
−18.575
−54.977
1.00
102.75
MOL2
C


ATOM
7014
CG
PRO
D
131
−7.361
−17.243
−55.378
1.00
102.15
MOL2
C


ATOM
7015
C
PRO
D
131
−9.944
−17.357
−54.087
1.00
97.59
MOL2
C


ATOM
7016
O
PRO
D
131
−9.760
−16.137
−54.131
1.00
97.03
MOL2
O


ATOM
7017
N
SER
D
132
−10.564
−17.980
−53.088
1.00
95.89
MOL2
N


ATOM
7018
CA
SER
D
132
−11.072
−17.293
−51.898
1.00
93.25
MOL2
C


ATOM
7019
CB
SER
D
132
−12.403
−17.915
−51.454
1.00
93.74
MOL2
C


ATOM
7020
OG
SER
D
132
−13.239
−18.221
−52.562
1.00
91.87
MOL2
O


ATOM
7021
C
SER
D
132
−9.993
−17.599
−50.852
1.00
91.14
MOL2
C


ATOM
7022
O
SER
D
132
−9.657
−18.769
−50.643
1.00
93.07
MOL2
O


ATOM
7023
N
VAL
D
133
−9.451
−16.578
−50.196
1.00
84.88
MOL2
N


ATOM
7024
CA
VAL
D
133
−8.382
−16.810
−49.231
1.00
82.43
MOL2
C


ATOM
7025
CB
VAL
D
133
−7.166
−15.975
−49.561
1.00
84.02
MOL2
C


ATOM
7026
CG1
VAL
D
133
−6.151
−16.108
−48.442
1.00
88.68
MOL2
C


ATOM
7027
CG2
VAL
D
133
−6.592
−16.402
−50.898
1.00
87.42
MOL2
C


ATOM
7028
C
VAL
D
133
−8.687
−16.523
−47.780
1.00
81.22
MOL2
C


ATOM
7029
O
VAL
D
133
−8.857
−15.376
−47.402
1.00
83.29
MOL2
O


ATOM
7030
N
TYR
D
134
−8.725
−17.557
−46.951
1.00
84.52
MOL2
N


ATOM
7031
CA
TYR
D
134
−8.992
−17.351
−45.531
1.00
86.30
MOL2
C


ATOM
7032
CB
TYR
D
134
−10.159
−18.220
−45.022
1.00
85.81
MOL2
C


ATOM
7033
CG
TYR
D
134
−11.338
−18.401
−45.964
1.00
90.17
MOL2
C


ATOM
7034
CD1
TYR
D
134
−11.781
−17.377
−46.794
1.00
92.10
MOL2
C


ATOM
7035
CE1
TYR
D
134
−12.865
−17.568
−47.653
1.00
94.29
MOL2
C


ATOM
7036
CD2
TYR
D
134
−12.011
−19.615
−46.015
1.00
94.78
MOL2
C


ATOM
7037
CE2
TYR
D
134
−13.089
−19.815
−46.865
1.00
96.04
MOL2
C


ATOM
7038
CZ
TYR
D
134
−13.513
−18.796
−47.680
1.00
96.73
MOL2
C


ATOM
7039
OH
TYR
D
134
−14.584
−19.032
−48.518
1.00
95.03
MOL2
O


ATOM
7040
C
TYR
D
134
−7.734
−17.696
−44.739
1.00
89.37
MOL2
C


ATOM
7041
O
TYR
D
134
−6.965
−18.587
−45.117
1.00
93.82
MOL2
O


ATOM
7042
N
PRO
D
135
−7.509
−16.986
−43.625
1.00
89.74
MOL2
N


ATOM
7043
CD
PRO
D
135
−8.262
−15.768
−43.276
1.00
91.40
MOL2
C


ATOM
7044
CA
PRO
D
135
−6.360
−17.156
−42.725
1.00
89.81
MOL2
C


ATOM
7045
CB
PRO
D
135
−6.175
−15.754
−42.159
1.00
92.08
MOL2
C


ATOM
7046
CG
PRO
D
135
−7.592
−15.324
−41.973
1.00
93.53
MOL2
C


ATOM
7047
C
PRO
D
135
−6.570
−18.181
−41.610
1.00
87.93
MOL2
C


ATOM
7048
O
PRO
D
135
−7.551
−18.111
−40.879
1.00
88.59
MOL2
O


ATOM
7049
N
LEU
D
136
−5.645
−19.125
−41.471
1.00
88.40
MOL2
N


ATOM
7050
CA
LEU
D
136
−5.754
−20.126
−40.415
1.00
87.79
MOL2
C


ATOM
7051
CB
LEU
D
136
−5.094
−21.449
−40.823
1.00
88.32
MOL2
C


ATOM
7052
CG
LEU
D
136
−5.763
−22.371
−41.841
1.00
87.50
MOL2
C


ATOM
7053
CD1
LEU
D
136
−7.157
−22.734
−41.345
1.00
88.15
MOL2
C


ATOM
7054
CD2
LEU
D
136
−5.832
−21.693
−43.191
1.00
84.04
MOL2
C


ATOM
7055
C
LEU
D
136
−5.045
−19.603
−39.181
1.00
90.22
MOL2
C


ATOM
7056
O
LEU
D
136
−3.813
−19.621
−39.116
1.00
93.68
MOL2
O


ATOM
7057
N
ALA
D
137
−5.819
−19.135
−38.207
1.00
91.57
MOL2
N


ATOM
7058
CA
ALA
D
137
−5.253
−18.616
−36.962
1.00
91.47
MOL2
C


ATOM
7059
CB
ALA
D
137
−5.798
−17.226
−36.677
1.00
95.97
MOL2
C


ATOM
7060
C
ALA
D
137
−5.573
−19.558
−35.800
1.00
89.69
MOL2
C


ATOM
7061
O
ALA
D
137
−6.616
−20.224
−35.785
1.00
81.02
MOL2
O


ATOM
7062
N
PRO
D
138
−4.680
−19.604
−34.798
1.00
91.96
MOL2
N


ATOM
7063
CD
PRO
D
138
−3.585
−18.637
−34.624
1.00
92.07
MOL2
C


ATOM
7064
CA
PRO
D
138
−4.805
−20.449
−33.605
1.00
96.61
MOL2
C


ATOM
7065
CB
PRO
D
138
−3.639
−19.992
−32.720
1.00
90.39
MOL2
C


ATOM
7066
CG
PRO
D
138
−2.680
−19.366
−33.673
1.00
91.23
MOL2
C


ATOM
7067
C
PRO
D
138
−6.122
−20.247
−32.888
1.00
101.66
MOL2
C


ATOM
7068
O
PRO
D
138
−6.863
−19.318
−33.185
1.00
105.65
MOL2
O


ATOM
7069
N
GLY
D
139
−6.402
−21.125
−31.936
1.00
107.92
MOL2
N


ATOM
7070
CA
GLY
D
139
−7.608
−20.995
−31.147
1.00
118.65
MOL2
C


ATOM
7071
C
GLY
D
139
−7.190
−20.365
−29.832
1.00
127.42
MOL2
C


ATOM
7072
O
GLY
D
139
−6.011
−20.041
−29.646
1.00
127.52
MOL2
O


ATOM
7073
N
SER
D
140
−8.141
−20.185
−28.920
1.00
135.65
MOL2
N


ATOM
7074
CA
SER
D
140
−7.851
−19.596
−27.615
1.00
143.05
MOL2
C


ATOM
7075
CB
SER
D
140
−9.124
−18.992
−27.011
1.00
139.74
MOL2
C


ATOM
7076
OG
SER
D
140
−10.098
−19.993
−26.759
1.00
131.79
MOL2
O


ATOM
7077
C
SER
D
140
−7.310
−20.665
−26.667
1.00
150.39
MOL2
C


ATOM
7078
O
SER
D
140
−7.655
−20.675
−25.485
1.00
152.05
MOL2
O


ATOM
7079
N
ALA
D
141
−6.474
−21.564
−27.190
1.00
156.60
MOL2
N


ATOM
7080
CA
ALA
D
141
−5.892
−22.647
−26.394
1.00
160.16
MOL2
C


ATOM
7081
CB
ALA
D
141
−5.860
−23.938
−27.212
1.00
159.05
MOL2
C


ATOM
7082
C
ALA
D
141
−4.487
−22.313
−25.884
1.00
163.47
MOL2
C


ATOM
7083
O
ALA
D
141
−3.603
−23.176
−25.851
1.00
162.83
MOL2
O


ATOM
7084
N
ALA
D
142
−4.299
−21.053
−25.490
1.00
166.92
MOL2
N


ATOM
7085
CA
ALA
D
142
−3.030
−20.551
−24.958
1.00
169.09
MOL2
C


ATOM
7086
CB
ALA
D
142
−2.801
−21.105
−23.550
1.00
169.18
MOL2
C


ATOM
7087
C
ALA
D
142
−1.805
−20.829
−25.834
1.00
170.10
MOL2
C


ATOM
7088
O
ALA
D
142
−1.919
−21.350
−26.947
1.00
170.73
MOL2
O


ATOM
7089
N
GLN
D
143
−0.633
−20.472
−25.313
1.00
169.73
MOL2
N


ATOM
7090
CA
GLN
D
143
0.630
−20.657
−26.025
1.00
169.60
MOL2
C


ATOM
7091
CB
GLN
D
143
1.345
−19.304
−26.175
1.00
171.11
MOL2
C


ATOM
7092
CG
GLN
D
143
2.808
−19.384
−26.651
1.00
174.47
MOL2
C


ATOM
7093
CD
GLN
D
143
2.960
−19.853
−28.099
1.00
176.58
MOL2
C


ATOM
7094
OE1
GLN
D
143
2.457
−19.213
−29.029
1.00
176.14
MOL2
O


ATOM
7095
NE2
GLN
D
143
3.666
−20.969
−28.294
1.00
175.36
MOL2
N


ATOM
7096
C
GLN
D
143
1.576
−21.666
−25.362
1.00
168.61
MOL2
C


ATOM
7097
O
GLN
D
143
2.253
−21.353
−24.374
1.00
168.76
MOL2
O


ATOM
7098
N
THR
D
144
1.617
−22.875
−25.917
1.00
165.57
MOL2
N


ATOM
7099
CA
THR
D
144
2.493
−23.927
−25.417
1.00
162.67
MOL2
C


ATOM
7100
CB
THR
D
144
1.749
−25.280
−25.304
1.00
163.46
MOL2
C


ATOM
7101
OG1
THR
D
144
0.558
−25.108
−24.525
1.00
164.15
MOL2
O


ATOM
7102
CG2
THR
D
144
2.638
−26.330
−24.633
1.00
161.04
MOL2
C


ATOM
7103
C
THR
D
144
3.641
−24.067
−26.420
1.00
160.35
MOL2
C


ATOM
7104
O
THR
D
144
3.468
−23.802
−27.612
1.00
159.06
MOL2
O


ATOM
7105
N
ASN
D
145
4.806
−24.477
−25.926
1.00
157.50
MOL2
N


ATOM
7106
CA
ASN
D
145
6.007
−24.656
−26.744
1.00
151.64
MOL2
C


ATOM
7107
CB
ASN
D
145
5.756
−25.672
−27.878
1.00
155.26
MOL2
C


ATOM
7108
CG
ASN
D
145
7.047
−26.346
−28.370
1.00
156.04
MOL2
C


ATOM
7109
OD1
ASN
D
145
7.834
−26.869
−27.575
1.00
156.83
MOL2
O


ATOM
7110
ND2
ASN
D
145
7.254
−26.345
−29.683
1.00
155.28
MOL2
N


ATOM
7111
C
ASN
D
145
6.497
−23.322
−27.312
1.00
144.30
MOL2
C


ATOM
7112
O
ASN
D
145
5.791
−22.309
−27.274
1.00
139.79
MOL2
O


ATOM
7113
N
SER
D
146
7.721
−23.336
−27.827
1.00
138.02
MOL2
N


ATOM
7114
CA
SER
D
146
8.340
−22.143
−28.379
1.00
132.73
MOL2
C


ATOM
7115
CB
SER
D
146
9.865
−22.288
−28.356
1.00
131.99
MOL2
C


ATOM
7116
OG
SER
D
146
10.355
−22.370
−27.030
1.00
132.70
MOL2
O


ATOM
7117
C
SER
D
146
7.899
−21.800
−29.794
1.00
129.36
MOL2
C


ATOM
7118
O
SER
D
146
8.140
−20.688
−30.258
1.00
133.00
MOL2
O


ATOM
7119
N
MET
D
147
7.249
−22.733
−30.481
1.00
122.87
MOL2
N


ATOM
7120
CA
MET
D
147
6.831
−22.467
−31.851
1.00
116.75
MOL2
C


ATOM
7121
CB
MET
D
147
7.433
−23.516
−32.789
1.00
120.71
MOL2
C


ATOM
7122
CG
MET
D
147
8.942
−23.699
−32.641
1.00
125.86
MOL2
C


ATOM
7123
SD
MET
D
147
9.939
−22.254
−33.097
1.00
130.92
MOL2
S


ATOM
7124
CE
MET
D
147
10.431
−22.679
−34.789
1.00
132.60
MOL2
C


ATOM
7125
C
MET
D
147
5.326
−22.418
−32.046
1.00
112.57
MOL2
C


ATOM
7126
O
MET
D
147
4.564
−23.045
−31.306
1.00
111.57
MOL2
O


ATOM
7127
N
VAL
D
148
4.905
−21.661
−33.053
1.00
108.32
MOL2
N


ATOM
7128
CA
VAL
D
148
3.490
−21.535
−33.365
1.00
106.32
MOL2
C


ATOM
7129
CB
VAL
D
148
2.960
−20.149
−33.012
1.00
110.34
MOL2
C


ATOM
7130
CG1
VAL
D
148
1.446
−20.208
−32.891
1.00
111.40
MOL2
C


ATOM
7131
CG2
VAL
D
148
3.602
−19.657
−31.723
1.00
111.14
MOL2
C


ATOM
7132
C
VAL
D
148
3.269
−21.774
−34.848
1.00
103.55
MOL2
C


ATOM
7133
O
VAL
D
148
4.022
−21.280
−35.692
1.00
104.24
MOL2
O


ATOM
7134
N
THR
D
149
2.231
−22.536
−35.164
1.00
98.66
MOL2
N


ATOM
7135
CA
THR
D
149
1.935
−22.851
−36.549
1.00
96.52
MOL2
C


ATOM
7136
CB
THR
D
149
1.669
−24.363
−36.713
1.00
98.96
MOL2
C


ATOM
7137
OG1
THR
D
149
2.910
−25.080
−36.671
1.00
93.78
MOL2
O


ATOM
7138
CG2
THR
D
149
0.951
−24.638
−38.020
1.00
100.27
MOL2
C


ATOM
7139
C
THR
D
149
0.724
−22.082
−37.049
1.00
93.42
MOL2
C


ATOM
7140
O
THR
D
149
−0.354
−22.158
−36.454
1.00
91.24
MOL2
O


ATOM
7141
N
LEU
D
150
0.907
−21.333
−38.132
1.00
89.17
MOL2
N


ATOM
7142
CA
LEU
D
150
−0.193
−20.578
−38.715
1.00
86.07
MOL2
C


ATOM
7143
CB
LEU
D
150
0.136
−19.087
−38.777
1.00
90.77
MOL2
C


ATOM
7144
CG
LEU
D
150
−0.033
−18.397
−37.427
1.00
88.03
MOL2
C


ATOM
7145
CD1
LEU
D
150
−1.311
−18.924
−36.788
1.00
82.95
MOL2
C


ATOM
7146
CD2
LEU
D
150
1.159
−18.679
−36.532
1.00
90.89
MOL2
C


ATOM
7147
C
LEU
D
150
−0.477
−21.120
−40.101
1.00
83.75
MOL2
C


ATOM
7148
O
LEU
D
150
0.377
−21.775
−40.705
1.00
81.69
MOL2
O


ATOM
7149
N
GLY
D
151
−1.677
−20.853
−40.605
1.00
79.74
MOL2
N


ATOM
7150
CA
GLY
D
151
−2.031
−21.370
−41.908
1.00
82.13
MOL2
C


ATOM
7151
C
GLY
D
151
−2.755
−20.401
−42.809
1.00
83.28
MOL2
C


ATOM
7152
O
GLY
D
151
−3.049
−19.271
−42.433
1.00
84.80
MOL2
O


ATOM
7153
N
CYS
D
152
−3.050
−20.861
−44.014
1.00
83.96
MOL2
N


ATOM
7154
CA
CYS
D
152
−3.731
−20.038
−44.984
1.00
84.35
MOL2
C


ATOM
7155
C
CYS
D
152
−4.481
−20.952
−45.943
1.00
82.11
MOL2
C


ATOM
7156
O
CYS
D
152
−3.868
−21.646
−46.759
1.00
86.66
MOL2
O


ATOM
7157
CB
CYS
D
152
−2.708
−19.191
−45.731
1.00
94.24
MOL2
C


ATOM
7158
SG
CYS
D
152
−3.447
−18.069
−46.950
1.00
115.85
MOL2
S


ATOM
7159
N
LEU
D
153
−5.806
−20.974
−45.828
1.00
73.20
MOL2
N


ATOM
7160
CA
LEU
D
153
−6.622
−21.816
−46.694
1.00
70.35
MOL2
C


ATOM
7161
CB
LEU
D
153
−7.883
−22.280
−45.950
1.00
64.70
MOL2
C


ATOM
7162
CG
LEU
D
153
−8.887
−23.091
−46.786
1.00
68.18
MOL2
C


ATOM
7163
CD1
LEU
D
153
−8.173
−24.268
−47.414
1.00
73.13
MOL2
C


ATOM
7164
CD2
LEU
D
153
−10.045
−23.583
−45.929
1.00
64.94
MOL2
C


ATOM
7165
C
LEU
D
153
−7.005
−21.088
−47.992
1.00
71.66
MOL2
C


ATOM
7166
O
LEU
D
153
−7.522
−19.980
−47.967
1.00
76.30
MOL2
O


ATOM
7167
N
VAL
D
154
−6.734
−21.716
−49.127
1.00
69.81
MOL2
N


ATOM
7168
CA
VAL
D
154
−7.047
−21.137
−50.421
1.00
65.94
MOL2
C


ATOM
7169
CB
VAL
D
154
−5.778
−21.102
−51.301
1.00
68.33
MOL2
C


ATOM
7170
CG1
VAL
D
154
−6.106
−20.627
−52.707
1.00
68.34
MOL2
C


ATOM
7171
CG2
VAL
D
154
−4.747
−20.179
−50.651
1.00
67.27
MOL2
C


ATOM
7172
C
VAL
D
154
−8.140
−21.999
−51.033
1.00
67.13
MOL2
C


ATOM
7173
O
VAL
D
154
−7.877
−23.061
−51.616
1.00
68.63
MOL2
O


ATOM
7174
N
LYS
D
155
−9.378
−21.536
−50.892
1.00
66.86
MOL2
N


ATOM
7175
CA
LYS
D
155
−10.525
−22.293
−51.390
1.00
74.83
MOL2
C


ATOM
7176
CB
LYS
D
155
−11.660
−22.258
−50.354
1.00
78.06
MOL2
C


ATOM
7177
CG
LYS
D
155
−12.702
−23.379
−50.523
1.00
82.35
MOL2
C


ATOM
7178
CD
LYS
D
155
−13.491
−23.616
−49.227
1.00
82.38
MOL2
C


ATOM
7179
CE
LYS
D
155
−14.386
−24.856
−49.318
1.00
81.12
MOL2
C


ATOM
7180
NZ
LYS
D
155
−15.380
−24.801
−50.442
1.00
79.53
MOL2
N


ATOM
7181
C
LYS
D
155
−11.096
−21.928
−52.761
1.00
77.15
MOL2
C


ATOM
7182
O
LYS
D
155
−10.905
−20.813
−53.270
1.00
76.18
MOL2
O


ATOM
7183
N
GLY
D
156
−11.800
−22.905
−53.339
1.00
78.12
MOL2
N


ATOM
7184
CA
GLY
D
156
−12.443
−22.766
−54.638
1.00
81.40
MOL2
C


ATOM
7185
C
GLY
D
156
−11.833
−21.890
−55.726
1.00
83.33
MOL2
C


ATOM
7186
O
GLY
D
156
−12.312
−20.784
−55.986
1.00
87.51
MOL2
O


ATOM
7187
N
TYR
D
157
−10.783
−22.377
−56.375
1.00
81.41
MOL2
N


ATOM
7188
CA
TYR
D
157
−10.164
−21.622
−57.450
1.00
79.33
MOL2
C


ATOM
7189
CB
TYR
D
157
−8.839
−21.031
−57.000
1.00
80.57
MOL2
C


ATOM
7190
CG
TYR
D
157
−7.844
−22.078
−56.617
1.00
91.76
MOL2
C


ATOM
7191
CD1
TYR
D
157
−7.775
−22.559
−55.320
1.00
97.13
MOL2
C


ATOM
7192
CE1
TYR
D
157
−6.878
−23.548
−54.980
1.00
100.61
MOL2
C


ATOM
7193
CD2
TYR
D
157
−6.991
−22.615
−57.562
1.00
96.42
MOL2
C


ATOM
7194
CE2
TYR
D
157
−6.096
−23.601
−57.235
1.00
99.83
MOL2
C


ATOM
7195
CZ
TYR
D
157
−6.040
−24.063
−55.948
1.00
100.07
MOL2
C


ATOM
7196
OH
TYR
D
157
−5.125
−25.035
−55.638
1.00
102.18
MOL2
O


ATOM
7197
C
TYR
D
157
−9.954
−22.585
−58.606
1.00
79.39
MOL2
C


ATOM
7198
O
TYR
D
157
−9.916
−23.804
−58.404
1.00
77.77
MOL2
O


ATOM
7199
N
PHE
D
158
−9.821
−22.032
−59.810
1.00
80.14
MOL2
N


ATOM
7200
CA
PHE
D
158
−9.658
−22.829
−61.022
1.00
82.87
MOL2
C


ATOM
7201
CB
PHE
D
158
−11.019
−23.382
−61.454
1.00
78.27
MOL2
C


ATOM
7202
CG
PHE
D
158
−10.950
−24.358
−62.583
1.00
77.77
MOL2
C


ATOM
7203
CD1
PHE
D
158
−11.146
−25.710
−62.356
1.00
82.81
MOL2
C


ATOM
7204
CD2
PHE
D
158
−10.703
−23.928
−63.872
1.00
74.35
MOL2
C


ATOM
7205
CE1
PHE
D
158
−11.098
−26.618
−63.400
1.00
85.17
MOL2
C


ATOM
7206
CE2
PHE
D
158
−10.652
−24.823
−64.919
1.00
77.99
MOL2
C


ATOM
7207
CZ
PHE
D
158
−10.851
−26.172
−64.685
1.00
81.90
MOL2
C


ATOM
7208
C
PHE
D
158
−9.104
−21.956
−62.133
1.00
85.00
MOL2
C


ATOM
7209
O
PHE
D
158
−9.521
−20.828
−62.307
1.00
88.25
MOL2
O


ATOM
7210
N
PRO
D
159
−8.150
−22.472
−62.897
1.00
89.94
MOL2
N


ATOM
7211
CD
PRO
D
159
−7.851
−21.969
−64.249
1.00
92.24
MOL2
C


ATOM
7212
CA
PRO
D
159
−7.627
−23.822
−62.700
1.00
93.46
MOL2
C


ATOM
7213
CB
PRO
D
159
−7.566
−24.358
−64.115
1.00
99.28
MOL2
C


ATOM
7214
CG
PRO
D
159
−7.094
−23.128
−64.881
1.00
102.81
MOL2
C


ATOM
7215
C
PRO
D
159
−6.246
−23.737
−62.051
1.00
93.51
MOL2
C


ATOM
7216
O
PRO
D
159
−5.829
−22.671
−61.582
1.00
87.00
MOL2
O


ATOM
7217
N
GLU
D
160
−5.551
−24.866
−62.018
1.00
94.34
MOL2
N


ATOM
7218
CA
GLU
D
160
−4.214
−24.906
−61.465
1.00
94.97
MOL2
C


ATOM
7219
CB
GLU
D
160
−3.640
−26.307
−61.643
1.00
102.82
MOL2
C


ATOM
7220
CG
GLU
D
160
−4.451
−27.404
−60.983
1.00
104.68
MOL2
C


ATOM
7221
CD
GLU
D
160
−4.126
−27.551
−59.516
1.00
107.82
MOL2
C


ATOM
7222
OE1
GLU
D
160
−4.149
−26.529
−58.792
1.00
106.91
MOL2
O


ATOM
7223
OE2
GLU
D
160
−3.843
−28.693
−59.094
1.00
109.05
MOL2
O


ATOM
7224
C
GLU
D
160
−3.441
−23.926
−62.330
1.00
94.31
MOL2
C


ATOM
7225
O
GLU
D
160
−3.754
−23.751
−63.500
1.00
97.38
MOL2
O


ATOM
7226
N
PRO
D
161
−2.402
−23.303
−61.785
1.00
93.91
MOL2
N


ATOM
7227
CD
PRO
D
161
−1.293
−22.753
−62.584
1.00
99.05
MOL2
C


ATOM
7228
CA
PRO
D
161
−1.973
−23.515
−60.413
1.00
96.35
MOL2
C


ATOM
7229
CB
PRO
D
161
−0.544
−23.974
−60.601
1.00
105.77
MOL2
C


ATOM
7230
CG
PRO
D
161
−0.067
−22.959
−61.658
1.00
104.99
MOL2
C


ATOM
7231
C
PRO
D
161
−2.016
−22.201
−59.663
1.00
93.78
MOL2
C


ATOM
7232
O
PRO
D
161
−2.131
−21.139
−60.265
1.00
91.29
MOL2
O


ATOM
7233
N
VAL
D
162
−1.916
−22.287
−58.344
1.00
91.79
MOL2
N


ATOM
7234
CA
VAL
D
162
−1.883
−21.109
−57.493
1.00
87.39
MOL2
C


ATOM
7235
CB
VAL
D
162
−2.845
−21.211
−56.278
1.00
90.09
MOL2
C


ATOM
7236
CG1
VAL
D
162
−2.479
−20.146
−55.241
1.00
87.38
MOL2
C


ATOM
7237
CG2
VAL
D
162
−4.283
−21.031
−56.715
1.00
87.82
MOL2
C


ATOM
7238
C
VAL
D
162
−0.481
−21.118
−56.938
1.00
85.24
MOL2
C


ATOM
7239
O
VAL
D
162
0.134
−22.181
−56.827
1.00
89.31
MOL2
O


ATOM
7240
N
THR
D
163
0.030
−19.950
−56.588
1.00
80.88
MOL2
N


ATOM
7241
CA
THR
D
163
1.361
−19.885
−56.014
1.00
85.73
MOL2
C


ATOM
7242
CB
THR
D
163
2.342
−19.078
−56.916
1.00
88.94
MOL2
C


ATOM
7243
OG1
THR
D
163
2.954
−18.025
−56.154
1.00
87.05
MOL2
O


ATOM
7244
CG2
THR
D
163
1.609
−18.498
−58.123
1.00
90.22
MOL2
C


ATOM
7245
C
THR
D
163
1.272
−19.231
−54.650
1.00
83.87
MOL2
C


ATOM
7246
O
THR
D
163
0.841
−18.092
−54.543
1.00
82.71
MOL2
O


ATOM
7247
N
VAL
D
164
1.655
−19.956
−53.603
1.00
85.61
MOL2
N


ATOM
7248
CA
VAL
D
164
1.619
−19.373
−52.270
1.00
85.22
MOL2
C


ATOM
7249
CB
VAL
D
164
0.825
−20.216
−51.277
1.00
81.96
MOL2
C


ATOM
7250
CG1
VAL
D
164
0.810
−19.517
−49.918
1.00
72.46
MOL2
C


ATOM
7251
CG2
VAL
D
164
−0.592
−20.415
−51.792
1.00
77.75
MOL2
C


ATOM
7252
C
VAL
D
164
3.009
−19.142
−51.712
1.00
89.12
MOL2
C


ATOM
7253
O
VAL
D
164
3.959
−19.864
−52.029
1.00
92.47
MOL2
O


ATOM
7254
N
THR
D
165
3.113
−18.113
−50.882
1.00
91.76
MOL2
N


ATOM
7255
CA
THR
D
165
4.377
−17.723
−50.275
1.00
99.22
MOL2
C


ATOM
7256
CB
THR
D
165
5.179
−16.788
−51.205
1.00
106.57
MOL2
C


ATOM
7257
OG1
THR
D
165
5.686
−15.683
−50.439
1.00
108.68
MOL2
O


ATOM
7258
CG2
THR
D
165
4.292
−16.259
−52.343
1.00
106.51
MOL2
C


ATOM
7259
C
THR
D
165
4.115
−16.958
−48.989
1.00
97.95
MOL2
C


ATOM
7260
O
THR
D
165
3.040
−16.400
−48.812
1.00
95.05
MOL2
O


ATOM
7261
N
TRP
D
166
5.094
−16.929
−48.091
1.00
100.90
MOL2
N


ATOM
7262
CA
TRP
D
166
4.923
−16.198
−46.842
1.00
105.67
MOL2
C


ATOM
7263
CB
TRP
D
166
5.028
−17.136
−45.626
1.00
109.45
MOL2
C


ATOM
7264
CG
TRP
D
166
3.847
−18.088
−45.503
1.00
114.29
MOL2
C


ATOM
7265
CD2
TRP
D
166
2.735
−17.973
−44.605
1.00
116.27
MOL2
C


ATOM
7266
CE2
TRP
D
166
1.847
−19.031
−44.899
1.00
117.82
MOL2
C


ATOM
7267
CE3
TRP
D
166
2.401
−17.076
−43.586
1.00
119.27
MOL2
C


ATOM
7268
CD1
TRP
D
166
3.594
−19.188
−46.277
1.00
117.59
MOL2
C


ATOM
7269
NE1
TRP
D
166
2.395
−19.759
−45.921
1.00
115.70
MOL2
N


ATOM
7270
CZ2
TRP
D
166
0.648
−19.214
−44.213
1.00
120.98
MOL2
C


ATOM
7271
CZ3
TRP
D
166
1.207
−17.259
−42.905
1.00
122.60
MOL2
C


ATOM
7272
CH2
TRP
D
166
0.345
−18.319
−43.223
1.00
123.26
MOL2
C


ATOM
7273
C
TRP
D
166
5.910
−15.038
−46.728
1.00
109.48
MOL2
C


ATOM
7274
O
TRP
D
166
7.126
−15.207
−46.875
1.00
109.46
MOL2
O


ATOM
7275
N
ASN
D
167
5.353
−13.856
−46.466
1.00
113.38
MOL2
N


ATOM
7276
CA
ASN
D
167
6.104
−12.608
−46.352
1.00
114.54
MOL2
C


ATOM
7277
CB
ASN
D
167
6.947
−12.600
−45.078
1.00
118.94
MOL2
C


ATOM
7278
CG
ASN
D
167
6.109
−12.324
−43.834
1.00
124.05
MOL2
C


ATOM
7279
OD1
ASN
D
167
4.937
−12.710
−43.760
1.00
122.77
MOL2
O


ATOM
7280
ND2
ASN
D
167
6.711
−11.663
−42.847
1.00
127.26
MOL2
N


ATOM
7281
C
ASN
D
167
6.952
−12.374
−47.594
1.00
114.51
MOL2
C


ATOM
7282
O
ASN
D
167
8.093
−11.908
−47.529
1.00
112.51
MOL2
O


ATOM
7283
N
SER
D
168
6.349
−12.713
−48.729
1.00
114.88
MOL2
N


ATOM
7284
CA
SER
D
168
6.948
−12.559
−50.046
1.00
117.71
MOL2
C


ATOM
7285
CB
SER
D
168
7.043
−11.068
−50.384
1.00
120.77
MOL2
C


ATOM
7286
OG
SER
D
168
5.760
−10.461
−50.326
1.00
120.73
MOL2
O


ATOM
7287
C
SER
D
168
8.308
−13.240
−50.236
1.00
118.45
MOL2
C


ATOM
7288
O
SER
D
168
9.033
−12.940
−51.190
1.00
119.88
MOL2
O


ATOM
7289
N
GLY
D
169
8.647
−14.167
−49.345
1.00
116.49
MOL2
N


ATOM
7290
CA
GLY
D
169
9.916
−14.863
−49.470
1.00
115.34
MOL2
C


ATOM
7291
C
GLY
D
169
10.733
−14.831
−48.196
1.00
116.67
MOL2
C


ATOM
7292
O
GLY
D
169
11.731
−15.547
−48.068
1.00
116.08
MOL2
O


ATOM
7293
N
SER
D
170
10.305
−13.991
−47.257
1.00
117.66
MOL2
N


ATOM
7294
CA
SER
D
170
10.968
−13.838
−45.962
1.00
118.92
MOL2
C


ATOM
7295
CB
SER
D
170
10.208
−12.789
−45.123
1.00
118.48
MOL2
C


ATOM
7296
OG
SER
D
170
10.823
−12.535
−43.870
1.00
117.76
MOL2
O


ATOM
7297
C
SER
D
170
11.005
−15.193
−45.236
1.00
118.99
MOL2
C


ATOM
7298
O
SER
D
170
12.025
−15.567
−44.638
1.00
120.02
MOL2
O


ATOM
7299
N
LEU
D
171
9.890
−15.922
−45.299
1.00
114.98
MOL2
N


ATOM
7300
CA
LEU
D
171
9.788
−17.233
−44.664
1.00
111.28
MOL2
C


ATOM
7301
CB
LEU
D
171
8.481
−17.377
−43.885
1.00
106.75
MOL2
C


ATOM
7302
CG
LEU
D
171
8.112
−16.341
−42.832
1.00
104.87
MOL2
C


ATOM
7303
CD1
LEU
D
171
9.349
−15.874
−42.057
1.00
102.21
MOL2
C


ATOM
7304
CD2
LEU
D
171
7.458
−15.196
−43.537
1.00
104.02
MOL2
C


ATOM
7305
C
LEU
D
171
9.815
−18.323
−45.712
1.00
112.63
MOL2
C


ATOM
7306
O
LEU
D
171
8.872
−18.450
−46.488
1.00
113.84
MOL2
O


ATOM
7307
N
SER
D
172
10.885
−19.114
−45.734
1.00
116.51
MOL2
N


ATOM
7308
CA
SER
D
172
10.991
−20.211
−46.699
1.00
120.66
MOL2
C


ATOM
7309
CB
SER
D
172
12.198
−20.009
−47.633
1.00
122.80
MOL2
C


ATOM
7310
OG
SER
D
172
13.427
−19.984
−46.924
1.00
128.10
MOL2
O


ATOM
7311
C
SER
D
172
11.115
−21.546
−45.966
1.00
120.50
MOL2
C


ATOM
7312
O
SER
D
172
10.645
−22.582
−46.451
1.00
117.91
MOL2
O


ATOM
7313
N
SER
D
173
11.737
−21.494
−44.787
1.00
120.00
MOL2
N


ATOM
7314
CA
SER
D
173
11.958
−22.666
−43.943
1.00
117.46
MOL2
C


ATOM
7315
CB
SER
D
173
13.241
−22.490
−43.119
1.00
119.76
MOL2
C


ATOM
7316
OG
SER
D
173
13.086
−21.472
−42.140
1.00
120.60
MOL2
O


ATOM
7317
C
SER
D
173
10.791
−22.871
−42.988
1.00
113.90
MOL2
C


ATOM
7318
O
SER
D
173
10.213
−21.907
−42.487
1.00
111.94
MOL2
O


ATOM
7319
N
GLY
D
174
10.460
−24.129
−42.724
1.00
111.91
MOL2
N


ATOM
7320
CA
GLY
D
174
9.361
−24.417
−41.819
1.00
109.17
MOL2
C


ATOM
7321
C
GLY
D
174
8.008
−24.127
−42.447
1.00
105.52
MOL2
C


ATOM
7322
O
GLY
D
174
7.022
−23.867
−41.753
1.00
99.48
MOL2
O


ATOM
7323
N
VAL
D
175
7.961
−24.171
−43.773
1.00
103.61
MOL2
N


ATOM
7324
CA
VAL
D
175
6.718
−23.913
−44.481
1.00
99.51
MOL2
C


ATOM
7325
CB
VAL
D
175
6.875
−22.731
−45.459
1.00
105.14
MOL2
C


ATOM
7326
CG1
VAL
D
175
5.512
−22.351
−46.038
1.00
105.60
MOL2
C


ATOM
7327
CG2
VAL
D
175
7.528
−21.549
−44.742
1.00
101.57
MOL2
C


ATOM
7328
C
VAL
D
175
6.264
−25.151
−45.245
1.00
94.61
MOL2
C


ATOM
7329
O
VAL
D
175
7.066
−25.840
−45.888
1.00
96.65
MOL2
O


ATOM
7330
N
HIS
D
176
4.971
−25.434
−45.156
1.00
87.43
MOL2
N


ATOM
7331
CA
HIS
D
176
4.397
−26.587
−45.834
1.00
86.07
MOL2
C


ATOM
7332
CB
HIS
D
176
3.950
−27.660
−44.827
1.00
86.41
MOL2
C


ATOM
7333
CG
HIS
D
176
5.073
−28.275
−44.049
1.00
88.28
MOL2
C


ATOM
7334
CD2
HIS
D
176
5.081
−28.931
−42.864
1.00
88.64
MOL2
C


ATOM
7335
ND1
HIS
D
176
6.380
−28.259
−44.487
1.00
88.23
MOL2
N


ATOM
7336
CE1
HIS
D
176
7.146
−28.875
−43.604
1.00
88.02
MOL2
C


ATOM
7337
NE2
HIS
D
176
6.382
−29.292
−42.610
1.00
89.74
MOL2
N


ATOM
7338
C
HIS
D
176
3.190
−26.170
−46.646
1.00
81.52
MOL2
C


ATOM
7339
O
HIS
D
176
2.136
−25.899
−46.086
1.00
80.11
MOL2
O


ATOM
7340
N
THR
D
177
3.340
−26.116
−47.962
1.00
76.57
MOL2
N


ATOM
7341
CA
THR
D
177
2.224
−25.754
−48.816
1.00
72.97
MOL2
C


ATOM
7342
CB
THR
D
177
2.662
−24.744
−49.877
1.00
80.82
MOL2
C


ATOM
7343
OG1
THR
D
177
3.372
−23.671
−49.242
1.00
85.30
MOL2
O


ATOM
7344
CG2
THR
D
177
1.450
−24.183
−50.599
1.00
83.37
MOL2
C


ATOM
7345
C
THR
D
177
1.772
−27.051
−49.467
1.00
67.91
MOL2
C


ATOM
7346
O
THR
D
177
2.470
−27.619
−50.313
1.00
70.89
MOL2
O


ATOM
7347
N
PHE
D
178
0.601
−27.513
−49.056
1.00
60.03
MOL2
N


ATOM
7348
CA
PHE
D
178
0.041
−28.771
−49.527
1.00
61.67
MOL2
C


ATOM
7349
CB
PHE
D
178
−1.032
−29.216
−48.529
1.00
68.29
MOL2
C


ATOM
7350
CG
PHE
D
178
−0.528
−29.307
−47.100
1.00
73.75
MOL2
C


ATOM
7351
CD1
PHE
D
178
−0.041
−30.499
−46.590
1.00
72.53
MOL2
C


ATOM
7352
CD2
PHE
D
178
−0.482
−28.183
−46.293
1.00
75.98
MOL2
C


ATOM
7353
CE1
PHE
D
178
0.481
−30.564
−45.314
1.00
71.77
MOL2
C


ATOM
7354
CE2
PHE
D
178
0.041
−28.247
−45.013
1.00
76.50
MOL2
C


ATOM
7355
CZ
PHE
D
178
0.523
−29.436
−44.527
1.00
73.58
MOL2
C


ATOM
7356
C
PHE
D
178
−0.531
−28.770
−50.931
1.00
60.36
MOL2
C


ATOM
7357
O
PHE
D
178
−0.891
−27.736
−51.465
1.00
62.95
MOL2
O


ATOM
7358
N
PRO
D
179
−0.579
−29.944
−51.561
1.00
63.42
MOL2
N


ATOM
7359
CD
PRO
D
179
0.313
−31.052
−51.192
1.00
71.38
MOL2
C


ATOM
7360
CA
PRO
D
179
−1.104
−30.153
−52.908
1.00
68.95
MOL2
C


ATOM
7361
CB
PRO
D
179
−0.856
−31.636
−53.137
1.00
70.55
MOL2
C


ATOM
7362
CG
PRO
D
179
0.475
−31.800
−52.516
1.00
74.91
MOL2
C


ATOM
7363
C
PRO
D
179
−2.577
−29.813
−52.968
1.00
70.15
MOL2
C


ATOM
7364
O
PRO
D
179
−3.340
−30.171
−52.072
1.00
70.16
MOL2
O


ATOM
7365
N
ALA
D
180
−2.980
−29.115
−54.018
1.00
72.73
MOL2
N


ATOM
7366
CA
ALA
D
180
−4.382
−28.767
−54.157
1.00
74.70
MOL2
C


ATOM
7367
CB
ALA
D
180
−4.580
−27.830
−55.315
1.00
76.02
MOL2
C


ATOM
7368
C
ALA
D
180
−5.172
−30.038
−54.388
1.00
78.51
MOL2
C


ATOM
7369
O
ALA
D
180
−4.664
−31.013
−54.952
1.00
80.95
MOL2
O


ATOM
7370
N
VAL
D
181
−6.415
−30.040
−53.935
1.00
83.08
MOL2
N


ATOM
7371
CA
VAL
D
181
−7.260
−31.205
−54.138
1.00
86.75
MOL2
C


ATOM
7372
CB
VAL
D
181
−7.495
−31.978
−52.812
1.00
89.63
MOL2
C


ATOM
7373
CG1
VAL
D
181
−8.201
−31.098
−51.794
1.00
92.37
MOL2
C


ATOM
7374
CG2
VAL
D
181
−8.286
−33.244
−53.096
1.00
91.56
MOL2
C


ATOM
7375
C
VAL
D
181
−8.579
−30.763
−54.771
1.00
85.95
MOL2
C


ATOM
7376
O
VAL
D
181
−9.027
−29.629
−54.586
1.00
82.58
MOL2
O


ATOM
7377
N
LEU
D
182
−9.188
−31.652
−55.542
1.00
89.33
MOL2
N


ATOM
7378
CA
LEU
D
182
−10.438
−31.319
−56.213
1.00
99.47
MOL2
C


ATOM
7379
CB
LEU
D
182
−10.663
−32.212
−57.438
1.00
103.48
MOL2
C


ATOM
7380
CG
LEU
D
182
−9.979
−31.802
−58.741
1.00
104.61
MOL2
C


ATOM
7381
CD1
LEU
D
182
−10.465
−30.434
−59.175
1.00
101.89
MOL2
C


ATOM
7382
CD2
LEU
D
182
−8.479
−31.803
−58.533
1.00
111.01
MOL2
C


ATOM
7383
C
LEU
D
182
−11.675
−31.397
−55.337
1.00
105.64
MOL2
C


ATOM
7384
O
LEU
D
182
−12.117
−32.487
−54.957
1.00
106.49
MOL2
O


ATOM
7385
N
GLN
D
183
−12.244
−30.234
−55.038
1.00
111.66
MOL2
N


ATOM
7386
CA
GLN
D
183
−13.452
−30.167
−54.228
1.00
117.55
MOL2
C


ATOM
7387
CB
GLN
D
183
−13.296
−29.107
−53.134
1.00
121.80
MOL2
C


ATOM
7388
CG
GLN
D
183
−14.429
−29.097
−52.125
1.00
127.48
MOL2
C


ATOM
7389
CD
GLN
D
183
−14.151
−28.176
−50.956
1.00
134.62
MOL2
C


ATOM
7390
OE1
GLN
D
183
−13.935
−26.976
−51.136
1.00
137.26
MOL2
O


ATOM
7391
NE2
GLN
D
183
−14.154
−28.735
−49.745
1.00
136.36
MOL2
N


ATOM
7392
C
GLN
D
183
−14.642
−29.828
−55.132
1.00
117.41
MOL2
C


ATOM
7393
O
GLN
D
183
−15.074
−28.674
−55.206
1.00
115.92
MOL2
O


ATOM
7394
N
SER
D
184
−15.153
−30.848
−55.821
1.00
117.21
MOL2
N


ATOM
7395
CA
SER
D
184
−16.284
−30.695
−56.735
1.00
116.49
MOL2
C


ATOM
7396
CB
SER
D
184
−17.567
−30.374
−55.952
1.00
118.76
MOL2
C


ATOM
7397
OG
SER
D
184
−18.715
−30.434
−56.785
1.00
117.15
MOL2
O


ATOM
7398
C
SER
D
184
−16.001
−29.599
−57.766
1.00
114.43
MOL2
C


ATOM
7399
O
SER
D
184
−16.331
−28.423
−57.566
1.00
113.94
MOL2
O


ATOM
7400
N
ASP
D
185
−15.373
−30.003
−58.866
1.00
109.97
MOL2
N


ATOM
7401
CA
ASP
D
185
−15.027
−29.092
−59.953
1.00
106.35
MOL2
C


ATOM
7402
CB
ASP
D
185
−16.276
−28.756
−60.778
1.00
109.89
MOL2
C


ATOM
7403
CG
ASP
D
185
−16.703
−29.900
−61.688
1.00
114.04
MOL2
C


ATOM
7404
OD1
ASP
D
185
−16.865
−31.031
−61.181
1.00
116.14
MOL2
O


ATOM
7405
OD2
ASP
D
185
−16.879
−29.666
−62.908
1.00
111.22
MOL2
O


ATOM
7406
C
ASP
D
185
−14.362
−27.800
−59.491
1.00
101.63
MOL2
C


ATOM
7407
O
ASP
D
185
−14.626
−26.734
−60.036
1.00
101.10
MOL2
O


ATOM
7408
N
LEU
D
186
−13.497
−27.894
−58.489
1.00
97.57
MOL2
N


ATOM
7409
CA
LEU
D
186
−12.804
−26.719
−57.982
1.00
94.35
MOL2
C


ATOM
7410
CB
LEU
D
186
−13.771
−25.834
−57.206
1.00
97.44
MOL2
C


ATOM
7411
CG
LEU
D
186
−13.994
−24.493
−57.894
1.00
98.32
MOL2
C


ATOM
7412
CD1
LEU
D
186
−14.678
−23.525
−56.955
1.00
101.00
MOL2
C


ATOM
7413
CD2
LEU
D
186
−12.656
−23.944
−58.309
1.00
96.21
MOL2
C


ATOM
7414
C
LEU
D
186
−11.629
−27.089
−57.093
1.00
91.57
MOL2
C


ATOM
7415
O
LEU
D
186
−11.710
−28.030
−56.298
1.00
87.44
MOL2
O


ATOM
7416
N
TYR
D
187
−10.545
−26.329
−57.220
1.00
88.85
MOL2
N


ATOM
7417
CA
TYR
D
187
−9.332
−26.589
−56.452
1.00
89.15
MOL2
C


ATOM
7418
CB
TYR
D
187
−8.094
−26.188
−57.270
1.00
90.53
MOL2
C


ATOM
7419
CG
TYR
D
187
−7.915
−26.965
−58.560
1.00
97.55
MOL2
C


ATOM
7420
CD1
TYR
D
187
−7.866
−28.353
−58.568
1.00
98.39
MOL2
C


ATOM
7421
CE1
TYR
D
187
−7.693
−29.055
−59.747
1.00
100.52
MOL2
C


ATOM
7422
CD2
TYR
D
187
−7.786
−26.308
−59.772
1.00
103.60
MOL2
C


ATOM
7423
CE2
TYR
D
187
−7.615
−27.007
−60.957
1.00
106.54
MOL2
C


ATOM
7424
CZ
TYR
D
187
−7.569
−28.378
−60.936
1.00
105.62
MOL2
C


ATOM
7425
OH
TYR
D
187
−7.388
−29.067
−62.112
1.00
112.90
MOL2
O


ATOM
7426
C
TYR
D
187
−9.278
−25.893
−55.098
1.00
84.84
MOL2
C


ATOM
7427
O
TYR
D
187
−9.577
−24.710
−54.989
1.00
81.67
MOL2
O


ATOM
7428
N
THR
D
188
−8.889
−26.645
−54.072
1.00
83.80
MOL2
N


ATOM
7429
CA
THR
D
188
−8.757
−26.120
−52.716
1.00
82.80
MOL2
C


ATOM
7430
CB
THR
D
188
−9.873
−26.626
−51.790
1.00
86.64
MOL2
C


ATOM
7431
OG1
THR
D
188
−11.155
−26.274
−52.327
1.00
92.13
MOL2
O


ATOM
7432
CG2
THR
D
188
−9.715
−26.012
−50.412
1.00
85.38
MOL2
C


ATOM
7433
C
THR
D
188
−7.432
−26.618
−52.149
1.00
80.21
MOL2
C


ATOM
7434
O
THR
D
188
−7.135
−27.816
−52.213
1.00
77.53
MOL2
O


ATOM
7435
N
LEU
D
189
−6.638
−25.703
−51.601
1.00
75.75
MOL2
N


ATOM
7436
CA
LEU
D
189
−5.344
−26.068
−51.036
1.00
71.42
MOL2
C


ATOM
7437
CB
LEU
D
189
−4.214
−25.786
−52.035
1.00
67.24
MOL2
C


ATOM
7438
CG
LEU
D
189
−3.627
−24.369
−52.109
1.00
63.69
MOL2
C


ATOM
7439
CD1
LEU
D
189
−2.736
−24.067
−50.915
1.00
55.23
MOL2
C


ATOM
7440
CD2
LEU
D
189
−2.802
−24.260
−53.371
1.00
68.68
MOL2
C


ATOM
7441
C
LEU
D
189
−5.093
−25.264
−49.780
1.00
69.79
MOL2
C


ATOM
7442
O
LEU
D
189
−5.613
−24.168
−49.625
1.00
69.82
MOL2
O


ATOM
7443
N
SER
D
190
−4.268
−25.810
−48.899
1.00
70.07
MOL2
N


ATOM
7444
CA
SER
D
190
−3.926
−25.157
−47.643
1.00
66.76
MOL2
C


ATOM
7445
CB
SER
D
190
−4.446
−26.000
−46.478
1.00
67.94
MOL2
C


ATOM
7446
OG
SER
D
190
−4.713
−27.343
−46.889
1.00
68.93
MOL2
O


ATOM
7447
C
SER
D
190
−2.418
−25.006
−47.541
1.00
65.99
MOL2
C


ATOM
7448
O
SER
D
190
−1.666
−25.640
−48.285
1.00
71.65
MOL2
O


ATOM
7449
N
SER
D
191
−1.966
−24.168
−46.625
1.00
61.24
MOL2
N


ATOM
7450
CA
SER
D
191
−0.535
−23.979
−46.463
1.00
67.78
MOL2
C


ATOM
7451
CB
SER
D
191
−0.012
−22.949
−47.461
1.00
64.40
MOL2
C


ATOM
7452
OG
SER
D
191
1.351
−22.654
−47.200
1.00
64.07
MOL2
O


ATOM
7453
C
SER
D
191
−0.201
−23.527
−45.055
1.00
71.33
MOL2
C


ATOM
7454
O
SER
D
191
−0.644
−22.475
−44.614
1.00
72.50
MOL2
O


ATOM
7455
N
SER
D
192
0.592
−24.329
−44.357
1.00
74.03
MOL2
N


ATOM
7456
CA
SER
D
192
0.984
−24.018
−43.003
1.00
76.14
MOL2
C


ATOM
7457
CB
SER
D
192
0.948
−25.274
−42.154
1.00
78.39
MOL2
C


ATOM
7458
OG
SER
D
192
1.638
−25.057
−40.940
1.00
88.40
MOL2
O


ATOM
7459
C
SER
D
192
2.378
−23.420
−42.940
1.00
81.28
MOL2
C


ATOM
7460
O
SER
D
192
3.200
−23.601
−43.848
1.00
81.58
MOL2
O


ATOM
7461
N
VAL
D
193
2.631
−22.716
−41.842
1.00
84.79
MOL2
N


ATOM
7462
CA
VAL
D
193
3.910
−22.069
−41.591
1.00
87.41
MOL2
C


ATOM
7463
CB
VAL
D
193
3.912
−20.611
−42.080
1.00
88.21
MOL2
C


ATOM
7464
CG1
VAL
D
193
2.707
−19.880
−41.523
1.00
87.93
MOL2
C


ATOM
7465
CG2
VAL
D
193
5.186
−19.919
−41.616
1.00
89.40
MOL2
C


ATOM
7466
C
VAL
D
193
4.176
−22.046
−40.088
1.00
87.14
MOL2
C


ATOM
7467
O
VAL
D
193
3.368
−21.529
−39.310
1.00
76.15
MOL2
O


ATOM
7468
N
THR
D
194
5.305
−22.617
−39.685
1.00
90.79
MOL2
N


ATOM
7469
CA
THR
D
194
5.677
−22.636
−38.281
1.00
94.76
MOL2
C


ATOM
7470
CB
THR
D
194
6.478
−23.898
−37.926
1.00
102.47
MOL2
C


ATOM
7471
OG1
THR
D
194
5.656
−25.054
−38.129
1.00
113.20
MOL2
O


ATOM
7472
CG2
THR
D
194
6.933
−23.850
−36.469
1.00
104.71
MOL2
C


ATOM
7473
C
THR
D
194
6.540
−21.416
−38.016
1.00
93.94
MOL2
C


ATOM
7474
O
THR
D
194
7.185
−20.889
−38.929
1.00
91.41
MOL2
O


ATOM
7475
N
VAL
D
195
6.560
−20.977
−36.763
1.00
94.99
MOL2
N


ATOM
7476
CA
VAL
D
195
7.321
−19.793
−36.391
1.00
96.41
MOL2
C


ATOM
7477
CB
VAL
D
195
6.609
−18.518
−36.904
1.00
99.17
MOL2
C


ATOM
7478
CG1
VAL
D
195
5.292
−18.323
−36.148
1.00
93.52
MOL2
C


ATOM
7479
CG2
VAL
D
195
7.510
−17.300
−36.744
1.00
102.91
MOL2
C


ATOM
7480
C
VAL
D
195
7.448
−19.672
−34.879
1.00
97.60
MOL2
C


ATOM
7481
O
VAL
D
195
6.560
−20.091
−34.129
1.00
91.61
MOL2
O


ATOM
7482
N
PRO
D
196
8.561
−19.088
−34.410
1.00
101.67
MOL2
N


ATOM
7483
CD
PRO
D
196
9.788
−18.768
−35.166
1.00
103.43
MOL2
C


ATOM
7484
CA
PRO
D
196
8.774
−18.918
−32.970
1.00
105.47
MOL2
C


ATOM
7485
CB
PRO
D
196
10.160
−18.277
−32.900
1.00
106.21
MOL2
C


ATOM
7486
CG
PRO
D
196
10.857
−18.870
−34.100
1.00
107.54
MOL2
C


ATOM
7487
C
PRO
D
196
7.687
−18.046
−32.331
1.00
107.87
MOL2
C


ATOM
7488
O
PRO
D
196
7.369
−16.965
−32.831
1.00
107.05
MOL2
O


ATOM
7489
N
SER
D
197
7.119
−18.533
−31.230
1.00
111.25
MOL2
N


ATOM
7490
CA
SER
D
197
6.068
−17.822
−30.501
1.00
114.37
MOL2
C


ATOM
7491
CB
SER
D
197
5.747
−18.555
−29.201
1.00
114.73
MOL2
C


ATOM
7492
OG
SER
D
197
4.997
−17.719
−28.336
1.00
117.18
MOL2
O


ATOM
7493
C
SER
D
197
6.426
−16.376
−30.160
1.00
115.72
MOL2
C


ATOM
7494
O
SER
D
197
5.548
−15.517
−30.029
1.00
112.73
MOL2
O


ATOM
7495
N
SER
D
198
7.718
−16.117
−30.001
1.00
118.69
MOL2
N


ATOM
7496
CA
SER
D
198
8.196
−14.782
−29.668
1.00
119.63
MOL2
C


ATOM
7497
CB
SER
D
198
9.660
−14.843
−29.212
1.00
121.19
MOL2
C


ATOM
7498
OG
SER
D
198
9.826
−15.760
−28.143
1.00
123.39
MOL2
O


ATOM
7499
C
SER
D
198
8.076
−13.823
−30.848
1.00
119.24
MOL2
C


ATOM
7500
O
SER
D
198
7.943
−12.619
−30.650
1.00
120.42
MOL2
O


ATOM
7501
N
THR
D
199
8.123
−14.355
−32.070
1.00
119.47
MOL2
N


ATOM
7502
CA
THR
D
199
8.033
−13.521
−33.269
1.00
119.49
MOL2
C


ATOM
7503
CB
THR
D
199
9.011
−14.010
−34.391
1.00
122.39
MOL2
C


ATOM
7504
OG1
THR
D
199
8.584
−15.281
−34.899
1.00
120.61
MOL2
O


ATOM
7505
CG2
THR
D
199
10.443
−14.133
−33.842
1.00
121.02
MOL2
C


ATOM
7506
C
THR
D
199
6.614
−13.423
−33.840
1.00
117.74
MOL2
C


ATOM
7507
O
THR
D
199
6.429
−13.194
−35.036
1.00
118.98
MOL2
O


ATOM
7508
N
TRP
D
200
5.620
−13.593
−32.971
1.00
115.27
MOL2
N


ATOM
7509
CA
TRP
D
200
4.214
−13.498
−33.358
1.00
115.29
MOL2
C


ATOM
7510
CB
TRP
D
200
3.794
−14.690
−34.209
1.00
112.54
MOL2
C


ATOM
7511
CG
TRP
D
200
2.404
−14.547
−34.760
1.00
112.93
MOL2
C


ATOM
7512
CD2
TRP
D
200
1.199
−15.076
−34.195
1.00
111.49
MOL2
C


ATOM
7513
CE2
TRP
D
200
0.133
−14.685
−35.039
1.00
111.78
MOL2
C


ATOM
7514
CE3
TRP
D
200
0.916
−15.840
−33.058
1.00
108.68
MOL2
C


ATOM
7515
CD1
TRP
D
200
2.031
−13.872
−35.893
1.00
113.78
MOL2
C


ATOM
7516
NE1
TRP
D
200
0.667
−13.953
−36.067
1.00
111.33
MOL2
N


ATOM
7517
CZ2
TRP
D
200
−1.192
−15.036
−34.780
1.00
111.08
MOL2
C


ATOM
7518
CZ3
TRP
D
200
−0.402
−16.188
−32.803
1.00
110.71
MOL2
C


ATOM
7519
CH2
TRP
D
200
−1.438
−15.787
−33.661
1.00
110.41
MOL2
C


ATOM
7520
C
TRP
D
200
3.348
−13.462
−32.101
1.00
118.97
MOL2
C


ATOM
7521
O
TRP
D
200
3.570
−14.241
−31.171
1.00
119.87
MOL2
O


ATOM
7522
N
PRO
D
201
2.337
−12.570
−32.061
1.00
121.33
MOL2
N


ATOM
7523
CD
PRO
D
201
1.373
−12.527
−30.948
1.00
120.64
MOL2
C


ATOM
7524
CA
PRO
D
201
1.952
−11.607
−33.103
1.00
120.57
MOL2
C


ATOM
7525
CB
PRO
D
201
0.572
−11.119
−32.643
1.00
120.36
MOL2
C


ATOM
7526
CG
PRO
D
201
0.101
−12.181
−31.666
1.00
119.61
MOL2
C


ATOM
7527
C
PRO
D
201
2.925
−10.440
−33.249
1.00
120.32
MOL2
C


ATOM
7528
O
PRO
D
201
2.673
−9.522
−34.031
1.00
118.99
MOL2
O


ATOM
7529
N
SER
D
202
4.017
−10.478
−32.482
1.00
121.83
MOL2
N


ATOM
7530
CA
SER
D
202
5.046
−9.433
−32.501
1.00
123.93
MOL2
C


ATOM
7531
CB
SER
D
202
6.362
−9.976
−31.927
1.00
120.25
MOL2
C


ATOM
7532
OG
SER
D
202
7.385
−8.992
−31.938
1.00
112.87
MOL2
O


ATOM
7533
C
SER
D
202
5.283
−8.901
−33.913
1.00
127.62
MOL2
C


ATOM
7534
O
SER
D
202
4.783
−7.829
−34.275
1.00
129.11
MOL2
O


ATOM
7535
N
GLU
D
203
6.057
−9.640
−34.704
1.00
128.68
MOL2
N


ATOM
7536
CA
GLU
D
203
6.317
−9.244
−36.083
1.00
129.64
MOL2
C


ATOM
7537
CB
GLU
D
203
7.517
−10.005
−36.649
1.00
129.05
MOL2
C


ATOM
7538
CG
GLU
D
203
8.854
−9.554
−36.090
1.00
132.77
MOL2
C


ATOM
7539
CD
GLU
D
203
10.022
−10.330
−36.671
1.00
134.26
MOL2
C


ATOM
7540
OE1
GLU
D
203
10.046
−10.528
−37.906
1.00
133.87
MOL2
O


ATOM
7541
OE2
GLU
D
203
10.917
−10.732
−35.895
1.00
134.13
MOL2
O


ATOM
7542
C
GLU
D
203
5.067
−9.578
−36.886
1.00
131.08
MOL2
C


ATOM
7543
O
GLU
D
203
4.026
−9.920
−36.316
1.00
130.66
MOL2
O


ATOM
7544
N
THR
D
204
5.156
−9.488
−38.207
1.00
132.69
MOL2
N


ATOM
7545
CA
THR
D
204
3.995
−9.792
−39.035
1.00
132.69
MOL2
C


ATOM
7546
CB
THR
D
204
3.553
−8.550
−39.863
1.00
134.41
MOL2
C


ATOM
7547
OG1
THR
D
204
3.013
−7.557
−38.978
1.00
133.83
MOL2
O


ATOM
7548
CG2
THR
D
204
2.495
−8.931
−40.899
1.00
132.04
MOL2
C


ATOM
7549
C
THR
D
204
4.204
−10.988
−39.964
1.00
130.56
MOL2
C


ATOM
7550
O
THR
D
204
5.324
−11.295
−40.391
1.00
130.19
MOL2
O


ATOM
7551
N
VAL
D
205
3.104
−11.668
−40.252
1.00
126.51
MOL2
N


ATOM
7552
CA
VAL
D
205
3.125
−12.827
−41.118
1.00
121.52
MOL2
C


ATOM
7553
CB
VAL
D
205
3.030
−14.114
−40.276
1.00
124.28
MOL2
C


ATOM
7554
CG1
VAL
D
205
4.268
−14.228
−39.378
1.00
121.43
MOL2
C


ATOM
7555
CG2
VAL
D
205
1.757
−14.090
−39.427
1.00
122.84
MOL2
C


ATOM
7556
C
VAL
D
205
1.945
−12.713
−42.073
1.00
117.56
MOL2
C


ATOM
7557
O
VAL
D
205
0.802
−12.528
−41.649
1.00
115.24
MOL2
O


ATOM
7558
N
THR
D
206
2.219
−12.802
−43.367
1.00
112.79
MOL2
N


ATOM
7559
CA
THR
D
206
1.141
−12.691
−44.325
1.00
111.02
MOL2
C


ATOM
7560
CB
THR
D
206
1.084
−11.265
−44.917
1.00
114.63
MOL2
C


ATOM
7561
OG1
THR
D
206
0.963
−10.313
−43.849
1.00
109.86
MOL2
O


ATOM
7562
CG2
THR
D
206
−0.111
−11.114
−45.849
1.00
113.16
MOL2
C


ATOM
7563
C
THR
D
206
1.221
−13.726
−45.435
1.00
109.15
MOL2
C


ATOM
7564
O
THR
D
206
2.305
−14.134
−45.863
1.00
108.58
MOL2
O


ATOM
7565
N
CYS
D
207
0.043
−14.156
−45.867
1.00
104.94
MOL2
N


ATOM
7566
CA
CYS
D
207
−0.124
−15.136
−46.924
1.00
103.36
MOL2
C


ATOM
7567
C
CYS
D
207
0.015
−14.415
−48.274
1.00
99.64
MOL2
C


ATOM
7568
O
CYS
D
207
−0.456
−13.294
−48.429
1.00
97.98
MOL2
O


ATOM
7569
CB
CYS
D
207
−1.517
−15.744
−46.782
1.00
105.15
MOL2
C


ATOM
7570
SG
CYS
D
207
−1.843
−17.186
−47.834
1.00
123.02
MOL2
S


ATOM
7571
N
ASN
D
208
0.659
−15.044
−49.248
1.00
97.46
MOL2
N


ATOM
7572
CA
ASN
D
208
0.831
−14.404
−50.544
1.00
97.44
MOL2
C


ATOM
7573
CB
ASN
D
208
2.301
−14.067
−50.755
1.00
105.34
MOL2
C


ATOM
7574
CG
ASN
D
208
2.936
−13.463
−49.517
1.00
111.70
MOL2
C


ATOM
7575
OD1
ASN
D
208
2.369
−12.562
−48.890
1.00
114.09
MOL2
O


ATOM
7576
ND2
ASN
D
208
4.120
−13.956
−49.157
1.00
111.26
MOL2
N


ATOM
7577
C
ASN
D
208
0.317
−15.293
−51.665
1.00
96.87
MOL2
C


ATOM
7578
O
ASN
D
208
1.089
−15.943
−52.381
1.00
99.33
MOL2
O


ATOM
7579
N
VAL
D
209
−1.004
−15.290
−51.803
1.00
90.22
MOL2
N


ATOM
7580
CA
VAL
D
209
−1.737
−16.073
−52.789
1.00
86.47
MOL2
C


ATOM
7581
CB
VAL
D
209
−3.190
−16.114
−52.361
1.00
79.39
MOL2
C


ATOM
7582
CG1
VAL
D
209
−3.849
−17.395
−52.824
1.00
82.38
MOL2
C


ATOM
7583
CG2
VAL
D
209
−3.257
−15.935
−50.859
1.00
73.42
MOL2
C


ATOM
7584
C
VAL
D
209
−1.682
−15.443
−54.179
1.00
88.23
MOL2
C


ATOM
7585
O
VAL
D
209
−1.900
−14.252
−54.306
1.00
88.62
MOL2
O


ATOM
7586
N
ALA
D
210
−1.411
−16.227
−55.219
1.00
90.91
MOL2
N


ATOM
7587
CA
ALA
D
210
−1.374
−15.670
−56.567
1.00
93.72
MOL2
C


ATOM
7588
CB
ALA
D
210
0.059
−15.320
−56.958
1.00
96.40
MOL2
C


ATOM
7589
C
ALA
D
210
−1.993
−16.637
−57.575
1.00
99.43
MOL2
C


ATOM
7590
O
ALA
D
210
−1.615
−17.815
−57.642
1.00
106.33
MOL2
O


ATOM
7591
N
HIS
D
211
−2.943
−16.125
−58.357
1.00
98.35
MOL2
N


ATOM
7592
CA
HIS
D
211
−3.667
−16.907
−59.359
1.00
98.05
MOL2
C


ATOM
7593
CB
HIS
D
211
−5.168
−16.816
−59.043
1.00
87.59
MOL2
C


ATOM
7594
CG
HIS
D
211
−6.012
−17.859
−59.714
1.00
88.25
MOL2
C


ATOM
7595
CD2
HIS
D
211
−7.155
−18.469
−59.315
1.00
87.50
MOL2
C


ATOM
7596
ND1
HIS
D
211
−5.730
−18.364
−60.965
1.00
91.95
MOL2
N


ATOM
7597
CE1
HIS
D
211
−6.660
−19.242
−61.305
1.00
89.03
MOL2
C


ATOM
7598
NE2
HIS
D
211
−7.537
−19.324
−60.321
1.00
83.10
MOL2
N


ATOM
7599
C
HIS
D
211
−3.403
−16.370
−60.779
1.00
104.17
MOL2
C


ATOM
7600
O
HIS
D
211
−4.120
−15.495
−61.253
1.00
104.17
MOL2
O


ATOM
7601
N
PRO
D
212
−2.364
−16.876
−61.468
1.00
111.35
MOL2
N


ATOM
7602
CD
PRO
D
212
−1.230
−17.666
−60.952
1.00
117.49
MOL2
C


ATOM
7603
CA
PRO
D
212
−2.080
−16.395
−62.825
1.00
115.33
MOL2
C


ATOM
7604
CB
PRO
D
212
−0.877
−17.242
−63.242
1.00
120.03
MOL2
C


ATOM
7605
CG
PRO
D
212
−0.114
−17.342
−61.952
1.00
120.33
MOL2
C


ATOM
7606
C
PRO
D
212
−3.267
−16.532
−63.777
1.00
114.41
MOL2
C


ATOM
7607
O
PRO
D
212
−3.687
−15.553
−64.393
1.00
113.77
MOL2
O


ATOM
7608
N
ALA
D
213
−3.809
−17.741
−63.885
1.00
113.04
MOL2
N


ATOM
7609
CA
ALA
D
213
−4.946
−18.001
−64.764
1.00
115.76
MOL2
C


ATOM
7610
CB
ALA
D
213
−5.530
−19.385
−64.440
1.00
115.79
MOL2
C


ATOM
7611
C
ALA
D
213
−6.041
−16.919
−64.664
1.00
115.30
MOL2
C


ATOM
7612
O
ALA
D
213
−6.790
−16.675
−65.622
1.00
117.39
MOL2
O


ATOM
7613
N
SER
D
214
−6.125
−16.272
−63.506
1.00
110.64
MOL2
N


ATOM
7614
CA
SER
D
214
−7.123
−15.234
−63.275
1.00
109.17
MOL2
C


ATOM
7615
CB
SER
D
214
−8.030
−15.629
−62.104
1.00
108.82
MOL2
C


ATOM
7616
OG
SER
D
214
−8.768
−14.523
−61.618
1.00
103.35
MOL2
O


ATOM
7617
C
SER
D
214
−6.451
−13.906
−62.976
1.00
111.11
MOL2
C


ATOM
7618
O
SER
D
214
−7.110
−12.935
−62.605
1.00
110.06
MOL2
O


ATOM
7619
N
SER
D
215
−5.133
−13.875
−63.137
1.00
114.63
MOL2
N


ATOM
7620
CA
SER
D
215
−4.337
−12.673
−62.888
1.00
118.87
MOL2
C


ATOM
7621
CB
SER
D
215
−4.591
−11.626
−63.989
1.00
120.23
MOL2
C


ATOM
7622
OG
SER
D
215
−3.463
−10.778
−64.168
1.00
116.07
MOL2
O


ATOM
7623
C
SER
D
215
−4.609
−12.067
−61.501
1.00
119.10
MOL2
C


ATOM
7624
O
SER
D
215
−4.390
−10.872
−61.277
1.00
119.46
MOL2
O


ATOM
7625
N
THR
D
216
−5.091
−12.892
−60.574
1.00
118.68
MOL2
N


ATOM
7626
CA
THR
D
216
−5.354
−12.426
−59.216
1.00
116.60
MOL2
C


ATOM
7627
CB
THR
D
216
−6.481
−13.216
−58.532
1.00
116.16
MOL2
C


ATOM
7628
OG1
THR
D
216
−7.666
−13.150
−59.335
1.00
114.80
MOL2
O


ATOM
7629
CG2
THR
D
216
−6.767
−12.635
−57.145
1.00
110.81
MOL2
C


ATOM
7630
C
THR
D
216
−4.081
−12.600
−58.397
1.00
117.22
MOL2
C


ATOM
7631
O
THR
D
216
−3.238
−13.450
−58.708
1.00
119.85
MOL2
O


ATOM
7632
N
LYS
D
217
−3.943
−11.792
−57.354
1.00
114.88
MOL2
N


ATOM
7633
CA
LYS
D
217
−2.765
−11.846
−56.497
1.00
115.84
MOL2
C


ATOM
7634
CB
LYS
D
217
−1.620
−11.055
−57.141
1.00
118.61
MOL2
C


ATOM
7635
CG
LYS
D
217
−2.046
−9.699
−57.675
1.00
123.65
MOL2
C


ATOM
7636
CD
LYS
D
217
−1.064
−9.156
−58.700
1.00
124.05
MOL2
C


ATOM
7637
CE
LYS
D
217
−1.624
−7.903
−59.354
1.00
124.41
MOL2
C


ATOM
7638
NZ
LYS
D
217
−3.007
−8.134
−59.873
1.00
119.34
MOL2
N


ATOM
7639
C
LYS
D
217
−3.108
−11.271
−55.128
1.00
113.12
MOL2
C


ATOM
7640
O
LYS
D
217
−2.713
−10.152
−54.795
1.00
108.06
MOL2
O


ATOM
7641
N
VAL
D
218
−3.840
−12.056
−54.337
1.00
112.90
MOL2
N


ATOM
7642
CA
VAL
D
218
−4.269
−11.637
−53.004
1.00
110.59
MOL2
C


ATOM
7643
CB
VAL
D
218
−5.656
−12.250
−52.645
1.00
107.90
MOL2
C


ATOM
7644
CG1
VAL
D
218
−6.068
−11.833
−51.233
1.00
100.83
MOL2
C


ATOM
7645
CG2
VAL
D
218
−6.700
−11.803
−53.664
1.00
103.53
MOL2
C


ATOM
7646
C
VAL
D
218
−3.293
−11.935
−51.863
1.00
112.13
MOL2
C


ATOM
7647
O
VAL
D
218
−2.633
−12.984
−51.833
1.00
113.22
MOL2
O


ATOM
7648
N
ASP
D
219
−3.212
−10.983
−50.934
1.00
112.43
MOL2
N


ATOM
7649
CA
ASP
D
219
−2.355
−11.072
−49.749
1.00
115.90
MOL2
C


ATOM
7650
CB
ASP
D
219
−1.429
−9.846
−49.618
1.00
124.25
MOL2
C


ATOM
7651
CG
ASP
D
219
−0.305
−9.822
−50.643
1.00
134.23
MOL2
C


ATOM
7652
OD1
ASP
D
219
0.555
−10.733
−50.624
1.00
137.14
MOL2
O


ATOM
7653
OD2
ASP
D
219
−0.275
−8.874
−51.461
1.00
140.38
MOL2
O


ATOM
7654
C
ASP
D
219
−3.289
−11.031
−48.555
1.00
113.75
MOL2
C


ATOM
7655
O
ASP
D
219
−4.150
−10.161
−48.493
1.00
112.98
MOL2
O


ATOM
7656
N
LYS
D
220
−3.125
−11.948
−47.608
1.00
114.33
MOL2
N


ATOM
7657
CA
LYS
D
220
−3.967
−11.942
−46.415
1.00
112.98
MOL2
C


ATOM
7658
CB
LYS
D
220
−4.909
−13.149
−46.405
1.00
113.88
MOL2
C


ATOM
7659
CG
LYS
D
220
−6.128
−13.003
−45.484
1.00
119.26
MOL2
C


ATOM
7660
CD
LYS
D
220
−7.269
−12.211
−46.153
1.00
124.16
MOL2
C


ATOM
7661
CE
LYS
D
220
−8.589
−12.281
−45.354
1.00
122.46
MOL2
C


ATOM
7662
NZ
LYS
D
220
−9.769
−11.697
−46.077
1.00
114.42
MOL2
N


ATOM
7663
C
LYS
D
220
−3.064
−11.980
−45.186
1.00
113.40
MOL2
C


ATOM
7664
O
LYS
D
220
−2.262
−12.901
−45.016
1.00
115.05
MOL2
O


ATOM
7665
N
LYS
D
221
−3.175
−10.962
−44.342
1.00
114.57
MOL2
N


ATOM
7666
CA
LYS
D
221
−2.372
−10.896
−43.128
1.00
116.68
MOL2
C


ATOM
7667
CB
LYS
D
221
−2.352
−9.463
−42.571
1.00
123.35
MOL2
C


ATOM
7668
CG
LYS
D
221
−1.714
−9.334
−41.178
1.00
128.89
MOL2
C


ATOM
7669
CD
LYS
D
221
−1.555
−7.875
−40.736
1.00
130.70
MOL2
C


ATOM
7670
CE
LYS
D
221
−0.842
−7.770
−39.386
1.00
131.81
MOL2
C


ATOM
7671
NZ
LYS
D
221
−0.531
−6.361
−39.001
1.00
131.94
MOL2
N


ATOM
7672
C
LYS
D
221
−2.980
−11.836
−42.095
1.00
114.90
MOL2
C


ATOM
7673
O
LYS
D
221
−4.204
−11.909
−41.964
1.00
111.76
MOL2
O


ATOM
7674
N
ILE
D
222
−2.124
−12.559
−41.376
1.00
115.97
MOL2
N


ATOM
7675
CA
ILE
D
222
−2.582
−13.491
−40.345
1.00
118.06
MOL2
C


ATOM
7676
CB
ILE
D
222
−1.621
−14.705
−40.190
1.00
121.25
MOL2
C


ATOM
7677
CG2
ILE
D
222
−1.821
−15.356
−38.823
1.00
122.94
MOL2
C


ATOM
7678
CG1
ILE
D
222
−1.895
−15.743
−41.281
1.00
121.04
MOL2
C


ATOM
7679
CD1
ILE
D
222
−3.209
−16.481
−41.092
1.00
118.43
MOL2
C


ATOM
7680
C
ILE
D
222
−2.680
−12.790
−38.998
1.00
116.34
MOL2
C


ATOM
7681
O
ILE
D
222
−1.666
−12.516
−38.352
1.00
114.18
MOL2
O


ATOM
7682
N
VAL
D
223
−3.908
−12.505
−38.578
1.00
117.55
MOL2
N


ATOM
7683
CA
VAL
D
223
−4.140
−11.830
−37.310
1.00
120.95
MOL2
C


ATOM
7684
CB
VAL
D
223
−4.933
−10.521
−37.512
1.00
128.80
MOL2
C


ATOM
7685
CG1
VAL
D
223
−4.119
−9.537
−38.358
1.00
130.83
MOL2
C


ATOM
7686
CG2
VAL
D
223
−6.279
−10.830
−38.173
1.00
132.56
MOL2
C


ATOM
7687
C
VAL
D
223
−4.918
−12.716
−36.349
1.00
118.69
MOL2
C


ATOM
7688
O
VAL
D
223
−5.879
−13.385
−36.741
1.00
115.68
MOL2
O


ATOM
7689
N
PRO
D
224
−4.515
−12.709
−35.068
1.00
118.99
MOL2
N


ATOM
7690
CD
PRO
D
224
−3.433
−11.836
−34.576
1.00
119.65
MOL2
C


ATOM
7691
CA
PRO
D
224
−5.100
−13.475
−33.963
1.00
121.19
MOL2
C


ATOM
7692
CB
PRO
D
224
−4.166
−13.156
−32.792
1.00
120.92
MOL2
C


ATOM
7693
CG
PRO
D
224
−3.721
−11.767
−33.091
1.00
119.21
MOL2
C


ATOM
7694
C
PRO
D
224
−6.550
−13.137
−33.636
1.00
124.07
MOL2
C


ATOM
7695
O
PRO
D
224
−7.150
−12.242
−34.239
1.00
122.61
MOL2
O


ATOM
7696
N
ARG
D
225
−7.095
−13.875
−32.671
1.00
130.19
MOL2
N


ATOM
7697
CA
ARG
D
225
−8.465
−13.698
−32.196
1.00
139.13
MOL2
C


ATOM
7698
CB
ARG
D
225
−9.151
−15.061
−32.026
1.00
137.87
MOL2
C


ATOM
7699
CG
ARG
D
225
−9.317
−15.887
−33.291
1.00
134.46
MOL2
C


ATOM
7700
CD
ARG
D
225
−10.057
−17.175
−32.961
1.00
134.51
MOL2
C


ATOM
7701
NE
ARG
D
225
−10.826
−17.679
−34.095
1.00
138.46
MOL2
N


ATOM
7702
CZ
ARG
D
225
−11.841
−18.534
−33.989
1.00
139.86
MOL2
C


ATOM
7703
NH1
ARG
D
225
−12.488
−18.939
−35.077
1.00
136.69
MOL2
N


ATOM
7704
NH2
ARG
D
225
−12.215
−18.981
−32.793
1.00
142.11
MOL2
N


ATOM
7705
C
ARG
D
225
−8.404
−13.006
−30.828
1.00
145.80
MOL2
C


ATOM
7706
O
ARG
D
225
−7.409
−13.143
−30.107
1.00
146.28
MOL2
O


ATOM
7707
N
ASP
D
226
−9.469
−12.290
−30.466
1.00
152.47
MOL2
N


ATOM
7708
CA
ASP
D
226
−9.529
−11.571
−29.188
1.00
158.98
MOL2
C


ATOM
7709
CB
ASP
D
226
−10.587
−10.454
−29.262
1.00
161.05
MOL2
C


ATOM
7710
CG
ASP
D
226
−10.243
−9.372
−30.288
1.00
161.69
MOL2
C


ATOM
7711
OD1
ASP
D
226
−9.174
−8.733
−30.159
1.00
160.52
MOL2
O


ATOM
7712
OD2
ASP
D
226
−11.050
−9.157
−31.220
1.00
160.76
MOL2
O


ATOM
7713
C
ASP
D
226
−9.814
−12.459
−27.963
1.00
161.54
MOL2
C


ATOM
7714
O
ASP
D
226
−8.927
−13.160
−27.469
1.00
159.48
MOL2
O


ATOM
7715
N
CYS
D
227
−11.055
−12.410
−27.475
1.00
166.54
MOL2
N


ATOM
7716
CA
CYS
D
227
−11.473
−13.187
−26.301
1.00
171.26
MOL2
C


ATOM
7717
CB
CYS
D
227
−12.784
−12.616
−25.715
1.00
173.22
MOL2
C


ATOM
7718
SG
CYS
D
227
−14.355
−13.267
−26.401
1.00
176.60
MOL2
S


ATOM
7719
C
CYS
D
227
−11.657
−14.679
−26.608
1.00
172.68
MOL2
C


ATOM
7720
O
CYS
D
227
−11.457
−15.078
−27.777
1.00
172.11
MOL2
O


ATOM
7721
OXT
CYS
D
227
−11.994
−15.439
−25.669
1.00
173.46
MOL2
O


ATOM
7722
CB
GLU
E
15
51.662
−25.120
−64.599
1.00
165.76
MOL2
C


ATOM
7723
CG
GLU
E
15
50.846
−24.875
−63.330
1.00
164.41
MOL2
C


ATOM
7724
CD
GLU
E
15
51.155
−25.879
−62.227
1.00
162.45
MOL2
C


ATOM
7725
OE1
GLU
E
15
52.286
−25.854
−61.695
1.00
160.73
MOL2
O


ATOM
7726
OE2
GLU
E
15
50.268
−26.697
−61.897
1.00
158.74
MOL2
O


ATOM
7727
C
GLU
E
15
51.943
−22.740
−65.385
1.00
163.50
MOL2
C


ATOM
7728
O
GLU
E
15
51.249
−21.928
−64.759
1.00
160.46
MOL2
O


ATOM
7729
N
GLU
E
15
52.006
−24.644
−67.006
1.00
163.87
MOL2
N


ATOM
7730
CA
GLU
E
15
51.393
−24.131
−65.743
1.00
164.49
MOL2
C


ATOM
7731
N
SER
E
16
53.188
−22.472
−65.782
1.00
162.49
MOL2
N


ATOM
7732
CA
SER
E
16
53.814
−21.180
−65.514
1.00
160.48
MOL2
C


ATOM
7733
CB
SER
E
16
54.848
−21.321
−64.390
1.00
155.37
MOL2
C


ATOM
7734
OG
SER
E
16
55.761
−22.369
−64.652
1.00
146.87
MOL2
O


ATOM
7735
C
SER
E
16
54.465
−20.572
−66.762
1.00
162.64
MOL2
C


ATOM
7736
O
SER
E
16
54.681
−19.361
−66.835
1.00
162.08
MOL2
O


ATOM
7737
N
CYS
E
17
54.764
−21.418
−67.743
1.00
165.84
MOL2
N


ATOM
7738
CA
CYS
E
17
55.385
−20.984
−68.994
1.00
169.05
MOL2
C


ATOM
7739
CB
CYS
E
17
55.466
−22.178
−69.959
1.00
170.47
MOL2
C


ATOM
7740
SG
CYS
E
17
54.361
−23.581
−69.559
1.00
170.59
MOL2
S


ATOM
7741
C
CYS
E
17
54.644
−19.813
−69.659
1.00
169.88
MOL2
C


ATOM
7742
O
CYS
E
17
53.450
−19.617
−69.426
1.00
168.81
MOL2
O


ATOM
7743
N
PRO
E
18
55.356
−19.011
−70.480
1.00
171.24
MOL2
N


ATOM
7744
CD
PRO
E
18
56.821
−19.037
−70.640
1.00
172.22
MOL2
C


ATOM
7745
CA
PRO
E
18
54.787
−17.857
−71.191
1.00
171.55
MOL2
C


ATOM
7746
CB
PRO
E
18
55.972
−17.326
−71.991
1.00
170.97
MOL2
C


ATOM
7747
CG
PRO
E
18
57.121
−17.617
−71.089
1.00
172.24
MOL2
C


ATOM
7748
C
PRO
E
18
53.626
−18.273
−72.086
1.00
172.56
MOL2
C


ATOM
7749
O
PRO
E
18
53.825
−18.782
−73.193
1.00
172.11
MOL2
O


ATOM
7750
N
PRO
E
19
52.393
−18.047
−71.612
1.00
174.22
MOL2
N


ATOM
7751
CD
PRO
E
19
52.130
−17.333
−70.347
1.00
174.01
MOL2
C


ATOM
7752
CA
PRO
E
19
51.134
−18.369
−72.290
1.00
176.12
MOL2
C


ATOM
7753
CB
PRO
E
19
50.105
−17.576
−71.482
1.00
175.32
MOL2
C


ATOM
7754
CG
PRO
E
19
50.666
−17.640
−70.096
1.00
173.61
MOL2
C


ATOM
7755
C
PRO
E
19
51.048
−18.080
−73.795
1.00
177.67
MOL2
C


ATOM
7756
O
PRO
E
19
51.959
−17.505
−74.403
1.00
176.41
MOL2
O


ATOM
7757
N
VAL
E
20
49.928
−18.506
−74.377
1.00
178.75
MOL2
N


ATOM
7758
CA
VAL
E
20
49.634
−18.333
−75.795
1.00
178.94
MOL2
C


ATOM
7759
CB
VAL
E
20
49.264
−19.683
−76.448
1.00
177.15
MOL2
C


ATOM
7760
CG1
VAL
E
20
50.459
−20.621
−76.422
1.00
175.05
MOL2
C


ATOM
7761
CG2
VAL
E
20
48.081
−20.303
−75.712
1.00
174.69
MOL2
C


ATOM
7762
C
VAL
E
20
48.434
−17.392
−75.915
1.00
180.62
MOL2
C


ATOM
7763
O
VAL
E
20
47.744
−17.133
−74.926
1.00
179.57
MOL2
O


ATOM
7764
N
PRO
E
21
48.164
−16.877
−77.129
1.00
182.24
MOL2
N


ATOM
7765
CD
PRO
E
21
48.847
−17.196
−78.399
1.00
182.86
MOL2
C


ATOM
7766
CA
PRO
E
21
47.038
−15.963
−77.362
1.00
182.34
MOL2
C


ATOM
7767
CB
PRO
E
21
46.858
−16.030
−78.878
1.00
182.71
MOL2
C


ATOM
7768
CG
PRO
E
21
48.270
−16.164
−79.359
1.00
182.86
MOL2
C


ATOM
7769
C
PRO
E
21
45.758
−16.336
−76.602
1.00
181.69
MOL2
C


ATOM
7770
O
PRO
E
21
45.037
−15.459
−76.114
1.00
181.15
MOL2
O


ATOM
7771
N
GLY
E
22
45.476
−17.634
−76.507
1.00
180.67
MOL2
N


ATOM
7772
CA
GLY
E
22
44.287
−18.075
−75.797
1.00
179.02
MOL2
C


ATOM
7773
C
GLY
E
22
43.492
−19.189
−76.460
1.00
176.89
MOL2
C


ATOM
7774
O
GLY
E
22
43.083
−19.075
−77.618
1.00
176.38
MOL2
O


ATOM
7775
N
GLY
E
23
43.271
−20.269
−75.715
1.00
174.14
MOL2
N


ATOM
7776
CA
GLY
E
23
42.512
−21.395
−76.231
1.00
169.82
MOL2
C


ATOM
7777
C
GLY
E
23
43.125
−22.093
−77.431
1.00
166.75
MOL2
C


ATOM
7778
O
GLY
E
23
42.496
−22.190
−78.484
1.00
167.74
MOL2
O


ATOM
7779
N
SER
E
24
44.352
−22.580
−77.276
1.00
162.62
MOL2
N


ATOM
7780
CA
SER
E
24
45.051
−23.287
−78.349
1.00
157.52
MOL2
C


ATOM
7781
CB
SER
E
24
45.517
−22.311
−79.438
1.00
156.73
MOL2
C


ATOM
7782
OG
SER
E
24
44.455
−21.948
−80.306
1.00
153.24
MOL2
O


ATOM
7783
C
SER
E
24
46.252
−24.052
−77.802
1.00
154.76
MOL2
C


ATOM
7784
O
SER
E
24
46.885
−23.619
−76.839
1.00
156.52
MOL2
O


ATOM
7785
N
MET
E
25
46.555
−25.189
−78.425
1.00
149.50
MOL2
N


ATOM
7786
CA
MET
E
25
47.674
−26.038
−78.017
1.00
143.87
MOL2
C


ATOM
7787
CB
MET
E
25
47.157
−27.224
−77.198
1.00
144.07
MOL2
C


ATOM
7788
CG
MET
E
25
46.428
−26.844
−75.912
1.00
147.06
MOL2
C


ATOM
7789
SD
MET
E
25
47.499
−26.726
−74.455
1.00
149.22
MOL2
S


ATOM
7790
CE
MET
E
25
46.918
−28.149
−73.463
1.00
146.97
MOL2
C


ATOM
7791
C
MET
E
25
48.413
−26.562
−79.248
1.00
140.29
MOL2
C


ATOM
7792
O
MET
E
25
47.906
−26.485
−80.367
1.00
138.37
MOL2
O


ATOM
7793
N
LYS
E
26
49.607
−27.106
−79.037
1.00
137.30
MOL2
N


ATOM
7794
CA
LYS
E
26
50.398
−27.635
−80.142
1.00
134.87
MOL2
C


ATOM
7795
CB
LYS
E
26
51.885
−27.670
−79.765
1.00
139.86
MOL2
C


ATOM
7796
CG
LYS
E
26
52.739
−26.527
−80.345
1.00
144.54
MOL2
C


ATOM
7797
CD
LYS
E
26
52.323
−25.143
−79.831
1.00
148.51
MOL2
C


ATOM
7798
CE
LYS
E
26
51.285
−24.461
−80.732
1.00
150.28
MOL2
C


ATOM
7799
NZ
LYS
E
26
51.826
−24.051
−82.065
1.00
147.62
MOL2
N


ATOM
7800
C
LYS
E
26
49.954
−29.022
−80.606
1.00
129.54
MOL2
C


ATOM
7801
O
LYS
E
26
50.030
−29.998
−79.861
1.00
126.97
MOL2
O


ATOM
7802
N
LEU
E
27
49.483
−29.097
−81.846
1.00
124.85
MOL2
N


ATOM
7803
CA
LEU
E
27
49.060
−30.365
−82.423
1.00
120.35
MOL2
C


ATOM
7804
CB
LEU
E
27
47.589
−30.328
−82.829
1.00
116.49
MOL2
C


ATOM
7805
CG
LEU
E
27
47.133
−31.589
−83.575
1.00
112.14
MOL2
C


ATOM
7806
CD1
LEU
E
27
47.115
−32.755
−82.613
1.00
110.03
MOL2
C


ATOM
7807
CD2
LEU
E
27
45.759
−31.385
−84.188
1.00
106.67
MOL2
C


ATOM
7808
C
LEU
E
27
49.906
−30.661
−83.652
1.00
121.58
MOL2
C


ATOM
7809
O
LEU
E
27
49.665
−30.120
−84.729
1.00
120.63
MOL2
O


ATOM
7810
N
ASP
E
28
50.902
−31.521
−83.483
1.00
124.70
MOL2
N


ATOM
7811
CA
ASP
E
28
51.780
−31.887
−84.584
1.00
128.71
MOL2
C


ATOM
7812
CB
ASP
E
28
52.836
−32.900
−84.130
1.00
133.78
MOL2
C


ATOM
7813
CG
ASP
E
28
53.636
−32.421
−82.934
1.00
140.19
MOL2
C


ATOM
7814
OD1
ASP
E
28
54.226
−31.320
−83.006
1.00
144.46
MOL2
O


ATOM
7815
OD2
ASP
E
28
53.681
−33.154
−81.920
1.00
141.62
MOL2
O


ATOM
7816
C
ASP
E
28
50.985
−32.497
−85.726
1.00
130.05
MOL2
C


ATOM
7817
O
ASP
E
28
50.007
−33.216
−85.516
1.00
128.49
MOL2
O


ATOM
7818
N
ILE
E
29
51.417
−32.202
−86.942
1.00
133.66
MOL2
N


ATOM
7819
CA
ILE
E
29
50.776
−32.729
−88.133
1.00
135.62
MOL2
C


ATOM
7820
CB
ILE
E
29
51.201
−31.912
−89.369
1.00
138.97
MOL2
C


ATOM
7821
CG2
ILE
E
29
50.452
−30.583
−89.395
1.00
136.61
MOL2
C


ATOM
7822
CG1
ILE
E
29
52.719
−31.683
−89.338
1.00
139.95
MOL2
C


ATOM
7823
CD1
ILE
E
29
53.226
−30.690
−90.368
1.00
139.38
MOL2
C


ATOM
7824
C
ILE
E
29
51.207
−34.186
−88.286
1.00
134.73
MOL2
C


ATOM
7825
O
ILE
E
29
52.165
−34.626
−87.644
1.00
136.22
MOL2
O


ATOM
7826
N
GLY
E
30
50.499
−34.934
−89.124
1.00
131.08
MOL2
N


ATOM
7827
CA
GLY
E
30
50.846
−36.329
−89.314
1.00
127.61
MOL2
C


ATOM
7828
C
GLY
E
30
50.227
−37.232
−88.261
1.00
124.18
MOL2
C


ATOM
7829
O
GLY
E
30
50.530
−37.129
−87.066
1.00
121.16
MOL2
O


ATOM
7830
N
ILE
E
31
49.349
−38.123
−88.710
1.00
120.51
MOL2
N


ATOM
7831
CA
ILE
E
31
48.679
−39.055
−87.816
1.00
112.52
MOL2
C


ATOM
7832
CB
ILE
E
31
47.232
−39.338
−88.257
1.00
108.57
MOL2
C


ATOM
7833
CG2
ILE
E
31
46.681
−40.502
−87.476
1.00
106.81
MOL2
C


ATOM
7834
CG1
ILE
E
31
46.355
−38.106
−88.042
1.00
109.85
MOL2
C


ATOM
7835
CD1
ILE
E
31
46.629
−36.976
−89.010
1.00
115.80
MOL2
C


ATOM
7836
C
ILE
E
31
49.420
−40.376
−87.778
1.00
110.19
MOL2
C


ATOM
7837
O
ILE
E
31
49.772
−40.932
−88.815
1.00
113.42
MOL2
O


ATOM
7838
N
ILE
E
32
49.654
−40.873
−86.574
1.00
108.04
MOL2
N


ATOM
7839
CA
ILE
E
32
50.344
−42.140
−86.374
1.00
107.81
MOL2
C


ATOM
7840
CB
ILE
E
32
50.661
−42.340
−84.890
1.00
98.99
MOL2
C


ATOM
7841
CG2
ILE
E
32
50.986
−43.783
−84.619
1.00
96.09
MOL2
C


ATOM
7842
CG1
ILE
E
32
51.796
−41.407
−84.480
1.00
95.71
MOL2
C


ATOM
7843
CD1
ILE
E
32
52.151
−41.478
−83.021
1.00
98.06
MOL2
C


ATOM
7844
C
ILE
E
32
49.505
−43.326
−86.851
1.00
112.29
MOL2
C


ATOM
7845
O
ILE
E
32
48.386
−43.512
−86.391
1.00
115.51
MOL2
O


ATOM
7846
N
ASN
E
33
50.052
−44.121
−87.766
1.00
117.06
MOL2
N


ATOM
7847
CA
ASN
E
33
49.363
−45.295
−88.304
1.00
122.38
MOL2
C


ATOM
7848
CB
ASN
E
33
48.759
−46.133
−87.177
1.00
118.52
MOL2
C


ATOM
7849
CG
ASN
E
33
49.795
−46.927
−86.418
1.00
119.07
MOL2
C


ATOM
7850
OD1
ASN
E
33
50.413
−47.841
−86.961
1.00
119.36
MOL2
O


ATOM
7851
ND2
ASN
E
33
49.993
−46.584
−85.150
1.00
121.47
MOL2
N


ATOM
7852
C
ASN
E
33
48.262
−44.968
−89.299
1.00
128.50
MOL2
C


ATOM
7853
O
ASN
E
33
47.304
−45.727
−89.428
1.00
132.14
MOL2
O


ATOM
7854
N
GLU
E
34
48.402
−43.855
−90.013
1.00
134.94
MOL2
N


ATOM
7855
CA
GLU
E
34
47.396
−43.438
−90.991
1.00
141.44
MOL2
C


ATOM
7856
CB
GLU
E
34
47.833
−42.128
−91.670
1.00
139.56
MOL2
C


ATOM
7857
CG
GLU
E
34
46.690
−41.309
−92.283
1.00
136.65
MOL2
C


ATOM
7858
CD
GLU
E
34
47.143
−39.952
−92.820
1.00
134.53
MOL2
C


ATOM
7859
OE1
GLU
E
34
47.775
−39.183
−92.060
1.00
129.99
MOL2
O


ATOM
7860
OE2
GLU
E
34
46.858
−39.652
−94.003
1.00
133.64
MOL2
O


ATOM
7861
C
GLU
E
34
47.168
−44.525
−92.042
1.00
146.34
MOL2
C


ATOM
7862
O
GLU
E
34
46.245
−44.440
−92.852
1.00
146.31
MOL2
O


ATOM
7863
N
ASN
E
35
48.008
−45.554
−92.003
1.00
153.14
MOL2
N


ATOM
7864
CA
ASN
E
35
47.939
−46.663
−92.947
1.00
159.76
MOL2
C


ATOM
7865
CB
ASN
E
35
49.347
−47.222
−93.180
1.00
164.22
MOL2
C


ATOM
7866
CG
ASN
E
35
50.070
−47.551
−91.880
1.00
167.00
MOL2
C


ATOM
7867
OD1
ASN
E
35
50.435
−46.656
−91.116
1.00
168.89
MOL2
O


ATOM
7868
ND2
ASN
E
35
50.275
−48.841
−91.623
1.00
167.83
MOL2
N


ATOM
7869
C
ASN
E
35
47.005
−47.811
−92.551
1.00
160.59
MOL2
C


ATOM
7870
O
ASN
E
35
46.604
−48.605
−93.404
1.00
163.30
MOL2
O


ATOM
7871
N
GLN
E
36
46.666
−47.916
−91.271
1.00
159.41
MOL2
N


ATOM
7872
CA
GLN
E
36
45.784
−48.993
−90.842
1.00
159.83
MOL2
C


ATOM
7873
CB
GLN
E
36
45.512
−48.899
−89.339
1.00
152.95
MOL2
C


ATOM
7874
CG
GLN
E
36
46.776
−49.016
−88.494
1.00
141.32
MOL2
C


ATOM
7875
CD
GLN
E
36
46.548
−49.745
−87.184
1.00
132.84
MOL2
C


ATOM
7876
OE1
GLN
E
36
46.144
−50.905
−87.172
1.00
127.00
MOL2
O


ATOM
7877
NE2
GLN
E
36
46.814
−49.070
−86.075
1.00
129.59
MOL2
N


ATOM
7878
C
GLN
E
36
44.485
−48.951
−91.642
1.00
165.05
MOL2
C


ATOM
7879
O
GLN
E
36
43.716
−47.989
−91.557
1.00
165.30
MOL2
O


ATOM
7880
N
ARG
E
37
44.259
−50.004
−92.428
1.00
169.69
MOL2
N


ATOM
7881
CA
ARG
E
37
43.080
−50.105
−93.287
1.00
173.53
MOL2
C


ATOM
7882
CB
ARG
E
37
43.319
−51.146
−94.398
1.00
172.93
MOL2
C


ATOM
7883
CG
ARG
E
37
42.164
−51.309
−95.410
1.00
171.95
MOL2
C


ATOM
7884
CD
ARG
E
37
42.470
−52.411
−96.442
1.00
169.85
MOL2
C


ATOM
7885
NE
ARG
E
37
41.321
−52.815
−97.266
1.00
167.65
MOL2
N


ATOM
7886
CZ
ARG
E
37
40.895
−52.178
−98.357
1.00
165.79
MOL2
C


ATOM
7887
NH1
ARG
E
37
41.516
−51.086
−98.778
1.00
166.96
MOL2
N


ATOM
7888
NH2
ARG
E
37
39.852
−52.643
−99.041
1.00
159.83
MOL2
N


ATOM
7889
C
ARG
E
37
41.790
−50.436
−92.542
1.00
175.83
MOL2
C


ATOM
7890
O
ARG
E
37
41.790
−51.190
−91.566
1.00
174.15
MOL2
O


ATOM
7891
N
VAL
E
38
40.695
−49.856
−93.031
1.00
179.53
MOL2
N


ATOM
7892
CA
VAL
E
38
39.364
−50.045
−92.462
1.00
181.52
MOL2
C


ATOM
7893
CB
VAL
E
38
38.281
−49.336
−93.332
1.00
182.97
MOL2
C


ATOM
7894
CG1
VAL
E
38
36.956
−49.274
−92.577
1.00
183.06
MOL2
C


ATOM
7895
CG2
VAL
E
38
38.751
−47.934
−93.725
1.00
182.19
MOL2
C


ATOM
7896
C
VAL
E
38
39.023
−51.533
−92.366
1.00
180.77
MOL2
C


ATOM
7897
O
VAL
E
38
38.405
−52.099
−93.270
1.00
180.76
MOL2
O


ATOM
7898
N
SER
E
39
39.432
−52.164
−91.268
1.00
178.92
MOL2
N


ATOM
7899
CA
SER
E
39
39.163
−53.582
−91.066
1.00
177.53
MOL2
C


ATOM
7900
CB
SER
E
39
39.867
−54.092
−89.809
1.00
178.45
MOL2
C


ATOM
7901
OG
SER
E
39
39.526
−55.447
−89.561
1.00
177.85
MOL2
O


ATOM
7902
C
SER
E
39
37.667
−53.835
−90.937
1.00
176.25
MOL2
C


ATOM
7903
O
SER
E
39
37.117
−53.823
−89.834
1.00
175.39
MOL2
O


ATOM
7904
N
MET
E
40
37.020
−54.070
−92.074
1.00
174.10
MOL2
N


ATOM
7905
CA
MET
E
40
35.584
−54.322
−92.117
1.00
168.67
MOL2
C


ATOM
7906
CB
MET
E
40
34.868
−53.068
−92.635
1.00
167.61
MOL2
C


ATOM
7907
CG
MET
E
40
33.356
−53.067
−92.501
1.00
164.71
MOL2
C


ATOM
7908
SD
MET
E
40
32.661
−51.506
−93.099
1.00
158.86
MOL2
S


ATOM
7909
CE
MET
E
40
33.038
−50.424
−91.726
1.00
156.43
MOL2
C


ATOM
7910
C
MET
E
40
35.309
−55.508
−93.044
1.00
164.36
MOL2
C


ATOM
7911
O
MET
E
40
34.901
−55.318
−94.193
1.00
163.95
MOL2
O


ATOM
7912
N
SER
E
41
35.556
−56.722
−92.554
1.00
156.89
MOL2
N


ATOM
7913
CA
SER
E
41
35.316
−57.914
−93.356
1.00
150.06
MOL2
C


ATOM
7914
CB
SER
E
41
35.521
−59.183
−92.528
1.00
150.16
MOL2
C


ATOM
7915
OG
SER
E
41
35.292
−60.342
−93.315
1.00
149.67
MOL2
O


ATOM
7916
C
SER
E
41
33.875
−57.821
−93.826
1.00
146.92
MOL2
C


ATOM
7917
O
SER
E
41
32.944
−58.146
−93.092
1.00
147.48
MOL2
O


ATOM
7918
N
ARG
E
42
33.699
−57.359
−95.057
1.00
142.70
MOL2
N


ATOM
7919
CA
ARG
E
42
32.371
−57.178
−95.620
1.00
136.00
MOL2
C


ATOM
7920
CB
ARG
E
42
32.482
−56.781
−97.096
1.00
134.72
MOL2
C


ATOM
7921
CG
ARG
E
42
33.169
−55.432
−97.297
1.00
136.79
MOL2
C


ATOM
7922
CD
ARG
E
42
33.201
−55.032
−98.763
1.00
143.02
MOL2
C


ATOM
7923
NE
ARG
E
42
33.765
−53.698
−98.969
1.00
146.55
MOL2
N


ATOM
7924
CZ
ARG
E
42
33.867
−53.103
−100.157
1.00
148.75
MOL2
C


ATOM
7925
NH1
ARG
E
42
33.442
−53.721
−101.253
1.00
148.61
MOL2
N


ATOM
7926
NH2
ARG
E
42
34.393
−51.887
−100.251
1.00
147.55
MOL2
N


ATOM
7927
C
ARG
E
42
31.409
−58.351
−95.450
1.00
130.16
MOL2
C


ATOM
7928
O
ARG
E
42
31.809
−59.513
−95.312
1.00
126.81
MOL2
O


ATOM
7929
N
ASN
E
43
30.128
−57.995
−95.431
1.00
124.14
MOL2
N


ATOM
7930
CA
ASN
E
43
29.007
−58.916
−95.297
1.00
115.62
MOL2
C


ATOM
7931
CB
ASN
E
43
28.922
−59.817
−96.534
1.00
119.35
MOL2
C


ATOM
7932
CG
ASN
E
43
28.530
−59.042
−97.791
1.00
122.58
MOL2
C


ATOM
7933
OD1
ASN
E
43
29.253
−58.141
−98.232
1.00
121.38
MOL2
O


ATOM
7934
ND2
ASN
E
43
27.379
−59.388
−98.368
1.00
121.45
MOL2
N


ATOM
7935
C
ASN
E
43
28.878
−59.759
−94.029
1.00
106.29
MOL2
C


ATOM
7936
O
ASN
E
43
27.872
−60.455
−93.867
1.00
105.11
MOL2
O


ATOM
7937
N
ILE
E
44
29.851
−59.705
−93.120
1.00
92.85
MOL2
N


ATOM
7938
CA
ILE
E
44
29.698
−60.503
−91.909
1.00
80.61
MOL2
C


ATOM
7939
CB
ILE
E
44
30.965
−60.545
−91.049
1.00
73.95
MOL2
C


ATOM
7940
CG2
ILE
E
44
32.186
−60.582
−91.942
1.00
83.11
MOL2
C


ATOM
7941
CG1
ILE
E
44
31.001
−59.360
−90.100
1.00
61.18
MOL2
C


ATOM
7942
CD1
ILE
E
44
32.077
−59.492
−89.073
1.00
44.22
MOL2
C


ATOM
7943
C
ILE
E
44
28.576
−59.893
−91.099
1.00
75.70
MOL2
C


ATOM
7944
O
ILE
E
44
28.028
−60.518
−90.203
1.00
72.48
MOL2
O


ATOM
7945
N
GLU
E
45
28.233
−58.658
−91.431
1.00
73.35
MOL2
N


ATOM
7946
CA
GLU
E
45
27.153
−57.979
−90.750
1.00
72.10
MOL2
C


ATOM
7947
CB
GLU
E
45
27.115
−56.515
−91.191
1.00
71.82
MOL2
C


ATOM
7948
CG
GLU
E
45
27.688
−56.282
−92.573
1.00
72.25
MOL2
C


ATOM
7949
CD
GLU
E
45
26.624
−56.339
−93.639
1.00
78.46
MOL2
C


ATOM
7950
OE1
GLU
E
45
25.671
−57.128
−93.465
1.00
84.47
MOL2
O


ATOM
7951
OE2
GLU
E
45
26.738
−55.607
−94.650
1.00
80.02
MOL2
O


ATOM
7952
C
GLU
E
45
25.858
−58.706
−91.088
1.00
72.10
MOL2
C


ATOM
7953
O
GLU
E
45
24.812
−58.465
−90.485
1.00
76.04
MOL2
O


ATOM
7954
N
SER
E
46
25.938
−59.624
−92.042
1.00
70.43
MOL2
N


ATOM
7955
CA
SER
E
46
24.763
−60.368
−92.441
1.00
70.92
MOL2
C


ATOM
7956
CB
SER
E
46
24.453
−60.116
−93.901
1.00
70.73
MOL2
C


ATOM
7957
OG
SER
E
46
23.185
−60.661
−94.198
1.00
83.10
MOL2
O


ATOM
7958
C
SER
E
46
24.912
−61.859
−92.215
1.00
70.22
MOL2
C


ATOM
7959
O
SER
E
46
23.942
−62.609
−92.324
1.00
73.24
MOL2
O


ATOM
7960
N
ARG
E
47
26.129
−62.288
−91.908
1.00
67.88
MOL2
N


ATOM
7961
CA
ARG
E
47
26.399
−63.700
−91.651
1.00
65.71
MOL2
C


ATOM
7962
CB
ARG
E
47
27.822
−64.065
−92.117
1.00
67.97
MOL2
C


ATOM
7963
CG
ARG
E
47
28.027
−64.302
−93.629
1.00
66.34
MOL2
C


ATOM
7964
CD
ARG
E
47
29.511
−64.178
−94.016
1.00
61.33
MOL2
C


ATOM
7965
NE
ARG
E
47
30.383
−64.894
−93.081
1.00
71.70
MOL2
N


ATOM
7966
CZ
ARG
E
47
31.634
−64.538
−92.769
1.00
75.39
MOL2
C


ATOM
7967
NH1
ARG
E
47
32.195
−63.462
−93.314
1.00
70.80
MOL2
N


ATOM
7968
NH2
ARG
E
47
32.326
−65.254
−91.888
1.00
77.23
MOL2
N


ATOM
7969
C
ARG
E
47
26.257
−63.997
−90.148
1.00
65.68
MOL2
C


ATOM
7970
O
ARG
E
47
26.263
−65.151
−89.736
1.00
68.35
MOL2
O


ATOM
7971
N
SER
E
48
26.129
−62.957
−89.331
1.00
60.86
MOL2
N


ATOM
7972
CA
SER
E
48
26.007
−63.144
−87.891
1.00
57.17
MOL2
C


ATOM
7973
CB
SER
E
48
26.350
−61.844
−87.162
1.00
56.06
MOL2
C


ATOM
7974
OG
SER
E
48
26.119
−61.967
−85.767
1.00
56.81
MOL2
O


ATOM
7975
C
SER
E
48
24.615
−63.601
−87.468
1.00
58.73
MOL2
C


ATOM
7976
O
SER
E
48
23.625
−63.316
−88.141
1.00
57.30
MOL2
O


ATOM
7977
N
THR
E
49
24.544
−64.320
−86.351
1.00
58.32
MOL2
N


ATOM
7978
CA
THR
E
49
23.261
−64.780
−85.845
1.00
55.76
MOL2
C


ATOM
7979
CB
THR
E
49
23.404
−65.832
−84.720
1.00
60.87
MOL2
C


ATOM
7980
OG1
THR
E
49
24.360
−65.388
−83.753
1.00
66.62
MOL2
O


ATOM
7981
CG2
THR
E
49
23.839
−67.162
−85.286
1.00
63.93
MOL2
C


ATOM
7982
C
THR
E
49
22.517
−63.577
−85.300
1.00
53.59
MOL2
C


ATOM
7983
O
THR
E
49
21.354
−63.666
−84.952
1.00
58.38
MOL2
O


ATOM
7984
N
SER
E
50
23.212
−62.451
−85.223
1.00
54.20
MOL2
N


ATOM
7985
CA
SER
E
50
22.642
−61.199
−84.745
1.00
51.98
MOL2
C


ATOM
7986
CB
SER
E
50
23.176
−60.870
−83.343
1.00
60.19
MOL2
C


ATOM
7987
OG
SER
E
50
24.595
−60.942
−83.265
1.00
60.82
MOL2
O


ATOM
7988
C
SER
E
50
23.083
−60.142
−85.745
1.00
49.67
MOL2
C


ATOM
7989
O
SER
E
50
23.962
−59.337
−85.464
1.00
51.17
MOL2
O


ATOM
7990
N
PRO
E
51
22.484
−60.159
−86.943
1.00
47.99
MOL2
N


ATOM
7991
CD
PRO
E
51
21.442
−61.162
−87.202
1.00
45.73
MOL2
C


ATOM
7992
CA
PRO
E
51
22.679
−59.294
−88.118
1.00
43.36
MOL2
C


ATOM
7993
CB
PRO
E
51
21.665
−59.830
−89.109
1.00
47.50
MOL2
C


ATOM
7994
CG
PRO
E
51
21.491
−61.266
−88.687
1.00
51.77
MOL2
C


ATOM
7995
C
PRO
E
51
22.459
−57.819
−87.834
1.00
43.28
MOL2
C


ATOM
7996
O
PRO
E
51
21.758
−57.451
−86.902
1.00
50.95
MOL2
O


ATOM
7997
N
TRP
E
52
23.028
−56.967
−88.660
1.00
41.57
MOL2
N


ATOM
7998
CA
TRP
E
52
22.905
−55.546
−88.411
1.00
50.00
MOL2
C


ATOM
7999
CB
TRP
E
52
23.895
−55.159
−87.320
1.00
47.15
MOL2
C


ATOM
8000
CG
TRP
E
52
25.353
−55.231
−87.744
1.00
45.30
MOL2
C


ATOM
8001
CD2
TRP
E
52
26.308
−56.259
−87.418
1.00
42.68
MOL2
C


ATOM
8002
CE2
TRP
E
52
27.551
−55.853
−87.930
1.00
41.16
MOL2
C


ATOM
8003
CE3
TRP
E
52
26.230
−57.475
−86.740
1.00
44.00
MOL2
C


ATOM
8004
CD1
TRP
E
52
26.043
−54.285
−88.436
1.00
46.32
MOL2
C


ATOM
8005
NE1
TRP
E
52
27.365
−54.646
−88.548
1.00
47.01
MOL2
N


ATOM
8006
CZ2
TRP
E
52
28.704
−56.614
−87.782
1.00
33.73
MOL2
C


ATOM
8007
CZ3
TRP
E
52
27.383
−58.230
−86.596
1.00
44.70
MOL2
C


ATOM
8008
CH2
TRP
E
52
28.601
−57.794
−87.114
1.00
37.12
MOL2
C


ATOM
8009
C
TRP
E
52
23.189
−54.735
−89.665
1.00
58.16
MOL2
C


ATOM
8010
O
TRP
E
52
24.000
−55.148
−90.501
1.00
62.69
MOL2
O


ATOM
8011
N
ASN
E
53
22.536
−53.579
−89.788
1.00
59.20
MOL2
N


ATOM
8012
CA
ASN
E
53
22.713
−52.713
−90.946
1.00
60.83
MOL2
C


ATOM
8013
CB
ASN
E
53
21.368
−52.103
−91.331
1.00
70.19
MOL2
C


ATOM
8014
CG
ASN
E
53
20.325
−53.167
−91.687
1.00
83.70
MOL2
C


ATOM
8015
OD1
ASN
E
53
19.115
−52.957
−91.522
1.00
91.13
MOL2
O


ATOM
8016
ND2
ASN
E
53
20.792
−54.313
−92.188
1.00
82.23
MOL2
N


ATOM
8017
C
ASN
E
53
23.725
−51.629
−90.615
1.00
61.28
MOL2
C


ATOM
8018
O
ASN
E
53
24.013
−51.374
−89.444
1.00
64.11
MOL2
O


ATOM
8019
N
TYR
E
54
24.280
−51.016
−91.654
1.00
58.86
MOL2
N


ATOM
8020
CA
TYR
E
54
25.268
−49.960
−91.501
1.00
61.22
MOL2
C


ATOM
8021
CB
TYR
E
54
26.493
−50.254
−92.369
1.00
67.26
MOL2
C


ATOM
8022
CG
TYR
E
54
27.529
−51.169
−91.755
1.00
84.17
MOL2
C


ATOM
8023
CD1
TYR
E
54
28.531
−51.732
−92.538
1.00
94.87
MOL2
C


ATOM
8024
CE1
TYR
E
54
29.520
−52.546
−91.971
1.00
101.40
MOL2
C


ATOM
8025
CD2
TYR
E
54
27.539
−51.441
−90.389
1.00
91.15
MOL2
C


ATOM
8026
CE2
TYR
E
54
28.525
−52.252
−89.814
1.00
92.49
MOL2
C


ATOM
8027
CZ
TYR
E
54
29.509
−52.799
−90.610
1.00
96.52
MOL2
C


ATOM
8028
OH
TYR
E
54
30.487
−53.596
−90.056
1.00
102.91
MOL2
O


ATOM
8029
C
TYR
E
54
24.622
−48.680
−91.993
1.00
63.34
MOL2
C


ATOM
8030
O
TYR
E
54
23.662
−48.721
−92.755
1.00
66.67
MOL2
O


ATOM
8031
N
THR
E
55
25.140
−47.542
−91.560
1.00
64.79
MOL2
N


ATOM
8032
CA
THR
E
55
24.613
−46.264
−92.004
1.00
61.47
MOL2
C


ATOM
8033
CB
THR
E
55
23.485
−45.757
−91.107
1.00
61.61
MOL2
C


ATOM
8034
OG1
THR
E
55
23.001
−46.822
−90.274
1.00
63.86
MOL2
O


ATOM
8035
CG2
THR
E
55
22.352
−45.240
−91.970
1.00
64.48
MOL2
C


ATOM
8036
C
THR
E
55
25.792
−45.324
−91.926
1.00
63.76
MOL2
C


ATOM
8037
O
THR
E
55
26.353
−45.105
−90.851
1.00
70.50
MOL2
O


ATOM
8038
N
VAL
E
56
26.177
−44.774
−93.068
1.00
61.24
MOL2
N


ATOM
8039
CA
VAL
E
56
27.331
−43.899
−93.110
1.00
63.31
MOL2
C


ATOM
8040
CB
VAL
E
56
28.201
−44.233
−94.312
1.00
62.79
MOL2
C


ATOM
8041
CG1
VAL
E
56
29.659
−44.194
−93.907
1.00
70.35
MOL2
C


ATOM
8042
CG2
VAL
E
56
27.818
−45.592
−94.866
1.00
59.65
MOL2
C


ATOM
8043
C
VAL
E
56
27.000
−42.427
−93.164
1.00
63.17
MOL2
C


ATOM
8044
O
VAL
E
56
26.024
−42.020
−93.786
1.00
72.43
MOL2
O


ATOM
8045
N
THR
E
57
27.833
−41.629
−92.521
1.00
58.69
MOL2
N


ATOM
8046
CA
THR
E
57
27.626
−40.201
−92.499
1.00
63.82
MOL2
C


ATOM
8047
CB
THR
E
57
27.309
−39.733
−91.056
1.00
67.38
MOL2
C


ATOM
8048
OG1
THR
E
57
28.520
−39.593
−90.290
1.00
63.97
MOL2
O


ATOM
8049
CG2
THR
E
57
26.404
−40.776
−90.374
1.00
65.24
MOL2
C


ATOM
8050
C
THR
E
57
28.934
−39.622
−92.990
1.00
62.36
MOL2
C


ATOM
8051
O
THR
E
57
29.990
−40.123
−92.640
1.00
58.52
MOL2
O


ATOM
8052
N
TRP
E
58
28.871
−38.589
−93.819
1.00
62.62
MOL2
N


ATOM
8053
CA
TRP
E
58
30.092
−37.987
−94.332
1.00
58.98
MOL2
C


ATOM
8054
CB
TRP
E
58
30.190
−38.250
−95.846
1.00
59.77
MOL2
C


ATOM
8055
CG
TRP
E
58
31.457
−37.738
−96.444
1.00
64.58
MOL2
C


ATOM
8056
CD2
TRP
E
58
31.589
−36.681
−97.400
1.00
65.84
MOL2
C


ATOM
8057
CE2
TRP
E
58
32.965
−36.450
−97.576
1.00
63.71
MOL2
C


ATOM
8058
CE3
TRP
E
58
30.676
−35.903
−98.120
1.00
68.04
MOL2
C


ATOM
8059
CD1
TRP
E
58
32.727
−38.103
−96.104
1.00
62.50
MOL2
C


ATOM
8060
NE1
TRP
E
58
33.637
−37.335
−96.775
1.00
61.01
MOL2
N


ATOM
8061
CZ2
TRP
E
58
33.452
−35.472
−98.437
1.00
61.12
MOL2
C


ATOM
8062
CZ3
TRP
E
58
31.160
−34.935
−98.974
1.00
64.62
MOL2
C


ATOM
8063
CH2
TRP
E
58
32.537
−34.727
−99.124
1.00
63.57
MOL2
C


ATOM
8064
C
TRP
E
58
30.141
−36.490
−94.028
1.00
56.58
MOL2
C


ATOM
8065
O
TRP
E
58
29.213
−35.754
−94.348
1.00
63.01
MOL2
O


ATOM
8066
N
ASP
E
59
31.219
−36.043
−93.401
1.00
50.44
MOL2
N


ATOM
8067
CA
ASP
E
59
31.363
−34.635
−93.050
1.00
52.34
MOL2
C


ATOM
8068
CB
ASP
E
59
31.127
−34.435
−91.550
1.00
57.20
MOL2
C


ATOM
8069
CG
ASP
E
59
31.466
−33.029
−91.076
1.00
63.00
MOL2
C


ATOM
8070
OD1
ASP
E
59
32.027
−32.228
−91.853
1.00
61.86
MOL2
O


ATOM
8071
OD2
ASP
E
59
31.176
−32.728
−89.900
1.00
72.14
MOL2
O


ATOM
8072
C
ASP
E
59
32.759
−34.199
−93.409
1.00
50.93
MOL2
C


ATOM
8073
O
ASP
E
59
33.728
−34.595
−92.785
1.00
54.75
MOL2
O


ATOM
8074
N
PRO
E
60
32.884
−33.389
−94.444
1.00
51.08
MOL2
N


ATOM
8075
CD
PRO
E
60
32.016
−33.418
−95.623
1.00
50.12
MOL2
C


ATOM
8076
CA
PRO
E
60
34.220
−32.950
−94.817
1.00
52.23
MOL2
C


ATOM
8077
CB
PRO
E
60
33.999
−32.221
−96.147
1.00
48.88
MOL2
C


ATOM
8078
CG
PRO
E
60
32.514
−32.248
−96.376
1.00
44.79
MOL2
C


ATOM
8079
C
PRO
E
60
35.031
−32.157
−93.798
1.00
54.56
MOL2
C


ATOM
8080
O
PRO
E
60
36.230
−32.015
−93.962
1.00
58.78
MOL2
O


ATOM
8081
N
ASN
E
61
34.412
−31.648
−92.746
1.00
57.99
MOL2
N


ATOM
8082
CA
ASN
E
61
35.189
−30.925
−91.753
1.00
65.15
MOL2
C


ATOM
8083
CB
ASN
E
61
34.534
−29.600
−91.392
1.00
76.68
MOL2
C


ATOM
8084
CG
ASN
E
61
34.849
−28.515
−92.392
1.00
85.10
MOL2
C


ATOM
8085
OD1
ASN
E
61
35.999
−28.375
−92.829
1.00
84.88
MOL2
O


ATOM
8086
ND2
ASN
E
61
33.836
−27.727
−92.754
1.00
90.97
MOL2
N


ATOM
8087
C
ASN
E
61
35.329
−31.788
−90.529
1.00
65.74
MOL2
C


ATOM
8088
O
ASN
E
61
35.362
−31.298
−89.398
1.00
73.49
MOL2
O


ATOM
8089
N
ARG
E
62
35.423
−33.088
−90.778
1.00
64.01
MOL2
N


ATOM
8090
CA
ARG
E
62
35.541
−34.092
−89.724
1.00
61.06
MOL2
C


ATOM
8091
CB
ARG
E
62
34.194
−34.787
−89.500
1.00
50.21
MOL2
C


ATOM
8092
CG
ARG
E
62
34.311
−36.035
−88.668
1.00
42.12
MOL2
C


ATOM
8093
CD
ARG
E
62
32.982
−36.696
−88.378
1.00
38.17
MOL2
C


ATOM
8094
NE
ARG
E
62
32.435
−37.392
−89.534
1.00
33.78
MOL2
N


ATOM
8095
CZ
ARG
E
62
31.304
−38.096
−89.503
1.00
39.49
MOL2
C


ATOM
8096
NH1
ARG
E
62
30.614
−38.194
−88.381
1.00
40.48
MOL2
N


ATOM
8097
NH2
ARG
E
62
30.849
−38.700
−90.587
1.00
40.15
MOL2
N


ATOM
8098
C
ARG
E
62
36.548
−35.172
−90.073
1.00
60.67
MOL2
C


ATOM
8099
O
ARG
E
62
36.480
−35.764
−91.150
1.00
58.25
MOL2
O


ATOM
8100
N
TYR
E
63
37.485
−35.441
−89.174
1.00
59.80
MOL2
N


ATOM
8101
CA
TYR
E
63
38.432
−36.512
−89.439
1.00
60.11
MOL2
C


ATOM
8102
CB
TYR
E
63
39.871
−36.025
−89.508
1.00
72.93
MOL2
C


ATOM
8103
CG
TYR
E
63
40.835
−37.175
−89.726
1.00
74.02
MOL2
C


ATOM
8104
CD1
TYR
E
63
42.055
−37.229
−89.071
1.00
76.81
MOL2
C


ATOM
8105
CE1
TYR
E
63
42.919
−38.290
−89.260
1.00
81.34
MOL2
C


ATOM
8106
CD2
TYR
E
63
40.510
−38.210
−90.577
1.00
77.48
MOL2
C


ATOM
8107
CE2
TYR
E
63
41.364
−39.269
−90.775
1.00
84.68
MOL2
C


ATOM
8108
CZ
TYR
E
63
42.570
−39.310
−90.116
1.00
82.69
MOL2
C


ATOM
8109
OH
TYR
E
63
43.422
−40.375
−90.330
1.00
82.64
MOL2
O


ATOM
8110
C
TYR
E
63
38.356
−37.546
−88.346
1.00
55.62
MOL2
C


ATOM
8111
O
TYR
E
63
38.590
−37.246
−87.172
1.00
57.14
MOL2
O


ATOM
8112
N
PRO
E
64
37.989
−38.775
−88.710
1.00
49.22
MOL2
N


ATOM
8113
CD
PRO
E
64
37.768
−39.882
−87.772
1.00
51.20
MOL2
C


ATOM
8114
CA
PRO
E
64
37.652
−39.199
−90.067
1.00
52.71
MOL2
C


ATOM
8115
CB
PRO
E
64
37.484
−40.694
−89.914
1.00
52.36
MOL2
C


ATOM
8116
CG
PRO
E
64
36.860
−40.793
−88.578
1.00
49.85
MOL2
C


ATOM
8117
C
PRO
E
64
36.375
−38.570
−90.606
1.00
58.88
MOL2
C


ATOM
8118
O
PRO
E
64
35.459
−38.254
−89.856
1.00
64.95
MOL2
O


ATOM
8119
N
SER
E
65
36.309
−38.428
−91.921
1.00
58.49
MOL2
N


ATOM
8120
CA
SER
E
65
35.155
−37.842
−92.568
1.00
58.30
MOL2
C


ATOM
8121
CB
SER
E
65
35.487
−37.534
−94.021
1.00
58.38
MOL2
C


ATOM
8122
OG
SER
E
65
35.377
−38.696
−94.813
1.00
50.72
MOL2
O


ATOM
8123
C
SER
E
65
33.939
−38.758
−92.517
1.00
58.26
MOL2
C


ATOM
8124
O
SER
E
65
32.811
−38.297
−92.299
1.00
65.58
MOL2
O


ATOM
8125
N
GLU
E
66
34.156
−40.047
−92.739
1.00
49.77
MOL2
N


ATOM
8126
CA
GLU
E
66
33.054
−40.996
−92.716
1.00
51.35
MOL2
C


ATOM
8127
CB
GLU
E
66
33.248
−42.107
−93.761
1.00
53.88
MOL2
C


ATOM
8128
CG
GLU
E
66
34.518
−41.987
−94.597
1.00
82.21
MOL2
C


ATOM
8129
CD
GLU
E
66
35.815
−42.096
−93.773
1.00
93.90
MOL2
C


ATOM
8130
OE1
GLU
E
66
36.344
−43.224
−93.624
1.00
101.45
MOL2
O


ATOM
8131
OE2
GLU
E
66
36.306
−41.054
−93.271
1.00
97.26
MOL2
O


ATOM
8132
C
GLU
E
66
32.971
−41.626
−91.347
1.00
49.22
MOL2
C


ATOM
8133
O
GLU
E
66
33.986
−41.945
−90.748
1.00
53.58
MOL2
O


ATOM
8134
N
VAL
E
67
31.763
−41.766
−90.825
1.00
48.38
MOL2
N


ATOM
8135
CA
VAL
E
67
31.592
−42.432
−89.552
1.00
44.38
MOL2
C


ATOM
8136
CB
VAL
E
67
31.315
−41.495
−88.419
1.00
41.29
MOL2
C


ATOM
8137
CG1
VAL
E
67
31.101
−42.303
−87.156
1.00
34.89
MOL2
C


ATOM
8138
CG2
VAL
E
67
32.487
−40.566
−88.243
1.00
44.80
MOL2
C


ATOM
8139
C
VAL
E
67
30.424
−43.350
−89.718
1.00
46.42
MOL2
C


ATOM
8140
O
VAL
E
67
29.305
−42.915
−89.974
1.00
52.39
MOL2
O


ATOM
8141
N
VAL
E
68
30.692
−44.637
−89.598
1.00
46.79
MOL2
N


ATOM
8142
CA
VAL
E
68
29.639
−45.615
−89.767
1.00
48.74
MOL2
C


ATOM
8143
CB
VAL
E
68
30.083
−46.733
−90.699
1.00
44.80
MOL2
C


ATOM
8144
CG1
VAL
E
68
31.587
−46.827
−90.679
1.00
51.42
MOL2
C


ATOM
8145
CG2
VAL
E
68
29.438
−48.049
−90.273
1.00
38.95
MOL2
C


ATOM
8146
C
VAL
E
68
29.115
−46.204
−88.463
1.00
51.62
MOL2
C


ATOM
8147
O
VAL
E
68
29.884
−46.640
−87.593
1.00
51.97
MOL2
O


ATOM
8148
N
GLN
E
69
27.785
−46.196
−88.360
1.00
48.19
MOL2
N


ATOM
8149
CA
GLN
E
69
27.055
−46.676
−87.200
1.00
44.45
MOL2
C


ATOM
8150
CB
GLN
E
69
26.099
−45.604
−86.732
1.00
39.76
MOL2
C


ATOM
8151
CG
GLN
E
69
26.752
−44.362
−86.241
1.00
44.61
MOL2
C


ATOM
8152
CD
GLN
E
69
27.284
−44.556
−84.865
1.00
52.58
MOL2
C


ATOM
8153
OE1
GLN
E
69
26.876
−45.488
−84.159
1.00
60.19
MOL2
O


ATOM
8154
NE2
GLN
E
69
28.186
−43.674
−84.451
1.00
52.03
MOL2
N


ATOM
8155
C
GLN
E
69
26.247
−47.885
−87.602
1.00
48.34
MOL2
C


ATOM
8156
O
GLN
E
69
25.657
−47.909
−88.674
1.00
49.92
MOL2
O


ATOM
8157
N
ALA
E
70
26.201
−48.886
−86.738
1.00
49.90
MOL2
N


ATOM
8158
CA
ALA
E
70
25.438
−50.081
−87.053
1.00
52.19
MOL2
C


ATOM
8159
CB
ALA
E
70
26.241
−51.297
−86.697
1.00
56.24
MOL2
C


ATOM
8160
C
ALA
E
70
24.123
−50.083
−86.293
1.00
54.52
MOL2
C


ATOM
8161
O
ALA
E
70
23.935
−49.283
−85.389
1.00
64.93
MOL2
O


ATOM
8162
N
GLN
E
71
23.205
−50.967
−86.668
1.00
51.19
MOL2
N


ATOM
8163
CA
GLN
E
71
21.927
−51.077
−85.971
1.00
48.31
MOL2
C


ATOM
8164
CB
GLN
E
71
20.872
−50.148
−86.568
1.00
54.09
MOL2
C


ATOM
8165
CG
GLN
E
71
21.257
−49.407
−87.821
1.00
72.60
MOL2
C


ATOM
8166
CD
GLN
E
71
20.024
−48.832
−88.507
1.00
89.45
MOL2
C


ATOM
8167
OE1
GLN
E
71
19.225
−48.123
−87.880
1.00
92.14
MOL2
O


ATOM
8168
NE2
GLN
E
71
19.856
−49.143
−89.798
1.00
91.96
MOL2
N


ATOM
8169
C
GLN
E
71
21.441
−52.513
−86.053
1.00
41.89
MOL2
C


ATOM
8170
O
GLN
E
71
21.283
−53.038
−87.138
1.00
39.47
MOL2
O


ATOM
8171
N
CYS
E
72
21.202
−53.158
−84.917
1.00
40.31
MOL2
N


ATOM
8172
CA
CYS
E
72
20.753
−54.550
−84.954
1.00
44.02
MOL2
C


ATOM
8173
C
CYS
E
72
19.472
−54.722
−85.763
1.00
48.09
MOL2
C


ATOM
8174
O
CYS
E
72
18.469
−54.048
−85.531
1.00
46.70
MOL2
O


ATOM
8175
CB
CYS
E
72
20.566
−55.108
−83.540
1.00
43.82
MOL2
C


ATOM
8176
SG
CYS
E
72
22.020
−54.777
−82.503
1.00
50.10
MOL2
S


ATOM
8177
N
ARG
E
73
19.517
−55.645
−86.719
1.00
55.21
MOL2
N


ATOM
8178
CA
ARG
E
73
18.382
−55.909
−87.592
1.00
58.95
MOL2
C


ATOM
8179
CB
ARG
E
73
18.808
−56.797
−88.756
1.00
62.39
MOL2
C


ATOM
8180
CG
ARG
E
73
19.601
−56.092
−89.847
1.00
77.27
MOL2
C


ATOM
8181
CD
ARG
E
73
19.235
−56.699
−91.191
1.00
91.12
MOL2
C


ATOM
8182
NE
ARG
E
73
18.715
−58.048
−90.981
1.00
107.33
MOL2
N


ATOM
8183
CZ
ARG
E
73
18.205
−58.827
−91.928
1.00
113.35
MOL2
C


ATOM
8184
NH1
ARG
E
73
18.141
−58.395
−93.185
1.00
113.41
MOL2
N


ATOM
8185
NH2
ARG
E
73
17.748
−60.037
−91.606
1.00
114.87
MOL2
N


ATOM
8186
C
ARG
E
73
17.146
−56.522
−86.945
1.00
61.16
MOL2
C


ATOM
8187
O
ARG
E
73
16.032
−56.280
−87.408
1.00
63.88
MOL2
O


ATOM
8188
N
ASN
E
74
17.331
−57.309
−85.887
1.00
60.75
MOL2
N


ATOM
8189
CA
ASN
E
74
16.211
−57.957
−85.204
1.00
58.58
MOL2
C


ATOM
8190
CB
ASN
E
74
16.179
−59.432
−85.573
1.00
63.88
MOL2
C


ATOM
8191
CG
ASN
E
74
15.723
−59.657
−86.987
1.00
73.21
MOL2
C


ATOM
8192
OD1
ASN
E
74
16.306
−60.453
−87.730
1.00
77.35
MOL2
O


ATOM
8193
ND2
ASN
E
74
14.656
−58.960
−87.373
1.00
82.26
MOL2
N


ATOM
8194
C
ASN
E
74
16.307
−57.836
−83.696
1.00
55.64
MOL2
C


ATOM
8195
O
ASN
E
74
17.282
−57.316
−83.175
1.00
54.84
MOL2
O


ATOM
8196
N
LEU
E
75
15.292
−58.320
−82.992
1.00
55.82
MOL2
N


ATOM
8197
CA
LEU
E
75
15.304
−58.273
−81.534
1.00
57.06
MOL2
C


ATOM
8198
CB
LEU
E
75
13.893
−58.148
−80.958
1.00
52.04
MOL2
C


ATOM
8199
CG
LEU
E
75
13.217
−56.784
−80.985
1.00
51.80
MOL2
C


ATOM
8200
CD1
LEU
E
75
12.080
−56.788
−79.997
1.00
49.65
MOL2
C


ATOM
8201
CD2
LEU
E
75
14.206
−55.703
−80.609
1.00
55.31
MOL2
C


ATOM
8202
C
LEU
E
75
15.921
−59.545
−80.997
1.00
63.81
MOL2
C


ATOM
8203
O
LEU
E
75
16.712
−59.510
−80.055
1.00
68.47
MOL2
O


ATOM
8204
N
GLY
E
76
15.536
−60.676
−81.584
1.00
66.68
MOL2
N


ATOM
8205
CA
GLY
E
76
16.087
−61.949
−81.158
1.00
71.12
MOL2
C


ATOM
8206
C
GLY
E
76
17.291
−62.285
−82.022
1.00
76.93
MOL2
C


ATOM
8207
O
GLY
E
76
17.827
−61.409
−82.705
1.00
79.58
MOL2
O


ATOM
8208
N
CYS
E
77
17.736
−63.539
−81.996
1.00
78.39
MOL2
N


ATOM
8209
CA
CYS
E
77
18.875
−63.957
−82.816
1.00
78.17
MOL2
C


ATOM
8210
C
CYS
E
77
18.320
−64.899
−83.858
1.00
76.71
MOL2
C


ATOM
8211
O
CYS
E
77
17.166
−65.294
−83.764
1.00
81.20
MOL2
O


ATOM
8212
CB
CYS
E
77
19.917
−64.690
−81.977
1.00
78.22
MOL2
C


ATOM
8213
SG
CYS
E
77
20.364
−63.798
−80.459
1.00
89.73
MOL2
S


ATOM
8214
N
ILE
E
78
19.112
−65.263
−84.857
1.00
76.75
MOL2
N


ATOM
8215
CA
ILE
E
78
18.595
−66.174
−85.862
1.00
80.49
MOL2
C


ATOM
8216
CB
ILE
E
78
18.601
−65.556
−87.258
1.00
75.11
MOL2
C


ATOM
8217
CG2
ILE
E
78
17.856
−64.245
−87.222
1.00
64.70
MOL2
C


ATOM
8218
CG1
ILE
E
78
20.034
−65.386
−87.764
1.00
85.80
MOL2
C


ATOM
8219
CD1
ILE
E
78
20.612
−66.611
−88.489
1.00
90.17
MOL2
C


ATOM
8220
C
ILE
E
78
19.332
−67.492
−85.885
1.00
89.07
MOL2
C


ATOM
8221
O
ILE
E
78
20.520
−67.550
−85.586
1.00
92.56
MOL2
O


ATOM
8222
N
ASN
E
79
18.617
−68.562
−86.221
1.00
98.50
MOL2
N


ATOM
8223
CA
ASN
E
79
19.241
−69.877
−86.256
1.00
110.09
MOL2
C


ATOM
8224
CB
ASN
E
79
18.358
−70.928
−85.585
1.00
107.86
MOL2
C


ATOM
8225
CG
ASN
E
79
17.128
−71.233
−86.377
1.00
108.80
MOL2
C


ATOM
8226
OD1
ASN
E
79
16.256
−70.385
−86.534
1.00
110.53
MOL2
O


ATOM
8227
ND2
ASN
E
79
17.047
−72.452
−86.897
1.00
113.64
MOL2
N


ATOM
8228
C
ASN
E
79
19.592
−70.311
−87.671
1.00
118.27
MOL2
C


ATOM
8229
O
ASN
E
79
19.956
−69.475
−88.501
1.00
121.27
MOL2
O


ATOM
8230
N
ALA
E
80
19.514
−71.615
−87.935
1.00
125.19
MOL2
N


ATOM
8231
CA
ALA
E
80
19.834
−72.158
−89.256
1.00
130.61
MOL2
C


ATOM
8232
CB
ALA
E
80
19.715
−73.673
−89.235
1.00
128.53
MOL2
C


ATOM
8233
C
ALA
E
80
18.878
−71.571
−90.291
1.00
134.25
MOL2
C


ATOM
8234
O
ALA
E
80
18.054
−72.287
−90.865
1.00
133.17
MOL2
O


ATOM
8235
N
GLN
E
81
19.009
−70.265
−90.521
1.00
137.89
MOL2
N


ATOM
8236
CA
GLN
E
81
18.156
−69.523
−91.445
1.00
139.14
MOL2
C


ATOM
8237
CB
GLN
E
81
18.337
−70.014
−92.887
1.00
144.30
MOL2
C


ATOM
8238
CG
GLN
E
81
19.145
−69.054
−93.762
1.00
149.40
MOL2
C


ATOM
8239
CD
GLN
E
81
19.094
−69.405
−95.243
1.00
152.30
MOL2
C


ATOM
8240
OE1
GLN
E
81
19.635
−70.427
−95.671
1.00
153.27
MOL2
O


ATOM
8241
NE2
GLN
E
81
18.436
−68.556
−96.031
1.00
150.03
MOL2
N


ATOM
8242
C
GLN
E
81
16.698
−69.655
−91.021
1.00
135.84
MOL2
C


ATOM
8243
O
GLN
E
81
15.786
−69.412
−91.808
1.00
135.95
MOL2
O


ATOM
8244
N
GLY
E
82
16.489
−70.022
−89.760
1.00
131.45
MOL2
N


ATOM
8245
CA
GLY
E
82
15.140
−70.198
−89.255
1.00
126.03
MOL2
C


ATOM
8246
C
GLY
E
82
14.604
−69.061
−88.410
1.00
119.59
MOL2
C


ATOM
8247
O
GLY
E
82
14.038
−69.284
−87.342
1.00
117.87
MOL2
O


ATOM
8248
N
LYS
E
83
14.769
−67.842
−88.903
1.00
114.72
MOL2
N


ATOM
8249
CA
LYS
E
83
14.314
−66.643
−88.210
1.00
114.48
MOL2
C


ATOM
8250
CB
LYS
E
83
12.882
−66.288
−88.642
1.00
119.53
MOL2
C


ATOM
8251
CG
LYS
E
83
12.830
−65.305
−89.833
1.00
123.26
MOL2
C


ATOM
8252
CD
LYS
E
83
13.557
−63.989
−89.496
1.00
122.89
MOL2
C


ATOM
8253
CE
LYS
E
83
13.596
−62.996
−90.660
1.00
121.89
MOL2
C


ATOM
8254
NZ
LYS
E
83
14.360
−61.750
−90.315
1.00
114.22
MOL2
N


ATOM
8255
C
LYS
E
83
14.442
−66.610
−86.677
1.00
108.72
MOL2
C


ATOM
8256
O
LYS
E
83
14.914
−67.556
−86.047
1.00
105.13
MOL2
O


ATOM
8257
N
GLU
E
84
14.023
−65.482
−86.105
1.00
102.09
MOL2
N


ATOM
8258
CA
GLU
E
84
14.101
−65.198
−84.678
1.00
91.74
MOL2
C


ATOM
8259
CB
GLU
E
84
13.147
−64.053
−84.329
1.00
87.64
MOL2
C


ATOM
8260
CG
GLU
E
84
13.637
−62.700
−84.802
1.00
86.66
MOL2
C


ATOM
8261
CD
GLU
E
84
12.865
−61.559
−84.198
1.00
87.09
MOL2
C


ATOM
8262
OE1
GLU
E
84
13.296
−60.396
−84.357
1.00
88.12
MOL2
O


ATOM
8263
OE2
GLU
E
84
11.823
−61.824
−83.565
1.00
92.87
MOL2
O


ATOM
8264
C
GLU
E
84
13.908
−66.315
−83.676
1.00
87.00
MOL2
C


ATOM
8265
O
GLU
E
84
13.220
−67.293
−83.926
1.00
89.11
MOL2
O


ATOM
8266
N
ASP
E
85
14.546
−66.139
−82.528
1.00
82.08
MOL2
N


ATOM
8267
CA
ASP
E
85
14.463
−67.066
−81.416
1.00
77.74
MOL2
C


ATOM
8268
CB
ASP
E
85
15.656
−68.012
−81.403
1.00
75.72
MOL2
C


ATOM
8269
CG
ASP
E
85
15.702
−68.864
−80.144
1.00
80.58
MOL2
C


ATOM
8270
OD1
ASP
E
85
16.701
−69.580
−79.925
1.00
85.99
MOL2
O


ATOM
8271
OD2
ASP
E
85
14.729
−68.821
−79.365
1.00
83.71
MOL2
O


ATOM
8272
C
ASP
E
85
14.509
−66.192
−80.174
1.00
78.30
MOL2
C


ATOM
8273
O
ASP
E
85
15.496
−66.208
−79.440
1.00
80.45
MOL2
O


ATOM
8274
N
ILE
E
86
13.443
−65.427
−79.951
1.00
75.25
MOL2
N


ATOM
8275
CA
ILE
E
86
13.344
−64.510
−78.819
1.00
71.69
MOL2
C


ATOM
8276
CB
ILE
E
86
11.875
−64.045
−78.634
1.00
71.23
MOL2
C


ATOM
8277
CG2
ILE
E
86
11.667
−63.457
−77.263
1.00
77.83
MOL2
C


ATOM
8278
CG1
ILE
E
86
11.527
−62.988
−79.674
1.00
69.23
MOL2
C


ATOM
8279
CD1
ILE
E
86
11.462
−63.523
−81.068
1.00
79.34
MOL2
C


ATOM
8280
C
ILE
E
86
13.881
−65.028
−77.481
1.00
71.67
MOL2
C


ATOM
8281
O
ILE
E
86
14.058
−64.248
−76.543
1.00
67.22
MOL2
O


ATOM
8282
N
SER
E
87
14.145
−66.330
−77.376
1.00
72.81
MOL2
N


ATOM
8283
CA
SER
E
87
14.654
−66.859
−76.116
1.00
72.24
MOL2
C


ATOM
8284
CB
SER
E
87
14.984
−68.359
−76.223
1.00
72.21
MOL2
C


ATOM
8285
OG
SER
E
87
15.928
−68.635
−77.239
1.00
78.01
MOL2
O


ATOM
8286
C
SER
E
87
15.886
−66.044
−75.729
1.00
71.37
MOL2
C


ATOM
8287
O
SER
E
87
16.111
−65.770
−74.544
1.00
70.16
MOL2
O


ATOM
8288
N
MET
E
88
16.646
−65.633
−76.746
1.00
68.20
MOL2
N


ATOM
8289
CA
MET
E
88
17.861
−64.833
−76.588
1.00
68.21
MOL2
C


ATOM
8290
CB
MET
E
88
19.088
−65.642
−77.008
1.00
77.59
MOL2
C


ATOM
8291
CG
MET
E
88
19.161
−67.040
−76.439
1.00
86.89
MOL2
C


ATOM
8292
SD
MET
E
88
20.421
−68.022
−77.268
1.00
102.29
MOL2
S


ATOM
8293
CE
MET
E
88
19.438
−68.906
−78.523
1.00
93.64
MOL2
C


ATOM
8294
C
MET
E
88
17.738
−63.650
−77.539
1.00
62.85
MOL2
C


ATOM
8295
O
MET
E
88
17.182
−63.792
−78.619
1.00
65.48
MOL2
O


ATOM
8296
N
ASN
E
89
18.272
−62.496
−77.166
1.00
55.62
MOL2
N


ATOM
8297
CA
ASN
E
89
18.178
−61.335
−78.040
1.00
50.85
MOL2
C


ATOM
8298
CB
ASN
E
89
17.564
−60.161
−77.288
1.00
49.55
MOL2
C


ATOM
8299
CG
ASN
E
89
16.982
−60.568
−75.947
1.00
57.40
MOL2
C


ATOM
8300
OD1
ASN
E
89
17.692
−60.692
−74.938
1.00
53.95
MOL2
O


ATOM
8301
ND2
ASN
E
89
15.676
−60.787
−75.932
1.00
61.21
MOL2
N


ATOM
8302
C
ASN
E
89
19.536
−60.915
−78.556
1.00
50.59
MOL2
C


ATOM
8303
O
ASN
E
89
20.570
−61.272
−77.981
1.00
48.04
MOL2
O


ATOM
8304
N
SER
E
90
19.519
−60.154
−79.648
1.00
48.61
MOL2
N


ATOM
8305
CA
SER
E
90
20.740
−59.633
−80.244
1.00
47.70
MOL2
C


ATOM
8306
CB
SER
E
90
20.662
−59.693
−81.773
1.00
46.19
MOL2
C


ATOM
8307
OG
SER
E
90
19.531
−59.018
−82.267
1.00
50.16
MOL2
O


ATOM
8308
C
SER
E
90
20.874
−58.195
−79.752
1.00
44.95
MOL2
C


ATOM
8309
O
SER
E
90
19.905
−57.450
−79.738
1.00
44.20
MOL2
O


ATOM
8310
N
VAL
E
91
22.072
−57.813
−79.330
1.00
44.28
MOL2
N


ATOM
8311
CA
VAL
E
91
22.288
−56.475
−78.808
1.00
43.66
MOL2
C


ATOM
8312
CB
VAL
E
91
22.482
−56.538
−77.309
1.00
41.57
MOL2
C


ATOM
8313
CG1
VAL
E
91
21.187
−56.883
−76.658
1.00
44.38
MOL2
C


ATOM
8314
CG2
VAL
E
91
23.499
−57.607
−76.977
1.00
39.58
MOL2
C


ATOM
8315
C
VAL
E
91
23.487
−55.773
−79.427
1.00
44.74
MOL2
C


ATOM
8316
O
VAL
E
91
24.452
−56.403
−79.835
1.00
43.70
MOL2
O


ATOM
8317
N
PRO
E
92
23.440
−54.443
−79.496
1.00
42.31
MOL2
N


ATOM
8318
CD
PRO
E
92
22.345
−53.554
−79.093
1.00
42.44
MOL2
C


ATOM
8319
CA
PRO
E
92
24.530
−53.673
−80.072
1.00
40.29
MOL2
C


ATOM
8320
CB
PRO
E
92
23.917
−52.298
−80.247
1.00
40.11
MOL2
C


ATOM
8321
CG
PRO
E
92
23.028
−52.208
−79.090
1.00
41.06
MOL2
C


ATOM
8322
C
PRO
E
92
25.748
−53.621
−79.191
1.00
43.13
MOL2
C


ATOM
8323
O
PRO
E
92
25.655
−53.723
−77.974
1.00
42.59
MOL2
O


ATOM
8324
N
ILE
E
93
26.892
−53.453
−79.837
1.00
48.16
MOL2
N


ATOM
8325
CA
ILE
E
93
28.187
−53.343
−79.180
1.00
49.81
MOL2
C


ATOM
8326
CB
ILE
E
93
29.195
−54.299
−79.803
1.00
46.92
MOL2
C


ATOM
8327
CG2
ILE
E
93
30.533
−54.107
−79.178
1.00
44.02
MOL2
C


ATOM
8328
CG1
ILE
E
93
28.729
−55.730
−79.601
1.00
51.27
MOL2
C


ATOM
8329
CD1
ILE
E
93
28.373
−56.023
−78.157
1.00
53.71
MOL2
C


ATOM
8330
C
ILE
E
93
28.624
−51.935
−79.503
1.00
52.28
MOL2
C


ATOM
8331
O
ILE
E
93
28.746
−51.587
−80.679
1.00
57.40
MOL2
O


ATOM
8332
N
GLN
E
94
28.865
−51.123
−78.485
1.00
49.84
MOL2
N


ATOM
8333
CA
GLN
E
94
29.246
−49.742
−78.732
1.00
56.54
MOL2
C


ATOM
8334
CB
GLN
E
94
28.224
−48.823
−78.052
1.00
59.34
MOL2
C


ATOM
8335
CG
GLN
E
94
26.780
−49.139
−78.458
1.00
70.43
MOL2
C


ATOM
8336
CD
GLN
E
94
25.730
−48.440
−77.604
1.00
75.73
MOL2
C


ATOM
8337
OE1
GLN
E
94
25.596
−47.216
−77.637
1.00
77.91
MOL2
O


ATOM
8338
NE2
GLN
E
94
24.974
−49.223
−76.836
1.00
79.77
MOL2
N


ATOM
8339
C
GLN
E
94
30.660
−49.417
−78.269
1.00
59.38
MOL2
C


ATOM
8340
O
GLN
E
94
31.153
−49.996
−77.309
1.00
65.31
MOL2
O


ATOM
8341
N
GLN
E
95
31.302
−48.484
−78.962
1.00
61.31
MOL2
N


ATOM
8342
CA
GLN
E
95
32.663
−48.063
−78.653
1.00
62.87
MOL2
C


ATOM
8343
CB
GLN
E
95
33.612
−48.677
−79.690
1.00
67.12
MOL2
C


ATOM
8344
CG
GLN
E
95
34.979
−48.016
−79.837
1.00
74.36
MOL2
C


ATOM
8345
CD
GLN
E
95
35.848
−48.154
−78.597
1.00
85.35
MOL2
C


ATOM
8346
OE1
GLN
E
95
37.015
−47.749
−78.601
1.00
89.40
MOL2
O


ATOM
8347
NE2
GLN
E
95
35.287
−48.723
−77.526
1.00
86.40
MOL2
N


ATOM
8348
C
GLN
E
95
32.753
−46.541
−78.705
1.00
64.12
MOL2
C


ATOM
8349
O
GLN
E
95
32.292
−45.928
−79.663
1.00
65.85
MOL2
O


ATOM
8350
N
GLU
E
96
33.327
−45.927
−77.676
1.00
65.29
MOL2
N


ATOM
8351
CA
GLU
E
96
33.480
−44.477
−77.663
1.00
68.39
MOL2
C


ATOM
8352
CB
GLU
E
96
33.680
−43.969
−76.235
1.00
81.52
MOL2
C


ATOM
8353
CG
GLU
E
96
34.980
−44.494
−75.605
1.00
107.35
MOL2
C


ATOM
8354
CD
GLU
E
96
35.366
−43.816
−74.290
1.00
119.77
MOL2
C


ATOM
8355
OE1
GLU
E
96
34.585
−43.908
−73.313
1.00
126.29
MOL2
O


ATOM
8356
OE2
GLU
E
96
36.460
−43.199
−74.236
1.00
121.87
MOL2
O


ATOM
8357
C
GLU
E
96
34.734
−44.177
−78.478
1.00
63.33
MOL2
C


ATOM
8358
O
GLU
E
96
35.786
−44.764
−78.248
1.00
58.01
MOL2
O


ATOM
8359
N
THR
E
97
34.622
−43.272
−79.438
1.00
63.40
MOL2
N


ATOM
8360
CA
THR
E
97
35.767
−42.914
−80.261
1.00
63.98
MOL2
C


ATOM
8361
CB
THR
E
97
35.613
−43.480
−81.692
1.00
66.25
MOL2
C


ATOM
8362
OG1
THR
E
97
36.594
−42.892
−82.568
1.00
69.23
MOL2
O


ATOM
8363
CG2
THR
E
97
34.221
−43.211
−82.208
1.00
58.80
MOL2
C


ATOM
8364
C
THR
E
97
35.963
−41.400
−80.332
1.00
62.45
MOL2
C


ATOM
8365
O
THR
E
97
35.090
−40.618
−79.952
1.00
60.21
MOL2
O


ATOM
8366
N
LEU
E
98
37.125
−41.002
−80.825
1.00
58.41
MOL2
N


ATOM
8367
CA
LEU
E
98
37.469
−39.607
−80.950
1.00
51.78
MOL2
C


ATOM
8368
CB
LEU
E
98
38.867
−39.411
−80.421
1.00
47.88
MOL2
C


ATOM
8369
CG
LEU
E
98
39.022
−38.238
−79.499
1.00
44.52
MOL2
C


ATOM
8370
CD1
LEU
E
98
38.088
−38.411
−78.326
1.00
37.36
MOL2
C


ATOM
8371
CD2
LEU
E
98
40.465
−38.175
−79.066
1.00
45.64
MOL2
C


ATOM
8372
C
LEU
E
98
37.454
−39.220
−82.414
1.00
52.01
MOL2
C


ATOM
8373
O
LEU
E
98
37.773
−40.036
−83.277
1.00
57.53
MOL2
O


ATOM
8374
N
VAL
E
99
37.084
−37.979
−82.693
1.00
47.39
MOL2
N


ATOM
8375
CA
VAL
E
99
37.076
−37.466
−84.059
1.00
43.63
MOL2
C


ATOM
8376
CB
VAL
E
99
35.686
−37.468
−84.676
1.00
36.40
MOL2
C


ATOM
8377
CG1
VAL
E
99
35.425
−38.771
−85.360
1.00
36.46
MOL2
C


ATOM
8378
CG2
VAL
E
99
34.664
−37.258
−83.598
1.00
40.01
MOL2
C


ATOM
8379
C
VAL
E
99
37.539
−36.038
−83.951
1.00
47.78
MOL2
C


ATOM
8380
O
VAL
E
99
37.568
−35.476
−82.856
1.00
54.67
MOL2
O


ATOM
8381
N
VAL
E
100
37.910
−35.440
−85.071
1.00
49.89
MOL2
N


ATOM
8382
CA
VAL
E
100
38.379
−34.072
−85.021
1.00
53.73
MOL2
C


ATOM
8383
CB
VAL
E
100
39.815
−33.971
−85.542
1.00
46.88
MOL2
C


ATOM
8384
CG1
VAL
E
100
40.419
−32.651
−85.129
1.00
48.36
MOL2
C


ATOM
8385
CG2
VAL
E
100
40.646
−35.096
−84.997
1.00
44.54
MOL2
C


ATOM
8386
C
VAL
E
100
37.489
−33.181
−85.859
1.00
61.88
MOL2
C


ATOM
8387
O
VAL
E
100
37.089
−33.566
−86.954
1.00
61.99
MOL2
O


ATOM
8388
N
ARG
E
101
37.175
−31.999
−85.331
1.00
70.51
MOL2
N


ATOM
8389
CA
ARG
E
101
36.339
−31.027
−86.023
1.00
76.01
MOL2
C


ATOM
8390
CB
ARG
E
101
35.261
−30.471
−85.077
1.00
78.41
MOL2
C


ATOM
8391
CG
ARG
E
101
33.868
−31.075
−85.255
1.00
82.62
MOL2
C


ATOM
8392
CD
ARG
E
101
33.364
−30.846
−86.677
1.00
87.29
MOL2
C


ATOM
8393
NE
ARG
E
101
32.050
−31.429
−86.929
1.00
89.15
MOL2
N


ATOM
8394
CZ
ARG
E
101
31.724
−32.691
−86.666
1.00
97.26
MOL2
C


ATOM
8395
NH1
ARG
E
101
32.615
−33.513
−86.129
1.00
101.19
MOL2
N


ATOM
8396
NH2
ARG
E
101
30.510
−33.144
−86.957
1.00
101.44
MOL2
N


ATOM
8397
C
ARG
E
101
37.212
−29.889
−86.523
1.00
79.13
MOL2
C


ATOM
8398
O
ARG
E
101
38.080
−29.396
−85.798
1.00
80.39
MOL2
O


ATOM
8399
N
ARG
E
102
36.991
−29.487
−87.769
1.00
82.53
MOL2
N


ATOM
8400
CA
ARG
E
102
37.746
−28.394
−88.348
1.00
94.21
MOL2
C


ATOM
8401
CB
ARG
E
102
38.169
−28.751
−89.784
1.00
89.08
MOL2
C


ATOM
8402
CG
ARG
E
102
39.107
−27.719
−90.411
1.00
94.33
MOL2
C


ATOM
8403
CD
ARG
E
102
39.931
−28.228
−91.597
1.00
90.53
MOL2
C


ATOM
8404
NE
ARG
E
102
39.124
−28.737
−92.707
1.00
96.73
MOL2
N


ATOM
8405
CZ
ARG
E
102
39.600
−28.956
−93.932
1.00
96.62
MOL2
C


ATOM
8406
NH1
ARG
E
102
40.873
−28.696
−94.198
1.00
96.35
MOL2
N


ATOM
8407
NH2
ARG
E
102
38.818
−29.460
−94.884
1.00
92.42
MOL2
N


ATOM
8408
C
ARG
E
102
36.859
−27.143
−88.312
1.00
102.33
MOL2
C


ATOM
8409
O
ARG
E
102
36.078
−26.904
−89.227
1.00
109.01
MOL2
O


ATOM
8410
N
LYS
E
103
36.975
−26.358
−87.241
1.00
107.68
MOL2
N


ATOM
8411
CA
LYS
E
103
36.172
−25.150
−87.074
1.00
116.53
MOL2
C


ATOM
8412
CB
LYS
E
103
36.121
−24.745
−85.596
1.00
120.05
MOL2
C


ATOM
8413
CG
LYS
E
103
35.175
−25.552
−84.711
1.00
122.89
MOL2
C


ATOM
8414
CD
LYS
E
103
35.071
−24.912
−83.321
1.00
126.56
MOL2
C


ATOM
8415
CE
LYS
E
103
34.599
−23.449
−83.411
1.00
130.65
MOL2
C


ATOM
8416
NZ
LYS
E
103
34.624
−22.698
−82.111
1.00
128.86
MOL2
N


ATOM
8417
C
LYS
E
103
36.664
−23.956
−87.891
1.00
122.22
MOL2
C


ATOM
8418
O
LYS
E
103
37.867
−23.740
−88.025
1.00
124.36
MOL2
O


ATOM
8419
N
HIS
E
104
35.714
−23.187
−88.424
1.00
128.02
MOL2
N


ATOM
8420
CA
HIS
E
104
35.993
−21.995
−89.223
1.00
133.44
MOL2
C


ATOM
8421
CB
HIS
E
104
36.836
−21.029
−88.407
1.00
135.13
MOL2
C


ATOM
8422
CG
HIS
E
104
36.226
−20.694
−87.086
1.00
141.12
MOL2
C


ATOM
8423
CD2
HIS
E
104
34.936
−20.701
−86.677
1.00
143.94
MOL2
C


ATOM
8424
ND1
HIS
E
104
36.974
−20.320
−85.990
1.00
145.74
MOL2
N


ATOM
8425
CE1
HIS
E
104
36.170
−20.115
−84.962
1.00
148.35
MOL2
C


ATOM
8426
NE2
HIS
E
104
34.928
−20.339
−85.352
1.00
148.24
MOL2
N


ATOM
8427
C
HIS
E
104
36.659
−22.305
−90.558
1.00
137.66
MOL2
C


ATOM
8428
O
HIS
E
104
36.969
−23.461
−90.851
1.00
137.91
MOL2
O


ATOM
8429
N
GLN
E
105
36.865
−21.272
−91.373
1.00
141.84
MOL2
N


ATOM
8430
CA
GLN
E
105
37.472
−21.447
−92.694
1.00
144.01
MOL2
C


ATOM
8431
CB
GLN
E
105
36.443
−21.151
−93.800
1.00
143.87
MOL2
C


ATOM
8432
CG
GLN
E
105
35.011
−21.615
−93.506
1.00
145.95
MOL2
C


ATOM
8433
CD
GLN
E
105
34.162
−20.553
−92.795
1.00
146.60
MOL2
C


ATOM
8434
OE1
GLN
E
105
34.565
−19.995
−91.772
1.00
146.19
MOL2
O


ATOM
8435
NE2
GLN
E
105
32.977
−20.281
−93.339
1.00
145.01
MOL2
N


ATOM
8436
C
GLN
E
105
38.702
−20.561
−92.912
1.00
144.82
MOL2
C


ATOM
8437
O
GLN
E
105
39.045
−19.725
−92.070
1.00
146.22
MOL2
O


ATOM
8438
N
GLY
E
106
39.364
−20.758
−94.049
1.00
143.26
MOL2
N


ATOM
8439
CA
GLY
E
106
40.534
−19.965
−94.379
1.00
140.46
MOL2
C


ATOM
8440
C
GLY
E
106
41.700
−20.064
−93.416
1.00
139.38
MOL2
C


ATOM
8441
O
GLY
E
106
42.065
−21.153
−92.982
1.00
136.71
MOL2
O


ATOM
8442
N
CYS
E
107
42.282
−18.914
−93.084
1.00
140.88
MOL2
N


ATOM
8443
CA
CYS
E
107
43.436
−18.846
−92.187
1.00
141.09
MOL2
C


ATOM
8444
CB
CYS
E
107
44.184
−17.524
−92.394
1.00
144.81
MOL2
C


ATOM
8445
SG
CYS
E
107
44.506
−17.088
−94.132
1.00
150.21
MOL2
S


ATOM
8446
C
CYS
E
107
43.042
−18.969
−90.724
1.00
138.31
MOL2
C


ATOM
8447
O
CYS
E
107
43.869
−19.298
−89.874
1.00
134.91
MOL2
O


ATOM
8448
N
SER
E
108
41.775
−18.693
−90.439
1.00
137.79
MOL2
N


ATOM
8449
CA
SER
E
108
41.250
−18.761
−89.080
1.00
137.28
MOL2
C


ATOM
8450
CB
SER
E
108
40.115
−17.748
−88.935
1.00
136.25
MOL2
C


ATOM
8451
OG
SER
E
108
39.337
−17.709
−90.122
1.00
133.03
MOL2
O


ATOM
8452
C
SER
E
108
40.755
−20.164
−88.720
1.00
135.53
MOL2
C


ATOM
8453
O
SER
E
108
39.730
−20.316
−88.052
1.00
135.14
MOL2
O


ATOM
8454
N
VAL
E
109
41.498
−21.183
−89.150
1.00
133.48
MOL2
N


ATOM
8455
CA
VAL
E
109
41.126
−22.575
−88.886
1.00
127.95
MOL2
C


ATOM
8456
CB
VAL
E
109
41.530
−23.517
−90.053
1.00
126.09
MOL2
C


ATOM
8457
CG1
VAL
E
109
43.048
−23.621
−90.153
1.00
123.85
MOL2
C


ATOM
8458
CG2
VAL
E
109
40.930
−24.892
−89.832
1.00
122.13
MOL2
C


ATOM
8459
C
VAL
E
109
41.701
−23.170
−87.600
1.00
125.62
MOL2
C


ATOM
8460
O
VAL
E
109
42.902
−23.074
−87.318
1.00
125.31
MOL2
O


ATOM
8461
N
SER
E
110
40.817
−23.792
−86.828
1.00
121.03
MOL2
N


ATOM
8462
CA
SER
E
110
41.188
−24.438
−85.576
1.00
116.37
MOL2
C


ATOM
8463
CB
SER
E
110
40.598
−23.681
−84.380
1.00
118.52
MOL2
C


ATOM
8464
OG
SER
E
110
39.182
−23.629
−84.436
1.00
117.06
MOL2
O


ATOM
8465
C
SER
E
110
40.655
−25.869
−85.605
1.00
111.82
MOL2
C


ATOM
8466
O
SER
E
110
39.785
−26.195
−86.416
1.00
111.72
MOL2
O


ATOM
8467
N
PHE
E
111
41.179
−26.717
−84.724
1.00
103.94
MOL2
N


ATOM
8468
CA
PHE
E
111
40.768
−28.117
−84.647
1.00
94.38
MOL2
C


ATOM
8469
CB
PHE
E
111
41.935
−29.025
−84.994
1.00
95.39
MOL2
C


ATOM
8470
CG
PHE
E
111
42.360
−28.947
−86.413
1.00
96.16
MOL2
C


ATOM
8471
CD1
PHE
E
111
43.616
−29.383
−86.790
1.00
98.09
MOL2
C


ATOM
8472
CD2
PHE
E
111
41.498
−28.469
−87.380
1.00
98.78
MOL2
C


ATOM
8473
CE1
PHE
E
111
44.008
−29.345
−88.109
1.00
102.22
MOL2
C


ATOM
8474
CE2
PHE
E
111
41.880
−28.426
−88.705
1.00
102.39
MOL2
C


ATOM
8475
CZ
PHE
E
111
43.138
−28.865
−89.072
1.00
103.46
MOL2
C


ATOM
8476
C
PHE
E
111
40.325
−28.459
−83.246
1.00
89.06
MOL2
C


ATOM
8477
O
PHE
E
111
41.009
−28.124
−82.288
1.00
92.32
MOL2
O


ATOM
8478
N
GLN
E
112
39.205
−29.156
−83.125
1.00
83.17
MOL2
N


ATOM
8479
CA
GLN
E
112
38.696
−29.532
−81.813
1.00
84.29
MOL2
C


ATOM
8480
CB
GLN
E
112
37.455
−28.693
−81.507
1.00
86.73
MOL2
C


ATOM
8481
CG
GLN
E
112
36.813
−28.977
−80.171
1.00
90.55
MOL2
C


ATOM
8482
CD
GLN
E
112
35.873
−27.876
−79.748
1.00
91.46
MOL2
C


ATOM
8483
OE1
GLN
E
112
35.122
−27.334
−80.563
1.00
88.26
MOL2
O


ATOM
8484
NE2
GLN
E
112
35.901
−27.541
−78.462
1.00
97.18
MOL2
N


ATOM
8485
C
GLN
E
112
38.376
−31.031
−81.738
1.00
82.43
MOL2
C


ATOM
8486
O
GLN
E
112
37.858
−31.602
−82.695
1.00
77.70
MOL2
O


ATOM
8487
N
LEU
E
113
38.685
−31.662
−80.602
1.00
80.30
MOL2
N


ATOM
8488
CA
LEU
E
113
38.437
−33.100
−80.425
1.00
74.22
MOL2
C


ATOM
8489
CB
LEU
E
113
39.433
−33.709
−79.433
1.00
66.96
MOL2
C


ATOM
8490
CG
LEU
E
113
40.872
−33.756
−79.932
1.00
65.93
MOL2
C


ATOM
8491
CD1
LEU
E
113
41.740
−34.570
−79.004
1.00
55.44
MOL2
C


ATOM
8492
CD2
LEU
E
113
40.868
−34.357
−81.321
1.00
66.02
MOL2
C


ATOM
8493
C
LEU
E
113
37.043
−33.448
−79.954
1.00
72.97
MOL2
C


ATOM
8494
O
LEU
E
113
36.702
−33.198
−78.803
1.00
80.24
MOL2
O


ATOM
8495
N
GLU
E
114
36.238
−34.032
−80.836
1.00
72.95
MOL2
N


ATOM
8496
CA
GLU
E
114
34.880
−34.440
−80.471
1.00
70.69
MOL2
C


ATOM
8497
CB
GLU
E
114
33.897
−34.241
−81.613
1.00
72.79
MOL2
C


ATOM
8498
CG
GLU
E
114
32.513
−34.748
−81.275
1.00
83.81
MOL2
C


ATOM
8499
CD
GLU
E
114
31.487
−34.412
−82.342
1.00
94.74
MOL2
C


ATOM
8500
OE1
GLU
E
114
30.303
−34.771
−82.148
1.00
100.33
MOL2
O


ATOM
8501
OE2
GLU
E
114
31.859
−33.793
−83.369
1.00
93.70
MOL2
O


ATOM
8502
C
GLU
E
114
34.872
−35.904
−80.088
1.00
66.76
MOL2
C


ATOM
8503
O
GLU
E
114
35.710
−36.679
−80.542
1.00
69.93
MOL2
O


ATOM
8504
N
LYS
E
115
33.911
−36.282
−79.260
1.00
61.81
MOL2
N


ATOM
8505
CA
LYS
E
115
33.806
−37.653
−78.787
1.00
60.98
MOL2
C


ATOM
8506
CB
LYS
E
115
33.812
−37.650
−77.262
1.00
58.52
MOL2
C


ATOM
8507
CG
LYS
E
115
34.286
−38.916
−76.620
1.00
61.92
MOL2
C


ATOM
8508
CD
LYS
E
115
34.557
−38.667
−75.152
1.00
67.44
MOL2
C


ATOM
8509
CE
LYS
E
115
35.260
−39.837
−74.498
1.00
75.96
MOL2
C


ATOM
8510
NZ
LYS
E
115
35.543
−39.532
−73.069
1.00
84.28
MOL2
N


ATOM
8511
C
LYS
E
115
32.515
−38.261
−79.306
1.00
59.27
MOL2
C


ATOM
8512
O
LYS
E
115
31.439
−37.736
−79.061
1.00
66.71
MOL2
O


ATOM
8513
N
VAL
E
116
32.605
−39.359
−80.041
1.00
56.90
MOL2
N


ATOM
8514
CA
VAL
E
116
31.392
−39.972
−80.556
1.00
53.33
MOL2
C


ATOM
8515
CB
VAL
E
116
31.273
−39.843
−82.094
1.00
51.59
MOL2
C


ATOM
8516
CG1
VAL
E
116
32.630
−39.693
−82.723
1.00
53.36
MOL2
C


ATOM
8517
CG2
VAL
E
116
30.569
−41.056
−82.652
1.00
52.36
MOL2
C


ATOM
8518
C
VAL
E
116
31.274
−41.422
−80.164
1.00
52.05
MOL2
C


ATOM
8519
O
VAL
E
116
32.259
−42.155
−80.144
1.00
49.32
MOL2
O


ATOM
8520
N
LEU
E
117
30.050
−41.819
−79.837
1.00
55.22
MOL2
N


ATOM
8521
CA
LEU
E
117
29.759
−43.183
−79.410
1.00
54.66
MOL2
C


ATOM
8522
CB
LEU
E
117
28.731
−43.149
−78.263
1.00
55.56
MOL2
C


ATOM
8523
CG
LEU
E
117
28.243
−44.328
−77.403
1.00
52.46
MOL2
C


ATOM
8524
CD1
LEU
E
117
26.836
−44.720
−77.799
1.00
48.83
MOL2
C


ATOM
8525
CD2
LEU
E
117
29.198
−45.482
−77.503
1.00
61.71
MOL2
C


ATOM
8526
C
LEU
E
117
29.211
−43.905
−80.620
1.00
51.02
MOL2
C


ATOM
8527
O
LEU
E
117
28.190
−43.497
−81.183
1.00
51.27
MOL2
O


ATOM
8528
N
VAL
E
118
29.901
−44.959
−81.042
1.00
43.55
MOL2
N


ATOM
8529
CA
VAL
E
118
29.430
−45.695
−82.201
1.00
43.29
MOL2
C


ATOM
8530
CB
VAL
E
118
30.409
−45.609
−83.389
1.00
34.40
MOL2
C


ATOM
8531
CG1
VAL
E
118
31.719
−45.019
−82.944
1.00
33.59
MOL2
C


ATOM
8532
CG2
VAL
E
118
30.587
−46.987
−83.997
1.00
28.61
MOL2
C


ATOM
8533
C
VAL
E
118
29.075
−47.154
−81.976
1.00
41.49
MOL2
C


ATOM
8534
O
VAL
E
118
29.663
−47.859
−81.164
1.00
43.98
MOL2
O


ATOM
8535
N
THR
E
119
28.069
−47.593
−82.703
1.00
38.79
MOL2
N


ATOM
8536
CA
THR
E
119
27.639
−48.950
−82.596
1.00
43.76
MOL2
C


ATOM
8537
CB
THR
E
119
26.170
−49.081
−82.858
1.00
47.34
MOL2
C


ATOM
8538
OG1
THR
E
119
25.448
−48.479
−81.780
1.00
54.24
MOL2
O


ATOM
8539
CG2
THR
E
119
25.796
−50.541
−82.985
1.00
48.29
MOL2
C


ATOM
8540
C
THR
E
119
28.386
−49.696
−83.658
1.00
50.94
MOL2
C


ATOM
8541
O
THR
E
119
28.091
−49.579
−84.847
1.00
56.95
MOL2
O


ATOM
8542
N
VAL
E
120
29.368
−50.466
−83.219
1.00
53.83
MOL2
N


ATOM
8543
CA
VAL
E
120
30.201
−51.243
−84.116
1.00
49.09
MOL2
C


ATOM
8544
CB
VAL
E
120
31.428
−51.728
−83.387
1.00
49.53
MOL2
C


ATOM
8545
CG1
VAL
E
120
32.415
−52.247
−84.370
1.00
58.28
MOL2
C


ATOM
8546
CG2
VAL
E
120
32.014
−50.597
−82.566
1.00
52.75
MOL2
C


ATOM
8547
C
VAL
E
120
29.490
−52.453
−84.701
1.00
46.16
MOL2
C


ATOM
8548
O
VAL
E
120
29.819
−52.906
−85.796
1.00
49.10
MOL2
O


ATOM
8549
N
GLY
E
121
28.518
−52.979
−83.970
1.00
44.37
MOL2
N


ATOM
8550
CA
GLY
E
121
27.789
−54.136
−84.457
1.00
46.49
MOL2
C


ATOM
8551
C
GLY
E
121
26.955
−54.812
−83.382
1.00
48.38
MOL2
C


ATOM
8552
O
GLY
E
121
26.834
−54.312
−82.263
1.00
53.22
MOL2
O


ATOM
8553
N
CYS
E
122
26.396
−55.967
−83.709
1.00
40.67
MOL2
N


ATOM
8554
CA
CYS
E
122
25.561
−56.680
−82.765
1.00
42.06
MOL2
C


ATOM
8555
C
CYS
E
122
26.093
−58.047
−82.405
1.00
43.02
MOL2
C


ATOM
8556
O
CYS
E
122
26.796
−58.667
−83.175
1.00
45.04
MOL2
O


ATOM
8557
CB
CYS
E
122
24.168
−56.806
−83.356
1.00
44.10
MOL2
C


ATOM
8558
SG
CYS
E
122
23.574
−55.152
−83.768
1.00
48.47
MOL2
S


ATOM
8559
N
THR
E
123
25.757
−58.507
−81.211
1.00
46.59
MOL2
N


ATOM
8560
CA
THR
E
123
26.184
−59.811
−80.753
1.00
44.87
MOL2
C


ATOM
8561
CB
THR
E
123
27.307
−59.719
−79.694
1.00
41.29
MOL2
C


ATOM
8562
OG1
THR
E
123
27.780
−61.036
−79.403
1.00
47.66
MOL2
O


ATOM
8563
CG2
THR
E
123
26.798
−59.090
−78.402
1.00
33.38
MOL2
C


ATOM
8564
C
THR
E
123
24.958
−60.436
−80.130
1.00
47.20
MOL2
C


ATOM
8565
O
THR
E
123
24.136
−59.735
−79.543
1.00
38.36
MOL2
O


ATOM
8566
N
CYS
E
124
24.829
−61.748
−80.270
1.00
53.73
MOL2
N


ATOM
8567
CA
CYS
E
124
23.684
−62.450
−79.712
1.00
62.27
MOL2
C


ATOM
8568
C
CYS
E
124
23.901
−62.856
−78.256
1.00
61.78
MOL2
C


ATOM
8569
O
CYS
E
124
24.773
−63.671
−77.959
1.00
60.46
MOL2
O


ATOM
8570
CB
CYS
E
124
23.379
−63.689
−80.548
1.00
70.88
MOL2
C


ATOM
8571
SG
CYS
E
124
22.062
−64.702
−79.822
1.00
84.89
MOL2
S


ATOM
8572
N
VAL
E
125
23.105
−62.292
−77.350
1.00
62.42
MOL2
N


ATOM
8573
CA
VAL
E
125
23.237
−62.611
−75.934
1.00
62.51
MOL2
C


ATOM
8574
CB
VAL
E
125
23.522
−61.368
−75.104
1.00
61.79
MOL2
C


ATOM
8575
CG1
VAL
E
125
24.824
−60.773
−75.542
1.00
69.24
MOL2
C


ATOM
8576
CG2
VAL
E
125
22.394
−60.367
−75.253
1.00
62.28
MOL2
C


ATOM
8577
C
VAL
E
125
22.011
−63.278
−75.342
1.00
62.04
MOL2
C


ATOM
8578
O
VAL
E
125
20.911
−63.189
−75.887
1.00
60.12
MOL2
O


ATOM
8579
N
THR
E
126
22.224
−63.952
−74.219
1.00
60.85
MOL2
N


ATOM
8580
CA
THR
E
126
21.167
−64.641
−73.509
1.00
63.22
MOL2
C


ATOM
8581
CB
THR
E
126
21.598
−66.086
−73.111
1.00
66.38
MOL2
C


ATOM
8582
OG1
THR
E
126
20.792
−66.548
−72.021
1.00
70.91
MOL2
O


ATOM
8583
CG2
THR
E
126
23.061
−66.131
−72.710
1.00
66.04
MOL2
C


ATOM
8584
C
THR
E
126
20.868
−63.820
−72.270
1.00
61.55
MOL2
C


ATOM
8585
O
THR
E
126
21.759
−63.546
−71.472
1.00
60.05
MOL2
O


ATOM
8586
N
PRO
E
127
19.603
−63.407
−72.100
1.00
63.20
MOL2
N


ATOM
8587
CD
PRO
E
127
18.407
−63.909
−72.793
1.00
63.34
MOL2
C


ATOM
8588
CA
PRO
E
127
19.227
−62.604
−70.936
1.00
65.60
MOL2
C


ATOM
8589
CB
PRO
E
127
17.716
−62.508
−71.059
1.00
64.20
MOL2
C


ATOM
8590
CG
PRO
E
127
17.365
−63.811
−71.718
1.00
67.87
MOL2
C


ATOM
8591
C
PRO
E
127
19.658
−63.289
−69.666
1.00
69.28
MOL2
C


ATOM
8592
O
PRO
E
127
19.838
−64.505
−69.650
1.00
69.92
MOL2
O


ATOM
8593
N
VAL
E
128
19.853
−62.499
−68.618
1.00
73.88
MOL2
N


ATOM
8594
CA
VAL
E
128
20.257
−63.017
−67.315
1.00
81.61
MOL2
C


ATOM
8595
CB
VAL
E
128
20.750
−61.857
−66.399
1.00
74.28
MOL2
C


ATOM
8596
CG1
VAL
E
128
21.333
−62.389
−65.117
1.00
69.48
MOL2
C


ATOM
8597
CG2
VAL
E
128
21.774
−61.034
−67.125
1.00
75.99
MOL2
C


ATOM
8598
C
VAL
E
128
19.015
−63.665
−66.693
1.00
90.59
MOL2
C


ATOM
8599
O
VAL
E
128
18.207
−62.983
−66.067
1.00
93.36
MOL2
O


ATOM
8600
N
ILE
E
129
18.844
−64.970
−66.877
1.00
100.93
MOL2
N


ATOM
8601
CA
ILE
E
129
17.677
−65.654
−66.319
1.00
111.73
MOL2
C


ATOM
8602
CB
ILE
E
129
17.392
−66.995
−67.036
1.00
115.39
MOL2
C


ATOM
8603
CG2
ILE
E
129
16.052
−67.555
−66.569
1.00
115.30
MOL2
C


ATOM
8604
CG1
ILE
E
129
17.365
−66.795
−68.554
1.00
119.20
MOL2
C


ATOM
8605
CD1
ILE
E
129
17.191
−68.094
−69.346
1.00
119.72
MOL2
C


ATOM
8606
C
ILE
E
129
17.936
−65.952
−64.851
1.00
118.58
MOL2
C


ATOM
8607
O
ILE
E
129
17.010
−66.180
−64.066
1.00
119.20
MOL2
O


ATOM
8608
N
HIS
E
130
19.218
−65.943
−64.505
1.00
127.54
MOL2
N


ATOM
8609
CA
HIS
E
130
19.681
−66.209
−63.152
1.00
134.90
MOL2
C


ATOM
8610
CB
HIS
E
130
21.217
−66.270
−63.153
1.00
140.06
MOL2
C


ATOM
8611
CG
HIS
E
130
21.805
−66.572
−64.503
1.00
142.96
MOL2
C


ATOM
8612
CD2
HIS
E
130
22.751
−65.927
−65.228
1.00
143.29
MOL2
C


ATOM
8613
ND1
HIS
E
130
21.389
−67.634
−65.280
1.00
142.37
MOL2
N


ATOM
8614
CE1
HIS
E
130
22.048
−67.627
−66.425
1.00
141.96
MOL2
C


ATOM
8615
NE2
HIS
E
130
22.881
−66.601
−66.419
1.00
143.30
MOL2
N


ATOM
8616
C
HIS
E
130
19.170
−65.099
−62.234
1.00
135.23
MOL2
C


ATOM
8617
O
HIS
E
130
19.423
−63.919
−62.469
1.00
131.96
MOL2
O


ATOM
8618
N
HIS
E
131
18.443
−65.490
−61.192
1.00
139.05
MOL2
N


ATOM
8619
CA
HIS
E
131
17.866
−64.539
−60.244
1.00
143.24
MOL2
C


ATOM
8620
CB
HIS
E
131
17.216
−65.302
−59.078
1.00
145.79
MOL2
C


ATOM
8621
CG
HIS
E
131
15.724
−65.174
−59.030
1.00
149.44
MOL2
C


ATOM
8622
CD2
HIS
E
131
14.901
−64.673
−58.076
1.00
151.04
MOL2
C


ATOM
8623
ND1
HIS
E
131
14.906
−65.581
−60.063
1.00
149.84
MOL2
N


ATOM
8624
CE1
HIS
E
131
13.646
−65.336
−59.749
1.00
150.96
MOL2
C


ATOM
8625
NE2
HIS
E
131
13.615
−64.785
−58.548
1.00
152.08
MOL2
N


ATOM
8626
C
HIS
E
131
18.797
−63.445
−59.688
1.00
141.97
MOL2
C


ATOM
8627
O
HIS
E
131
19.808
−63.071
−60.302
1.00
136.76
MOL2
O


ATOM
8628
N
VAL
E
132
18.426
−62.935
−58.516
1.00
141.68
MOL2
N


ATOM
8629
CA
VAL
E
132
19.171
−61.878
−57.839
1.00
142.44
MOL2
C


ATOM
8630
CB
VAL
E
132
18.212
−60.982
−57.024
1.00
140.65
MOL2
C


ATOM
8631
CG1
VAL
E
132
18.942
−59.736
−56.533
1.00
136.17
MOL2
C


ATOM
8632
CG2
VAL
E
132
16.999
−60.624
−57.869
1.00
138.71
MOL2
C


ATOM
8633
C
VAL
E
132
20.238
−62.424
−56.886
1.00
143.76
MOL2
C


ATOM
8634
O
VAL
E
132
19.918
−63.128
−55.924
1.00
141.93
MOL2
O


ATOM
8635
N
GLN
E
133
21.502
−62.093
−57.152
1.00
145.86
MOL2
N


ATOM
8636
CA
GLN
E
133
22.609
−62.542
−56.303
1.00
148.52
MOL2
C


ATOM
8637
CB
GLN
E
133
23.952
−62.350
−57.032
1.00
144.77
MOL2
C


ATOM
8638
CG
GLN
E
133
25.105
−63.232
−56.523
1.00
141.17
MOL2
C


ATOM
8639
CD
GLN
E
133
25.532
−62.927
−55.086
1.00
139.96
MOL2
C


ATOM
8640
OE1
GLN
E
133
25.939
−61.802
−54.766
1.00
136.60
MOL2
O


ATOM
8641
NE2
GLN
E
133
25.447
−63.934
−54.217
1.00
133.66
MOL2
N


ATOM
8642
C
GLN
E
133
22.597
−61.738
−54.987
1.00
151.27
MOL2
C


ATOM
8643
O
GLN
E
133
23.612
−61.068
−54.674
1.00
152.40
MOL2
O


ATOM
8644
OXT
GLN
E
133
21.560
−61.783
−54.281
1.00
153.34
MOL2
O


ATOM
8645
CB
ALA
G
1
6.918
−80.524
−18.660
1.00
91.84
MOL3
C


ATOM
8646
C
ALA
G
1
7.127
−79.369
−16.435
1.00
91.18
MOL3
C


ATOM
8647
O
ALA
G
1
6.816
−79.460
−15.244
1.00
95.13
MOL3
O


ATOM
8648
N
ALA
G
1
5.398
−78.657
−18.062
1.00
92.12
MOL3
N


ATOM
8649
CA
ALA
G
1
6.157
−79.816
−17.524
1.00
93.07
MOL3
C


ATOM
8650
N
ILE
G
2
8.294
−78.876
−16.837
1.00
84.94
MOL3
N


ATOM
8651
CA
ILE
G
2
9.285
−78.450
−15.863
1.00
79.05
MOL3
C


ATOM
8652
CB
ILE
G
2
10.438
−77.677
−16.498
1.00
76.63
MOL3
C


ATOM
8653
CG2
ILE
G
2
11.472
−77.343
−15.430
1.00
72.92
MOL3
C


ATOM
8654
CG1
ILE
G
2
11.081
−78.519
−17.602
1.00
77.29
MOL3
C


ATOM
8655
CD1
ILE
G
2
12.396
−77.976
−18.127
1.00
73.60
MOL3
C


ATOM
8656
C
ILE
G
2
8.649
−77.579
−14.815
1.00
77.42
MOL3
C


ATOM
8657
O
ILE
G
2
8.068
−76.549
−15.135
1.00
75.41
MOL3
O


ATOM
8658
N
GLN
G
3
8.745
−78.008
−13.562
1.00
78.74
MOL3
N


ATOM
8659
CA
GLN
G
3
8.166
−77.244
−12.469
1.00
84.91
MOL3
C


ATOM
8660
CB
GLN
G
3
7.195
−78.100
−11.649
1.00
95.45
MOL3
C


ATOM
8661
CG
GLN
G
3
5.769
−78.049
−12.184
1.00
107.19
MOL3
C


ATOM
8662
CD
GLN
G
3
4.794
−78.847
−11.350
1.00
114.04
MOL3
C


ATOM
8663
OE1
GLN
G
3
4.835
−80.079
−11.331
1.00
119.23
MOL3
O


ATOM
8664
NE2
GLN
G
3
3.907
−78.147
−10.647
1.00
117.58
MOL3
N


ATOM
8665
C
GLN
G
3
9.218
−76.624
−11.573
1.00
81.14
MOL3
C


ATOM
8666
O
GLN
G
3
10.046
−77.302
−10.971
1.00
81.04
MOL3
O


ATOM
8667
N
LEU
G
4
9.174
−75.306
−11.499
1.00
78.11
MOL3
N


ATOM
8668
CA
LEU
G
4
10.122
−74.565
−10.698
1.00
77.58
MOL3
C


ATOM
8669
CB
LEU
G
4
10.384
−73.206
−11.354
1.00
85.28
MOL3
C


ATOM
8670
CG
LEU
G
4
11.170
−73.309
−12.667
1.00
86.95
MOL3
C


ATOM
8671
CD1
LEU
G
4
10.859
−72.141
−13.580
1.00
87.02
MOL3
C


ATOM
8672
CD2
LEU
G
4
12.650
−73.373
−12.342
1.00
89.44
MOL3
C


ATOM
8673
C
LEU
G
4
9.612
−74.405
−9.278
1.00
73.04
MOL3
C


ATOM
8674
O
LEU
G
4
8.464
−74.046
−9.047
1.00
72.43
MOL3
O


ATOM
8675
N
THR
G
5
10.492
−74.653
−8.323
1.00
69.68
MOL3
N


ATOM
8676
CA
THR
G
5
10.120
−74.580
−6.928
1.00
68.17
MOL3
C


ATOM
8677
CB
THR
G
5
10.227
−75.975
−6.317
1.00
74.80
MOL3
C


ATOM
8678
OG1
THR
G
5
9.836
−76.945
−7.302
1.00
70.27
MOL3
O


ATOM
8679
CG2
THR
G
5
9.334
−76.094
−5.091
1.00
75.75
MOL3
C


ATOM
8680
C
THR
G
5
10.975
−73.611
−6.115
1.00
63.96
MOL3
C


ATOM
8681
O
THR
G
5
11.994
−73.984
−5.547
1.00
61.45
MOL3
O


ATOM
8682
N
GLN
G
6
10.554
−72.362
−6.056
1.00
63.21
MOL3
N


ATOM
8683
CA
GLN
G
6
11.283
−71.367
−5.296
1.00
67.36
MOL3
C


ATOM
8684
CB
GLN
G
6
10.688
−69.991
−5.509
1.00
71.70
MOL3
C


ATOM
8685
CG
GLN
G
6
10.886
−69.442
−6.880
1.00
70.50
MOL3
C


ATOM
8686
CD
GLN
G
6
10.194
−68.131
−7.015
1.00
72.30
MOL3
C


ATOM
8687
OE1
GLN
G
6
10.414
−67.219
−6.218
1.00
65.58
MOL3
O


ATOM
8688
NE2
GLN
G
6
9.335
−68.021
−8.015
1.00
78.17
MOL3
N


ATOM
8689
C
GLN
G
6
11.207
−71.698
−3.827
1.00
68.24
MOL3
C


ATOM
8690
O
GLN
G
6
10.354
−72.465
−3.416
1.00
72.35
MOL3
O


ATOM
8691
N
SER
G
7
12.079
−71.081
−3.036
1.00
70.04
MOL3
N


ATOM
8692
CA
SER
G
7
12.131
−71.326
−1.602
1.00
67.82
MOL3
C


ATOM
8693
CB
SER
G
7
12.558
−72.763
−1.365
1.00
76.29
MOL3
C


ATOM
8694
OG
SER
G
7
13.694
−73.063
−2.167
1.00
77.00
MOL3
O


ATOM
8695
C
SER
G
7
13.146
−70.412
−0.953
1.00
65.88
MOL3
C


ATOM
8696
O
SER
G
7
14.267
−70.284
−1.432
1.00
70.74
MOL3
O


ATOM
8697
N
PRO
G
8
12.771
−69.757
0.145
1.00
64.24
MOL3
N


ATOM
8698
CD
PRO
G
8
13.676
−68.911
0.941
1.00
64.90
MOL3
C


ATOM
8699
CA
PRO
G
8
11.457
−69.843
0.775
1.00
68.98
MOL3
C


ATOM
8700
CB
PRO
G
8
11.643
−69.027
2.054
1.00
69.10
MOL3
C


ATOM
8701
CG
PRO
G
8
12.716
−68.038
1.681
1.00
61.90
MOL3
C


ATOM
8702
C
PRO
G
8
10.374
−69.260
−0.117
1.00
71.03
MOL3
C


ATOM
8703
O
PRO
G
8
10.672
−68.720
−1.175
1.00
77.14
MOL3
O


ATOM
8704
N
SER
G
9
9.121
−69.378
0.310
1.00
70.20
MOL3
N


ATOM
8705
CA
SER
G
9
8.011
−68.826
−0.450
1.00
67.43
MOL3
C


ATOM
8706
CB
SER
G
9
6.728
−69.630
−0.215
1.00
68.38
MOL3
C


ATOM
8707
OG
SER
G
9
6.810
−70.906
−0.830
1.00
72.35
MOL3
O


ATOM
8708
C
SER
G
9
7.845
−67.417
0.066
1.00
62.26
MOL3
C


ATOM
8709
O
SER
G
9
7.467
−66.508
−0.664
1.00
67.60
MOL3
O


ATOM
8710
N
SER
G
10
8.137
−67.246
1.342
1.00
54.62
MOL3
N


ATOM
8711
CA
SER
G
10
8.053
−65.941
1.957
1.00
57.69
MOL3
C


ATOM
8712
CB
SER
G
10
6.832
−65.821
2.860
1.00
62.57
MOL3
C


ATOM
8713
OG
SER
G
10
6.836
−64.555
3.507
1.00
66.90
MOL3
O


ATOM
8714
C
SER
G
10
9.309
−65.799
2.780
1.00
57.88
MOL3
C


ATOM
8715
O
SER
G
10
10.072
−66.754
2.905
1.00
55.54
MOL3
O


ATOM
8716
N
LEU
G
11
9.512
−64.625
3.365
1.00
56.79
MOL3
N


ATOM
8717
CA
LEU
G
11
10.727
−64.386
4.125
1.00
58.29
MOL3
C


ATOM
8718
CB
LEU
G
11
11.905
−64.647
3.192
1.00
54.73
MOL3
C


ATOM
8719
CG
LEU
G
11
13.362
−64.319
3.495
1.00
60.88
MOL3
C


ATOM
8720
CD1
LEU
G
11
14.124
−64.570
2.206
1.00
58.03
MOL3
C


ATOM
8721
CD2
LEU
G
11
13.567
−62.880
3.951
1.00
57.82
MOL3
C


ATOM
8722
C
LEU
G
11
10.771
−62.942
4.610
1.00
62.20
MOL3
C


ATOM
8723
O
LEU
G
11
10.544
−62.014
3.829
1.00
62.91
MOL3
O


ATOM
8724
N
SER
G
12
11.068
−62.736
5.886
1.00
62.61
MOL3
N


ATOM
8725
CA
SER
G
12
11.144
−61.373
6.367
1.00
67.16
MOL3
C


ATOM
8726
CB
SER
G
12
10.332
−61.206
7.641
1.00
73.51
MOL3
C


ATOM
8727
OG
SER
G
12
9.834
−59.880
7.724
1.00
82.94
MOL3
O


ATOM
8728
C
SER
G
12
12.602
−61.041
6.612
1.00
68.56
MOL3
C


ATOM
8729
O
SER
G
12
13.360
−61.877
7.096
1.00
73.77
MOL3
O


ATOM
8730
N
ALA
G
13
13.001
−59.830
6.242
1.00
67.01
MOL3
N


ATOM
8731
CA
ALA
G
13
14.378
−59.401
6.429
1.00
65.17
MOL3
C


ATOM
8732
CB
ALA
G
13
15.219
−59.770
5.229
1.00
62.47
MOL3
C


ATOM
8733
C
ALA
G
13
14.404
−57.906
6.653
1.00
67.37
MOL3
C


ATOM
8734
O
ALA
G
13
13.370
−57.240
6.537
1.00
66.94
MOL3
O


ATOM
8735
N
SER
G
14
15.581
−57.386
7.000
1.00
70.46
MOL3
N


ATOM
8736
CA
SER
G
14
15.736
−55.954
7.247
1.00
70.22
MOL3
C


ATOM
8737
CB
SER
G
14
16.066
−55.692
8.730
1.00
72.47
MOL3
C


ATOM
8738
OG
SER
G
14
16.879
−56.718
9.296
1.00
81.85
MOL3
O


ATOM
8739
C
SER
G
14
16.779
−55.330
6.315
1.00
64.57
MOL3
C


ATOM
8740
O
SER
G
14
17.643
−56.023
5.764
1.00
56.15
MOL3
O


ATOM
8741
N
VAL
G
15
16.649
−54.025
6.106
1.00
61.18
MOL3
N


ATOM
8742
CA
VAL
G
15
17.553
−53.280
5.248
1.00
61.26
MOL3
C


ATOM
8743
CB
VAL
G
15
17.486
−51.785
5.572
1.00
62.15
MOL3
C


ATOM
8744
CG1
VAL
G
15
16.808
−51.037
4.467
1.00
62.23
MOL3
C


ATOM
8745
CG2
VAL
G
15
16.734
−51.584
6.889
1.00
68.77
MOL3
C


ATOM
8746
C
VAL
G
15
18.982
−53.735
5.494
1.00
65.74
MOL3
C


ATOM
8747
O
VAL
G
15
19.430
−53.803
6.643
1.00
66.93
MOL3
O


ATOM
8748
N
GLY
G
16
19.700
−54.048
4.423
1.00
66.48
MOL3
N


ATOM
8749
CA
GLY
G
16
21.077
−54.468
4.578
1.00
63.83
MOL3
C


ATOM
8750
C
GLY
G
16
21.273
−55.964
4.519
1.00
62.52
MOL3
C


ATOM
8751
O
GLY
G
16
22.256
−56.437
3.950
1.00
69.68
MOL3
O


ATOM
8752
N
ASP
G
17
20.348
−56.716
5.096
1.00
57.89
MOL3
N


ATOM
8753
CA
ASP
G
17
20.473
−58.169
5.087
1.00
64.37
MOL3
C


ATOM
8754
CB
ASP
G
17
19.154
−58.817
5.558
1.00
78.26
MOL3
C


ATOM
8755
CG
ASP
G
17
18.807
−58.490
7.027
1.00
85.13
MOL3
C


ATOM
8756
OD1
ASP
G
17
17.831
−59.081
7.553
1.00
81.20
MOL3
O


ATOM
8757
OD2
ASP
G
17
19.499
−57.649
7.650
1.00
88.96
MOL3
O


ATOM
8758
C
ASP
G
17
20.876
−58.723
3.706
1.00
58.61
MOL3
C


ATOM
8759
O
ASP
G
17
20.709
−58.066
2.687
1.00
57.95
MOL3
O


ATOM
8760
N
ARG
G
18
21.437
−59.924
3.684
1.00
56.36
MOL3
N


ATOM
8761
CA
ARG
G
18
21.837
−60.546
2.431
1.00
60.67
MOL3
C


ATOM
8762
CB
ARG
G
18
23.250
−61.136
2.540
1.00
63.66
MOL3
C


ATOM
8763
CG
ARG
G
18
23.639
−62.143
1.444
1.00
62.43
MOL3
C


ATOM
8764
CD
ARG
G
18
25.081
−61.935
0.971
1.00
69.18
MOL3
C


ATOM
8765
NE
ARG
G
18
25.821
−63.190
0.872
1.00
82.75
MOL3
N


ATOM
8766
CZ
ARG
G
18
25.481
−64.218
0.093
1.00
93.44
MOL3
C


ATOM
8767
NH1
ARG
G
18
24.402
−64.152
−0.674
1.00
100.10
MOL3
N


ATOM
8768
NH2
ARG
G
18
26.218
−65.325
0.089
1.00
99.11
MOL3
N


ATOM
8769
C
ARG
G
18
20.833
−61.642
2.119
1.00
64.02
MOL3
C


ATOM
8770
O
ARG
G
18
21.063
−62.815
2.420
1.00
68.60
MOL3
O


ATOM
8771
N
VAL
G
19
19.715
−61.248
1.517
1.00
62.61
MOL3
N


ATOM
8772
CA
VAL
G
19
18.658
−62.187
1.170
1.00
58.01
MOL3
C


ATOM
8773
CB
VAL
G
19
17.400
−61.444
0.737
1.00
61.47
MOL3
C


ATOM
8774
CG1
VAL
G
19
16.274
−62.444
0.537
1.00
62.19
MOL3
C


ATOM
8775
CG2
VAL
G
19
17.040
−60.364
1.775
1.00
52.69
MOL3
C


ATOM
8776
C
VAL
G
19
19.069
−63.145
0.057
1.00
55.13
MOL3
C


ATOM
8777
O
VAL
G
19
19.856
−62.795
−0.815
1.00
58.93
MOL3
O


ATOM
8778
N
THR
G
20
18.532
−64.355
0.086
1.00
51.84
MOL3
N


ATOM
8779
CA
THR
G
20
18.872
−65.341
−0.924
1.00
54.45
MOL3
C


ATOM
8780
CB
THR
G
20
20.012
−66.222
−0.441
1.00
55.50
MOL3
C


ATOM
8781
OG1
THR
G
20
21.151
−65.402
−0.164
1.00
55.70
MOL3
O


ATOM
8782
CG2
THR
G
20
20.348
−67.288
−1.488
1.00
51.26
MOL3
C


ATOM
8783
C
THR
G
20
17.689
−66.237
−1.258
1.00
57.97
MOL3
C


ATOM
8784
O
THR
G
20
17.187
−66.967
−0.398
1.00
65.17
MOL3
O


ATOM
8785
N
ILE
G
21
17.248
−66.183
−2.510
1.00
54.89
MOL3
N


ATOM
8786
CA
ILE
G
21
16.118
−66.990
−2.963
1.00
53.86
MOL3
C


ATOM
8787
CB
ILE
G
21
15.148
−66.196
−3.876
1.00
49.43
MOL3
C


ATOM
8788
CG2
ILE
G
21
13.760
−66.820
−3.803
1.00
49.67
MOL3
C


ATOM
8789
CG1
ILE
G
21
15.096
−64.724
−3.466
1.00
36.38
MOL3
C


ATOM
8790
CD1
ILE
G
21
14.613
−64.517
−2.105
1.00
25.30
MOL3
C


ATOM
8791
C
ILE
G
21
16.655
−68.138
−3.795
1.00
54.41
MOL3
C


ATOM
8792
O
ILE
G
21
17.677
−67.997
−4.453
1.00
59.19
MOL3
O


ATOM
8793
N
THR
G
22
15.965
−69.267
−3.786
1.00
51.44
MOL3
N


ATOM
8794
CA
THR
G
22
16.423
−70.396
−4.565
1.00
53.57
MOL3
C


ATOM
8795
CB
THR
G
22
16.757
−71.541
−3.683
1.00
50.35
MOL3
C


ATOM
8796
OG1
THR
G
22
17.501
−71.057
−2.564
1.00
57.43
MOL3
O


ATOM
8797
CG2
THR
G
22
17.575
−72.545
−4.442
1.00
54.90
MOL3
C


ATOM
8798
C
THR
G
22
15.323
−70.821
−5.492
1.00
61.94
MOL3
C


ATOM
8799
O
THR
G
22
14.166
−70.484
−5.261
1.00
71.19
MOL3
O


ATOM
8800
N
CYS
G
23
15.667
−71.576
−6.529
1.00
63.01
MOL3
N


ATOM
8801
CA
CYS
G
23
14.667
−72.003
−7.487
1.00
69.22
MOL3
C


ATOM
8802
C
CYS
G
23
15.061
−73.319
−8.108
1.00
73.52
MOL3
C


ATOM
8803
O
CYS
G
23
15.566
−73.342
−9.219
1.00
76.20
MOL3
O


ATOM
8804
CB
CYS
G
23
14.532
−70.935
−8.570
1.00
72.22
MOL3
C


ATOM
8805
SG
CYS
G
23
13.397
−71.266
−9.964
1.00
89.83
MOL3
S


ATOM
8806
N
ARG
G
24
14.840
−74.415
−7.390
1.00
81.91
MOL3
N


ATOM
8807
CA
ARG
G
24
15.165
−75.740
−7.914
1.00
84.07
MOL3
C


ATOM
8808
CB
ARG
G
24
15.182
−76.773
−6.790
1.00
90.97
MOL3
C


ATOM
8809
CG
ARG
G
24
16.189
−76.490
−5.693
1.00
101.39
MOL3
C


ATOM
8810
CD
ARG
G
24
16.499
−77.754
−4.906
1.00
113.69
MOL3
C


ATOM
8811
NE
ARG
G
24
17.186
−78.751
−5.731
1.00
124.74
MOL3
N


ATOM
8812
CZ
ARG
G
24
16.599
−79.545
−6.627
1.00
128.78
MOL3
C


ATOM
8813
NH1
ARG
G
24
15.288
−79.483
−6.833
1.00
129.96
MOL3
N


ATOM
8814
NH2
ARG
G
24
17.331
−80.405
−7.329
1.00
129.99
MOL3
N


ATOM
8815
C
ARG
G
24
14.122
−76.122
−8.969
1.00
79.77
MOL3
C


ATOM
8816
O
ARG
G
24
12.957
−75.732
−8.873
1.00
75.21
MOL3
O


ATOM
8817
N
ALA
G
25
14.531
−76.883
−9.976
1.00
76.22
MOL3
N


ATOM
8818
CA
ALA
G
25
13.595
−77.248
−11.023
1.00
79.16
MOL3
C


ATOM
8819
CB
ALA
G
25
13.835
−76.383
−12.226
1.00
78.01
MOL3
C


ATOM
8820
C
ALA
G
25
13.581
−78.715
−11.440
1.00
84.40
MOL3
C


ATOM
8821
O
ALA
G
25
14.625
−79.356
−11.562
1.00
83.67
MOL3
O


ATOM
8822
N
ASP
G
26
12.367
−79.214
−11.678
1.00
89.59
MOL3
N


ATOM
8823
CA
ASP
G
26
12.110
−80.591
−12.088
1.00
93.62
MOL3
C


ATOM
8824
CB
ASP
G
26
10.775
−80.669
−12.843
1.00
101.41
MOL3
C


ATOM
8825
CG
ASP
G
26
10.495
−82.060
−13.411
1.00
111.44
MOL3
C


ATOM
8826
OD1
ASP
G
26
9.615
−82.184
−14.292
1.00
113.51
MOL3
O


ATOM
8827
OD2
ASP
G
26
11.147
−83.034
−12.975
1.00
119.43
MOL3
O


ATOM
8828
C
ASP
G
26
13.216
−81.194
−12.947
1.00
93.33
MOL3
C


ATOM
8829
O
ASP
G
26
13.965
−82.052
−12.486
1.00
92.24
MOL3
O


ATOM
8830
N
GLU
G
27
13.308
−80.746
−14.193
1.00
95.09
MOL3
N


ATOM
8831
CA
GLU
G
27
14.305
−81.246
−15.131
1.00
100.09
MOL3
C


ATOM
8832
CB
GLU
G
27
13.644
−81.419
−16.503
1.00
101.62
MOL3
C


ATOM
8833
CG
GLU
G
27
14.321
−82.407
−17.439
1.00
110.10
MOL3
C


ATOM
8834
CD
GLU
G
27
13.460
−82.729
−18.653
1.00
113.57
MOL3
C


ATOM
8835
OE1
GLU
G
27
13.874
−83.559
−19.493
1.00
117.99
MOL3
O


ATOM
8836
OE2
GLU
G
27
12.362
−82.149
−18.768
1.00
112.12
MOL3
O


ATOM
8837
C
GLU
G
27
15.491
−80.272
−15.204
1.00
102.38
MOL3
C


ATOM
8838
O
GLU
G
27
15.726
−79.506
−14.261
1.00
102.53
MOL3
O


ATOM
8839
N
SER
G
28
16.241
−80.307
−16.309
1.00
102.36
MOL3
N


ATOM
8840
CA
SER
G
28
17.393
−79.415
−16.486
1.00
98.93
MOL3
C


ATOM
8841
CB
SER
G
28
18.624
−80.183
−16.975
1.00
102.05
MOL3
C


ATOM
8842
OG
SER
G
28
19.726
−79.304
−17.163
1.00
94.87
MOL3
O


ATOM
8843
C
SER
G
28
17.085
−78.312
−17.482
1.00
94.49
MOL3
C


ATOM
8844
O
SER
G
28
16.481
−78.562
−18.524
1.00
96.23
MOL3
O


ATOM
8845
N
VAL
G
29
17.508
−77.094
−17.167
1.00
88.27
MOL3
N


ATOM
8846
CA
VAL
G
29
17.258
−75.968
−18.055
1.00
83.41
MOL3
C


ATOM
8847
CB
VAL
G
29
16.364
−74.915
−17.382
1.00
80.02
MOL3
C


ATOM
8848
CG1
VAL
G
29
14.928
−75.363
−17.436
1.00
81.55
MOL3
C


ATOM
8849
CG2
VAL
G
29
16.790
−74.709
−15.943
1.00
71.21
MOL3
C


ATOM
8850
C
VAL
G
29
18.514
−75.275
−18.574
1.00
84.10
MOL3
C


ATOM
8851
O
VAL
G
29
18.437
−74.486
−19.508
1.00
87.75
MOL3
O


ATOM
8852
N
THR
G
30
19.663
−75.565
−17.968
1.00
81.73
MOL3
N


ATOM
8853
CA
THR
G
30
20.943
−74.976
−18.374
1.00
76.67
MOL3
C


ATOM
8854
CB
THR
G
30
21.601
−75.705
−19.555
1.00
83.22
MOL3
C


ATOM
8855
OG1
THR
G
30
20.730
−75.655
−20.701
1.00
75.07
MOL3
O


ATOM
8856
CG2
THR
G
30
21.946
−77.140
−19.177
1.00
94.30
MOL3
C


ATOM
8857
C
THR
G
30
20.896
−73.540
−18.824
1.00
74.85
MOL3
C


ATOM
8858
O
THR
G
30
20.438
−73.240
−19.933
1.00
77.39
MOL3
O


ATOM
8859
N
THR
G
31
21.405
−72.656
−17.981
1.00
68.57
MOL3
N


ATOM
8860
CA
THR
G
31
21.475
−71.231
−18.307
1.00
60.87
MOL3
C


ATOM
8861
CB
THR
G
31
22.583
−70.972
−19.361
1.00
54.59
MOL3
C


ATOM
8862
OG1
THR
G
31
22.166
−71.434
−20.654
1.00
39.54
MOL3
O


ATOM
8863
CG2
THR
G
31
23.847
−71.704
−18.963
1.00
51.28
MOL3
C


ATOM
8864
C
THR
G
31
20.186
−70.510
−18.754
1.00
57.16
MOL3
C


ATOM
8865
O
THR
G
31
20.115
−69.275
−18.671
1.00
52.70
MOL3
O


ATOM
8866
N
LEU
G
32
19.174
−71.249
−19.215
1.00
44.36
MOL3
N


ATOM
8867
CA
LEU
G
32
17.950
−70.589
−19.617
1.00
41.23
MOL3
C


ATOM
8868
CB
LEU
G
32
17.260
−71.357
−20.743
1.00
35.40
MOL3
C


ATOM
8869
CG
LEU
G
32
17.627
−70.692
−22.077
1.00
37.32
MOL3
C


ATOM
8870
CD1
LEU
G
32
19.134
−70.555
−22.091
1.00
36.21
MOL3
C


ATOM
8871
CD2
LEU
G
32
17.120
−71.459
−23.306
1.00
25.34
MOL3
C


ATOM
8872
C
LEU
G
32
16.990
−70.320
−18.463
1.00
42.25
MOL3
C


ATOM
8873
O
LEU
G
32
15.784
−70.530
−18.573
1.00
47.72
MOL3
O


ATOM
8874
N
MET
G
33
17.542
−69.830
−17.359
1.00
39.62
MOL3
N


ATOM
8875
CA
MET
G
33
16.760
−69.493
−16.189
1.00
43.39
MOL3
C


ATOM
8876
CB
MET
G
33
17.405
−70.114
−14.953
1.00
44.25
MOL3
C


ATOM
8877
CG
MET
G
33
16.639
−69.918
−13.643
1.00
63.10
MOL3
C


ATOM
8878
SD
MET
G
33
14.963
−70.591
−13.654
1.00
80.75
MOL3
S


ATOM
8879
CE
MET
G
33
15.180
−72.028
−14.730
1.00
76.36
MOL3
C


ATOM
8880
C
MET
G
33
16.792
−67.967
−16.116
1.00
48.11
MOL3
C


ATOM
8881
O
MET
G
33
17.819
−67.360
−16.400
1.00
55.26
MOL3
O


ATOM
8882
N
HIS
G
34
15.674
−67.346
−15.748
1.00
46.45
MOL3
N


ATOM
8883
CA
HIS
G
34
15.601
−65.896
−15.665
1.00
43.17
MOL3
C


ATOM
8884
CB
HIS
G
34
14.799
−65.393
−16.850
1.00
40.62
MOL3
C


ATOM
8885
CG
HIS
G
34
15.128
−66.084
−18.132
1.00
37.95
MOL3
C


ATOM
8886
CD2
HIS
G
34
14.343
−66.733
−19.023
1.00
45.85
MOL3
C


ATOM
8887
ND1
HIS
G
34
16.404
−66.127
−18.646
1.00
43.97
MOL3
N


ATOM
8888
CE1
HIS
G
34
16.391
−66.768
−19.802
1.00
43.56
MOL3
C


ATOM
8889
NE2
HIS
G
34
15.152
−67.146
−20.055
1.00
44.43
MOL3
N


ATOM
8890
C
HIS
G
34
14.922
−65.461
−14.363
1.00
45.87
MOL3
C


ATOM
8891
O
HIS
G
34
14.261
−66.267
−13.724
1.00
51.04
MOL3
O


ATOM
8892
N
TRP
G
35
15.080
−64.198
−13.967
1.00
45.08
MOL3
N


ATOM
8893
CA
TRP
G
35
14.441
−63.712
−12.745
1.00
45.19
MOL3
C


ATOM
8894
CB
TRP
G
35
15.456
−63.497
−11.619
1.00
48.06
MOL3
C


ATOM
8895
CG
TRP
G
35
16.068
−64.764
−11.109
1.00
56.84
MOL3
C


ATOM
8896
CD2
TRP
G
35
15.642
−65.535
−9.977
1.00
60.98
MOL3
C


ATOM
8897
CE2
TRP
G
35
16.460
−66.675
−9.918
1.00
62.91
MOL3
C


ATOM
8898
CE3
TRP
G
35
14.646
−65.374
−9.013
1.00
62.34
MOL3
C


ATOM
8899
CD1
TRP
G
35
17.098
−65.450
−11.666
1.00
61.49
MOL3
C


ATOM
8900
NE1
TRP
G
35
17.343
−66.599
−10.961
1.00
64.24
MOL3
N


ATOM
8901
CZ2
TRP
G
35
16.314
−67.650
−8.935
1.00
61.50
MOL3
C


ATOM
8902
CZ3
TRP
G
35
14.505
−66.342
−8.041
1.00
65.72
MOL3
C


ATOM
8903
CH2
TRP
G
35
15.335
−67.467
−8.009
1.00
60.76
MOL3
C


ATOM
8904
C
TRP
G
35
13.697
−62.421
−12.989
1.00
46.63
MOL3
C


ATOM
8905
O
TRP
G
35
14.182
−61.542
−13.701
1.00
55.62
MOL3
O


ATOM
8906
N
TYR
G
36
12.517
−62.318
−12.388
1.00
39.63
MOL3
N


ATOM
8907
CA
TYR
G
36
11.669
−61.145
−12.521
1.00
40.41
MOL3
C


ATOM
8908
CB
TYR
G
36
10.385
−61.506
−13.229
1.00
31.06
MOL3
C


ATOM
8909
CG
TYR
G
36
10.585
−61.970
−14.621
1.00
30.83
MOL3
C


ATOM
8910
CD1
TYR
G
36
10.547
−61.073
−15.664
1.00
32.67
MOL3
C


ATOM
8911
CE1
TYR
G
36
10.677
−61.501
−16.959
1.00
40.12
MOL3
C


ATOM
8912
CD2
TYR
G
36
10.772
−63.315
−14.905
1.00
28.80
MOL3
C


ATOM
8913
CE2
TYR
G
36
10.906
−63.755
−16.191
1.00
25.97
MOL3
C


ATOM
8914
CZ
TYR
G
36
10.855
−62.843
−17.217
1.00
36.74
MOL3
C


ATOM
8915
OH
TYR
G
36
10.967
−63.246
−18.526
1.00
47.56
MOL3
O


ATOM
8916
C
TYR
G
36
11.307
−60.652
−11.141
1.00
41.90
MOL3
C


ATOM
8917
O
TYR
G
36
11.337
−61.415
−10.187
1.00
42.96
MOL3
O


ATOM
8918
N
GLN
G
37
10.939
−59.382
−11.044
1.00
39.72
MOL3
N


ATOM
8919
CA
GLN
G
37
10.559
−58.806
−9.775
1.00
38.19
MOL3
C


ATOM
8920
CB
GLN
G
37
11.556
−57.735
−9.379
1.00
35.77
MOL3
C


ATOM
8921
CG
GLN
G
37
11.420
−57.270
−7.963
1.00
39.74
MOL3
C


ATOM
8922
CD
GLN
G
37
11.640
−55.792
−7.837
1.00
44.01
MOL3
C


ATOM
8923
OE1
GLN
G
37
12.251
−55.330
−6.872
1.00
49.05
MOL3
O


ATOM
8924
NE2
GLN
G
37
11.127
−55.027
−8.807
1.00
35.77
MOL3
N


ATOM
8925
C
GLN
G
37
9.194
−58.179
−9.974
1.00
43.08
MOL3
C


ATOM
8926
O
GLN
G
37
8.907
−57.649
−11.042
1.00
49.64
MOL3
O


ATOM
8927
N
GLN
G
38
8.343
−58.235
−8.956
1.00
42.91
MOL3
N


ATOM
8928
CA
GLN
G
38
7.011
−57.652
−9.071
1.00
40.05
MOL3
C


ATOM
8929
CB
GLN
G
38
5.996
−58.730
−9.415
1.00
32.88
MOL3
C


ATOM
8930
CG
GLN
G
38
4.633
−58.160
−9.709
1.00
40.34
MOL3
C


ATOM
8931
CD
GLN
G
38
3.682
−59.179
−10.278
1.00
38.95
MOL3
C


ATOM
8932
OE1
GLN
G
38
2.708
−58.839
−10.942
1.00
37.89
MOL3
O


ATOM
8933
NE2
GLN
G
38
3.954
−60.437
−10.011
1.00
48.71
MOL3
N


ATOM
8934
C
GLN
G
38
6.568
−56.985
−7.784
1.00
40.19
MOL3
C


ATOM
8935
O
GLN
G
38
6.453
−57.637
−6.760
1.00
42.15
MOL3
O


ATOM
8936
N
LYS
G
39
6.316
−55.687
−7.820
1.00
42.89
MOL3
N


ATOM
8937
CA
LYS
G
39
5.873
−55.016
−6.608
1.00
42.63
MOL3
C


ATOM
8938
CB
LYS
G
39
6.290
−53.544
−6.623
1.00
42.81
MOL3
C


ATOM
8939
CG
LYS
G
39
7.790
−53.298
−6.780
1.00
48.90
MOL3
C


ATOM
8940
CD
LYS
G
39
8.493
−53.118
−5.449
1.00
57.46
MOL3
C


ATOM
8941
CE
LYS
G
39
9.485
−51.945
−5.486
1.00
65.19
MOL3
C


ATOM
8942
NZ
LYS
G
39
10.555
−52.099
−6.529
1.00
76.82
MOL3
N


ATOM
8943
C
LYS
G
39
4.364
−55.152
−6.635
1.00
42.94
MOL3
C


ATOM
8944
O
LYS
G
39
3.811
−55.538
−7.645
1.00
44.17
MOL3
O


ATOM
8945
N
PRO
G
40
3.677
−54.848
−5.524
1.00
50.24
MOL3
N


ATOM
8946
CD
PRO
G
40
4.209
−54.444
−4.213
1.00
57.50
MOL3
C


ATOM
8947
CA
PRO
G
40
2.216
−54.955
−5.472
1.00
48.69
MOL3
C


ATOM
8948
CB
PRO
G
40
1.885
−54.630
−4.022
1.00
46.58
MOL3
C


ATOM
8949
CG
PRO
G
40
3.138
−54.939
−3.284
1.00
56.38
MOL3
C


ATOM
8950
C
PRO
G
40
1.549
−53.956
−6.391
1.00
51.16
MOL3
C


ATOM
8951
O
PRO
G
40
1.821
−52.762
−6.307
1.00
51.34
MOL3
O


ATOM
8952
N
GLY
G
41
0.678
−54.445
−7.266
1.00
54.84
MOL3
N


ATOM
8953
CA
GLY
G
41
−0.040
−53.557
−8.159
1.00
59.57
MOL3
C


ATOM
8954
C
GLY
G
41
0.581
−53.345
−9.516
1.00
61.10
MOL3
C


ATOM
8955
O
GLY
G
41
−0.127
−53.227
−10.519
1.00
66.90
MOL3
O


ATOM
8956
N
LYS
G
42
1.903
−53.281
−9.552
1.00
57.43
MOL3
N


ATOM
8957
CA
LYS
G
42
2.614
−53.087
−10.800
1.00
60.62
MOL3
C


ATOM
8958
CB
LYS
G
42
3.954
−52.407
−10.501
1.00
67.78
MOL3
C


ATOM
8959
CG
LYS
G
42
3.805
−51.137
−9.658
1.00
79.31
MOL3
C


ATOM
8960
CD
LYS
G
42
2.668
−50.248
−10.189
1.00
90.76
MOL3
C


ATOM
8961
CE
LYS
G
42
2.420
−49.007
−9.321
1.00
96.21
MOL3
C


ATOM
8962
NZ
LYS
G
42
3.581
−48.062
−9.275
1.00
99.49
MOL3
N


ATOM
8963
C
LYS
G
42
2.813
−54.442
−11.513
1.00
58.76
MOL3
C


ATOM
8964
O
LYS
G
42
2.462
−55.490
−10.968
1.00
56.71
MOL3
O


ATOM
8965
N
ALA
G
43
3.357
−54.430
−12.728
1.00
54.02
MOL3
N


ATOM
8966
CA
ALA
G
43
3.566
−55.671
−13.455
1.00
42.73
MOL3
C


ATOM
8967
CB
ALA
G
43
3.259
−55.471
−14.894
1.00
43.30
MOL3
C


ATOM
8968
C
ALA
G
43
4.986
−56.164
−13.305
1.00
44.91
MOL3
C


ATOM
8969
O
ALA
G
43
5.878
−55.417
−12.918
1.00
48.07
MOL3
O


ATOM
8970
N
PRO
G
44
5.216
−57.447
−13.603
1.00
45.65
MOL3
N


ATOM
8971
CD
PRO
G
44
4.228
−58.435
−14.084
1.00
44.36
MOL3
C


ATOM
8972
CA
PRO
G
44
6.552
−58.037
−13.504
1.00
42.93
MOL3
C


ATOM
8973
CB
PRO
G
44
6.403
−59.338
−14.293
1.00
42.13
MOL3
C


ATOM
8974
CG
PRO
G
44
4.989
−59.738
−14.004
1.00
38.67
MOL3
C


ATOM
8975
C
PRO
G
44
7.587
−57.112
−14.130
1.00
42.72
MOL3
C


ATOM
8976
O
PRO
G
44
7.255
−56.267
−14.953
1.00
53.64
MOL3
O


ATOM
8977
N
LYS
G
45
8.840
−57.280
−13.750
1.00
41.95
MOL3
N


ATOM
8978
CA
LYS
G
45
9.925
−56.471
−14.287
1.00
39.52
MOL3
C


ATOM
8979
CB
LYS
G
45
10.189
−55.278
−13.359
1.00
42.39
MOL3
C


ATOM
8980
CG
LYS
G
45
11.621
−54.772
−13.365
1.00
66.59
MOL3
C


ATOM
8981
CD
LYS
G
45
12.081
−54.429
−14.790
1.00
87.61
MOL3
C


ATOM
8982
CE
LYS
G
45
13.540
−53.949
−14.837
1.00
89.77
MOL3
C


ATOM
8983
NZ
LYS
G
45
13.975
−53.701
−16.246
1.00
86.88
MOL3
N


ATOM
8984
C
LYS
G
45
11.133
−57.390
−14.357
1.00
34.88
MOL3
C


ATOM
8985
O
LYS
G
45
11.492
−58.022
−13.376
1.00
34.54
MOL3
O


ATOM
8986
N
LEU
G
46
11.751
−57.487
−15.521
1.00
31.84
MOL3
N


ATOM
8987
CA
LEU
G
46
12.904
−58.361
−15.652
1.00
30.83
MOL3
C


ATOM
8988
CB
LEU
G
46
13.305
−58.450
−17.114
1.00
26.43
MOL3
C


ATOM
8989
CG
LEU
G
46
14.584
−59.179
−17.456
1.00
23.79
MOL3
C


ATOM
8990
CD1
LEU
G
46
14.722
−60.416
−16.599
1.00
28.71
MOL3
C


ATOM
8991
CD2
LEU
G
46
14.546
−59.528
−18.922
1.00
19.57
MOL3
C


ATOM
8992
C
LEU
G
46
14.079
−57.907
−14.796
1.00
31.59
MOL3
C


ATOM
8993
O
LEU
G
46
14.435
−56.729
−14.776
1.00
33.27
MOL3
O


ATOM
8994
N
LEU
G
47
14.662
−58.860
−14.078
1.00
30.77
MOL3
N


ATOM
8995
CA
LEU
G
47
15.796
−58.612
−13.201
1.00
32.12
MOL3
C


ATOM
8996
CB
LEU
G
47
15.580
−59.279
−11.851
1.00
31.97
MOL3
C


ATOM
8997
CG
LEU
G
47
15.187
−58.328
−10.735
1.00
41.78
MOL3
C


ATOM
8998
CD1
LEU
G
47
16.168
−58.404
−9.585
1.00
39.67
MOL3
C


ATOM
8999
CD2
LEU
G
47
15.156
−56.934
−11.312
1.00
46.47
MOL3
C


ATOM
9000
C
LEU
G
47
17.060
−59.180
−13.780
1.00
33.13
MOL3
C


ATOM
9001
O
LEU
G
47
18.051
−58.482
−13.944
1.00
39.23
MOL3
O


ATOM
9002
N
ILE
G
48
17.015
−60.464
−14.103
1.00
31.38
MOL3
N


ATOM
9003
CA
ILE
G
48
18.190
−61.137
−14.610
1.00
32.41
MOL3
C


ATOM
9004
CB
ILE
G
48
18.884
−61.860
−13.460
1.00
31.26
MOL3
C


ATOM
9005
CG2
ILE
G
48
20.001
−62.712
−13.982
1.00
31.43
MOL3
C


ATOM
9006
CG1
ILE
G
48
19.368
−60.831
−12.436
1.00
35.51
MOL3
C


ATOM
9007
CD1
ILE
G
48
19.885
−61.416
−11.154
1.00
36.86
MOL3
C


ATOM
9008
C
ILE
G
48
17.858
−62.137
−15.681
1.00
34.00
MOL3
C


ATOM
9009
O
ILE
G
48
16.918
−62.895
−15.535
1.00
38.04
MOL3
O


ATOM
9010
N
TYR
G
49
18.625
−62.132
−16.761
1.00
38.94
MOL3
N


ATOM
9011
CA
TYR
G
49
18.401
−63.084
−17.845
1.00
45.76
MOL3
C


ATOM
9012
CB
TYR
G
49
18.189
−62.371
−19.195
1.00
49.55
MOL3
C


ATOM
9013
CG
TYR
G
49
19.338
−61.497
−19.673
1.00
49.70
MOL3
C


ATOM
9014
CD1
TYR
G
49
19.602
−60.275
−19.073
1.00
49.20
MOL3
C


ATOM
9015
CE1
TYR
G
49
20.610
−59.448
−19.544
1.00
50.05
MOL3
C


ATOM
9016
CD2
TYR
G
49
20.125
−61.873
−20.758
1.00
44.58
MOL3
C


ATOM
9017
CE2
TYR
G
49
21.134
−61.050
−21.239
1.00
42.55
MOL3
C


ATOM
9018
CZ
TYR
G
49
21.370
−59.838
−20.627
1.00
49.78
MOL3
C


ATOM
9019
OH
TYR
G
49
22.354
−58.994
−21.089
1.00
50.96
MOL3
O


ATOM
9020
C
TYR
G
49
19.581
−64.043
−17.947
1.00
48.45
MOL3
C


ATOM
9021
O
TYR
G
49
20.657
−63.789
−17.382
1.00
47.87
MOL3
O


ATOM
9022
N
LEU
G
50
19.374
−65.138
−18.676
1.00
44.95
MOL3
N


ATOM
9023
CA
LEU
G
50
20.395
−66.154
−18.837
1.00
42.62
MOL3
C


ATOM
9024
CB
LEU
G
50
21.295
−65.799
−20.014
1.00
43.27
MOL3
C


ATOM
9025
CG
LEU
G
50
20.880
−66.606
−21.246
1.00
43.57
MOL3
C


ATOM
9026
CD1
LEU
G
50
19.410
−66.884
−21.160
1.00
40.55
MOL3
C


ATOM
9027
CD2
LEU
G
50
21.226
−65.874
−22.524
1.00
39.39
MOL3
C


ATOM
9028
C
LEU
G
50
21.209
−66.363
−17.562
1.00
45.78
MOL3
C


ATOM
9029
O
LEU
G
50
22.406
−66.100
−17.515
1.00
48.05
MOL3
O


ATOM
9030
N
VAL
G
51
20.521
−66.812
−16.520
1.00
46.34
MOL3
N


ATOM
9031
CA
VAL
G
51
21.125
−67.119
−15.230
1.00
48.58
MOL3
C


ATOM
9032
CB
VAL
G
51
22.234
−68.170
−15.363
1.00
49.60
MOL3
C


ATOM
9033
CG1
VAL
G
51
22.955
−68.321
−14.026
1.00
44.74
MOL3
C


ATOM
9034
CG2
VAL
G
51
21.658
−69.485
−15.813
1.00
48.42
MOL3
C


ATOM
9035
C
VAL
G
51
21.741
−66.035
−14.376
1.00
51.00
MOL3
C


ATOM
9036
O
VAL
G
51
21.434
−65.920
−13.178
1.00
50.83
MOL3
O


ATOM
9037
N
SER
G
52
22.631
−65.251
−14.964
1.00
49.31
MOL3
N


ATOM
9038
CA
SER
G
52
23.310
−64.269
−14.145
1.00
55.39
MOL3
C


ATOM
9039
CB
SER
G
52
24.646
−64.865
−13.711
1.00
57.96
MOL3
C


ATOM
9040
OG
SER
G
52
25.195
−64.106
−12.655
1.00
72.85
MOL3
O


ATOM
9041
C
SER
G
52
23.538
−62.877
−14.717
1.00
50.82
MOL3
C


ATOM
9042
O
SER
G
52
24.233
−62.065
−14.113
1.00
48.84
MOL3
O


ATOM
9043
N
ASN
G
53
22.951
−62.587
−15.866
1.00
47.12
MOL3
N


ATOM
9044
CA
ASN
G
53
23.139
−61.279
−16.450
1.00
44.83
MOL3
C


ATOM
9045
CB
ASN
G
53
23.211
−61.412
−17.967
1.00
47.38
MOL3
C


ATOM
9046
CG
ASN
G
53
24.324
−62.346
−18.419
1.00
53.95
MOL3
C


ATOM
9047
OD1
ASN
G
53
24.100
−63.542
−18.610
1.00
59.31
MOL3
O


ATOM
9048
ND2
ASN
G
53
25.535
−61.804
−18.582
1.00
50.66
MOL3
N


ATOM
9049
C
ASN
G
53
22.016
−60.324
−16.042
1.00
45.87
MOL3
C


ATOM
9050
O
ASN
G
53
20.834
−60.680
−16.116
1.00
44.59
MOL3
O


ATOM
9051
N
ARG
G
54
22.384
−59.116
−15.607
1.00
40.72
MOL3
N


ATOM
9052
CA
ARG
G
54
21.401
−58.116
−15.194
1.00
42.15
MOL3
C


ATOM
9053
CB
ARG
G
54
21.982
−57.171
−14.143
1.00
41.21
MOL3
C


ATOM
9054
CG
ARG
G
54
22.235
−57.764
−12.792
1.00
52.19
MOL3
C


ATOM
9055
CD
ARG
G
54
23.690
−58.127
−12.653
1.00
68.42
MOL3
C


ATOM
9056
NE
ARG
G
54
24.412
−57.203
−11.791
1.00
74.48
MOL3
N


ATOM
9057
CZ
ARG
G
54
24.268
−55.883
−11.820
1.00
84.27
MOL3
C


ATOM
9058
NH1
ARG
G
54
23.421
−55.307
−12.663
1.00
85.29
MOL3
N


ATOM
9059
NH2
ARG
G
54
24.995
−55.133
−11.011
1.00
91.76
MOL3
N


ATOM
9060
C
ARG
G
54
20.898
−57.234
−16.326
1.00
47.47
MOL3
C


ATOM
9061
O
ARG
G
54
21.649
−56.906
−17.246
1.00
53.93
MOL3
O


ATOM
9062
N
GLU
G
55
19.633
−56.828
−16.244
1.00
50.13
MOL3
N


ATOM
9063
CA
GLU
G
55
19.054
−55.935
−17.239
1.00
55.45
MOL3
C


ATOM
9064
CB
GLU
G
55
17.545
−55.810
−17.019
1.00
58.42
MOL3
C


ATOM
9065
CG
GLU
G
55
16.674
−56.365
−18.141
1.00
62.39
MOL3
C


ATOM
9066
CD
GLU
G
55
16.850
−55.610
−19.449
1.00
68.28
MOL3
C


ATOM
9067
OE1
GLU
G
55
15.834
−55.391
−20.141
1.00
64.08
MOL3
O


ATOM
9068
OE2
GLU
G
55
18.001
−55.240
−19.792
1.00
73.31
MOL3
O


ATOM
9069
C
GLU
G
55
19.731
−54.588
−17.012
1.00
58.68
MOL3
C


ATOM
9070
O
GLU
G
55
20.348
−54.371
−15.968
1.00
60.53
MOL3
O


ATOM
9071
N
SER
G
56
19.617
−53.686
−17.976
1.00
59.87
MOL3
N


ATOM
9072
CA
SER
G
56
20.242
−52.377
−17.870
1.00
62.94
MOL3
C


ATOM
9073
CB
SER
G
56
19.701
−51.480
−18.975
1.00
65.70
MOL3
C


ATOM
9074
OG
SER
G
56
19.658
−52.200
−20.201
1.00
79.30
MOL3
O


ATOM
9075
C
SER
G
56
20.061
−51.700
−16.505
1.00
63.43
MOL3
C


ATOM
9076
O
SER
G
56
21.020
−51.523
−15.749
1.00
68.59
MOL3
O


ATOM
9077
N
GLY
G
57
18.832
−51.334
−16.180
1.00
57.93
MOL3
N


ATOM
9078
CA
GLY
G
57
18.589
−50.655
−14.922
1.00
53.96
MOL3
C


ATOM
9079
C
GLY
G
57
18.896
−51.412
−13.648
1.00
52.63
MOL3
C


ATOM
9080
O
GLY
G
57
19.326
−50.819
−12.667
1.00
55.85
MOL3
O


ATOM
9081
N
VAL
G
58
18.680
−52.720
−13.648
1.00
52.62
MOL3
N


ATOM
9082
CA
VAL
G
58
18.915
−53.521
−12.451
1.00
49.03
MOL3
C


ATOM
9083
CB
VAL
G
58
18.962
−55.017
−12.758
1.00
47.64
MOL3
C


ATOM
9084
CG1
VAL
G
58
18.743
−55.793
−11.486
1.00
47.52
MOL3
C


ATOM
9085
CG2
VAL
G
58
17.929
−55.379
−13.787
1.00
47.12
MOL3
C


ATOM
9086
C
VAL
G
58
20.201
−53.172
−11.711
1.00
52.13
MOL3
C


ATOM
9087
O
VAL
G
58
21.308
−53.207
−12.281
1.00
51.96
MOL3
O


ATOM
9088
N
PRO
G
59
20.061
−52.826
−10.421
1.00
48.32
MOL3
N


ATOM
9089
CD
PRO
G
59
18.752
−52.511
−9.826
1.00
51.53
MOL3
C


ATOM
9090
CA
PRO
G
59
21.125
−52.453
−9.500
1.00
47.77
MOL3
C


ATOM
9091
CB
PRO
G
59
20.388
−52.257
−8.192
1.00
41.55
MOL3
C


ATOM
9092
CG
PRO
G
59
19.141
−51.633
−8.640
1.00
49.21
MOL3
C


ATOM
9093
C
PRO
G
59
22.244
−53.451
−9.383
1.00
51.58
MOL3
C


ATOM
9094
O
PRO
G
59
22.138
−54.607
−9.778
1.00
54.15
MOL3
O


ATOM
9095
N
SER
G
60
23.323
−52.964
−8.805
1.00
62.14
MOL3
N


ATOM
9096
CA
SER
G
60
24.530
−53.725
−8.621
1.00
68.95
MOL3
C


ATOM
9097
CB
SER
G
60
25.622
−52.755
−8.125
1.00
81.46
MOL3
C


ATOM
9098
OG
SER
G
60
25.507
−51.455
−8.744
1.00
80.56
MOL3
O


ATOM
9099
C
SER
G
60
24.339
−54.919
−7.672
1.00
68.86
MOL3
C


ATOM
9100
O
SER
G
60
24.908
−55.988
−7.908
1.00
69.31
MOL3
O


ATOM
9101
N
ARG
G
61
23.518
−54.749
−6.629
1.00
65.79
MOL3
N


ATOM
9102
CA
ARG
G
61
23.286
−55.816
−5.634
1.00
62.21
MOL3
C


ATOM
9103
CB
ARG
G
61
22.516
−55.260
−4.424
1.00
60.42
MOL3
C


ATOM
9104
CG
ARG
G
61
21.300
−54.400
−4.754
1.00
60.78
MOL3
C


ATOM
9105
CD
ARG
G
61
20.636
−53.836
−3.486
1.00
53.34
MOL3
C


ATOM
9106
NE
ARG
G
61
19.376
−53.161
−3.783
1.00
45.70
MOL3
N


ATOM
9107
CZ
ARG
G
61
19.286
−51.988
−4.395
1.00
47.19
MOL3
C


ATOM
9108
NH1
ARG
G
61
20.387
−51.361
−4.762
1.00
57.68
MOL3
N


ATOM
9109
NH2
ARG
G
61
18.101
−51.451
−4.664
1.00
47.81
MOL3
N


ATOM
9110
C
ARG
G
61
22.630
−57.132
−6.094
1.00
60.08
MOL3
C


ATOM
9111
O
ARG
G
61
22.955
−58.206
−5.586
1.00
60.15
MOL3
O


ATOM
9112
N
PHE
G
62
21.721
−57.068
−7.052
1.00
53.77
MOL3
N


ATOM
9113
CA
PHE
G
62
21.077
−58.280
−7.517
1.00
53.49
MOL3
C


ATOM
9114
CB
PHE
G
62
19.879
−57.901
−8.377
1.00
52.45
MOL3
C


ATOM
9115
CG
PHE
G
62
18.787
−57.226
−7.622
1.00
44.28
MOL3
C


ATOM
9116
CD1
PHE
G
62
17.984
−57.944
−6.759
1.00
49.58
MOL3
C


ATOM
9117
CD2
PHE
G
62
18.563
−55.879
−7.768
1.00
45.93
MOL3
C


ATOM
9118
CE1
PHE
G
62
16.973
−57.328
−6.054
1.00
52.92
MOL3
C


ATOM
9119
CE2
PHE
G
62
17.552
−55.252
−7.065
1.00
53.51
MOL3
C


ATOM
9120
CZ
PHE
G
62
16.756
−55.980
−6.206
1.00
54.67
MOL3
C


ATOM
9121
C
PHE
G
62
22.042
−59.161
−8.313
1.00
54.06
MOL3
C


ATOM
9122
O
PHE
G
62
22.699
−58.676
−9.230
1.00
57.70
MOL3
O


ATOM
9123
N
SER
G
63
22.122
−60.448
−7.979
1.00
52.56
MOL3
N


ATOM
9124
CA
SER
G
63
23.018
−61.363
−8.693
1.00
54.21
MOL3
C


ATOM
9125
CB
SER
G
63
24.372
−61.412
−7.989
1.00
55.60
MOL3
C


ATOM
9126
OG
SER
G
63
24.221
−61.114
−6.612
1.00
52.29
MOL3
O


ATOM
9127
C
SER
G
63
22.465
−62.775
−8.827
1.00
53.10
MOL3
C


ATOM
9128
O
SER
G
63
22.010
−63.364
−7.862
1.00
55.14
MOL3
O


ATOM
9129
N
GLY
G
64
22.515
−63.321
−10.033
1.00
57.59
MOL3
N


ATOM
9130
CA
GLY
G
64
22.005
−64.663
−10.256
1.00
62.03
MOL3
C


ATOM
9131
C
GLY
G
64
23.120
−65.678
−10.150
1.00
65.50
MOL3
C


ATOM
9132
O
GLY
G
64
24.254
−65.299
−9.872
1.00
66.87
MOL3
O


ATOM
9133
N
SER
G
65
22.811
−66.957
−10.364
1.00
68.23
MOL3
N


ATOM
9134
CA
SER
G
65
23.821
−68.018
−10.285
1.00
67.23
MOL3
C


ATOM
9135
CB
SER
G
65
24.641
−67.882
−8.993
1.00
68.42
MOL3
C


ATOM
9136
OG
SER
G
65
23.874
−68.137
−7.828
1.00
62.79
MOL3
O


ATOM
9137
C
SER
G
65
23.197
−69.406
−10.335
1.00
67.16
MOL3
C


ATOM
9138
O
SER
G
65
22.237
−69.679
−9.618
1.00
72.98
MOL3
O


ATOM
9139
N
GLY
G
66
23.734
−70.290
−11.166
1.00
62.84
MOL3
N


ATOM
9140
CA
GLY
G
66
23.155
−71.615
−11.226
1.00
68.73
MOL3
C


ATOM
9141
C
GLY
G
66
23.649
−72.558
−12.302
1.00
76.81
MOL3
C


ATOM
9142
O
GLY
G
66
24.269
−72.153
−13.290
1.00
73.43
MOL3
O


ATOM
9143
N
SER
G
67
23.354
−73.840
−12.095
1.00
85.49
MOL3
N


ATOM
9144
CA
SER
G
67
23.755
−74.893
−13.021
1.00
90.60
MOL3
C


ATOM
9145
CB
SER
G
67
23.982
−76.214
−12.270
1.00
90.93
MOL3
C


ATOM
9146
OG
SER
G
67
22.826
−76.617
−11.559
1.00
90.02
MOL3
O


ATOM
9147
C
SER
G
67
22.714
−75.089
−14.110
1.00
91.68
MOL3
C


ATOM
9148
O
SER
G
67
22.721
−74.380
−15.122
1.00
94.33
MOL3
O


ATOM
9149
N
GLY
G
68
21.825
−76.054
−13.893
1.00
90.54
MOL3
N


ATOM
9150
CA
GLY
G
68
20.782
−76.346
−14.858
1.00
89.44
MOL3
C


ATOM
9151
C
GLY
G
68
19.638
−77.073
−14.187
1.00
88.47
MOL3
C


ATOM
9152
O
GLY
G
68
18.751
−77.608
−14.849
1.00
84.62
MOL3
O


ATOM
9153
N
THR
G
69
19.674
−77.087
−12.857
1.00
90.20
MOL3
N


ATOM
9154
CA
THR
G
69
18.653
−77.739
−12.051
1.00
92.56
MOL3
C


ATOM
9155
CB
THR
G
69
19.085
−79.139
−11.627
1.00
98.74
MOL3
C


ATOM
9156
OG1
THR
G
69
18.174
−79.633
−10.638
1.00
108.30
MOL3
O


ATOM
9157
CG2
THR
G
69
20.491
−79.108
−11.042
1.00
103.92
MOL3
C


ATOM
9158
C
THR
G
69
18.380
−76.929
−10.794
1.00
88.90
MOL3
C


ATOM
9159
O
THR
G
69
17.254
−76.887
−10.304
1.00
91.65
MOL3
O


ATOM
9160
N
ASP
G
70
19.421
−76.300
−10.264
1.00
85.97
MOL3
N


ATOM
9161
CA
ASP
G
70
19.279
−75.469
−9.072
1.00
88.69
MOL3
C


ATOM
9162
CB
ASP
G
70
20.038
−76.059
−7.870
1.00
96.68
MOL3
C


ATOM
9163
CG
ASP
G
70
20.738
−77.366
−8.196
1.00
105.12
MOL3
C


ATOM
9164
OD1
ASP
G
70
21.579
−77.390
−9.121
1.00
108.66
MOL3
O


ATOM
9165
OD2
ASP
G
70
20.451
−78.374
−7.519
1.00
111.25
MOL3
O


ATOM
9166
C
ASP
G
70
19.821
−74.078
−9.369
1.00
83.52
MOL3
C


ATOM
9167
O
ASP
G
70
20.894
−73.928
−9.954
1.00
85.96
MOL3
O


ATOM
9168
N
PHE
G
71
19.078
−73.057
−8.970
1.00
73.77
MOL3
N


ATOM
9169
CA
PHE
G
71
19.514
−71.692
−9.198
1.00
62.74
MOL3
C


ATOM
9170
CB
PHE
G
71
18.786
−71.103
−10.387
1.00
58.07
MOL3
C


ATOM
9171
CG
PHE
G
71
18.984
−71.871
−11.644
1.00
60.46
MOL3
C


ATOM
9172
CD1
PHE
G
71
20.165
−71.771
−12.349
1.00
64.47
MOL3
C


ATOM
9173
CD2
PHE
G
71
17.995
−72.702
−12.121
1.00
63.44
MOL3
C


ATOM
9174
CE1
PHE
G
71
20.357
−72.483
−13.508
1.00
61.95
MOL3
C


ATOM
9175
CE2
PHE
G
71
18.178
−73.417
−13.278
1.00
62.01
MOL3
C


ATOM
9176
CZ
PHE
G
71
19.362
−73.306
−13.972
1.00
65.54
MOL3
C


ATOM
9177
C
PHE
G
71
19.216
−70.865
−7.979
1.00
60.82
MOL3
C


ATOM
9178
O
PHE
G
71
18.389
−71.237
−7.146
1.00
68.29
MOL3
O


ATOM
9179
N
THR
G
72
19.889
−69.738
−7.858
1.00
54.02
MOL3
N


ATOM
9180
CA
THR
G
72
19.628
−68.893
−6.718
1.00
56.28
MOL3
C


ATOM
9181
CB
THR
G
72
20.530
−69.243
−5.510
1.00
58.97
MOL3
C


ATOM
9182
OG1
THR
G
72
21.429
−68.154
−5.267
1.00
63.51
MOL3
O


ATOM
9183
CG2
THR
G
72
21.314
−70.536
−5.757
1.00
52.40
MOL3
C


ATOM
9184
C
THR
G
72
19.808
−67.429
−7.064
1.00
54.68
MOL3
C


ATOM
9185
O
THR
G
72
20.738
−67.047
−7.762
1.00
57.65
MOL3
O


ATOM
9186
N
LEU
G
73
18.877
−66.614
−6.602
1.00
51.57
MOL3
N


ATOM
9187
CA
LEU
G
73
18.949
−65.197
−6.844
1.00
50.13
MOL3
C


ATOM
9188
CB
LEU
G
73
17.587
−64.671
−7.285
1.00
49.88
MOL3
C


ATOM
9189
CG
LEU
G
73
17.396
−63.169
−7.104
1.00
57.46
MOL3
C


ATOM
9190
CD1
LEU
G
73
18.479
−62.395
−7.836
1.00
59.43
MOL3
C


ATOM
9191
CD2
LEU
G
73
16.024
−62.795
−7.606
1.00
57.80
MOL3
C


ATOM
9192
C
LEU
G
73
19.357
−64.646
−5.497
1.00
50.52
MOL3
C


ATOM
9193
O
LEU
G
73
18.968
−65.185
−4.466
1.00
56.98
MOL3
O


ATOM
9194
N
THR
G
74
20.161
−63.595
−5.482
1.00
50.75
MOL3
N


ATOM
9195
CA
THR
G
74
20.589
−63.057
−4.206
1.00
52.46
MOL3
C


ATOM
9196
CB
THR
G
74
21.825
−63.841
−3.655
1.00
56.91
MOL3
C


ATOM
9197
OG1
THR
G
74
22.632
−62.961
−2.860
1.00
58.92
MOL3
O


ATOM
9198
CG2
THR
G
74
22.646
−64.466
−4.793
1.00
49.58
MOL3
C


ATOM
9199
C
THR
G
74
20.861
−61.562
−4.162
1.00
51.48
MOL3
C


ATOM
9200
O
THR
G
74
21.551
−60.997
−5.011
1.00
51.31
MOL3
O


ATOM
9201
N
ILE
G
75
20.299
−60.933
−3.142
1.00
50.98
MOL3
N


ATOM
9202
CA
ILE
G
75
20.440
−59.509
−2.938
1.00
61.03
MOL3
C


ATOM
9203
CB
ILE
G
75
19.086
−58.888
−2.513
1.00
65.72
MOL3
C


ATOM
9204
CG2
ILE
G
75
19.144
−57.369
−2.596
1.00
66.90
MOL3
C


ATOM
9205
CG1
ILE
G
75
17.976
−59.392
−3.438
1.00
68.75
MOL3
C


ATOM
9206
CD1
ILE
G
75
16.610
−58.811
−3.133
1.00
68.20
MOL3
C


ATOM
9207
C
ILE
G
75
21.487
−59.256
−1.853
1.00
65.69
MOL3
C


ATOM
9208
O
ILE
G
75
21.226
−59.446
−0.664
1.00
65.40
MOL3
O


ATOM
9209
N
SER
G
76
22.669
−58.823
−2.286
1.00
67.38
MOL3
N


ATOM
9210
CA
SER
G
76
23.792
−58.532
−1.404
1.00
67.37
MOL3
C


ATOM
9211
CB
SER
G
76
24.922
−57.899
−2.208
1.00
72.25
MOL3
C


ATOM
9212
OG
SER
G
76
25.279
−58.731
−3.291
1.00
86.18
MOL3
O


ATOM
9213
C
SER
G
76
23.458
−57.609
−0.243
1.00
65.06
MOL3
C


ATOM
9214
O
SER
G
76
23.943
−57.801
0.872
1.00
71.05
MOL3
O


ATOM
9215
N
SER
G
77
22.649
−56.595
−0.495
1.00
56.07
MOL3
N


ATOM
9216
CA
SER
G
77
22.315
−55.678
0.571
1.00
57.30
MOL3
C


ATOM
9217
CB
SER
G
77
23.299
−54.518
0.600
1.00
57.18
MOL3
C


ATOM
9218
OG
SER
G
77
22.852
−53.526
1.511
1.00
64.33
MOL3
O


ATOM
9219
C
SER
G
77
20.923
−55.136
0.397
1.00
60.30
MOL3
C


ATOM
9220
O
SER
G
77
20.737
−54.091
−0.222
1.00
66.45
MOL3
O


ATOM
9221
N
LEU
G
78
19.944
−55.828
0.972
1.00
61.04
MOL3
N


ATOM
9222
CA
LEU
G
78
18.545
−55.420
0.843
1.00
57.10
MOL3
C


ATOM
9223
CB
LEU
G
78
17.638
−56.148
1.837
1.00
59.14
MOL3
C


ATOM
9224
CG
LEU
G
78
16.232
−56.405
1.272
1.00
59.20
MOL3
C


ATOM
9225
CD1
LEU
G
78
16.362
−57.395
0.137
1.00
62.71
MOL3
C


ATOM
9226
CD2
LEU
G
78
15.294
−56.975
2.317
1.00
62.35
MOL3
C


ATOM
9227
C
LEU
G
78
18.344
−53.939
1.011
1.00
54.97
MOL3
C


ATOM
9228
O
LEU
G
78
18.943
−53.308
1.876
1.00
55.56
MOL3
O


ATOM
9229
N
GLN
G
79
17.486
−53.394
0.163
1.00
56.22
MOL3
N


ATOM
9230
CA
GLN
G
79
17.183
−51.979
0.188
1.00
59.47
MOL3
C


ATOM
9231
CB
GLN
G
79
17.692
−51.311
−1.086
1.00
62.26
MOL3
C


ATOM
9232
CG
GLN
G
79
19.195
−51.202
−1.148
1.00
65.36
MOL3
C


ATOM
9233
CD
GLN
G
79
19.748
−50.412
0.018
1.00
73.04
MOL3
C


ATOM
9234
OE1
GLN
G
79
19.414
−49.235
0.204
1.00
75.65
MOL3
O


ATOM
9235
NE2
GLN
G
79
20.597
−51.055
0.818
1.00
72.21
MOL3
N


ATOM
9236
C
GLN
G
79
15.687
−51.779
0.323
1.00
59.35
MOL3
C


ATOM
9237
O
GLN
G
79
14.897
−52.654
−0.017
1.00
58.67
MOL3
O


ATOM
9238
N
PRO
G
80
15.279
−50.609
0.819
1.00
61.07
MOL3
N


ATOM
9239
CD
PRO
G
80
16.110
−49.428
1.105
1.00
57.69
MOL3
C


ATOM
9240
CA
PRO
G
80
13.857
−50.309
0.995
1.00
64.17
MOL3
C


ATOM
9241
CB
PRO
G
80
13.852
−48.796
1.192
1.00
64.30
MOL3
C


ATOM
9242
CG
PRO
G
80
15.157
−48.552
1.880
1.00
62.04
MOL3
C


ATOM
9243
C
PRO
G
80
13.013
−50.740
−0.202
1.00
66.97
MOL3
C


ATOM
9244
O
PRO
G
80
12.004
−51.416
−0.054
1.00
72.11
MOL3
O


ATOM
9245
N
GLU
G
81
13.447
−50.358
−1.391
1.00
68.09
MOL3
N


ATOM
9246
CA
GLU
G
81
12.722
−50.671
−2.608
1.00
71.02
MOL3
C


ATOM
9247
CB
GLU
G
81
13.141
−49.691
−3.716
1.00
86.99
MOL3
C


ATOM
9248
CG
GLU
G
81
14.665
−49.488
−3.906
1.00
98.03
MOL3
C


ATOM
9249
CD
GLU
G
81
15.341
−48.753
−2.738
1.00
105.74
MOL3
C


ATOM
9250
OE1
GLU
G
81
14.685
−47.901
−2.091
1.00
107.20
MOL3
O


ATOM
9251
OE2
GLU
G
81
16.538
−49.012
−2.480
1.00
106.18
MOL3
O


ATOM
9252
C
GLU
G
81
12.868
−52.094
−3.108
1.00
64.50
MOL3
C


ATOM
9253
O
GLU
G
81
12.366
−52.429
−4.174
1.00
65.83
MOL3
O


ATOM
9254
N
ASP
G
82
13.557
−52.936
−2.358
1.00
58.56
MOL3
N


ATOM
9255
CA
ASP
G
82
13.730
−54.309
−2.812
1.00
60.36
MOL3
C


ATOM
9256
CB
ASP
G
82
15.109
−54.839
−2.426
1.00
67.23
MOL3
C


ATOM
9257
CG
ASP
G
82
16.218
−54.123
−3.140
1.00
71.60
MOL3
C


ATOM
9258
OD1
ASP
G
82
16.071
−53.888
−4.361
1.00
75.55
MOL3
O


ATOM
9259
OD2
ASP
G
82
17.232
−53.804
−2.485
1.00
72.12
MOL3
O


ATOM
9260
C
ASP
G
82
12.657
−55.227
−2.252
1.00
56.97
MOL3
C


ATOM
9261
O
ASP
G
82
12.586
−56.418
−2.579
1.00
49.48
MOL3
O


ATOM
9262
N
PHE
G
83
11.811
−54.666
−1.399
1.00
57.41
MOL3
N


ATOM
9263
CA
PHE
G
83
10.740
−55.455
−0.810
1.00
54.23
MOL3
C


ATOM
9264
CB
PHE
G
83
10.170
−54.762
0.431
1.00
54.67
MOL3
C


ATOM
9265
CG
PHE
G
83
11.083
−54.818
1.615
1.00
55.87
MOL3
C


ATOM
9266
CD1
PHE
G
83
11.510
−53.658
2.235
1.00
56.89
MOL3
C


ATOM
9267
CD2
PHE
G
83
11.538
−56.039
2.091
1.00
59.94
MOL3
C


ATOM
9268
CE1
PHE
G
83
12.379
−53.715
3.308
1.00
63.08
MOL3
C


ATOM
9269
CE2
PHE
G
83
12.404
−56.108
3.162
1.00
60.38
MOL3
C


ATOM
9270
CZ
PHE
G
83
12.828
−54.943
3.773
1.00
63.94
MOL3
C


ATOM
9271
C
PHE
G
83
9.648
−55.680
−1.832
1.00
49.88
MOL3
C


ATOM
9272
O
PHE
G
83
8.812
−54.800
−2.093
1.00
52.08
MOL3
O


ATOM
9273
N
ALA
G
84
9.675
−56.865
−2.422
1.00
39.92
MOL3
N


ATOM
9274
CA
ALA
G
84
8.693
−57.237
−3.427
1.00
42.71
MOL3
C


ATOM
9275
CB
ALA
G
84
9.042
−56.613
−4.764
1.00
47.88
MOL3
C


ATOM
9276
C
ALA
G
84
8.670
−58.743
−3.563
1.00
41.30
MOL3
C


ATOM
9277
O
ALA
G
84
9.245
−59.460
−2.761
1.00
47.67
MOL3
O


ATOM
9278
N
THR
G
85
8.006
−59.231
−4.588
1.00
34.38
MOL3
N


ATOM
9279
CA
THR
G
85
7.945
−60.661
−4.786
1.00
36.94
MOL3
C


ATOM
9280
CB
THR
G
85
6.519
−61.109
−5.157
1.00
43.40
MOL3
C


ATOM
9281
OG1
THR
G
85
5.602
−60.720
−4.119
1.00
40.46
MOL3
O


ATOM
9282
CG2
THR
G
85
6.478
−62.621
−5.370
1.00
42.50
MOL3
C


ATOM
9283
C
THR
G
85
8.871
−60.963
−5.935
1.00
36.36
MOL3
C


ATOM
9284
O
THR
G
85
8.993
−60.147
−6.839
1.00
46.03
MOL3
O


ATOM
9285
N
TYR
G
86
9.513
−62.126
−5.914
1.00
31.26
MOL3
N


ATOM
9286
CA
TYR
G
86
10.442
−62.491
−6.973
1.00
31.58
MOL3
C


ATOM
9287
CB
TYR
G
86
11.853
−62.590
−6.409
1.00
26.22
MOL3
C


ATOM
9288
CG
TYR
G
86
12.354
−61.261
−5.918
1.00
34.59
MOL3
C


ATOM
9289
CD1
TYR
G
86
12.060
−60.816
−4.637
1.00
35.54
MOL3
C


ATOM
9290
CE1
TYR
G
86
12.448
−59.562
−4.205
1.00
30.13
MOL3
C


ATOM
9291
CD2
TYR
G
86
13.057
−60.411
−6.755
1.00
35.99
MOL3
C


ATOM
9292
CE2
TYR
G
86
13.445
−59.151
−6.322
1.00
42.17
MOL3
C


ATOM
9293
CZ
TYR
G
86
13.130
−58.738
−5.047
1.00
33.44
MOL3
C


ATOM
9294
OH
TYR
G
86
13.452
−57.478
−4.634
1.00
36.13
MOL3
O


ATOM
9295
C
TYR
G
86
10.086
−63.787
−7.646
1.00
32.93
MOL3
C


ATOM
9296
O
TYR
G
86
9.800
−64.754
−6.978
1.00
42.80
MOL3
O


ATOM
9297
N
TYR
G
87
10.112
−63.816
−8.970
1.00
34.25
MOL3
N


ATOM
9298
CA
TYR
G
87
9.785
−65.035
−9.693
1.00
38.30
MOL3
C


ATOM
9299
CB
TYR
G
87
8.571
−64.824
−10.591
1.00
41.15
MOL3
C


ATOM
9300
CG
TYR
G
87
7.252
−64.592
−9.903
1.00
44.49
MOL3
C


ATOM
9301
CD1
TYR
G
87
6.368
−65.628
−9.694
1.00
50.72
MOL3
C


ATOM
9302
CE1
TYR
G
87
5.127
−65.399
−9.142
1.00
56.99
MOL3
C


ATOM
9303
CD2
TYR
G
87
6.862
−63.323
−9.530
1.00
48.02
MOL3
C


ATOM
9304
CE2
TYR
G
87
5.630
−63.087
−8.977
1.00
53.20
MOL3
C


ATOM
9305
CZ
TYR
G
87
4.763
−64.123
−8.784
1.00
52.52
MOL3
C


ATOM
9306
OH
TYR
G
87
3.528
−63.879
−8.226
1.00
54.41
MOL3
O


ATOM
9307
C
TYR
G
87
10.922
−65.495
−10.590
1.00
41.02
MOL3
C


ATOM
9308
O
TYR
G
87
11.599
−64.674
−11.201
1.00
46.26
MOL3
O


ATOM
9309
N
CYS
G
88
11.125
−66.804
−10.674
1.00
38.26
MOL3
N


ATOM
9310
CA
CYS
G
88
12.130
−67.341
−11.563
1.00
42.99
MOL3
C


ATOM
9311
C
CYS
G
88
11.368
−67.897
−12.756
1.00
41.84
MOL3
C


ATOM
9312
O
CYS
G
88
10.178
−68.150
−12.654
1.00
46.96
MOL3
O


ATOM
9313
CB
CYS
G
88
12.954
−68.416
−10.864
1.00
57.83
MOL3
C


ATOM
9314
SG
CYS
G
88
12.076
−69.701
−9.911
1.00
83.37
MOL3
S


ATOM
9315
N
GLN
G
89
12.018
−68.046
−13.902
1.00
38.75
MOL3
N


ATOM
9316
CA
GLN
G
89
11.324
−68.564
−15.075
1.00
43.83
MOL3
C


ATOM
9317
CB
GLN
G
89
10.688
−67.432
−15.895
1.00
40.77
MOL3
C


ATOM
9318
CG
GLN
G
89
10.243
−67.872
−17.308
1.00
44.08
MOL3
C


ATOM
9319
CD
GLN
G
89
10.165
−66.711
−18.290
1.00
44.65
MOL3
C


ATOM
9320
OE1
GLN
G
89
10.778
−65.681
−18.072
1.00
46.53
MOL3
O


ATOM
9321
NE2
GLN
G
89
9.428
−66.882
−19.382
1.00
45.67
MOL3
N


ATOM
9322
C
GLN
G
89
12.290
−69.318
−15.958
1.00
50.40
MOL3
C


ATOM
9323
O
GLN
G
89
13.459
−68.950
−16.054
1.00
54.43
MOL3
O


ATOM
9324
N
GLN
G
90
11.798
−70.366
−16.611
1.00
51.12
MOL3
N


ATOM
9325
CA
GLN
G
90
12.631
−71.169
−17.491
1.00
53.88
MOL3
C


ATOM
9326
CB
GLN
G
90
12.610
−72.645
−17.053
1.00
54.93
MOL3
C


ATOM
9327
CG
GLN
G
90
11.279
−73.372
−17.270
1.00
60.36
MOL3
C


ATOM
9328
CD
GLN
G
90
11.121
−73.903
−18.687
1.00
65.13
MOL3
C


ATOM
9329
OE1
GLN
G
90
10.036
−74.322
−19.105
1.00
65.50
MOL3
O


ATOM
9330
NE2
GLN
G
90
12.213
−73.893
−19.432
1.00
71.24
MOL3
N


ATOM
9331
C
GLN
G
90
12.056
−71.028
−18.878
1.00
53.56
MOL3
C


ATOM
9332
O
GLN
G
90
10.868
−70.755
−19.021
1.00
50.35
MOL3
O


ATOM
9333
N
THR
G
91
12.900
−71.198
−19.891
1.00
55.41
MOL3
N


ATOM
9334
CA
THR
G
91
12.456
−71.106
−21.270
1.00
60.76
MOL3
C


ATOM
9335
CB
THR
G
91
12.789
−69.732
−21.901
1.00
61.23
MOL3
C


ATOM
9336
OG1
THR
G
91
14.137
−69.370
−21.587
1.00
66.23
MOL3
O


ATOM
9337
CG2
THR
G
91
11.847
−68.662
−21.390
1.00
59.04
MOL3
C


ATOM
9338
C
THR
G
91
13.098
−72.201
−22.101
1.00
66.38
MOL3
C


ATOM
9339
O
THR
G
91
13.228
−72.070
−23.311
1.00
68.83
MOL3
O


ATOM
9340
N
TRP
G
92
13.508
−73.282
−21.450
1.00
72.90
MOL3
N


ATOM
9341
CA
TRP
G
92
14.101
−74.391
−22.179
1.00
82.64
MOL3
C


ATOM
9342
CB
TRP
G
92
14.903
−75.317
−21.249
1.00
92.36
MOL3
C


ATOM
9343
CG
TRP
G
92
16.135
−75.882
−21.919
1.00
107.39
MOL3
C


ATOM
9344
CD2
TRP
G
92
16.173
−76.874
−22.951
1.00
113.90
MOL3
C


ATOM
9345
CE2
TRP
G
92
17.515
−76.985
−23.378
1.00
116.36
MOL3
C


ATOM
9346
CE3
TRP
G
92
15.203
−77.673
−23.561
1.00
120.18
MOL3
C


ATOM
9347
CD1
TRP
G
92
17.424
−75.455
−21.762
1.00
112.31
MOL3
C


ATOM
9348
NE1
TRP
G
92
18.259
−76.108
−22.634
1.00
112.14
MOL3
N


ATOM
9349
CZ2
TRP
G
92
17.909
−77.862
−24.386
1.00
121.41
MOL3
C


ATOM
9350
CZ3
TRP
G
92
15.595
−78.546
−24.566
1.00
125.94
MOL3
C


ATOM
9351
CH2
TRP
G
92
16.937
−78.632
−24.968
1.00
126.33
MOL3
C


ATOM
9352
C
TRP
G
92
12.985
−75.188
−22.852
1.00
85.04
MOL3
C


ATOM
9353
O
TRP
G
92
12.970
−75.333
−24.070
1.00
86.92
MOL3
O


ATOM
9354
N
SER
G
93
12.040
−75.685
−22.056
1.00
90.80
MOL3
N


ATOM
9355
CA
SER
G
93
10.924
−76.486
−22.572
1.00
98.46
MOL3
C


ATOM
9356
CB
SER
G
93
10.498
−77.523
−21.522
1.00
106.12
MOL3
C


ATOM
9357
OG
SER
G
93
9.909
−78.668
−22.123
1.00
113.34
MOL3
O


ATOM
9358
C
SER
G
93
9.737
−75.602
−22.944
1.00
98.41
MOL3
C


ATOM
9359
O
SER
G
93
9.324
−74.751
−22.153
1.00
97.41
MOL3
O


ATOM
9360
N
ASP
G
94
9.178
−75.839
−24.132
1.00
97.22
MOL3
N


ATOM
9361
CA
ASP
G
94
8.076
−75.042
−24.657
1.00
99.78
MOL3
C


ATOM
9362
CB
ASP
G
94
7.395
−75.780
−25.799
1.00
105.41
MOL3
C


ATOM
9363
CG
ASP
G
94
7.862
−75.274
−27.155
1.00
113.87
MOL3
C


ATOM
9364
OD1
ASP
G
94
7.655
−74.072
−27.437
1.00
113.60
MOL3
O


ATOM
9365
OD2
ASP
G
94
8.445
−76.063
−27.932
1.00
120.61
MOL3
O


ATOM
9366
C
ASP
G
94
7.035
−74.443
−23.713
1.00
100.01
MOL3
C


ATOM
9367
O
ASP
G
94
6.713
−73.254
−23.829
1.00
106.52
MOL3
O


ATOM
9368
N
PRO
G
95
6.466
−75.235
−22.792
1.00
93.31
MOL3
N


ATOM
9369
CD
PRO
G
95
6.356
−76.694
−22.678
1.00
89.29
MOL3
C


ATOM
9370
CA
PRO
G
95
5.489
−74.561
−21.924
1.00
84.85
MOL3
C


ATOM
9371
CB
PRO
G
95
4.767
−75.711
−21.238
1.00
77.59
MOL3
C


ATOM
9372
CG
PRO
G
95
4.938
−76.839
−22.198
1.00
91.35
MOL3
C


ATOM
9373
C
PRO
G
95
6.294
−73.750
−20.920
1.00
81.43
MOL3
C


ATOM
9374
O
PRO
G
95
6.496
−74.203
−19.798
1.00
84.19
MOL3
O


ATOM
9375
N
TRP
G
96
6.777
−72.575
−21.322
1.00
72.95
MOL3
N


ATOM
9376
CA
TRP
G
96
7.571
−71.760
−20.413
1.00
66.65
MOL3
C


ATOM
9377
CB
TRP
G
96
7.819
−70.377
−21.008
1.00
66.86
MOL3
C


ATOM
9378
CG
TRP
G
96
8.524
−70.410
−22.314
1.00
67.77
MOL3
C


ATOM
9379
CD2
TRP
G
96
8.432
−69.441
−23.362
1.00
73.87
MOL3
C


ATOM
9380
CE2
TRP
G
96
9.248
−69.889
−24.420
1.00
72.77
MOL3
C


ATOM
9381
CE3
TRP
G
96
7.738
−68.237
−23.510
1.00
75.04
MOL3
C


ATOM
9382
CD1
TRP
G
96
9.373
−71.373
−22.758
1.00
70.29
MOL3
C


ATOM
9383
NE1
TRP
G
96
9.813
−71.073
−24.028
1.00
71.16
MOL3
N


ATOM
9384
CZ2
TRP
G
96
9.385
−69.179
−25.608
1.00
73.12
MOL3
C


ATOM
9385
CZ3
TRP
G
96
7.878
−67.534
−24.694
1.00
76.94
MOL3
C


ATOM
9386
CH2
TRP
G
96
8.693
−68.006
−25.725
1.00
74.23
MOL3
C


ATOM
9387
C
TRP
G
96
6.847
−71.650
−19.073
1.00
65.18
MOL3
C


ATOM
9388
O
TRP
G
96
5.660
−71.319
−19.019
1.00
66.34
MOL3
O


ATOM
9389
N
THR
G
97
7.561
−71.925
−17.988
1.00
61.09
MOL3
N


ATOM
9390
CA
THR
G
97
6.955
−71.899
−16.659
1.00
65.03
MOL3
C


ATOM
9391
CB
THR
G
97
7.001
−73.293
−16.032
1.00
67.22
MOL3
C


ATOM
9392
OG1
THR
G
97
8.353
−73.768
−16.020
1.00
63.22
MOL3
O


ATOM
9393
CG2
THR
G
97
6.153
−74.254
−16.833
1.00
74.80
MOL3
C


ATOM
9394
C
THR
G
97
7.585
−70.938
−15.664
1.00
62.36
MOL3
C


ATOM
9395
O
THR
G
97
8.752
−70.581
−15.794
1.00
70.37
MOL3
O


ATOM
9396
N
PHE
G
98
6.815
−70.532
−14.660
1.00
52.65
MOL3
N


ATOM
9397
CA
PHE
G
98
7.334
−69.622
−13.656
1.00
54.09
MOL3
C


ATOM
9398
CB
PHE
G
98
6.497
−68.342
−13.605
1.00
56.03
MOL3
C


ATOM
9399
CG
PHE
G
98
6.612
−67.493
−14.836
1.00
54.73
MOL3
C


ATOM
9400
CD1
PHE
G
98
6.221
−67.979
−16.072
1.00
58.99
MOL3
C


ATOM
9401
CD2
PHE
G
98
7.127
−66.224
−14.764
1.00
49.70
MOL3
C


ATOM
9402
CE1
PHE
G
98
6.347
−67.209
−17.217
1.00
52.80
MOL3
C


ATOM
9403
CE2
PHE
G
98
7.252
−65.456
−15.905
1.00
57.24
MOL3
C


ATOM
9404
CZ
PHE
G
98
6.860
−65.952
−17.133
1.00
52.09
MOL3
C


ATOM
9405
C
PHE
G
98
7.343
−70.273
−12.285
1.00
56.18
MOL3
C


ATOM
9406
O
PHE
G
98
6.818
−71.362
−12.095
1.00
60.20
MOL3
O


ATOM
9407
N
GLY
G
99
7.958
−69.599
−11.326
1.00
59.27
MOL3
N


ATOM
9408
CA
GLY
G
99
8.003
−70.117
−9.977
1.00
54.28
MOL3
C


ATOM
9409
C
GLY
G
99
6.782
−69.592
−9.243
1.00
58.17
MOL3
C


ATOM
9410
O
GLY
G
99
6.030
−68.750
−9.758
1.00
51.24
MOL3
O


ATOM
9411
N
GLN
G
100
6.578
−70.100
−8.035
1.00
60.52
MOL3
N


ATOM
9412
CA
GLN
G
100
5.449
−69.696
−7.211
1.00
58.73
MOL3
C


ATOM
9413
CB
GLN
G
100
5.346
−70.563
−5.959
1.00
66.97
MOL3
C


ATOM
9414
CG
GLN
G
100
6.680
−71.019
−5.412
1.00
69.67
MOL3
C


ATOM
9415
CD
GLN
G
100
7.207
−72.178
−6.222
1.00
80.37
MOL3
C


ATOM
9416
OE1
GLN
G
100
8.397
−72.470
−6.213
1.00
83.56
MOL3
O


ATOM
9417
NE2
GLN
G
100
6.307
−72.857
−6.932
1.00
80.26
MOL3
N


ATOM
9418
C
GLN
G
100
5.641
−68.280
−6.763
1.00
56.38
MOL3
C


ATOM
9419
O
GLN
G
100
4.683
−67.620
−6.381
1.00
60.88
MOL3
O


ATOM
9420
N
GLY
G
101
6.889
−67.829
−6.783
1.00
53.37
MOL3
N


ATOM
9421
CA
GLY
G
101
7.196
−66.480
−6.349
1.00
53.27
MOL3
C


ATOM
9422
C
GLY
G
101
7.527
−66.401
−4.866
1.00
52.19
MOL3
C


ATOM
9423
O
GLY
G
101
6.896
−67.059
−4.040
1.00
54.76
MOL3
O


ATOM
9424
N
THR
G
102
8.517
−65.581
−4.533
1.00
51.37
MOL3
N


ATOM
9425
CA
THR
G
102
8.963
−65.395
−3.155
1.00
48.52
MOL3
C


ATOM
9426
CB
THR
G
102
10.475
−65.654
−3.026
1.00
47.16
MOL3
C


ATOM
9427
OG1
THR
G
102
10.760
−67.011
−3.386
1.00
45.24
MOL3
O


ATOM
9428
CG2
THR
G
102
10.947
−65.366
−1.613
1.00
28.54
MOL3
C


ATOM
9429
C
THR
G
102
8.708
−63.965
−2.715
1.00
49.06
MOL3
C


ATOM
9430
O
THR
G
102
9.189
−63.026
−3.341
1.00
50.78
MOL3
O


ATOM
9431
N
LYS
G
103
7.959
−63.794
−1.638
1.00
47.88
MOL3
N


ATOM
9432
CA
LYS
G
103
7.681
−62.456
−1.168
1.00
53.43
MOL3
C


ATOM
9433
CB
LYS
G
103
6.246
−62.359
−0.628
1.00
53.18
MOL3
C


ATOM
9434
CG
LYS
G
103
5.942
−60.998
−0.003
1.00
63.25
MOL3
C


ATOM
9435
CD
LYS
G
103
4.625
−60.396
−0.499
1.00
78.01
MOL3
C


ATOM
9436
CE
LYS
G
103
3.422
−60.787
0.370
1.00
85.65
MOL3
C


ATOM
9437
NZ
LYS
G
103
2.142
−60.134
−0.074
1.00
86.23
MOL3
N


ATOM
9438
C
LYS
G
103
8.667
−62.078
−0.079
1.00
52.90
MOL3
C


ATOM
9439
O
LYS
G
103
8.808
−62.803
0.898
1.00
55.67
MOL3
O


ATOM
9440
N
VAL
G
104
9.362
−60.958
−0.257
1.00
48.13
MOL3
N


ATOM
9441
CA
VAL
G
104
10.302
−60.488
0.749
1.00
46.61
MOL3
C


ATOM
9442
CB
VAL
G
104
11.600
−59.944
0.151
1.00
44.34
MOL3
C


ATOM
9443
CG1
VAL
G
104
12.285
−59.072
1.173
1.00
47.16
MOL3
C


ATOM
9444
CG2
VAL
G
104
12.527
−61.087
−0.236
1.00
34.69
MOL3
C


ATOM
9445
C
VAL
G
104
9.620
−59.361
1.478
1.00
51.75
MOL3
C


ATOM
9446
O
VAL
G
104
9.178
−58.398
0.850
1.00
56.13
MOL3
O


ATOM
9447
N
GLU
G
105
9.550
−59.485
2.802
1.00
56.30
MOL3
N


ATOM
9448
CA
GLU
G
105
8.883
−58.508
3.657
1.00
62.68
MOL3
C


ATOM
9449
CB
GLU
G
105
7.687
−59.188
4.331
1.00
68.61
MOL3
C


ATOM
9450
CG
GLU
G
105
6.761
−59.913
3.345
1.00
81.12
MOL3
C


ATOM
9451
CD
GLU
G
105
5.877
−60.980
4.000
1.00
89.16
MOL3
C


ATOM
9452
OE1
GLU
G
105
6.429
−61.894
4.665
1.00
87.13
MOL3
O


ATOM
9453
OE2
GLU
G
105
4.631
−60.906
3.836
1.00
90.53
MOL3
O


ATOM
9454
C
GLU
G
105
9.846
−57.972
4.708
1.00
61.84
MOL3
C


ATOM
9455
O
GLU
G
105
10.789
−58.659
5.087
1.00
60.52
MOL3
O


ATOM
9456
N
ILE
G
106
9.595
−56.756
5.185
1.00
63.70
MOL3
N


ATOM
9457
CA
ILE
G
106
10.457
−56.123
6.180
1.00
66.29
MOL3
C


ATOM
9458
CB
ILE
G
106
10.163
−54.609
6.272
1.00
75.24
MOL3
C


ATOM
9459
CG2
ILE
G
106
8.792
−54.358
6.907
1.00
73.40
MOL3
C


ATOM
9460
CG1
ILE
G
106
11.240
−53.929
7.109
1.00
83.07
MOL3
C


ATOM
9461
CD1
ILE
G
106
10.937
−52.475
7.395
1.00
94.36
MOL3
C


ATOM
9462
C
ILE
G
106
10.298
−56.724
7.570
1.00
63.00
MOL3
C


ATOM
9463
O
ILE
G
106
9.198
−56.736
8.115
1.00
62.22
MOL3
O


ATOM
9464
N
LYS
G
107
11.397
−57.215
8.148
1.00
61.89
MOL3
N


ATOM
9465
CA
LYS
G
107
11.348
−57.803
9.490
1.00
58.32
MOL3
C


ATOM
9466
CB
LYS
G
107
12.560
−58.703
9.756
1.00
64.24
MOL3
C


ATOM
9467
CG
LYS
G
107
12.556
−59.302
11.164
1.00
76.68
MOL3
C


ATOM
9468
CD
LYS
G
107
12.882
−60.809
11.191
1.00
84.55
MOL3
C


ATOM
9469
CE
LYS
G
107
12.665
−61.387
12.607
1.00
92.40
MOL3
C


ATOM
9470
NZ
LYS
G
107
13.074
−62.821
12.794
1.00
93.06
MOL3
N


ATOM
9471
C
LYS
G
107
11.290
−56.737
10.561
1.00
50.25
MOL3
C


ATOM
9472
O
LYS
G
107
11.867
−55.674
10.412
1.00
53.80
MOL3
O


ATOM
9473
N
ARG
G
108
10.576
−57.008
11.639
1.00
50.03
MOL3
N


ATOM
9474
CA
ARG
G
108
10.494
−56.038
12.717
1.00
55.61
MOL3
C


ATOM
9475
CB
ARG
G
108
9.475
−54.948
12.375
1.00
57.58
MOL3
C


ATOM
9476
CG
ARG
G
108
8.027
−55.399
12.345
1.00
61.93
MOL3
C


ATOM
9477
CD
ARG
G
108
7.352
−55.151
13.680
1.00
64.48
MOL3
C


ATOM
9478
NE
ARG
G
108
6.746
−53.827
13.804
1.00
67.68
MOL3
N


ATOM
9479
CZ
ARG
G
108
6.291
−53.321
14.950
1.00
72.94
MOL3
C


ATOM
9480
NH1
ARG
G
108
6.386
−54.027
16.072
1.00
69.80
MOL3
N


ATOM
9481
NH2
ARG
G
108
5.721
−52.119
14.980
1.00
70.24
MOL3
N


ATOM
9482
C
ARG
G
108
10.175
−56.658
14.080
1.00
60.90
MOL3
C


ATOM
9483
O
ARG
G
108
9.930
−57.867
14.210
1.00
65.41
MOL3
O


ATOM
9484
N
THR
G
109
10.211
−55.817
15.105
1.00
62.58
MOL3
N


ATOM
9485
CA
THR
G
109
9.940
−56.237
16.471
1.00
60.47
MOL3
C


ATOM
9486
CB
THR
G
109
10.003
−55.043
17.404
1.00
60.71
MOL3
C


ATOM
9487
OG1
THR
G
109
9.235
−55.311
18.580
1.00
73.35
MOL3
O


ATOM
9488
CG2
THR
G
109
9.408
−53.842
16.721
1.00
66.48
MOL3
C


ATOM
9489
C
THR
G
109
8.543
−56.816
16.562
1.00
59.71
MOL3
C


ATOM
9490
O
THR
G
109
7.607
−56.240
16.026
1.00
58.88
MOL3
O


ATOM
9491
N
ASP
G
110
8.393
−57.943
17.251
1.00
61.73
MOL3
N


ATOM
9492
CA
ASP
G
110
7.075
−58.564
17.399
1.00
60.21
MOL3
C


ATOM
9493
CB
ASP
G
110
7.203
−59.886
18.156
1.00
65.63
MOL3
C


ATOM
9494
CG
ASP
G
110
8.011
−60.914
17.387
1.00
75.02
MOL3
C


ATOM
9495
OD1
ASP
G
110
9.028
−60.522
16.767
1.00
80.50
MOL3
O


ATOM
9496
OD2
ASP
G
110
7.637
−62.109
17.407
1.00
75.96
MOL3
O


ATOM
9497
C
ASP
G
110
6.102
−57.638
18.127
1.00
54.74
MOL3
C


ATOM
9498
O
ASP
G
110
6.510
−56.783
18.921
1.00
47.51
MOL3
O


ATOM
9499
N
ALA
G
111
4.815
−57.788
17.832
1.00
49.84
MOL3
N


ATOM
9500
CA
ALA
G
111
3.798
−56.966
18.481
1.00
53.97
MOL3
C


ATOM
9501
CB
ALA
G
111
3.636
−55.640
17.783
1.00
51.21
MOL3
C


ATOM
9502
C
ALA
G
111
2.473
−57.699
18.512
1.00
58.54
MOL3
C


ATOM
9503
O
ALA
G
111
2.041
−58.288
17.517
1.00
53.64
MOL3
O


ATOM
9504
N
ALA
G
112
1.833
−57.663
19.676
1.00
62.23
MOL3
N


ATOM
9505
CA
ALA
G
112
0.564
−58.345
19.866
1.00
57.12
MOL3
C


ATOM
9506
CB
ALA
G
112
0.285
−58.531
21.339
1.00
60.78
MOL3
C


ATOM
9507
C
ALA
G
112
−0.572
−57.595
19.226
1.00
56.03
MOL3
C


ATOM
9508
O
ALA
G
112
−0.569
−56.362
19.147
1.00
61.24
MOL3
O


ATOM
9509
N
PRO
G
113
−1.573
−58.338
18.761
1.00
51.66
MOL3
N


ATOM
9510
CD
PRO
G
113
−1.613
−59.802
18.801
1.00
51.71
MOL3
C


ATOM
9511
CA
PRO
G
113
−2.769
−57.824
18.108
1.00
52.64
MOL3
C


ATOM
9512
CB
PRO
G
113
−3.399
−59.073
17.523
1.00
52.21
MOL3
C


ATOM
9513
CG
PRO
G
113
−3.086
−60.069
18.534
1.00
52.02
MOL3
C


ATOM
9514
C
PRO
G
113
−3.695
−57.165
19.087
1.00
55.64
MOL3
C


ATOM
9515
O
PRO
G
113
−3.695
−57.483
20.272
1.00
58.00
MOL3
O


ATOM
9516
N
THR
G
114
−4.496
−56.250
18.570
1.00
60.16
MOL3
N


ATOM
9517
CA
THR
G
114
−5.474
−55.537
19.368
1.00
64.05
MOL3
C


ATOM
9518
CB
THR
G
114
−5.299
−54.054
19.174
1.00
62.25
MOL3
C


ATOM
9519
OG1
THR
G
114
−3.938
−53.718
19.479
1.00
69.10
MOL3
O


ATOM
9520
CG2
THR
G
114
−6.260
−53.285
20.055
1.00
54.79
MOL3
C


ATOM
9521
C
THR
G
114
−6.823
−55.980
18.833
1.00
66.27
MOL3
C


ATOM
9522
O
THR
G
114
−7.265
−55.517
17.785
1.00
68.25
MOL3
O


ATOM
9523
N
VAL
G
115
−7.474
−56.888
19.550
1.00
66.96
MOL3
N


ATOM
9524
CA
VAL
G
115
−8.755
−57.412
19.098
1.00
65.05
MOL3
C


ATOM
9525
CB
VAL
G
115
−8.996
−58.818
19.640
1.00
60.15
MOL3
C


ATOM
9526
CG1
VAL
G
115
−10.030
−59.531
18.791
1.00
52.83
MOL3
C


ATOM
9527
CG2
VAL
G
115
−7.697
−59.579
19.652
1.00
64.42
MOL3
C


ATOM
9528
C
VAL
G
115
−9.960
−56.563
19.450
1.00
67.57
MOL3
C


ATOM
9529
O
VAL
G
115
−9.931
−55.750
20.378
1.00
69.52
MOL3
O


ATOM
9530
N
SER
G
116
−11.028
−56.776
18.690
1.00
69.63
MOL3
N


ATOM
9531
CA
SER
G
116
−12.285
−56.062
18.870
1.00
70.90
MOL3
C


ATOM
9532
CB
SER
G
116
−12.180
−54.701
18.203
1.00
75.40
MOL3
C


ATOM
9533
OG
SER
G
116
−11.305
−54.796
17.089
1.00
82.22
MOL3
O


ATOM
9534
C
SER
G
116
−13.398
−56.885
18.231
1.00
67.95
MOL3
C


ATOM
9535
O
SER
G
116
−13.283
−57.307
17.083
1.00
63.09
MOL3
O


ATOM
9536
N
ILE
G
117
−14.466
−57.129
18.981
1.00
67.87
MOL3
N


ATOM
9537
CA
ILE
G
117
−15.580
−57.916
18.461
1.00
69.73
MOL3
C


ATOM
9538
CB
ILE
G
117
−15.907
−59.111
19.385
1.00
70.07
MOL3
C


ATOM
9539
CG2
ILE
G
117
−16.750
−58.648
20.557
1.00
69.94
MOL3
C


ATOM
9540
CG1
ILE
G
117
−16.697
−60.170
18.619
1.00
70.23
MOL3
C


ATOM
9541
CD1
ILE
G
117
−16.683
−61.525
19.300
1.00
70.26
MOL3
C


ATOM
9542
C
ILE
G
117
−16.833
−57.054
18.311
1.00
71.08
MOL3
C


ATOM
9543
O
ILE
G
117
−17.148
−56.227
19.174
1.00
69.98
MOL3
O


ATOM
9544
N
PHE
G
118
−17.549
−57.259
17.211
1.00
70.99
MOL3
N


ATOM
9545
CA
PHE
G
118
−18.750
−56.487
16.922
1.00
69.44
MOL3
C


ATOM
9546
CB
PHE
G
118
−18.530
−55.614
15.681
1.00
62.42
MOL3
C


ATOM
9547
CG
PHE
G
118
−17.466
−54.575
15.846
1.00
54.81
MOL3
C


ATOM
9548
CD1
PHE
G
118
−16.128
−54.925
15.839
1.00
55.60
MOL3
C


ATOM
9549
CD2
PHE
G
118
−17.805
−53.242
16.011
1.00
51.96
MOL3
C


ATOM
9550
CE1
PHE
G
118
−15.142
−53.959
15.992
1.00
54.63
MOL3
C


ATOM
9551
CE2
PHE
G
118
−16.834
−52.270
16.164
1.00
49.00
MOL3
C


ATOM
9552
CZ
PHE
G
118
−15.495
−52.632
16.154
1.00
52.65
MOL3
C


ATOM
9553
C
PHE
G
118
−19.996
−57.332
16.686
1.00
72.36
MOL3
C


ATOM
9554
O
PHE
G
118
−20.001
−58.243
15.850
1.00
71.00
MOL3
O


ATOM
9555
N
PRO
G
119
−21.083
−57.014
17.407
1.00
75.07
MOL3
N


ATOM
9556
CD
PRO
G
119
−21.103
−55.985
18.455
1.00
76.76
MOL3
C


ATOM
9557
CA
PRO
G
119
−22.382
−57.694
17.332
1.00
73.75
MOL3
C


ATOM
9558
CB
PRO
G
119
−23.150
−57.126
18.519
1.00
75.13
MOL3
C


ATOM
9559
CG
PRO
G
119
−22.062
−56.590
19.432
1.00
80.98
MOL3
C


ATOM
9560
C
PRO
G
119
−23.027
−57.282
16.036
1.00
70.57
MOL3
C


ATOM
9561
O
PRO
G
119
−22.787
−56.185
15.554
1.00
73.68
MOL3
O


ATOM
9562
N
PRO
G
120
−23.857
−58.150
15.457
1.00
69.35
MOL3
N


ATOM
9563
CD
PRO
G
120
−24.086
−59.537
15.888
1.00
74.69
MOL3
C


ATOM
9564
CA
PRO
G
120
−24.552
−57.875
14.199
1.00
69.18
MOL3
C


ATOM
9565
CB
PRO
G
120
−25.495
−59.055
14.060
1.00
67.07
MOL3
C


ATOM
9566
CG
PRO
G
120
−24.688
−60.165
14.633
1.00
76.37
MOL3
C


ATOM
9567
C
PRO
G
120
−25.294
−56.559
14.209
1.00
73.59
MOL3
C


ATOM
9568
O
PRO
G
120
−25.978
−56.215
15.171
1.00
77.28
MOL3
O


ATOM
9569
N
SER
G
121
−25.145
−55.815
13.127
1.00
80.20
MOL3
N


ATOM
9570
CA
SER
G
121
−25.808
−54.532
13.000
1.00
86.41
MOL3
C


ATOM
9571
CB
SER
G
121
−25.455
−53.930
11.640
1.00
85.97
MOL3
C


ATOM
9572
OG
SER
G
121
−26.166
−52.727
11.424
1.00
92.58
MOL3
O


ATOM
9573
C
SER
G
121
−27.322
−54.730
13.110
1.00
88.90
MOL3
C


ATOM
9574
O
SER
G
121
−27.882
−55.582
12.422
1.00
90.54
MOL3
O


ATOM
9575
N
SER
G
122
−27.979
−53.963
13.977
1.00
88.80
MOL3
N


ATOM
9576
CA
SER
G
122
−29.427
−54.064
14.126
1.00
88.92
MOL3
C


ATOM
9577
CB
SER
G
122
−29.949
−52.912
14.982
1.00
87.53
MOL3
C


ATOM
9578
OG
SER
G
122
−29.744
−51.671
14.324
1.00
81.66
MOL3
O


ATOM
9579
C
SER
G
122
−30.018
−53.959
12.721
1.00
91.86
MOL3
C


ATOM
9580
O
SER
G
122
−30.960
−54.682
12.368
1.00
95.70
MOL3
O


ATOM
9581
N
GLU
G
123
−29.448
−53.049
11.929
1.00
88.58
MOL3
N


ATOM
9582
CA
GLU
G
123
−29.878
−52.829
10.552
1.00
90.03
MOL3
C


ATOM
9583
CB
GLU
G
123
−28.981
−51.806
9.859
1.00
93.16
MOL3
C


ATOM
9584
CG
GLU
G
123
−29.097
−50.381
10.358
1.00
104.12
MOL3
C


ATOM
9585
CD
GLU
G
123
−28.124
−49.442
9.649
1.00
107.92
MOL3
C


ATOM
9586
OE1
GLU
G
123
−28.038
−49.505
8.399
1.00
107.64
MOL3
O


ATOM
9587
OE2
GLU
G
123
−27.451
−48.641
10.339
1.00
106.83
MOL3
O


ATOM
9588
C
GLU
G
123
−29.784
−54.122
9.766
1.00
89.02
MOL3
C


ATOM
9589
O
GLU
G
123
−30.599
−54.395
8.887
1.00
90.23
MOL3
O


ATOM
9590
N
GLN
G
124
−28.772
−54.919
10.074
1.00
87.71
MOL3
N


ATOM
9591
CA
GLN
G
124
−28.590
−56.166
9.359
1.00
85.87
MOL3
C


ATOM
9592
CB
GLN
G
124
−27.158
−56.700
9.549
1.00
83.04
MOL3
C


ATOM
9593
CG
GLN
G
124
−26.679
−57.575
8.380
1.00
72.78
MOL3
C


ATOM
9594
CD
GLN
G
124
−25.579
−58.571
8.745
1.00
67.34
MOL3
C


ATOM
9595
OE1
GLN
G
124
−25.236
−59.432
7.941
1.00
64.50
MOL3
O


ATOM
9596
NE2
GLN
G
124
−25.029
−58.458
9.952
1.00
62.37
MOL3
N


ATOM
9597
C
GLN
G
124
−29.624
−57.200
9.804
1.00
88.09
MOL3
C


ATOM
9598
O
GLN
G
124
−30.260
−57.840
8.969
1.00
88.19
MOL3
O


ATOM
9599
N
LEU
G
125
−29.800
−57.345
11.116
1.00
88.35
MOL3
N


ATOM
9600
CA
LEU
G
125
−30.749
−58.302
11.664
1.00
88.57
MOL3
C


ATOM
9601
CB
LEU
G
125
−30.919
−58.060
13.154
1.00
81.47
MOL3
C


ATOM
9602
CG
LEU
G
125
−29.566
−58.007
13.846
1.00
80.53
MOL3
C


ATOM
9603
CD1
LEU
G
125
−29.715
−58.053
15.361
1.00
81.15
MOL3
C


ATOM
9604
CD2
LEU
G
125
−28.758
−59.180
13.353
1.00
82.76
MOL3
C


ATOM
9605
C
LEU
G
125
−32.089
−58.185
10.964
1.00
94.05
MOL3
C


ATOM
9606
O
LEU
G
125
−32.764
−59.186
10.721
1.00
99.06
MOL3
O


ATOM
9607
N
THR
G
126
−32.470
−56.957
10.635
1.00
94.75
MOL3
N


ATOM
9608
CA
THR
G
126
−33.729
−56.724
9.955
1.00
98.01
MOL3
C


ATOM
9609
CB
THR
G
126
−34.145
−55.249
10.056
1.00
99.91
MOL3
C


ATOM
9610
OG1
THR
G
126
−33.243
−54.445
9.290
1.00
106.32
MOL3
O


ATOM
9611
CG2
THR
G
126
−34.118
−54.792
11.511
1.00
96.26
MOL3
C


ATOM
9612
C
THR
G
126
−33.588
−57.123
8.488
1.00
98.92
MOL3
C


ATOM
9613
O
THR
G
126
−33.844
−56.334
7.581
1.00
100.22
MOL3
O


ATOM
9614
N
SER
G
127
−33.166
−58.360
8.268
1.00
100.96
MOL3
N


ATOM
9615
CA
SER
G
127
−33.001
−58.884
6.925
1.00
102.45
MOL3
C


ATOM
9616
CB
SER
G
127
−31.882
−58.136
6.206
1.00
101.05
MOL3
C


ATOM
9617
OG
SER
G
127
−32.089
−58.172
4.807
1.00
101.36
MOL3
O


ATOM
9618
C
SER
G
127
−32.701
−60.385
6.991
1.00
105.77
MOL3
C


ATOM
9619
O
SER
G
127
−32.175
−60.974
6.044
1.00
106.86
MOL3
O


ATOM
9620
N
GLY
G
128
−33.046
−60.994
8.126
1.00
107.93
MOL3
N


ATOM
9621
CA
GLY
G
128
−32.845
−62.422
8.321
1.00
105.90
MOL3
C


ATOM
9622
C
GLY
G
128
−31.399
−62.877
8.319
1.00
104.35
MOL3
C


ATOM
9623
O
GLY
G
128
−31.117
−64.069
8.144
1.00
106.10
MOL3
O


ATOM
9624
N
GLY
G
129
−30.482
−61.933
8.515
1.00
98.25
MOL3
N


ATOM
9625
CA
GLY
G
129
−29.072
−62.272
8.531
1.00
92.35
MOL3
C


ATOM
9626
C
GLY
G
129
−28.356
−61.561
9.655
1.00
88.02
MOL3
C


ATOM
9627
O
GLY
G
129
−28.850
−60.549
10.158
1.00
84.86
MOL3
O


ATOM
9628
N
ALA
G
130
−27.201
−62.092
10.051
1.00
83.24
MOL3
N


ATOM
9629
CA
ALA
G
130
−26.406
−61.500
11.124
1.00
78.99
MOL3
C


ATOM
9630
CB
ALA
G
130
−26.986
−61.877
12.471
1.00
81.34
MOL3
C


ATOM
9631
C
ALA
G
130
−24.957
−61.949
11.037
1.00
75.59
MOL3
C


ATOM
9632
O
ALA
G
130
−24.675
−63.136
10.889
1.00
77.64
MOL3
O


ATOM
9633
N
SER
G
131
−24.043
−60.988
11.134
1.00
72.17
MOL3
N


ATOM
9634
CA
SER
G
131
−22.609
−61.264
11.054
1.00
70.55
MOL3
C


ATOM
9635
CB
SER
G
131
−22.006
−60.599
9.805
1.00
72.57
MOL3
C


ATOM
9636
OG
SER
G
131
−22.620
−61.021
8.601
1.00
74.24
MOL3
O


ATOM
9637
C
SER
G
131
−21.864
−60.719
12.266
1.00
67.32
MOL3
C


ATOM
9638
O
SER
G
131
−22.089
−59.584
12.682
1.00
68.97
MOL3
O


ATOM
9639
N
VAL
G
132
−20.967
−61.514
12.827
1.00
61.90
MOL3
N


ATOM
9640
CA
VAL
G
132
−20.195
−61.036
13.952
1.00
64.01
MOL3
C


ATOM
9641
CB
VAL
G
132
−20.099
−62.062
15.040
1.00
70.94
MOL3
C


ATOM
9642
CG1
VAL
G
132
−19.661
−61.380
16.337
1.00
74.41
MOL3
C


ATOM
9643
CG2
VAL
G
132
−21.425
−62.771
15.180
1.00
77.72
MOL3
C


ATOM
9644
C
VAL
G
132
−18.803
−60.775
13.435
1.00
63.54
MOL3
C


ATOM
9645
O
VAL
G
132
−18.135
−61.678
12.939
1.00
64.96
MOL3
O


ATOM
9646
N
VAL
G
133
−18.364
−59.533
13.557
1.00
62.84
MOL3
N


ATOM
9647
CA
VAL
G
133
−17.059
−59.143
13.068
1.00
61.23
MOL3
C


ATOM
9648
CB
VAL
G
133
−17.155
−57.818
12.311
1.00
62.34
MOL3
C


ATOM
9649
CG1
VAL
G
133
−15.788
−57.429
11.772
1.00
62.81
MOL3
C


ATOM
9650
CG2
VAL
G
133
−18.183
−57.937
11.193
1.00
60.96
MOL3
C


ATOM
9651
C
VAL
G
133
−16.029
−58.990
14.168
1.00
61.49
MOL3
C


ATOM
9652
O
VAL
G
133
−16.300
−58.410
15.218
1.00
61.66
MOL3
O


ATOM
9653
N
CYS
G
134
−14.836
−59.503
13.905
1.00
61.34
MOL3
N


ATOM
9654
CA
CYS
G
134
−13.753
−59.426
14.857
1.00
63.20
MOL3
C


ATOM
9655
C
CYS
G
134
−12.486
−58.942
14.146
1.00
61.23
MOL3
C


ATOM
9656
O
CYS
G
134
−12.020
−59.574
13.194
1.00
55.75
MOL3
O


ATOM
9657
CB
CYS
G
134
−13.536
−60.800
15.477
1.00
66.10
MOL3
C


ATOM
9658
SG
CYS
G
134
−12.545
−60.717
16.988
1.00
79.72
MOL3
S


ATOM
9659
N
PHE
G
135
−11.949
−57.811
14.606
1.00
60.15
MOL3
N


ATOM
9660
CA
PHE
G
135
−10.740
−57.226
14.030
1.00
58.08
MOL3
C


ATOM
9661
CB
PHE
G
135
−10.891
−55.709
13.881
1.00
52.88
MOL3
C


ATOM
9662
CG
PHE
G
135
−11.871
−55.295
12.824
1.00
59.57
MOL3
C


ATOM
9663
CD1
PHE
G
135
−12.689
−54.190
13.014
1.00
59.21
MOL3
C


ATOM
9664
CD2
PHE
G
135
−11.975
−56.001
11.635
1.00
60.35
MOL3
C


ATOM
9665
CE1
PHE
G
135
−13.596
−53.796
12.036
1.00
57.13
MOL3
C


ATOM
9666
CE2
PHE
G
135
−12.880
−55.610
10.653
1.00
58.75
MOL3
C


ATOM
9667
CZ
PHE
G
135
−13.689
−54.507
10.857
1.00
56.82
MOL3
C


ATOM
9668
C
PHE
G
135
−9.526
−57.504
14.902
1.00
59.96
MOL3
C


ATOM
9669
O
PHE
G
135
−9.570
−57.320
16.122
1.00
62.07
MOL3
O


ATOM
9670
N
LEU
G
136
−8.451
−57.968
14.273
1.00
58.93
MOL3
N


ATOM
9671
CA
LEU
G
136
−7.194
−58.232
14.973
1.00
58.93
MOL3
C


ATOM
9672
CB
LEU
G
136
−6.729
−59.685
14.772
1.00
57.75
MOL3
C


ATOM
9673
CG
LEU
G
136
−7.605
−60.857
15.231
1.00
54.84
MOL3
C


ATOM
9674
CD1
LEU
G
136
−8.895
−60.870
14.426
1.00
58.56
MOL3
C


ATOM
9675
CD2
LEU
G
136
−6.863
−62.172
15.036
1.00
49.67
MOL3
C


ATOM
9676
C
LEU
G
136
−6.231
−57.277
14.274
1.00
59.50
MOL3
C


ATOM
9677
O
LEU
G
136
−5.652
−57.607
13.240
1.00
62.27
MOL3
O


ATOM
9678
N
ASN
G
137
−6.059
−56.089
14.835
1.00
56.71
MOL3
N


ATOM
9679
CA
ASN
G
137
−5.215
−55.095
14.200
1.00
55.72
MOL3
C


ATOM
9680
CB
ASN
G
137
−5.887
−53.716
14.259
1.00
59.86
MOL3
C


ATOM
9681
CG
ASN
G
137
−7.166
−53.642
13.447
1.00
61.03
MOL3
C


ATOM
9682
OD1
ASN
G
137
−7.364
−54.407
12.506
1.00
64.04
MOL3
O


ATOM
9683
ND2
ASN
G
137
−8.033
−52.698
13.797
1.00
62.22
MOL3
N


ATOM
9684
C
ASN
G
137
−3.795
−54.929
14.690
1.00
57.23
MOL3
C


ATOM
9685
O
ASN
G
137
−3.467
−55.182
15.845
1.00
59.63
MOL3
O


ATOM
9686
N
ASN
G
138
−2.966
−54.463
13.767
1.00
62.41
MOL3
N


ATOM
9687
CA
ASN
G
138
−1.561
−54.162
13.996
1.00
64.31
MOL3
C


ATOM
9688
CB
ASN
G
138
−1.441
−52.794
14.650
1.00
68.13
MOL3
C


ATOM
9689
CG
ASN
G
138
−2.342
−51.783
14.014
1.00
72.04
MOL3
C


ATOM
9690
OD1
ASN
G
138
−2.252
−51.524
12.811
1.00
72.39
MOL3
O


ATOM
9691
ND2
ASN
G
138
−3.236
−51.207
14.813
1.00
80.31
MOL3
N


ATOM
9692
C
ASN
G
138
−0.773
−55.158
14.813
1.00
59.99
MOL3
C


ATOM
9693
O
ASN
G
138
−0.503
−54.926
15.988
1.00
64.26
MOL3
O


ATOM
9694
N
PHE
G
139
−0.383
−56.258
14.192
1.00
53.94
MOL3
N


ATOM
9695
CA
PHE
G
139
0.403
−57.244
14.909
1.00
59.73
MOL3
C


ATOM
9696
CB
PHE
G
139
−0.486
−58.416
15.366
1.00
60.06
MOL3
C


ATOM
9697
CG
PHE
G
139
−1.159
−59.163
14.248
1.00
54.71
MOL3
C


ATOM
9698
CD1
PHE
G
139
−0.525
−60.218
13.623
1.00
50.69
MOL3
C


ATOM
9699
CD2
PHE
G
139
−2.436
−58.814
13.835
1.00
57.51
MOL3
C


ATOM
9700
CE1
PHE
G
139
−1.155
−60.914
12.607
1.00
55.12
MOL3
C


ATOM
9701
CE2
PHE
G
139
−3.070
−59.507
12.819
1.00
56.29
MOL3
C


ATOM
9702
CZ
PHE
G
139
−2.428
−60.557
12.206
1.00
52.91
MOL3
C


ATOM
9703
C
PHE
G
139
1.582
−57.733
14.076
1.00
60.66
MOL3
C


ATOM
9704
O
PHE
G
139
1.694
−57.394
12.900
1.00
68.95
MOL3
O


ATOM
9705
N
TYR
G
140
2.473
−58.502
14.697
1.00
56.57
MOL3
N


ATOM
9706
CA
TYR
G
140
3.643
−59.036
14.017
1.00
51.98
MOL3
C


ATOM
9707
CB
TYR
G
140
4.698
−57.956
13.795
1.00
59.30
MOL3
C


ATOM
9708
CG
TYR
G
140
5.811
−58.435
12.897
1.00
62.50
MOL3
C


ATOM
9709
CD1
TYR
G
140
5.587
−58.621
11.547
1.00
66.09
MOL3
C


ATOM
9710
CE1
TYR
G
140
6.548
−59.154
10.722
1.00
67.77
MOL3
C


ATOM
9711
CD2
TYR
G
140
7.049
−58.789
13.404
1.00
65.14
MOL3
C


ATOM
9712
CE2
TYR
G
140
8.026
−59.325
12.575
1.00
69.26
MOL3
C


ATOM
9713
CZ
TYR
G
140
7.758
−59.506
11.235
1.00
65.47
MOL3
C


ATOM
9714
OH
TYR
G
140
8.673
−60.074
10.392
1.00
65.00
MOL3
O


ATOM
9715
C
TYR
G
140
4.264
−60.132
14.855
1.00
53.24
MOL3
C


ATOM
9716
O
TYR
G
140
4.395
−59.993
16.074
1.00
56.49
MOL3
O


ATOM
9717
N
PRO
G
141
4.680
−61.230
14.216
1.00
51.56
MOL3
N


ATOM
9718
CD
PRO
G
141
5.455
−62.287
14.880
1.00
50.59
MOL3
C


ATOM
9719
CA
PRO
G
141
4.595
−61.482
12.777
1.00
57.08
MOL3
C


ATOM
9720
CB
PRO
G
141
5.491
−62.701
12.585
1.00
59.79
MOL3
C


ATOM
9721
CG
PRO
G
141
5.371
−63.406
13.887
1.00
57.48
MOL3
C


ATOM
9722
C
PRO
G
141
3.178
−61.709
12.277
1.00
60.51
MOL3
C


ATOM
9723
O
PRO
G
141
2.216
−61.594
13.041
1.00
55.20
MOL3
O


ATOM
9724
N
LYS
G
142
3.071
−62.034
10.989
1.00
64.09
MOL3
N


ATOM
9725
CA
LYS
G
142
1.786
−62.239
10.325
1.00
68.66
MOL3
C


ATOM
9726
CB
LYS
G
142
1.971
−62.222
8.803
1.00
71.39
MOL3
C


ATOM
9727
CG
LYS
G
142
3.050
−63.186
8.328
1.00
77.11
MOL3
C


ATOM
9728
CD
LYS
G
142
3.074
−63.350
6.822
1.00
74.18
MOL3
C


ATOM
9729
CE
LYS
G
142
4.323
−64.109
6.405
1.00
78.10
MOL3
C


ATOM
9730
NZ
LYS
G
142
4.537
−65.339
7.227
1.00
78.29
MOL3
N


ATOM
9731
C
LYS
G
142
1.083
−63.524
10.709
1.00
68.55
MOL3
C


ATOM
9732
O
LYS
G
142
−0.146
−63.600
10.676
1.00
67.33
MOL3
O


ATOM
9733
N
ASP
G
143
1.855
−64.546
11.050
1.00
72.24
MOL3
N


ATOM
9734
CA
ASP
G
143
1.252
−65.825
11.417
1.00
78.88
MOL3
C


ATOM
9735
CB
ASP
G
143
2.325
−66.898
11.693
1.00
95.87
MOL3
C


ATOM
9736
CG
ASP
G
143
3.157
−67.246
10.454
1.00
111.13
MOL3
C


ATOM
9737
OD1
ASP
G
143
2.596
−67.846
9.505
1.00
117.55
MOL3
O


ATOM
9738
OD2
ASP
G
143
4.372
−66.919
10.429
1.00
115.57
MOL3
O


ATOM
9739
C
ASP
G
143
0.413
−65.639
12.664
1.00
72.28
MOL3
C


ATOM
9740
O
ASP
G
143
0.928
−65.311
13.726
1.00
74.20
MOL3
O


ATOM
9741
N
ILE
G
144
−0.891
−65.817
12.532
1.00
68.45
MOL3
N


ATOM
9742
CA
ILE
G
144
−1.772
−65.703
13.685
1.00
66.27
MOL3
C


ATOM
9743
CB
ILE
G
144
−2.317
−64.286
13.903
1.00
65.85
MOL3
C


ATOM
9744
CG2
ILE
G
144
−3.636
−64.111
13.172
1.00
62.97
MOL3
C


ATOM
9745
CG1
ILE
G
144
−2.594
−64.078
15.390
1.00
66.78
MOL3
C


ATOM
9746
CD1
ILE
G
144
−3.305
−62.784
15.706
1.00
70.79
MOL3
C


ATOM
9747
C
ILE
G
144
−2.945
−66.624
13.450
1.00
66.44
MOL3
C


ATOM
9748
O
ILE
G
144
−3.213
−67.026
12.325
1.00
69.05
MOL3
O


ATOM
9749
N
ASN
G
145
−3.654
−66.969
14.509
1.00
70.48
MOL3
N


ATOM
9750
CA
ASN
G
145
−4.778
−67.865
14.340
1.00
75.42
MOL3
C


ATOM
9751
CB
ASN
G
145
−4.360
−69.294
14.683
1.00
84.58
MOL3
C


ATOM
9752
CG
ASN
G
145
−5.480
−70.279
14.481
1.00
95.33
MOL3
C


ATOM
9753
OD1
ASN
G
145
−6.085
−70.332
13.405
1.00
104.55
MOL3
O


ATOM
9754
ND2
ASN
G
145
−5.773
−71.068
15.514
1.00
99.08
MOL3
N


ATOM
9755
C
ASN
G
145
−5.990
−67.456
15.163
1.00
75.42
MOL3
C


ATOM
9756
O
ASN
G
145
−5.891
−67.205
16.368
1.00
77.45
MOL3
O


ATOM
9757
N
VAL
G
146
−7.137
−67.386
14.495
1.00
73.39
MOL3
N


ATOM
9758
CA
VAL
G
146
−8.383
−67.004
15.150
1.00
75.23
MOL3
C


ATOM
9759
CB
VAL
G
146
−9.191
−65.996
14.326
1.00
75.12
MOL3
C


ATOM
9760
CG1
VAL
G
146
−9.664
−66.641
13.031
1.00
79.48
MOL3
C


ATOM
9761
CG2
VAL
G
146
−10.395
−65.538
15.122
1.00
77.82
MOL3
C


ATOM
9762
C
VAL
G
146
−9.294
−68.202
15.365
1.00
80.03
MOL3
C


ATOM
9763
O
VAL
G
146
−9.412
−69.075
14.496
1.00
83.39
MOL3
O


ATOM
9764
N
LYS
G
147
−9.943
−68.232
16.525
1.00
81.58
MOL3
N


ATOM
9765
CA
LYS
G
147
−10.869
−69.307
16.862
1.00
81.06
MOL3
C


ATOM
9766
CB
LYS
G
147
−10.309
−70.171
18.001
1.00
88.49
MOL3
C


ATOM
9767
CG
LYS
G
147
−11.250
−71.290
18.466
1.00
95.72
MOL3
C


ATOM
9768
CD
LYS
G
147
−10.867
−71.867
19.848
1.00
103.44
MOL3
C


ATOM
9769
CE
LYS
G
147
−9.612
−72.749
19.802
1.00
109.76
MOL3
C


ATOM
9770
NZ
LYS
G
147
−9.194
−73.266
21.148
1.00
107.54
MOL3
N


ATOM
9771
C
LYS
G
147
−12.182
−68.671
17.303
1.00
79.53
MOL3
C


ATOM
9772
O
LYS
G
147
−12.181
−67.742
18.122
1.00
73.12
MOL3
O


ATOM
9773
N
TRP
G
148
−13.292
−69.150
16.739
1.00
79.00
MOL3
N


ATOM
9774
CA
TRP
G
148
−14.620
−68.642
17.104
1.00
79.95
MOL3
C


ATOM
9775
CB
TRP
G
148
−15.516
−68.452
15.884
1.00
83.56
MOL3
C


ATOM
9776
CG
TRP
G
148
−15.232
−67.229
15.076
1.00
90.17
MOL3
C


ATOM
9777
CD2
TRP
G
148
−15.864
−65.950
15.205
1.00
90.02
MOL3
C


ATOM
9778
CE2
TRP
G
148
−15.314
−65.112
14.220
1.00
88.30
MOL3
C


ATOM
9779
CE3
TRP
G
148
−16.839
−65.436
16.057
1.00
91.12
MOL3
C


ATOM
9780
CD1
TRP
G
148
−14.344
−67.113
14.048
1.00
90.30
MOL3
C


ATOM
9781
NE1
TRP
G
148
−14.389
−65.845
13.526
1.00
90.45
MOL3
N


ATOM
9782
CZ2
TRP
G
148
−15.708
−63.790
14.063
1.00
87.46
MOL3
C


ATOM
9783
CZ3
TRP
G
148
−17.226
−64.125
15.898
1.00
91.84
MOL3
C


ATOM
9784
CH2
TRP
G
148
−16.662
−63.317
14.910
1.00
88.91
MOL3
C


ATOM
9785
C
TRP
G
148
−15.322
−69.612
18.045
1.00
82.25
MOL3
C


ATOM
9786
O
TRP
G
148
−15.204
−70.833
17.895
1.00
84.18
MOL3
O


ATOM
9787
N
LYS
G
149
−16.065
−69.069
19.007
1.00
83.17
MOL3
N


ATOM
9788
CA
LYS
G
149
−16.788
−69.896
19.980
1.00
82.26
MOL3
C


ATOM
9789
CB
LYS
G
149
−16.024
−69.975
21.315
1.00
79.77
MOL3
C


ATOM
9790
CG
LYS
G
149
−14.836
−70.934
21.359
1.00
78.20
MOL3
C


ATOM
9791
CD
LYS
G
149
−14.230
−70.986
22.760
1.00
75.18
MOL3
C


ATOM
9792
CE
LYS
G
149
−13.063
−71.955
22.824
1.00
79.05
MOL3
C


ATOM
9793
NZ
LYS
G
149
−12.535
−72.081
24.209
1.00
84.73
MOL3
N


ATOM
9794
C
LYS
G
149
−18.205
−69.405
20.281
1.00
83.68
MOL3
C


ATOM
9795
O
LYS
G
149
−18.392
−68.315
20.830
1.00
80.33
MOL3
O


ATOM
9796
N
ILE
G
150
−19.196
−70.220
19.921
1.00
86.68
MOL3
N


ATOM
9797
CA
ILE
G
150
−20.598
−69.904
20.189
1.00
87.86
MOL3
C


ATOM
9798
CB
ILE
G
150
−21.532
−70.330
19.037
1.00
86.02
MOL3
C


ATOM
9799
CG2
ILE
G
150
−22.933
−69.878
19.337
1.00
87.62
MOL3
C


ATOM
9800
CG1
ILE
G
150
−21.097
−69.705
17.715
1.00
86.63
MOL3
C


ATOM
9801
CD1
ILE
G
150
−22.057
−69.992
16.563
1.00
81.81
MOL3
C


ATOM
9802
C
ILE
G
150
−21.015
−70.694
21.434
1.00
90.38
MOL3
C


ATOM
9803
O
ILE
G
150
−21.044
−71.933
21.424
1.00
90.62
MOL3
O


ATOM
9804
N
ASP
G
151
−21.339
−69.977
22.503
1.00
92.97
MOL3
N


ATOM
9805
CA
ASP
G
151
−21.737
−70.612
23.754
1.00
97.87
MOL3
C


ATOM
9806
CB
ASP
G
151
−23.142
−71.224
23.629
1.00
105.42
MOL3
C


ATOM
9807
CG
ASP
G
151
−24.238
−70.283
24.127
1.00
109.22
MOL3
C


ATOM
9808
OD1
ASP
G
151
−24.107
−69.782
25.267
1.00
112.65
MOL3
O


ATOM
9809
OD2
ASP
G
151
−25.227
−70.050
23.393
1.00
106.71
MOL3
O


ATOM
9810
C
ASP
G
151
−20.741
−71.668
24.234
1.00
97.93
MOL3
C


ATOM
9811
O
ASP
G
151
−21.128
−72.669
24.839
1.00
99.58
MOL3
O


ATOM
9812
N
GLY
G
152
−19.459
−71.442
23.959
1.00
96.41
MOL3
N


ATOM
9813
CA
GLY
G
152
−18.439
−72.374
24.408
1.00
95.92
MOL3
C


ATOM
9814
C
GLY
G
152
−17.883
−73.377
23.412
1.00
96.33
MOL3
C


ATOM
9815
O
GLY
G
152
−16.823
−73.962
23.662
1.00
98.05
MOL3
O


ATOM
9816
N
SER
G
153
−18.577
−73.598
22.297
1.00
95.12
MOL3
N


ATOM
9817
CA
SER
G
153
−18.091
−74.548
21.297
1.00
96.65
MOL3
C


ATOM
9818
CB
SER
G
153
−19.213
−75.502
20.858
1.00
100.75
MOL3
C


ATOM
9819
OG
SER
G
153
−19.102
−76.754
21.525
1.00
103.57
MOL3
O


ATOM
9820
C
SER
G
153
−17.466
−73.878
20.074
1.00
94.68
MOL3
C


ATOM
9821
O
SER
G
153
−17.938
−72.850
19.591
1.00
92.19
MOL3
O


ATOM
9822
N
GLU
G
154
−16.393
−74.481
19.584
1.00
94.33
MOL3
N


ATOM
9823
CA
GLU
G
154
−15.666
−73.973
18.431
1.00
94.79
MOL3
C


ATOM
9824
CB
GLU
G
154
−14.354
−74.758
18.301
1.00
102.83
MOL3
C


ATOM
9825
CG
GLU
G
154
−13.459
−74.392
17.127
1.00
110.04
MOL3
C


ATOM
9826
CD
GLU
G
154
−12.185
−75.219
17.110
1.00
114.65
MOL3
C


ATOM
9827
OE1
GLU
G
154
−12.284
−76.463
17.013
1.00
115.83
MOL3
O


ATOM
9828
OE2
GLU
G
154
−11.087
−74.627
17.199
1.00
118.09
MOL3
O


ATOM
9829
C
GLU
G
154
−16.479
−74.061
17.135
1.00
94.30
MOL3
C


ATOM
9830
O
GLU
G
154
−17.040
−75.112
16.806
1.00
95.73
MOL3
O


ATOM
9831
N
ARG
G
155
−16.549
−72.947
16.410
1.00
92.64
MOL3
N


ATOM
9832
CA
ARG
G
155
−17.266
−72.905
15.139
1.00
93.70
MOL3
C


ATOM
9833
CB
ARG
G
155
−18.348
−71.823
15.160
1.00
100.45
MOL3
C


ATOM
9834
CG
ARG
G
155
−19.171
−71.729
13.872
1.00
109.67
MOL3
C


ATOM
9835
CD
ARG
G
155
−19.914
−73.029
13.582
1.00
123.25
MOL3
C


ATOM
9836
NE
ARG
G
155
−20.850
−72.903
12.463
1.00
134.78
MOL3
N


ATOM
9837
CZ
ARG
G
155
−21.639
−73.884
12.024
1.00
138.84
MOL3
C


ATOM
9838
NH1
ARG
G
155
−21.613
−75.078
12.608
1.00
138.39
MOL3
N


ATOM
9839
NH2
ARG
G
155
−22.459
−73.672
11.000
1.00
139.22
MOL3
N


ATOM
9840
C
ARG
G
155
−16.260
−72.600
14.041
1.00
91.55
MOL3
C


ATOM
9841
O
ARG
G
155
−15.385
−71.748
14.215
1.00
92.19
MOL3
O


ATOM
9842
N
GLN
G
156
−16.376
−73.288
12.912
1.00
87.81
MOL3
N


ATOM
9843
CA
GLN
G
156
−15.440
−73.056
11.830
1.00
90.55
MOL3
C


ATOM
9844
CB
GLN
G
156
−14.591
−74.308
11.624
1.00
95.83
MOL3
C


ATOM
9845
CG
GLN
G
156
−14.291
−75.037
12.923
1.00
100.09
MOL3
C


ATOM
9846
CD
GLN
G
156
−13.026
−75.863
12.854
1.00
102.50
MOL3
C


ATOM
9847
OE1
GLN
G
156
−12.863
−76.711
11.973
1.00
103.44
MOL3
O


ATOM
9848
NE2
GLN
G
156
−12.119
−75.619
13.791
1.00
102.22
MOL3
N


ATOM
9849
C
GLN
G
156
−16.169
−72.689
10.551
1.00
91.14
MOL3
C


ATOM
9850
O
GLN
G
156
−15.755
−71.786
9.824
1.00
93.38
MOL3
O


ATOM
9851
N
ASN
G
157
−17.264
−73.389
10.290
1.00
92.22
MOL3
N


ATOM
9852
CA
ASN
G
157
−18.072
−73.167
9.098
1.00
93.67
MOL3
C


ATOM
9853
CB
ASN
G
157
−19.184
−74.217
9.050
1.00
103.01
MOL3
C


ATOM
9854
CG
ASN
G
157
−19.000
−75.313
10.104
1.00
113.70
MOL3
C


ATOM
9855
OD1
ASN
G
157
−18.963
−75.041
11.310
1.00
116.52
MOL3
O


ATOM
9856
ND2
ASN
G
157
−18.879
−76.558
9.650
1.00
120.16
MOL3
N


ATOM
9857
C
ASN
G
157
−18.690
−71.775
9.124
1.00
91.09
MOL3
C


ATOM
9858
O
ASN
G
157
−19.125
−71.302
10.172
1.00
90.64
MOL3
O


ATOM
9859
N
GLY
G
158
−18.733
−71.119
7.971
1.00
88.90
MOL3
N


ATOM
9860
CA
GLY
G
158
−19.320
−69.794
7.915
1.00
85.15
MOL3
C


ATOM
9861
C
GLY
G
158
−18.383
−68.697
8.376
1.00
83.29
MOL3
C


ATOM
9862
O
GLY
G
158
−18.819
−67.627
8.795
1.00
84.35
MOL3
O


ATOM
9863
N
VAL
G
159
−17.086
−68.955
8.312
1.00
80.65
MOL3
N


ATOM
9864
CA
VAL
G
159
−16.131
−67.943
8.715
1.00
77.65
MOL3
C


ATOM
9865
CB
VAL
G
159
−15.233
−68.440
9.841
1.00
79.21
MOL3
C


ATOM
9866
CG1
VAL
G
159
−14.099
−67.454
10.057
1.00
82.28
MOL3
C


ATOM
9867
CG2
VAL
G
159
−16.051
−68.590
11.113
1.00
76.09
MOL3
C


ATOM
9868
C
VAL
G
159
−15.270
−67.503
7.542
1.00
76.70
MOL3
C


ATOM
9869
O
VAL
G
159
−14.730
−68.332
6.805
1.00
78.83
MOL3
O


ATOM
9870
N
LEU
G
160
−15.166
−66.191
7.361
1.00
72.58
MOL3
N


ATOM
9871
CA
LEU
G
160
−14.370
−65.636
6.278
1.00
69.53
MOL3
C


ATOM
9872
CB
LEU
G
160
−15.273
−64.953
5.251
1.00
65.42
MOL3
C


ATOM
9873
CG
LEU
G
160
−15.965
−65.936
4.300
1.00
67.82
MOL3
C


ATOM
9874
CD1
LEU
G
160
−16.960
−65.220
3.396
1.00
68.08
MOL3
C


ATOM
9875
CD2
LEU
G
160
−14.904
−66.629
3.458
1.00
73.53
MOL3
C


ATOM
9876
C
LEU
G
160
−13.318
−64.669
6.795
1.00
70.51
MOL3
C


ATOM
9877
O
LEU
G
160
−13.617
−63.708
7.510
1.00
77.01
MOL3
O


ATOM
9878
N
ASN
G
161
−12.073
−64.930
6.430
1.00
66.58
MOL3
N


ATOM
9879
CA
ASN
G
161
−11.001
−64.076
6.881
1.00
67.48
MOL3
C


ATOM
9880
CB
ASN
G
161
−10.018
−64.905
7.679
1.00
70.89
MOL3
C


ATOM
9881
CG
ASN
G
161
−10.684
−65.600
8.832
1.00
75.10
MOL3
C


ATOM
9882
OD1
ASN
G
161
−11.721
−65.146
9.317
1.00
77.22
MOL3
O


ATOM
9883
ND2
ASN
G
161
−10.097
−66.699
9.291
1.00
78.58
MOL3
N


ATOM
9884
C
ASN
G
161
−10.300
−63.327
5.764
1.00
67.68
MOL3
C


ATOM
9885
O
ASN
G
161
−10.274
−63.770
4.618
1.00
68.83
MOL3
O


ATOM
9886
N
SER
G
162
−9.748
−62.173
6.113
1.00
65.86
MOL3
N


ATOM
9887
CA
SER
G
162
−9.045
−61.348
5.156
1.00
65.92
MOL3
C


ATOM
9888
CB
SER
G
162
−9.997
−60.323
4.550
1.00
65.97
MOL3
C


ATOM
9889
OG
SER
G
162
−9.422
−59.716
3.404
1.00
78.43
MOL3
O


ATOM
9890
C
SER
G
162
−7.907
−60.648
5.878
1.00
67.24
MOL3
C


ATOM
9891
O
SER
G
162
−8.121
−60.003
6.909
1.00
70.91
MOL3
O


ATOM
9892
N
TRP
G
163
−6.698
−60.789
5.338
1.00
66.24
MOL3
N


ATOM
9893
CA
TRP
G
163
−5.502
−60.181
5.920
1.00
64.80
MOL3
C


ATOM
9894
CB
TRP
G
163
−4.408
−61.248
6.071
1.00
68.16
MOL3
C


ATOM
9895
CG
TRP
G
163
−4.822
−62.514
6.795
1.00
76.12
MOL3
C


ATOM
9896
CD2
TRP
G
163
−5.513
−63.643
6.235
1.00
80.83
MOL3
C


ATOM
9897
CE2
TRP
G
163
−5.652
−64.603
7.264
1.00
83.42
MOL3
C


ATOM
9898
CE3
TRP
G
163
−6.025
−63.937
4.966
1.00
82.68
MOL3
C


ATOM
9899
CD1
TRP
G
163
−4.582
−62.830
8.104
1.00
80.00
MOL3
C


ATOM
9900
NE1
TRP
G
163
−5.076
−64.084
8.394
1.00
80.39
MOL3
N


ATOM
9901
CZ2
TRP
G
163
−6.281
−65.834
7.060
1.00
85.36
MOL3
C


ATOM
9902
CZ3
TRP
G
163
−6.648
−65.160
4.766
1.00
84.45
MOL3
C


ATOM
9903
CH2
TRP
G
163
−6.770
−66.092
5.807
1.00
87.80
MOL3
C


ATOM
9904
C
TRP
G
163
−4.982
−59.033
5.036
1.00
60.39
MOL3
C


ATOM
9905
O
TRP
G
163
−5.153
−59.050
3.818
1.00
60.85
MOL3
O


ATOM
9906
N
THR
G
164
−4.342
−58.045
5.650
1.00
56.00
MOL3
N


ATOM
9907
CA
THR
G
164
−3.800
−56.913
4.909
1.00
56.33
MOL3
C


ATOM
9908
CB
THR
G
164
−4.027
−55.612
5.673
1.00
54.45
MOL3
C


ATOM
9909
OG1
THR
G
164
−3.045
−55.487
6.712
1.00
41.34
MOL3
O


ATOM
9910
CG2
THR
G
164
−5.413
−55.610
6.283
1.00
48.18
MOL3
C


ATOM
9911
C
THR
G
164
−2.292
−57.082
4.717
1.00
59.82
MOL3
C


ATOM
9912
O
THR
G
164
−1.705
−58.035
5.205
1.00
56.32
MOL3
O


ATOM
9913
N
ASP
G
165
−1.658
−56.166
3.999
1.00
68.37
MOL3
N


ATOM
9914
CA
ASP
G
165
−0.215
−56.272
3.819
1.00
72.80
MOL3
C


ATOM
9915
CB
ASP
G
165
0.195
−55.934
2.387
1.00
88.52
MOL3
C


ATOM
9916
CG
ASP
G
165
0.372
−57.179
1.528
1.00
101.27
MOL3
C


ATOM
9917
OD1
ASP
G
165
1.022
−58.140
2.009
1.00
108.00
MOL3
O


ATOM
9918
OD2
ASP
G
165
−0.128
−57.195
0.378
1.00
107.68
MOL3
O


ATOM
9919
C
ASP
G
165
0.513
−55.375
4.803
1.00
68.97
MOL3
C


ATOM
9920
O
ASP
G
165
−0.095
−54.527
5.447
1.00
69.68
MOL3
O


ATOM
9921
N
GLN
G
166
1.817
−55.566
4.930
1.00
64.10
MOL3
N


ATOM
9922
CA
GLN
G
166
2.572
−54.768
5.880
1.00
66.76
MOL3
C


ATOM
9923
CB
GLN
G
166
4.072
−54.971
5.684
1.00
70.21
MOL3
C


ATOM
9924
CG
GLN
G
166
4.544
−56.407
5.851
1.00
69.53
MOL3
C


ATOM
9925
CD
GLN
G
166
5.937
−56.477
6.448
1.00
69.81
MOL3
C


ATOM
9926
OE1
GLN
G
166
6.139
−56.096
7.598
1.00
68.78
MOL3
O


ATOM
9927
NE2
GLN
G
166
6.903
−56.949
5.669
1.00
66.64
MOL3
N


ATOM
9928
C
GLN
G
166
2.234
−53.286
5.792
1.00
68.28
MOL3
C


ATOM
9929
O
GLN
G
166
2.546
−52.622
4.806
1.00
76.25
MOL3
O


ATOM
9930
N
ASP
G
167
1.588
−52.780
6.837
1.00
67.95
MOL3
N


ATOM
9931
CA
ASP
G
167
1.176
−51.380
6.925
1.00
72.67
MOL3
C


ATOM
9932
CB
ASP
G
167
0.516
−51.125
8.284
1.00
75.03
MOL3
C


ATOM
9933
CG
ASP
G
167
0.059
−49.683
8.463
1.00
79.58
MOL3
C


ATOM
9934
OD1
ASP
G
167
−0.983
−49.295
7.876
1.00
80.64
MOL3
O


ATOM
9935
OD2
ASP
G
167
0.747
−48.939
9.198
1.00
79.05
MOL3
O


ATOM
9936
C
ASP
G
167
2.353
−50.438
6.779
1.00
74.31
MOL3
C


ATOM
9937
O
ASP
G
167
3.114
−50.286
7.716
1.00
76.93
MOL3
O


ATOM
9938
N
SER
G
168
2.481
−49.800
5.616
1.00
79.70
MOL3
N


ATOM
9939
CA
SER
G
168
3.563
−48.851
5.322
1.00
82.79
MOL3
C


ATOM
9940
CB
SER
G
168
3.085
−47.838
4.290
1.00
86.90
MOL3
C


ATOM
9941
OG
SER
G
168
2.048
−47.042
4.840
1.00
93.16
MOL3
O


ATOM
9942
C
SER
G
168
4.104
−48.080
6.530
1.00
83.03
MOL3
C


ATOM
9943
O
SER
G
168
5.310
−47.868
6.651
1.00
86.44
MOL3
O


ATOM
9944
N
LYS
G
169
3.209
−47.646
7.409
1.00
81.18
MOL3
N


ATOM
9945
CA
LYS
G
169
3.594
−46.903
8.606
1.00
86.39
MOL3
C


ATOM
9946
CB
LYS
G
169
2.340
−46.462
9.375
1.00
92.95
MOL3
C


ATOM
9947
CG
LYS
G
169
1.747
−45.123
8.946
1.00
106.84
MOL3
C


ATOM
9948
CD
LYS
G
169
2.542
−43.944
9.520
1.00
112.36
MOL3
C


ATOM
9949
CE
LYS
G
169
2.008
−42.599
9.026
1.00
113.28
MOL3
C


ATOM
9950
NZ
LYS
G
169
2.110
−42.459
7.540
1.00
112.32
MOL3
N


ATOM
9951
C
LYS
G
169
4.492
−47.692
9.565
1.00
86.36
MOL3
C


ATOM
9952
O
LYS
G
169
5.699
−47.446
9.655
1.00
88.48
MOL3
O


ATOM
9953
N
ASP
G
170
3.888
−48.642
10.281
1.00
82.00
MOL3
N


ATOM
9954
CA
ASP
G
170
4.612
−49.451
11.264
1.00
70.61
MOL3
C


ATOM
9955
CB
ASP
G
170
3.832
−49.494
12.566
1.00
71.34
MOL3
C


ATOM
9956
CG
ASP
G
170
2.594
−50.323
12.450
1.00
74.59
MOL3
C


ATOM
9957
OD1
ASP
G
170
1.832
−50.374
13.439
1.00
79.81
MOL3
O


ATOM
9958
OD2
ASP
G
170
2.393
−50.924
11.365
1.00
65.94
MOL3
O


ATOM
9959
C
ASP
G
170
4.950
−50.886
10.860
1.00
62.81
MOL3
C


ATOM
9960
O
ASP
G
170
5.218
−51.724
11.707
1.00
56.54
MOL3
O


ATOM
9961
N
SER
G
171
4.929
−51.174
9.571
1.00
62.07
MOL3
N


ATOM
9962
CA
SER
G
171
5.273
−52.508
9.086
1.00
58.38
MOL3
C


ATOM
9963
CB
SER
G
171
6.782
−52.725
9.214
1.00
50.52
MOL3
C


ATOM
9964
OG
SER
G
171
7.489
−51.576
8.807
1.00
49.85
MOL3
O


ATOM
9965
C
SER
G
171
4.561
−53.681
9.774
1.00
57.67
MOL3
C


ATOM
9966
O
SER
G
171
5.067
−54.800
9.736
1.00
58.28
MOL3
O


ATOM
9967
N
THR
G
172
3.406
−53.446
10.397
1.00
54.13
MOL3
N


ATOM
9968
CA
THR
G
172
2.664
−54.527
11.063
1.00
53.93
MOL3
C


ATOM
9969
CB
THR
G
172
1.859
−54.026
12.256
1.00
58.95
MOL3
C


ATOM
9970
OG1
THR
G
172
0.843
−53.126
11.793
1.00
57.39
MOL3
O


ATOM
9971
CG2
THR
G
172
2.758
−53.332
13.257
1.00
69.20
MOL3
C


ATOM
9972
C
THR
G
172
1.639
−55.170
10.144
1.00
53.31
MOL3
C


ATOM
9973
O
THR
G
172
1.560
−54.837
8.973
1.00
66.87
MOL3
O


ATOM
9974
N
TYR
G
173
0.836
−56.080
10.685
1.00
48.31
MOL3
N


ATOM
9975
CA
TYR
G
173
−0.211
−56.742
9.911
1.00
47.98
MOL3
C


ATOM
9976
CB
TYR
G
173
0.036
−58.239
9.835
1.00
43.77
MOL3
C


ATOM
9977
CG
TYR
G
173
1.259
−58.612
9.060
1.00
44.45
MOL3
C


ATOM
9978
CD1
TYR
G
173
2.425
−58.940
9.697
1.00
48.66
MOL3
C


ATOM
9979
CE1
TYR
G
173
3.559
−59.283
8.982
1.00
61.26
MOL3
C


ATOM
9980
CD2
TYR
G
173
1.246
−58.630
7.681
1.00
52.61
MOL3
C


ATOM
9981
CE2
TYR
G
173
2.374
−58.967
6.948
1.00
59.87
MOL3
C


ATOM
9982
CZ
TYR
G
173
3.533
−59.295
7.605
1.00
62.30
MOL3
C


ATOM
9983
OH
TYR
G
173
4.672
−59.634
6.897
1.00
63.25
MOL3
O


ATOM
9984
C
TYR
G
173
−1.567
−56.517
10.557
1.00
50.67
MOL3
C


ATOM
9985
O
TYR
G
173
−1.649
−55.969
11.650
1.00
58.20
MOL3
O


ATOM
9986
N
SER
G
174
−2.628
−56.948
9.883
1.00
48.70
MOL3
N


ATOM
9987
CA
SER
G
174
−3.988
−56.805
10.400
1.00
50.67
MOL3
C


ATOM
9988
CB
SER
G
174
−4.544
−55.400
10.147
1.00
50.56
MOL3
C


ATOM
9989
OG
SER
G
174
−4.494
−54.599
11.311
1.00
52.36
MOL3
O


ATOM
9990
C
SER
G
174
−4.886
−57.806
9.710
1.00
51.11
MOL3
C


ATOM
9991
O
SER
G
174
−4.674
−58.138
8.550
1.00
52.00
MOL3
O


ATOM
9992
N
MET
G
175
−5.898
−58.280
10.423
1.00
53.77
MOL3
N


ATOM
9993
CA
MET
G
175
−6.830
−59.247
9.864
1.00
51.80
MOL3
C


ATOM
9994
CB
MET
G
175
−6.387
−60.659
10.206
1.00
55.64
MOL3
C


ATOM
9995
CG
MET
G
175
−7.512
−61.550
10.678
1.00
61.16
MOL3
C


ATOM
9996
SD
MET
G
175
−6.922
−63.203
11.089
1.00
65.42
MOL3
S


ATOM
9997
CE
MET
G
175
−8.312
−64.181
10.519
1.00
62.23
MOL3
C


ATOM
9998
C
MET
G
175
−8.251
−59.038
10.348
1.00
53.07
MOL3
C


ATOM
9999
O
MET
G
175
−8.491
−58.573
11.470
1.00
51.37
MOL3
O


ATOM
10000
N
SER
G
176
−9.193
−59.406
9.492
1.00
52.08
MOL3
N


ATOM
10001
CA
SER
G
176
−10.600
−59.251
9.805
1.00
56.47
MOL3
C


ATOM
10002
CB
SER
G
176
−11.217
−58.188
8.907
1.00
52.46
MOL3
C


ATOM
10003
OG
SER
G
176
−12.607
−58.410
8.761
1.00
55.22
MOL3
O


ATOM
10004
C
SER
G
176
−11.398
−60.530
9.647
1.00
62.89
MOL3
C


ATOM
10005
O
SER
G
176
−11.744
−60.919
8.525
1.00
63.70
MOL3
O


ATOM
10006
N
SER
G
177
−11.711
−61.173
10.771
1.00
67.40
MOL3
N


ATOM
10007
CA
SER
G
177
−12.504
−62.403
10.746
1.00
65.51
MOL3
C


ATOM
10008
CB
SER
G
177
−12.038
−63.372
11.830
1.00
67.97
MOL3
C


ATOM
10009
OG
SER
G
177
−12.620
−64.648
11.628
1.00
69.26
MOL3
O


ATOM
10010
C
SER
G
177
−13.980
−62.078
10.953
1.00
62.13
MOL3
C


ATOM
10011
O
SER
G
177
−14.354
−61.357
11.877
1.00
57.16
MOL3
O


ATOM
10012
N
THR
G
178
−14.814
−62.633
10.088
1.00
64.74
MOL3
N


ATOM
10013
CA
THR
G
178
−16.249
−62.391
10.129
1.00
71.96
MOL3
C


ATOM
10014
CB
THR
G
178
−16.683
−61.613
8.857
1.00
75.70
MOL3
C


ATOM
10015
OG1
THR
G
178
−16.030
−60.336
8.829
1.00
76.12
MOL3
O


ATOM
10016
CG2
THR
G
178
−18.195
−61.443
8.811
1.00
73.86
MOL3
C


ATOM
10017
C
THR
G
178
−17.072
−63.683
10.213
1.00
72.48
MOL3
C


ATOM
10018
O
THR
G
178
−17.084
−64.490
9.281
1.00
73.46
MOL3
O


ATOM
10019
N
LEU
G
179
−17.765
−63.877
11.327
1.00
72.44
MOL3
N


ATOM
10020
CA
LEU
G
179
−18.606
−65.056
11.494
1.00
73.90
MOL3
C


ATOM
10021
CB
LEU
G
179
−18.697
−65.433
12.974
1.00
68.50
MOL3
C


ATOM
10022
CG
LEU
G
179
−19.314
−66.790
13.310
1.00
58.82
MOL3
C


ATOM
10023
CD1
LEU
G
179
−19.602
−66.819
14.790
1.00
47.08
MOL3
C


ATOM
10024
CD2
LEU
G
179
−20.581
−67.025
12.506
1.00
45.68
MOL3
C


ATOM
10025
C
LEU
G
179
−20.002
−64.718
10.968
1.00
76.98
MOL3
C


ATOM
10026
O
LEU
G
179
−20.728
−63.922
11.567
1.00
76.00
MOL3
O


ATOM
10027
N
THR
G
180
−20.380
−65.319
9.849
1.00
80.86
MOL3
N


ATOM
10028
CA
THR
G
180
−21.694
−65.052
9.286
1.00
86.01
MOL3
C


ATOM
10029
CB
THR
G
180
−21.614
−64.782
7.772
1.00
90.77
MOL3
C


ATOM
10030
OG1
THR
G
180
−20.824
−63.605
7.537
1.00
95.99
MOL3
O


ATOM
10031
CG2
THR
G
180
−23.006
−64.576
7.199
1.00
89.94
MOL3
C


ATOM
10032
C
THR
G
180
−22.652
−66.205
9.554
1.00
88.98
MOL3
C


ATOM
10033
O
THR
G
180
−22.431
−67.346
9.140
1.00
90.30
MOL3
O


ATOM
10034
N
LEU
G
181
−23.722
−65.874
10.266
1.00
93.59
MOL3
N


ATOM
10035
CA
LEU
G
181
−24.768
−66.813
10.663
1.00
96.51
MOL3
C


ATOM
10036
CB
LEU
G
181
−24.936
−66.802
12.181
1.00
91.11
MOL3
C


ATOM
10037
CG
LEU
G
181
−23.812
−67.221
13.108
1.00
90.42
MOL3
C


ATOM
10038
CD1
LEU
G
181
−24.134
−66.766
14.525
1.00
86.50
MOL3
C


ATOM
10039
CD2
LEU
G
181
−23.645
−68.735
13.029
1.00
96.53
MOL3
C


ATOM
10040
C
LEU
G
181
−26.103
−66.368
10.095
1.00
100.13
MOL3
C


ATOM
10041
O
LEU
G
181
−26.216
−65.306
9.477
1.00
98.69
MOL3
O


ATOM
10042
N
THR
G
182
−27.125
−67.181
10.340
1.00
105.38
MOL3
N


ATOM
10043
CA
THR
G
182
−28.477
−66.844
9.914
1.00
107.74
MOL3
C


ATOM
10044
CB
THR
G
182
−29.257
−68.074
9.395
1.00
110.79
MOL3
C


ATOM
10045
OG1
THR
G
182
−30.540
−67.644
8.915
1.00
109.92
MOL3
O


ATOM
10046
CG2
THR
G
182
−29.438
−69.123
10.507
1.00
108.26
MOL3
C


ATOM
10047
C
THR
G
182
−29.171
−66.309
11.163
1.00
107.32
MOL3
C


ATOM
10048
O
THR
G
182
−28.976
−66.841
12.259
1.00
109.13
MOL3
O


ATOM
10049
N
LYS
G
183
−29.967
−65.258
11.001
1.00
104.23
MOL3
N


ATOM
10050
CA
LYS
G
183
−30.668
−64.653
12.129
1.00
104.07
MOL3
C


ATOM
10051
CB
LYS
G
183
−31.821
−63.787
11.612
1.00
102.44
MOL3
C


ATOM
10052
CG
LYS
G
183
−32.242
−62.680
12.572
1.00
105.36
MOL3
C


ATOM
10053
CD
LYS
G
183
−33.511
−61.955
12.110
1.00
109.07
MOL3
C


ATOM
10054
CE
LYS
G
183
−34.050
−61.024
13.207
1.00
110.44
MOL3
C


ATOM
10055
NZ
LYS
G
183
−35.418
−60.484
12.935
1.00
107.50
MOL3
N


ATOM
10056
C
LYS
G
183
−31.194
−65.718
13.102
1.00
105.08
MOL3
C


ATOM
10057
O
LYS
G
183
−31.237
−65.505
14.319
1.00
102.43
MOL3
O


ATOM
10058
N
ASP
G
184
−31.580
−66.870
12.559
1.00
105.91
MOL3
N


ATOM
10059
CA
ASP
G
184
−32.094
−67.967
13.373
1.00
107.91
MOL3
C


ATOM
10060
CB
ASP
G
184
−32.557
−69.140
12.498
1.00
117.94
MOL3
C


ATOM
10061
CG
ASP
G
184
−33.616
−68.747
11.486
1.00
126.79
MOL3
C


ATOM
10062
OD1
ASP
G
184
−34.290
−67.708
11.690
1.00
127.71
MOL3
O


ATOM
10063
OD2
ASP
G
184
−33.777
−69.497
10.491
1.00
128.78
MOL3
O


ATOM
10064
C
ASP
G
184
−31.043
−68.494
14.341
1.00
104.94
MOL3
C


ATOM
10065
O
ASP
G
184
−31.191
−68.358
15.558
1.00
104.52
MOL3
O


ATOM
10066
N
GLU
G
185
−29.991
−69.102
13.789
1.00
101.31
MOL3
N


ATOM
10067
CA
GLU
G
185
−28.907
−69.688
14.584
1.00
98.96
MOL3
C


ATOM
10068
CB
GLU
G
185
−27.840
−70.296
13.650
1.00
108.09
MOL3
C


ATOM
10069
CG
GLU
G
185
−26.705
−71.111
14.332
1.00
117.38
MOL3
C


ATOM
10070
CD
GLU
G
185
−27.117
−72.518
14.798
1.00
123.07
MOL3
C


ATOM
10071
OE1
GLU
G
185
−26.212
−73.311
15.148
1.00
124.88
MOL3
O


ATOM
10072
OE2
GLU
G
185
−28.328
−72.835
14.823
1.00
125.11
MOL3
O


ATOM
10073
C
GLU
G
185
−28.282
−68.661
15.536
1.00
93.54
MOL3
C


ATOM
10074
O
GLU
G
185
−27.782
−69.011
16.610
1.00
89.75
MOL3
O


ATOM
10075
N
TYR
G
186
−28.325
−67.394
15.141
1.00
88.78
MOL3
N


ATOM
10076
CA
TYR
G
186
−27.785
−66.304
15.944
1.00
86.97
MOL3
C


ATOM
10077
CB
TYR
G
186
−27.950
−64.989
15.161
1.00
82.46
MOL3
C


ATOM
10078
CG
TYR
G
186
−27.565
−63.729
15.910
1.00
77.50
MOL3
C


ATOM
10079
CD1
TYR
G
186
−28.173
−62.518
15.618
1.00
73.38
MOL3
C


ATOM
10080
CE1
TYR
G
186
−27.861
−61.371
16.324
1.00
70.40
MOL3
C


ATOM
10081
CD2
TYR
G
186
−26.623
−63.754
16.925
1.00
75.60
MOL3
C


ATOM
10082
CE2
TYR
G
186
−26.306
−62.613
17.634
1.00
73.45
MOL3
C


ATOM
10083
CZ
TYR
G
186
−26.930
−61.427
17.334
1.00
73.00
MOL3
C


ATOM
10084
OH
TYR
G
186
−26.645
−60.304
18.078
1.00
75.84
MOL3
O


ATOM
10085
C
TYR
G
186
−28.556
−66.233
17.262
1.00
88.23
MOL3
C


ATOM
10086
O
TYR
G
186
−27.981
−66.039
18.333
1.00
88.50
MOL3
O


ATOM
10087
N
GLU
G
187
−29.868
−66.402
17.157
1.00
91.02
MOL3
N


ATOM
10088
CA
GLU
G
187
−30.778
−66.351
18.297
1.00
94.93
MOL3
C


ATOM
10089
CB
GLU
G
187
−32.207
−66.253
17.766
1.00
102.44
MOL3
C


ATOM
10090
CG
GLU
G
187
−32.416
−65.167
16.721
1.00
105.29
MOL3
C


ATOM
10091
CD
GLU
G
187
−32.148
−63.778
17.267
1.00
110.80
MOL3
C


ATOM
10092
OE1
GLU
G
187
−32.541
−62.790
16.608
1.00
112.95
MOL3
O


ATOM
10093
OE2
GLU
G
187
−31.541
−63.671
18.355
1.00
110.62
MOL3
O


ATOM
10094
C
GLU
G
187
−30.676
−67.550
19.252
1.00
94.53
MOL3
C


ATOM
10095
O
GLU
G
187
−30.734
−67.401
20.477
1.00
88.00
MOL3
O


ATOM
10096
N
ARG
G
188
−30.537
−68.736
18.668
1.00
96.61
MOL3
N


ATOM
10097
CA
ARG
G
188
−30.443
−69.985
19.415
1.00
101.16
MOL3
C


ATOM
10098
CB
ARG
G
188
−30.269
−71.148
18.419
1.00
104.44
MOL3
C


ATOM
10099
CG
ARG
G
188
−31.359
−71.174
17.348
1.00
110.74
MOL3
C


ATOM
10100
CD
ARG
G
188
−30.994
−72.003
16.116
1.00
120.65
MOL3
C


ATOM
10101
NE
ARG
G
188
−31.985
−71.825
15.047
1.00
132.41
MOL3
N


ATOM
10102
CZ
ARG
G
188
−31.869
−72.307
13.808
1.00
138.16
MOL3
C


ATOM
10103
NH1
ARG
G
188
−30.797
−73.009
13.458
1.00
140.93
MOL3
N


ATOM
10104
NH2
ARG
G
188
−32.829
−72.085
12.913
1.00
137.85
MOL3
N


ATOM
10105
C
ARG
G
188
−29.336
−70.007
20.486
1.00
103.12
MOL3
C


ATOM
10106
O
ARG
G
188
−29.368
−70.847
21.394
1.00
107.79
MOL3
O


ATOM
10107
N
HIS
G
189
−28.369
−69.094
20.403
1.00
99.75
MOL3
N


ATOM
10108
CA
HIS
G
189
−27.293
−69.071
21.393
1.00
98.72
MOL3
C


ATOM
10109
CB
HIS
G
189
−26.008
−69.609
20.773
1.00
106.66
MOL3
C


ATOM
10110
CG
HIS
G
189
−26.170
−70.941
20.109
1.00
115.83
MOL3
C


ATOM
10111
CD2
HIS
G
189
−25.758
−72.179
20.475
1.00
120.97
MOL3
C


ATOM
10112
ND1
HIS
G
189
−26.831
−71.099
18.909
1.00
119.62
MOL3
N


ATOM
10113
CE1
HIS
G
189
−26.818
−72.375
18.564
1.00
122.11
MOL3
C


ATOM
10114
NE2
HIS
G
189
−26.173
−73.051
19.497
1.00
124.75
MOL3
N


ATOM
10115
C
HIS
G
189
−27.065
−67.677
21.966
1.00
97.69
MOL3
C


ATOM
10116
O
HIS
G
189
−27.562
−66.694
21.418
1.00
96.04
MOL3
O


ATOM
10117
N
ASN
G
190
−26.317
−67.581
23.064
1.00
97.69
MOL3
N


ATOM
10118
CA
ASN
G
190
−26.090
−66.271
23.673
1.00
101.88
MOL3
C


ATOM
10119
CB
ASN
G
190
−26.754
−66.199
25.066
1.00
111.52
MOL3
C


ATOM
10120
CG
ASN
G
190
−26.257
−67.279
26.033
1.00
118.94
MOL3
C


ATOM
10121
OD1
ASN
G
190
−25.113
−67.242
26.503
1.00
121.56
MOL3
O


ATOM
10122
ND2
ASN
G
190
−27.129
−68.240
26.342
1.00
118.18
MOL3
N


ATOM
10123
C
ASN
G
190
−24.658
−65.739
23.755
1.00
101.17
MOL3
C


ATOM
10124
O
ASN
G
190
−24.443
−64.544
23.542
1.00
98.80
MOL3
O


ATOM
10125
N
SER
G
191
−23.682
−66.600
24.051
1.00
101.74
MOL3
N


ATOM
10126
CA
SER
G
191
−22.289
−66.148
24.155
1.00
99.25
MOL3
C


ATOM
10127
CB
SER
G
191
−21.549
−66.894
25.280
1.00
103.81
MOL3
C


ATOM
10128
OG
SER
G
191
−21.036
−68.143
24.845
1.00
107.17
MOL3
O


ATOM
10129
C
SER
G
191
−21.504
−66.288
22.849
1.00
95.81
MOL3
C


ATOM
10130
O
SER
G
191
−21.521
−67.340
22.197
1.00
92.47
MOL3
O


ATOM
10131
N
TYR
G
192
−20.810
−65.207
22.495
1.00
93.09
MOL3
N


ATOM
10132
CA
TYR
G
192
−20.004
−65.120
21.277
1.00
87.50
MOL3
C


ATOM
10133
CB
TYR
G
192
−20.645
−64.109
20.328
1.00
85.26
MOL3
C


ATOM
10134
CG
TYR
G
192
−21.857
−64.646
19.624
1.00
84.55
MOL3
C


ATOM
10135
CD1
TYR
G
192
−23.026
−63.913
19.552
1.00
83.90
MOL3
C


ATOM
10136
CE1
TYR
G
192
−24.122
−64.393
18.861
1.00
83.21
MOL3
C


ATOM
10137
CD2
TYR
G
192
−21.816
−65.877
18.991
1.00
86.20
MOL3
C


ATOM
10138
CE2
TYR
G
192
−22.903
−66.362
18.297
1.00
85.84
MOL3
C


ATOM
10139
CZ
TYR
G
192
−24.055
−65.618
18.229
1.00
84.00
MOL3
C


ATOM
10140
OH
TYR
G
192
−25.121
−66.094
17.493
1.00
77.64
MOL3
O


ATOM
10141
C
TYR
G
192
−18.575
−64.676
21.568
1.00
82.36
MOL3
C


ATOM
10142
O
TYR
G
192
−18.354
−63.550
22.011
1.00
74.42
MOL3
O


ATOM
10143
N
THR
G
193
−17.604
−65.547
21.319
1.00
81.47
MOL3
N


ATOM
10144
CA
THR
G
193
−16.225
−65.165
21.564
1.00
82.88
MOL3
C


ATOM
10145
CB
THR
G
193
−15.598
−65.942
22.746
1.00
84.76
MOL3
C


ATOM
10146
OG1
THR
G
193
−15.403
−67.308
22.367
1.00
92.41
MOL3
O


ATOM
10147
CG2
THR
G
193
−16.501
−65.899
23.964
1.00
86.43
MOL3
C


ATOM
10148
C
THR
G
193
−15.337
−65.351
20.335
1.00
83.61
MOL3
C


ATOM
10149
O
THR
G
193
−15.567
−66.204
19.463
1.00
76.78
MOL3
O


ATOM
10150
N
CYS
G
194
−14.309
−64.518
20.298
1.00
86.39
MOL3
N


ATOM
10151
CA
CYS
G
194
−13.326
−64.489
19.236
1.00
84.64
MOL3
C


ATOM
10152
C
CYS
G
194
−11.977
−64.646
19.959
1.00
83.31
MOL3
C


ATOM
10153
O
CYS
G
194
−11.527
−63.745
20.670
1.00
79.54
MOL3
O


ATOM
10154
CB
CYS
G
194
−13.474
−63.143
18.519
1.00
82.79
MOL3
C


ATOM
10155
SG
CYS
G
194
−12.135
−62.657
17.402
1.00
90.85
MOL3
S


ATOM
10156
N
GLU
G
195
−11.357
−65.812
19.793
1.00
83.79
MOL3
N


ATOM
10157
CA
GLU
G
195
−10.098
−66.126
20.461
1.00
85.48
MOL3
C


ATOM
10158
CB
GLU
G
195
−10.225
−67.519
21.088
1.00
96.62
MOL3
C


ATOM
10159
CG
GLU
G
195
−9.171
−67.893
22.116
1.00
106.95
MOL3
C


ATOM
10160
CD
GLU
G
195
−9.346
−69.322
22.613
1.00
112.29
MOL3
C


ATOM
10161
OE1
GLU
G
195
−9.191
−70.258
21.796
1.00
111.34
MOL3
O


ATOM
10162
OE2
GLU
G
195
−9.646
−69.508
23.816
1.00
117.09
MOL3
O


ATOM
10163
C
GLU
G
195
−8.906
−66.075
19.503
1.00
82.05
MOL3
C


ATOM
10164
O
GLU
G
195
−8.790
−66.886
18.579
1.00
76.55
MOL3
O


ATOM
10165
N
ALA
G
196
−8.013
−65.124
19.743
1.00
79.13
MOL3
N


ATOM
10166
CA
ALA
G
196
−6.848
−64.961
18.894
1.00
76.76
MOL3
C


ATOM
10167
CB
ALA
G
196
−6.714
−63.504
18.491
1.00
82.89
MOL3
C


ATOM
10168
C
ALA
G
196
−5.567
−65.437
19.558
1.00
74.35
MOL3
C


ATOM
10169
O
ALA
G
196
−5.144
−64.892
20.584
1.00
72.00
MOL3
O


ATOM
10170
N
THR
G
197
−4.948
−66.451
18.965
1.00
70.32
MOL3
N


ATOM
10171
CA
THR
G
197
−3.704
−66.970
19.498
1.00
71.07
MOL3
C


ATOM
10172
CB
THR
G
197
−3.787
−68.487
19.597
1.00
77.77
MOL3
C


ATOM
10173
OG1
THR
G
197
−2.517
−69.003
20.010
1.00
89.33
MOL3
O


ATOM
10174
CG2
THR
G
197
−4.228
−69.084
18.266
1.00
82.46
MOL3
C


ATOM
10175
C
THR
G
197
−2.499
−66.494
18.657
1.00
65.77
MOL3
C


ATOM
10176
O
THR
G
197
−2.459
−66.648
17.432
1.00
61.20
MOL3
O


ATOM
10177
N
HIS
G
198
−1.517
−65.910
19.341
1.00
63.27
MOL3
N


ATOM
10178
CA
HIS
G
198
−0.356
−65.341
18.679
1.00
61.38
MOL3
C


ATOM
10179
CB
HIS
G
198
−0.638
−63.860
18.447
1.00
60.91
MOL3
C


ATOM
10180
CG
HIS
G
198
0.358
−63.187
17.567
1.00
69.52
MOL3
C


ATOM
10181
CD2
HIS
G
198
1.128
−62.092
17.767
1.00
69.32
MOL3
C


ATOM
10182
ND1
HIS
G
198
0.648
−63.636
16.296
1.00
71.63
MOL3
N


ATOM
10183
CE1
HIS
G
198
1.556
−62.846
15.751
1.00
77.19
MOL3
C


ATOM
10184
NE2
HIS
G
198
1.864
−61.901
16.623
1.00
76.10
MOL3
N


ATOM
10185
C
HIS
G
198
0.986
−65.508
19.409
1.00
58.64
MOL3
C


ATOM
10186
O
HIS
G
198
1.064
−65.443
20.627
1.00
55.62
MOL3
O


ATOM
10187
N
LYS
G
199
2.041
−65.712
18.630
1.00
61.35
MOL3
N


ATOM
10188
CA
LYS
G
199
3.400
−65.882
19.136
1.00
60.15
MOL3
C


ATOM
10189
CB
LYS
G
199
4.402
−65.647
17.992
1.00
62.47
MOL3
C


ATOM
10190
CG
LYS
G
199
5.857
−65.529
18.439
1.00
65.67
MOL3
C


ATOM
10191
CD
LYS
G
199
6.779
−65.126
17.299
1.00
64.96
MOL3
C


ATOM
10192
CE
LYS
G
199
6.775
−66.158
16.187
1.00
69.07
MOL3
C


ATOM
10193
NZ
LYS
G
199
7.322
−67.468
16.637
1.00
72.23
MOL3
N


ATOM
10194
C
LYS
G
199
3.757
−64.969
20.312
1.00
59.42
MOL3
C


ATOM
10195
O
LYS
G
199
4.593
−65.326
21.144
1.00
60.57
MOL3
O


ATOM
10196
N
THR
G
200
3.129
−63.798
20.374
1.00
57.91
MOL3
N


ATOM
10197
CA
THR
G
200
3.394
−62.822
21.431
1.00
63.29
MOL3
C


ATOM
10198
CB
THR
G
200
2.626
−61.515
21.200
1.00
67.33
MOL3
C


ATOM
10199
OG1
THR
G
200
1.234
−61.807
20.997
1.00
73.03
MOL3
O


ATOM
10200
CG2
THR
G
200
3.189
−60.775
20.011
1.00
73.14
MOL3
C


ATOM
10201
C
THR
G
200
3.037
−63.276
22.839
1.00
68.06
MOL3
C


ATOM
10202
O
THR
G
200
3.555
−62.727
23.821
1.00
64.89
MOL3
O


ATOM
10203
N
SER
G
201
2.132
−64.250
22.941
1.00
73.50
MOL3
N


ATOM
10204
CA
SER
G
201
1.714
−64.753
24.247
1.00
74.67
MOL3
C


ATOM
10205
CB
SER
G
201
0.534
−63.945
24.789
1.00
82.63
MOL3
C


ATOM
10206
OG
SER
G
201
0.280
−64.276
26.147
1.00
89.89
MOL3
O


ATOM
10207
C
SER
G
201
1.344
−66.227
24.253
1.00
71.10
MOL3
C


ATOM
10208
O
SER
G
201
0.992
−66.807
23.227
1.00
69.80
MOL3
O


ATOM
10209
N
THR
G
202
1.434
−66.811
25.443
1.00
69.54
MOL3
N


ATOM
10210
CA
THR
G
202
1.135
−68.216
25.684
1.00
65.82
MOL3
C


ATOM
10211
CB
THR
G
202
1.889
−68.733
26.934
1.00
64.23
MOL3
C


ATOM
10212
OG1
THR
G
202
1.654
−67.841
28.034
1.00
63.14
MOL3
O


ATOM
10213
CG2
THR
G
202
3.383
−68.831
26.668
1.00
57.12
MOL3
C


ATOM
10214
C
THR
G
202
−0.352
−68.370
25.950
1.00
65.86
MOL3
C


ATOM
10215
O
THR
G
202
−0.910
−69.460
25.864
1.00
66.45
MOL3
O


ATOM
10216
N
SER
G
203
−0.988
−67.260
26.284
1.00
67.90
MOL3
N


ATOM
10217
CA
SER
G
203
−2.400
−67.276
26.589
1.00
74.26
MOL3
C


ATOM
10218
CB
SER
G
203
−2.615
−66.792
28.022
1.00
86.52
MOL3
C


ATOM
10219
OG
SER
G
203
−1.850
−67.582
28.928
1.00
98.19
MOL3
O


ATOM
10220
C
SER
G
203
−3.117
−66.390
25.602
1.00
73.09
MOL3
C


ATOM
10221
O
SER
G
203
−2.874
−65.180
25.550
1.00
75.09
MOL3
O


ATOM
10222
N
PRO
G
204
−4.018
−66.989
24.804
1.00
70.86
MOL3
N


ATOM
10223
CD
PRO
G
204
−4.427
−68.387
25.007
1.00
67.00
MOL3
C


ATOM
10224
CA
PRO
G
204
−4.842
−66.366
23.760
1.00
67.61
MOL3
C


ATOM
10225
CB
PRO
G
204
−5.745
−67.511
23.299
1.00
64.27
MOL3
C


ATOM
10226
CG
PRO
G
204
−5.844
−68.363
24.497
1.00
68.63
MOL3
C


ATOM
10227
C
PRO
G
204
−5.634
−65.139
24.186
1.00
65.42
MOL3
C


ATOM
10228
O
PRO
G
204
−6.176
−65.091
25.294
1.00
65.92
MOL3
O


ATOM
10229
N
ILE
G
205
−5.679
−64.142
23.301
1.00
63.63
MOL3
N


ATOM
10230
CA
ILE
G
205
−6.429
−62.921
23.571
1.00
61.97
MOL3
C


ATOM
10231
CB
ILE
G
205
−6.025
−61.735
22.666
1.00
58.63
MOL3
C


ATOM
10232
CG2
ILE
G
205
−6.863
−60.528
23.044
1.00
52.45
MOL3
C


ATOM
10233
CG1
ILE
G
205
−4.531
−61.395
22.814
1.00
61.60
MOL3
C


ATOM
10234
CD1
ILE
G
205
−4.220
−60.163
23.701
1.00
58.09
MOL3
C


ATOM
10235
C
ILE
G
205
−7.862
−63.266
23.235
1.00
64.06
MOL3
C


ATOM
10236
O
ILE
G
205
−8.161
−63.712
22.125
1.00
58.68
MOL3
O


ATOM
10237
N
VAL
G
206
−8.750
−63.068
24.198
1.00
71.48
MOL3
N


ATOM
10238
CA
VAL
G
206
−10.148
−63.387
23.985
1.00
78.37
MOL3
C


ATOM
10239
CB
VAL
G
206
−10.588
−64.517
24.915
1.00
81.01
MOL3
C


ATOM
10240
CG1
VAL
G
206
−12.056
−64.852
24.669
1.00
84.85
MOL3
C


ATOM
10241
CG2
VAL
G
206
−9.697
−65.731
24.690
1.00
86.24
MOL3
C


ATOM
10242
C
VAL
G
206
−11.068
−62.201
24.202
1.00
79.75
MOL3
C


ATOM
10243
O
VAL
G
206
−10.978
−61.504
25.218
1.00
82.00
MOL3
O


ATOM
10244
N
LYS
G
207
−11.944
−61.974
23.229
1.00
80.26
MOL3
N


ATOM
10245
CA
LYS
G
207
−12.915
−60.896
23.298
1.00
84.36
MOL3
C


ATOM
10246
CB
LYS
G
207
−12.578
−59.794
22.295
1.00
86.52
MOL3
C


ATOM
10247
CG
LYS
G
207
−11.353
−58.973
22.673
1.00
98.47
MOL3
C


ATOM
10248
CD
LYS
G
207
−11.526
−58.294
24.037
1.00
111.91
MOL3
C


ATOM
10249
CE
LYS
G
207
−10.304
−57.448
24.421
1.00
116.09
MOL3
C


ATOM
10250
NZ
LYS
G
207
−10.490
−56.698
25.704
1.00
120.25
MOL3
N


ATOM
10251
C
LYS
G
207
−14.268
−61.506
22.972
1.00
88.09
MOL3
C


ATOM
10252
O
LYS
G
207
−14.384
−62.316
22.048
1.00
87.63
MOL3
O


ATOM
10253
N
SER
G
208
−15.287
−61.130
23.739
1.00
91.76
MOL3
N


ATOM
10254
CA
SER
G
208
−16.626
−61.667
23.528
1.00
91.34
MOL3
C


ATOM
10255
CB
SER
G
208
−16.802
−62.950
24.336
1.00
93.27
MOL3
C


ATOM
10256
OG
SER
G
208
−16.601
−62.715
25.722
1.00
92.76
MOL3
O


ATOM
10257
C
SER
G
208
−17.720
−60.687
23.920
1.00
91.18
MOL3
C


ATOM
10258
O
SER
G
208
−17.450
−59.577
24.381
1.00
87.72
MOL3
O


ATOM
10259
N
PHE
G
209
−18.961
−61.119
23.732
1.00
92.63
MOL3
N


ATOM
10260
CA
PHE
G
209
−20.115
−60.304
24.073
1.00
97.21
MOL3
C


ATOM
10261
CB
PHE
G
209
−20.281
−59.167
23.057
1.00
95.06
MOL3
C


ATOM
10262
CG
PHE
G
209
−20.996
−59.572
21.793
1.00
93.57
MOL3
C


ATOM
10263
CD1
PHE
G
209
−22.350
−59.352
21.647
1.00
90.72
MOL3
C


ATOM
10264
CD2
PHE
G
209
−20.315
−60.185
20.758
1.00
95.77
MOL3
C


ATOM
10265
CE1
PHE
G
209
−23.009
−59.734
20.496
1.00
92.12
MOL3
C


ATOM
10266
CE2
PHE
G
209
−20.973
−60.569
19.604
1.00
92.90
MOL3
C


ATOM
10267
CZ
PHE
G
209
−22.321
−60.343
19.475
1.00
91.92
MOL3
C


ATOM
10268
C
PHE
G
209
−21.353
−61.195
24.088
1.00
103.82
MOL3
C


ATOM
10269
O
PHE
G
209
−21.449
−62.160
23.314
1.00
102.26
MOL3
O


ATOM
10270
N
ASN
G
210
−22.290
−60.873
24.978
1.00
110.23
MOL3
N


ATOM
10271
CA
ASN
G
210
−23.531
−61.633
25.117
1.00
117.84
MOL3
C


ATOM
10272
CB
ASN
G
210
−23.762
−61.980
26.594
1.00
123.10
MOL3
C


ATOM
10273
CG
ASN
G
210
−22.563
−62.675
27.228
1.00
129.22
MOL3
C


ATOM
10274
OD1
ASN
G
210
−22.209
−63.796
26.852
1.00
133.16
MOL3
O


ATOM
10275
ND2
ASN
G
210
−21.927
−62.007
28.190
1.00
129.15
MOL3
N


ATOM
10276
C
ASN
G
210
−24.693
−60.789
24.602
1.00
120.46
MOL3
C


ATOM
10277
O
ASN
G
210
−24.560
−59.571
24.462
1.00
119.58
MOL3
O


ATOM
10278
N
ARG
G
211
−25.829
−61.423
24.320
1.00
124.75
MOL3
N


ATOM
10279
CA
ARG
G
211
−26.979
−60.670
23.839
1.00
130.59
MOL3
C


ATOM
10280
CB
ARG
G
211
−27.890
−61.539
22.977
1.00
131.16
MOL3
C


ATOM
10281
CG
ARG
G
211
−27.566
−61.483
21.503
1.00
130.04
MOL3
C


ATOM
10282
CD
ARG
G
211
−27.004
−62.801
21.041
1.00
133.22
MOL3
C


ATOM
10283
NE
ARG
G
211
−27.930
−63.897
21.313
1.00
137.59
MOL3
N


ATOM
10284
CZ
ARG
G
211
−29.186
−63.941
20.877
1.00
138.83
MOL3
C


ATOM
10285
NH1
ARG
G
211
−29.673
−62.944
20.148
1.00
138.40
MOL3
N


ATOM
10286
NH2
ARG
G
211
−29.955
−64.985
21.163
1.00
137.56
MOL3
N


ATOM
10287
C
ARG
G
211
−27.795
−60.035
24.958
1.00
137.45
MOL3
C


ATOM
10288
O
ARG
G
211
−28.240
−60.705
25.901
1.00
135.00
MOL3
O


ATOM
10289
N
ASN
G
212
−27.967
−58.721
24.837
1.00
146.87
MOL3
N


ATOM
10290
CA
ASN
G
212
−28.733
−57.921
25.787
1.00
155.81
MOL3
C


ATOM
10291
CB
ASN
G
212
−27.832
−56.886
26.487
1.00
155.75
MOL3
C


ATOM
10292
CG
ASN
G
212
−26.473
−56.724
25.813
1.00
156.88
MOL3
C


ATOM
10293
OD1
ASN
G
212
−26.382
−56.437
24.615
1.00
158.35
MOL3
O


ATOM
10294
ND2
ASN
G
212
−25.408
−56.898
26.589
1.00
155.49
MOL3
N


ATOM
10295
C
ASN
G
212
−29.864
−57.214
25.031
1.00
161.50
MOL3
C


ATOM
10296
O
ASN
G
212
−30.919
−56.922
25.600
1.00
162.29
MOL3
O


ATOM
10297
N
GLU
G
213
−29.621
−56.951
23.745
1.00
167.90
MOL3
N


ATOM
10298
CA
GLU
G
213
−30.572
−56.302
22.833
1.00
173.47
MOL3
C


ATOM
10299
CB
GLU
G
213
−31.773
−57.228
22.588
1.00
173.00
MOL3
C


ATOM
10300
CG
GLU
G
213
−32.233
−57.300
21.128
1.00
170.59
MOL3
C


ATOM
10301
CD
GLU
G
213
−31.234
−58.015
20.224
1.00
169.54
MOL3
C


ATOM
10302
OE1
GLU
G
213
−31.531
−58.181
19.020
1.00
167.25
MOL3
O


ATOM
10303
OE2
GLU
G
213
−30.155
−58.412
20.714
1.00
169.23
MOL3
O


ATOM
10304
C
GLU
G
213
−31.069
−54.906
23.246
1.00
176.92
MOL3
C


ATOM
10305
O
GLU
G
213
−31.944
−54.770
24.108
1.00
177.92
MOL3
O


ATOM
10306
N
CYS
G
214
−30.508
−53.875
22.612
1.00
179.94
MOL3
N


ATOM
10307
CA
CYS
G
214
−30.882
−52.482
22.879
1.00
182.62
MOL3
C


ATOM
10308
CB
CYS
G
214
−30.427
−52.051
24.283
1.00
184.29
MOL3
C


ATOM
10309
SG
CYS
G
214
−31.491
−50.813
25.116
1.00
183.85
MOL3
S


ATOM
10310
C
CYS
G
214
−30.238
−51.559
21.840
1.00
183.45
MOL3
C


ATOM
10311
O
CYS
G
214
−29.526
−52.080
20.951
1.00
184.03
MOL3
O


ATOM
10312
OXT
CYS
G
214
−30.454
−50.329
21.926
1.00
183.24
MOL3
O


ATOM
10313
CB
GLU
H
1
12.319
−45.817
−24.866
1.00
80.69
MOL3
C


ATOM
10314
CG
GLU
H
1
12.972
−44.504
−24.427
1.00
96.38
MOL3
C


ATOM
10315
CD
GLU
H
1
14.460
−44.643
−24.132
1.00
103.23
MOL3
C


ATOM
10316
OE1
GLU
H
1
15.209
−45.116
−25.019
1.00
106.26
MOL3
O


ATOM
10317
OE2
GLU
H
1
14.875
−44.275
−23.007
1.00
104.29
MOL3
O


ATOM
10318
C
GLU
H
1
10.202
−47.001
−25.487
1.00
70.52
MOL3
C


ATOM
10319
O
GLU
H
1
10.107
−46.972
−26.716
1.00
78.90
MOL3
O


ATOM
10320
N
GLU
H
1
10.426
−45.808
−23.286
1.00
67.19
MOL3
N


ATOM
10321
CA
GLU
H
1
10.796
−45.818
−24.727
1.00
71.31
MOL3
C


ATOM
10322
N
VAL
H
2
9.781
−48.028
−24.758
1.00
63.85
MOL3
N


ATOM
10323
CA
VAL
H
2
9.219
−49.211
−25.381
1.00
56.70
MOL3
C


ATOM
10324
CB
VAL
H
2
10.013
−50.434
−25.007
1.00
49.62
MOL3
C


ATOM
10325
CG1
VAL
H
2
9.649
−51.582
−25.928
1.00
34.77
MOL3
C


ATOM
10326
CG2
VAL
H
2
11.493
−50.104
−25.018
1.00
51.72
MOL3
C


ATOM
10327
C
VAL
H
2
7.806
−49.477
−24.927
1.00
61.99
MOL3
C


ATOM
10328
O
VAL
H
2
7.545
−50.540
−24.386
1.00
73.31
MOL3
O


ATOM
10329
N
GLN
H
3
6.889
−48.543
−25.158
1.00
61.09
MOL3
N


ATOM
10330
CA
GLN
H
3
5.497
−48.718
−24.730
1.00
57.29
MOL3
C


ATOM
10331
CB
GLN
H
3
4.665
−47.496
−25.096
1.00
67.65
MOL3
C


ATOM
10332
CG
GLN
H
3
5.258
−46.184
−24.650
1.00
91.59
MOL3
C


ATOM
10333
CD
GLN
H
3
5.242
−45.147
−25.770
1.00
104.67
MOL3
C


ATOM
10334
OE1
GLN
H
3
4.181
−44.834
−26.333
1.00
109.12
MOL3
O


ATOM
10335
NE2
GLN
H
3
6.421
−44.612
−26.103
1.00
104.81
MOL3
N


ATOM
10336
C
GLN
H
3
4.758
−49.954
−25.240
1.00
47.41
MOL3
C


ATOM
10337
O
GLN
H
3
4.892
−50.377
−26.385
1.00
47.05
MOL3
O


ATOM
10338
N
LEU
H
4
3.950
−50.502
−24.353
1.00
41.92
MOL3
N


ATOM
10339
CA
LEU
H
4
3.135
−51.674
−24.608
1.00
43.25
MOL3
C


ATOM
10340
CB
LEU
H
4
3.844
−52.888
−24.022
1.00
40.95
MOL3
C


ATOM
10341
CG
LEU
H
4
3.979
−54.166
−24.842
1.00
45.87
MOL3
C


ATOM
10342
CD1
LEU
H
4
4.318
−53.862
−26.299
1.00
43.17
MOL3
C


ATOM
10343
CD2
LEU
H
4
5.065
−55.009
−24.198
1.00
42.82
MOL3
C


ATOM
10344
C
LEU
H
4
1.834
−51.381
−23.847
1.00
44.33
MOL3
C


ATOM
10345
O
LEU
H
4
1.867
−51.103
−22.635
1.00
45.49
MOL3
O


ATOM
10346
N
VAL
H
5
0.700
−51.414
−24.541
1.00
40.36
MOL3
N


ATOM
10347
CA
VAL
H
5
−0.565
−51.117
−23.886
1.00
43.21
MOL3
C


ATOM
10348
CB
VAL
H
5
−1.029
−49.715
−24.222
1.00
35.32
MOL3
C


ATOM
10349
CG1
VAL
H
5
−2.317
−49.418
−23.491
1.00
30.52
MOL3
C


ATOM
10350
CG2
VAL
H
5
0.037
−48.732
−23.841
1.00
28.24
MOL3
C


ATOM
10351
C
VAL
H
5
−1.695
−52.065
−24.235
1.00
49.10
MOL3
C


ATOM
10352
O
VAL
H
5
−2.084
−52.181
−25.396
1.00
51.42
MOL3
O


ATOM
10353
N
GLU
H
6
−2.232
−52.723
−23.212
1.00
53.46
MOL3
N


ATOM
10354
CA
GLU
H
6
−3.316
−53.678
−23.381
1.00
55.93
MOL3
C


ATOM
10355
CB
GLU
H
6
−3.160
−54.803
−22.358
1.00
53.21
MOL3
C


ATOM
10356
CG
GLU
H
6
−2.063
−54.533
−21.321
1.00
56.79
MOL3
C


ATOM
10357
CD
GLU
H
6
−0.982
−55.607
−21.310
1.00
64.46
MOL3
C


ATOM
10358
OE1
GLU
H
6
−0.073
−55.560
−20.452
1.00
62.83
MOL3
O


ATOM
10359
OE2
GLU
H
6
−1.041
−56.508
−22.169
1.00
72.08
MOL3
O


ATOM
10360
C
GLU
H
6
−4.662
−52.995
−23.211
1.00
57.62
MOL3
C


ATOM
10361
O
GLU
H
6
−4.752
−51.909
−22.632
1.00
57.43
MOL3
O


ATOM
10362
N
SER
H
7
−5.707
−53.633
−23.723
1.00
59.33
MOL3
N


ATOM
10363
CA
SER
H
7
−7.051
−53.084
−23.625
1.00
62.56
MOL3
C


ATOM
10364
CB
SER
H
7
−7.209
−51.891
−24.564
1.00
66.75
MOL3
C


ATOM
10365
OG
SER
H
7
−6.737
−52.205
−25.866
1.00
77.01
MOL3
O


ATOM
10366
C
SER
H
7
−8.072
−54.140
−23.967
1.00
62.44
MOL3
C


ATOM
10367
O
SER
H
7
−7.735
−55.183
−24.524
1.00
61.19
MOL3
O


ATOM
10368
N
GLY
H
8
−9.321
−53.865
−23.619
1.00
67.04
MOL3
N


ATOM
10369
CA
GLY
H
8
−10.386
−54.809
−23.895
1.00
76.02
MOL3
C


ATOM
10370
C
GLY
H
8
−10.749
−55.612
−22.665
1.00
81.10
MOL3
C


ATOM
10371
O
GLY
H
8
−11.307
−56.702
−22.754
1.00
79.02
MOL3
O


ATOM
10372
N
GLY
H
9
−10.429
−55.070
−21.499
1.00
88.12
MOL3
N


ATOM
10373
CA
GLY
H
9
−10.737
−55.776
−20.273
1.00
90.21
MOL3
C


ATOM
10374
C
GLY
H
9
−12.179
−55.589
−19.862
1.00
91.24
MOL3
C


ATOM
10375
O
GLY
H
9
−12.856
−54.671
−20.339
1.00
94.44
MOL3
O


ATOM
10376
N
GLY
H
10
−12.647
−56.465
−18.976
1.00
91.00
MOL3
N


ATOM
10377
CA
GLY
H
10
−14.016
−56.389
−18.485
1.00
88.13
MOL3
C


ATOM
10378
C
GLY
H
10
−14.495
−57.727
−17.962
1.00
82.14
MOL3
C


ATOM
10379
O
GLY
H
10
−13.719
−58.681
−17.906
1.00
79.67
MOL3
O


ATOM
10380
N
LEU
H
11
−15.759
−57.810
−17.562
1.00
77.90
MOL3
N


ATOM
10381
CA
LEU
H
11
−16.270
−59.082
−17.077
1.00
74.98
MOL3
C


ATOM
10382
CB
LEU
H
11
−17.031
−58.934
−15.764
1.00
71.57
MOL3
C


ATOM
10383
CG
LEU
H
11
−18.320
−58.134
−15.791
1.00
77.35
MOL3
C


ATOM
10384
CD1
LEU
H
11
−18.985
−58.225
−14.436
1.00
82.67
MOL3
C


ATOM
10385
CD2
LEU
H
11
−18.023
−56.693
−16.147
1.00
85.15
MOL3
C


ATOM
10386
C
LEU
H
11
−17.163
−59.671
−18.139
1.00
74.43
MOL3
C


ATOM
10387
O
LEU
H
11
−17.611
−58.973
−19.045
1.00
72.67
MOL3
O


ATOM
10388
N
VAL
H
12
−17.405
−60.968
−18.043
1.00
77.54
MOL3
N


ATOM
10389
CA
VAL
H
12
−18.235
−61.637
−19.026
1.00
84.43
MOL3
C


ATOM
10390
CB
VAL
H
12
−17.499
−61.779
−20.365
1.00
86.47
MOL3
C


ATOM
10391
CG1
VAL
H
12
−16.214
−62.564
−20.172
1.00
85.38
MOL3
C


ATOM
10392
CG2
VAL
H
12
−18.397
−62.472
−21.373
1.00
95.20
MOL3
C


ATOM
10393
C
VAL
H
12
−18.656
−63.020
−18.561
1.00
87.93
MOL3
C


ATOM
10394
O
VAL
H
12
−17.820
−63.846
−18.206
1.00
92.06
MOL3
O


ATOM
10395
N
GLN
H
13
−19.963
−63.264
−18.570
1.00
93.30
MOL3
N


ATOM
10396
CA
GLN
H
13
−20.525
−64.547
−18.144
1.00
93.98
MOL3
C


ATOM
10397
CB
GLN
H
13
−22.020
−64.630
−18.507
1.00
101.62
MOL3
C


ATOM
10398
CG
GLN
H
13
−22.372
−64.091
−19.903
1.00
114.56
MOL3
C


ATOM
10399
CD
GLN
H
13
−22.366
−62.559
−19.985
1.00
122.12
MOL3
C


ATOM
10400
OE1
GLN
H
13
−23.149
−61.885
−19.306
1.00
124.57
MOL3
O


ATOM
10401
NE2
GLN
H
13
−21.484
−62.009
−20.823
1.00
120.27
MOL3
N


ATOM
10402
C
GLN
H
13
−19.771
−65.715
−18.767
1.00
86.99
MOL3
C


ATOM
10403
O
GLN
H
13
−19.267
−65.613
−19.887
1.00
82.90
MOL3
O


ATOM
10404
N
PRO
H
14
−19.676
−66.839
−18.040
1.00
80.78
MOL3
N


ATOM
10405
CD
PRO
H
14
−20.285
−67.128
−16.734
1.00
79.55
MOL3
C


ATOM
10406
CA
PRO
H
14
−18.973
−68.015
−18.546
1.00
80.09
MOL3
C


ATOM
10407
CB
PRO
H
14
−19.374
−69.102
−17.563
1.00
75.48
MOL3
C


ATOM
10408
CG
PRO
H
14
−19.520
−68.359
−16.300
1.00
73.51
MOL3
C


ATOM
10409
C
PRO
H
14
−19.422
−68.318
−19.965
1.00
85.55
MOL3
C


ATOM
10410
O
PRO
H
14
−20.480
−67.866
−20.394
1.00
90.37
MOL3
O


ATOM
10411
N
GLY
H
15
−18.618
−69.080
−20.695
1.00
89.51
MOL3
N


ATOM
10412
CA
GLY
H
15
−18.963
−69.397
−22.068
1.00
91.81
MOL3
C


ATOM
10413
C
GLY
H
15
−18.782
−68.213
−23.009
1.00
94.38
MOL3
C


ATOM
10414
O
GLY
H
15
−18.402
−68.390
−24.168
1.00
96.38
MOL3
O


ATOM
10415
N
GLY
H
16
−19.052
−67.005
−22.515
1.00
95.37
MOL3
N


ATOM
10416
CA
GLY
H
16
−18.916
−65.807
−23.329
1.00
93.58
MOL3
C


ATOM
10417
C
GLY
H
16
−17.553
−65.651
−23.983
1.00
91.42
MOL3
C


ATOM
10418
O
GLY
H
16
−16.675
−66.494
−23.818
1.00
89.53
MOL3
O


ATOM
10419
N
SER
H
17
−17.368
−64.569
−24.729
1.00
90.50
MOL3
N


ATOM
10420
CA
SER
H
17
−16.096
−64.345
−25.399
1.00
88.77
MOL3
C


ATOM
10421
CB
SER
H
17
−16.183
−64.769
−26.872
1.00
93.79
MOL3
C


ATOM
10422
OG
SER
H
17
−16.939
−63.845
−27.646
1.00
101.08
MOL3
O


ATOM
10423
C
SER
H
17
−15.603
−62.904
−25.315
1.00
86.43
MOL3
C


ATOM
10424
O
SER
H
17
−16.389
−61.956
−25.176
1.00
85.00
MOL3
O


ATOM
10425
N
LEU
H
18
−14.284
−62.761
−25.408
1.00
80.10
MOL3
N


ATOM
10426
CA
LEU
H
18
−13.633
−61.465
−25.353
1.00
75.09
MOL3
C


ATOM
10427
CB
LEU
H
18
−13.170
−61.178
−23.933
1.00
68.07
MOL3
C


ATOM
10428
CG
LEU
H
18
−13.953
−60.096
−23.210
1.00
62.48
MOL3
C


ATOM
10429
CD1
LEU
H
18
−13.285
−59.884
−21.891
1.00
62.03
MOL3
C


ATOM
10430
CD2
LEU
H
18
−13.989
−58.799
−24.016
1.00
59.71
MOL3
C


ATOM
10431
C
LEU
H
18
−12.427
−61.428
−26.273
1.00
73.76
MOL3
C


ATOM
10432
O
LEU
H
18
−11.813
−62.463
−26.530
1.00
71.85
MOL3
O


ATOM
10433
N
ARG
H
19
−12.098
−60.234
−26.762
1.00
71.25
MOL3
N


ATOM
10434
CA
ARG
H
19
−10.945
−60.046
−27.633
1.00
70.80
MOL3
C


ATOM
10435
CB
ARG
H
19
−11.393
−59.676
−29.046
1.00
76.31
MOL3
C


ATOM
10436
CG
ARG
H
19
−10.262
−59.469
−30.054
1.00
81.86
MOL3
C


ATOM
10437
CD
ARG
H
19
−10.782
−59.612
−31.486
1.00
87.72
MOL3
C


ATOM
10438
NE
ARG
H
19
−9.862
−59.094
−32.497
1.00
89.33
MOL3
N


ATOM
10439
CZ
ARG
H
19
−9.536
−57.810
−32.623
1.00
94.54
MOL3
C


ATOM
10440
NH1
ARG
H
19
−10.051
−56.903
−31.800
1.00
93.84
MOL3
N


ATOM
10441
NH2
ARG
H
19
−8.706
−57.428
−33.584
1.00
97.79
MOL3
N


ATOM
10442
C
ARG
H
19
−10.071
−58.947
−27.051
1.00
69.54
MOL3
C


ATOM
10443
O
ARG
H
19
−10.500
−57.795
−26.937
1.00
70.47
MOL3
O


ATOM
10444
N
LEU
H
20
−8.847
−59.324
−26.682
1.00
63.89
MOL3
N


ATOM
10445
CA
LEU
H
20
−7.877
−58.417
−26.090
1.00
56.44
MOL3
C


ATOM
10446
CB
LEU
H
20
−7.129
−59.149
−24.985
1.00
53.18
MOL3
C


ATOM
10447
CG
LEU
H
20
−7.988
−59.770
−23.877
1.00
53.71
MOL3
C


ATOM
10448
CD1
LEU
H
20
−7.117
−60.610
−22.954
1.00
49.56
MOL3
C


ATOM
10449
CD2
LEU
H
20
−8.680
−58.672
−23.084
1.00
52.72
MOL3
C


ATOM
10450
C
LEU
H
20
−6.891
−57.895
−27.127
1.00
55.93
MOL3
C


ATOM
10451
O
LEU
H
20
−6.503
−58.621
−28.043
1.00
55.63
MOL3
O


ATOM
10452
N
SER
H
21
−6.486
−56.638
−26.971
1.00
53.32
MOL3
N


ATOM
10453
CA
SER
H
21
−5.549
−56.011
−27.892
1.00
55.06
MOL3
C


ATOM
10454
CB
SER
H
21
−6.246
−54.909
−28.674
1.00
58.91
MOL3
C


ATOM
10455
OG
SER
H
21
−7.620
−55.205
−28.830
1.00
74.44
MOL3
O


ATOM
10456
C
SER
H
21
−4.388
−55.399
−27.131
1.00
55.70
MOL3
C


ATOM
10457
O
SER
H
21
−4.523
−55.019
−25.971
1.00
57.26
MOL3
O


ATOM
10458
N
CYS
H
22
−3.248
−55.300
−27.802
1.00
56.67
MOL3
N


ATOM
10459
CA
CYS
H
22
−2.046
−54.727
−27.220
1.00
56.43
MOL3
C


ATOM
10460
C
CYS
H
22
−1.400
−53.853
−28.269
1.00
50.74
MOL3
C


ATOM
10461
O
CYS
H
22
−1.092
−54.322
−29.352
1.00
52.24
MOL3
O


ATOM
10462
CB
CYS
H
22
−1.077
−55.840
−26.817
1.00
63.13
MOL3
C


ATOM
10463
SG
CYS
H
22
0.529
−55.285
−26.142
1.00
72.78
MOL3
S


ATOM
10464
N
ALA
H
23
−1.210
−52.581
−27.961
1.00
48.24
MOL3
N


ATOM
10465
CA
ALA
H
23
−0.590
−51.687
−28.912
1.00
51.21
MOL3
C


ATOM
10466
CB
ALA
H
23
−1.292
−50.353
−28.892
1.00
57.28
MOL3
C


ATOM
10467
C
ALA
H
23
0.869
−51.532
−28.519
1.00
52.95
MOL3
C


ATOM
10468
O
ALA
H
23
1.175
−51.127
−27.402
1.00
56.88
MOL3
O


ATOM
10469
N
ALA
H
24
1.771
−51.865
−29.431
1.00
50.57
MOL3
N


ATOM
10470
CA
ALA
H
24
3.187
−51.762
−29.132
1.00
51.81
MOL3
C


ATOM
10471
CB
ALA
H
24
3.903
−53.016
−29.587
1.00
62.83
MOL3
C


ATOM
10472
C
ALA
H
24
3.811
−50.547
−29.783
1.00
49.99
MOL3
C


ATOM
10473
O
ALA
H
24
3.286
−50.016
−30.759
1.00
53.01
MOL3
O


ATOM
10474
N
SER
H
25
4.949
−50.123
−29.249
1.00
45.42
MOL3
N


ATOM
10475
CA
SER
H
25
5.651
−48.962
−29.775
1.00
48.13
MOL3
C


ATOM
10476
CB
SER
H
25
4.977
−47.677
−29.318
1.00
46.68
MOL3
C


ATOM
10477
OG
SER
H
25
5.893
−46.919
−28.544
1.00
47.00
MOL3
O


ATOM
10478
C
SER
H
25
7.057
−48.935
−29.230
1.00
47.04
MOL3
C


ATOM
10479
O
SER
H
25
7.347
−49.595
−28.252
1.00
52.69
MOL3
O


ATOM
10480
N
GLY
H
26
7.919
−48.140
−29.842
1.00
49.40
MOL3
N


ATOM
10481
CA
GLY
H
26
9.279
−48.038
−29.359
1.00
47.23
MOL3
C


ATOM
10482
C
GLY
H
26
10.185
−49.149
−29.838
1.00
46.49
MOL3
C


ATOM
10483
O
GLY
H
26
11.295
−49.289
−29.328
1.00
46.28
MOL3
O


ATOM
10484
N
PHE
H
27
9.727
−49.944
−30.802
1.00
43.77
MOL3
N


ATOM
10485
CA
PHE
H
27
10.566
−51.014
−31.318
1.00
51.46
MOL3
C


ATOM
10486
CB
PHE
H
27
10.827
−52.049
−30.222
1.00
48.70
MOL3
C


ATOM
10487
CG
PHE
H
27
9.601
−52.772
−29.752
1.00
49.82
MOL3
C


ATOM
10488
CD1
PHE
H
27
9.280
−54.017
−30.247
1.00
48.99
MOL3
C


ATOM
10489
CD2
PHE
H
27
8.782
−52.216
−28.793
1.00
57.82
MOL3
C


ATOM
10490
CE1
PHE
H
27
8.168
−54.692
−29.790
1.00
47.68
MOL3
C


ATOM
10491
CE2
PHE
H
27
7.667
−52.888
−28.334
1.00
55.96
MOL3
C


ATOM
10492
CZ
PHE
H
27
7.363
−54.127
−28.836
1.00
51.20
MOL3
C


ATOM
10493
C
PHE
H
27
10.027
−51.696
−32.566
1.00
56.33
MOL3
C


ATOM
10494
O
PHE
H
27
8.831
−51.653
−32.848
1.00
57.40
MOL3
O


ATOM
10495
N
THR
H
28
10.921
−52.318
−33.326
1.00
59.29
MOL3
N


ATOM
10496
CA
THR
H
28
10.506
−53.000
−34.536
1.00
59.20
MOL3
C


ATOM
10497
CB
THR
H
28
11.727
−53.364
−35.386
1.00
62.43
MOL3
C


ATOM
10498
OG1
THR
H
28
12.903
−53.377
−34.559
1.00
75.00
MOL3
O


ATOM
10499
CG2
THR
H
28
11.912
−52.336
−36.478
1.00
62.63
MOL3
C


ATOM
10500
C
THR
H
28
9.666
−54.231
−34.202
1.00
53.56
MOL3
C


ATOM
10501
O
THR
H
28
10.155
−55.353
−34.154
1.00
51.45
MOL3
O


ATOM
10502
N
PHE
H
29
8.389
−53.973
−33.954
1.00
50.42
MOL3
N


ATOM
10503
CA
PHE
H
29
7.392
−54.982
−33.621
1.00
52.34
MOL3
C


ATOM
10504
CB
PHE
H
29
6.010
−54.327
−33.673
1.00
49.86
MOL3
C


ATOM
10505
CG
PHE
H
29
4.895
−55.191
−33.169
1.00
46.09
MOL3
C


ATOM
10506
CD1
PHE
H
29
4.605
−55.248
−31.817
1.00
41.19
MOL3
C


ATOM
10507
CD2
PHE
H
29
4.123
−55.937
−34.054
1.00
47.78
MOL3
C


ATOM
10508
CE1
PHE
H
29
3.565
−56.032
−31.352
1.00
45.08
MOL3
C


ATOM
10509
CE2
PHE
H
29
3.079
−56.725
−33.597
1.00
44.39
MOL3
C


ATOM
10510
CZ
PHE
H
29
2.801
−56.770
−32.241
1.00
47.36
MOL3
C


ATOM
10511
C
PHE
H
29
7.413
−56.189
−34.565
1.00
57.28
MOL3
C


ATOM
10512
O
PHE
H
29
7.488
−57.338
−34.119
1.00
58.37
MOL3
O


ATOM
10513
N
SER
H
30
7.335
−55.921
−35.867
1.00
58.55
MOL3
N


ATOM
10514
CA
SER
H
30
7.323
−56.967
−36.882
1.00
58.10
MOL3
C


ATOM
10515
CB
SER
H
30
7.137
−56.339
−38.262
1.00
60.76
MOL3
C


ATOM
10516
OG
SER
H
30
6.942
−54.932
−38.165
1.00
73.31
MOL3
O


ATOM
10517
C
SER
H
30
8.578
−57.832
−36.872
1.00
60.85
MOL3
C


ATOM
10518
O
SER
H
30
8.715
−58.739
−37.697
1.00
59.99
MOL3
O


ATOM
10519
N
ASP
H
31
9.484
−57.557
−35.932
1.00
64.35
MOL3
N


ATOM
10520
CA
ASP
H
31
10.736
−58.305
−35.805
1.00
64.12
MOL3
C


ATOM
10521
CB
ASP
H
31
11.916
−57.376
−35.534
1.00
66.03
MOL3
C


ATOM
10522
CG
ASP
H
31
12.343
−56.599
−36.745
1.00
76.69
MOL3
C


ATOM
10523
OD1
ASP
H
31
13.473
−56.066
−36.714
1.00
82.61
MOL3
O


ATOM
10524
OD2
ASP
H
31
11.562
−56.510
−37.719
1.00
83.16
MOL3
O


ATOM
10525
C
ASP
H
31
10.754
−59.337
−34.699
1.00
61.93
MOL3
C


ATOM
10526
O
ASP
H
31
11.432
−60.345
−34.820
1.00
70.22
MOL3
O


ATOM
10527
N
TYR
H
32
10.025
−59.084
−33.620
1.00
58.60
MOL3
N


ATOM
10528
CA
TYR
H
32
10.033
−59.983
−32.474
1.00
57.91
MOL3
C


ATOM
10529
CB
TYR
H
32
10.303
−59.176
−31.209
1.00
58.87
MOL3
C


ATOM
10530
CG
TYR
H
32
11.612
−58.433
−31.201
1.00
56.33
MOL3
C


ATOM
10531
CD1
TYR
H
32
11.845
−57.382
−32.060
1.00
58.83
MOL3
C


ATOM
10532
CE1
TYR
H
32
13.049
−56.727
−32.049
1.00
71.93
MOL3
C


ATOM
10533
CD2
TYR
H
32
12.616
−58.801
−30.334
1.00
59.34
MOL3
C


ATOM
10534
CE2
TYR
H
32
13.810
−58.163
−30.313
1.00
66.80
MOL3
C


ATOM
10535
CZ
TYR
H
32
14.035
−57.130
−31.166
1.00
74.47
MOL3
C


ATOM
10536
OH
TYR
H
32
15.270
−56.521
−31.141
1.00
84.60
MOL3
O


ATOM
10537
C
TYR
H
32
8.774
−60.790
−32.245
1.00
55.77
MOL3
C


ATOM
10538
O
TYR
H
32
7.702
−60.418
−32.703
1.00
58.85
MOL3
O


ATOM
10539
N
ASN
H
33
8.906
−61.889
−31.514
1.00
52.56
MOL3
N


ATOM
10540
CA
ASN
H
33
7.741
−62.695
−31.206
1.00
56.62
MOL3
C


ATOM
10541
CB
ASN
H
33
8.143
−64.085
−30.714
1.00
61.20
MOL3
C


ATOM
10542
CG
ASN
H
33
9.292
−64.670
−31.492
1.00
66.30
MOL3
C


ATOM
10543
OD1
ASN
H
33
9.240
−64.795
−32.724
1.00
68.76
MOL3
O


ATOM
10544
ND2
ASN
H
33
10.346
−65.043
−30.773
1.00
70.28
MOL3
N


ATOM
10545
C
ASN
H
33
7.027
−61.952
−30.081
1.00
56.59
MOL3
C


ATOM
10546
O
ASN
H
33
7.626
−61.124
−29.403
1.00
59.09
MOL3
O


ATOM
10547
N
MET
H
34
5.753
−62.249
−29.881
1.00
53.23
MOL3
N


ATOM
10548
CA
MET
H
34
4.987
−61.606
−28.834
1.00
48.63
MOL3
C


ATOM
10549
CB
MET
H
34
3.983
−60.650
−29.467
1.00
43.44
MOL3
C


ATOM
10550
CG
MET
H
34
4.614
−59.421
−30.057
1.00
40.62
MOL3
C


ATOM
10551
SD
MET
H
34
5.626
−58.584
−28.818
1.00
51.97
MOL3
S


ATOM
10552
CE
MET
H
34
4.381
−57.816
−27.805
1.00
46.46
MOL3
C


ATOM
10553
C
MET
H
34
4.267
−62.676
−28.020
1.00
51.21
MOL3
C


ATOM
10554
O
MET
H
34
4.102
−63.797
−28.488
1.00
53.62
MOL3
O


ATOM
10555
N
ALA
H
35
3.841
−62.346
−26.806
1.00
51.15
MOL3
N


ATOM
10556
CA
ALA
H
35
3.145
−63.323
−25.982
1.00
47.47
MOL3
C


ATOM
10557
CB
ALA
H
35
4.152
−64.228
−25.287
1.00
41.63
MOL3
C


ATOM
10558
C
ALA
H
35
2.226
−62.704
−24.944
1.00
47.83
MOL3
C


ATOM
10559
O
ALA
H
35
2.284
−61.508
−24.654
1.00
49.61
MOL3
O


ATOM
10560
N
TRP
H
36
1.361
−63.545
−24.395
1.00
47.61
MOL3
N


ATOM
10561
CA
TRP
H
36
0.443
−63.127
−23.356
1.00
45.28
MOL3
C


ATOM
10562
CB
TRP
H
36
−1.001
−63.401
−23.743
1.00
38.09
MOL3
C


ATOM
10563
CG
TRP
H
36
−1.506
−62.574
−24.843
1.00
35.79
MOL3
C


ATOM
10564
CD2
TRP
H
36
−2.105
−61.286
−24.731
1.00
39.24
MOL3
C


ATOM
10565
CE2
TRP
H
36
−2.485
−60.884
−26.030
1.00
43.04
MOL3
C


ATOM
10566
CE3
TRP
H
36
−2.361
−60.431
−23.661
1.00
34.67
MOL3
C


ATOM
10567
CD1
TRP
H
36
−1.537
−62.897
−26.166
1.00
44.70
MOL3
C


ATOM
10568
NE1
TRP
H
36
−2.131
−61.889
−26.892
1.00
43.27
MOL3
N


ATOM
10569
CZ2
TRP
H
36
−3.104
−59.666
−26.283
1.00
33.90
MOL3
C


ATOM
10570
CZ3
TRP
H
36
−2.975
−59.228
−23.917
1.00
38.12
MOL3
C


ATOM
10571
CH2
TRP
H
36
−3.340
−58.854
−25.217
1.00
30.70
MOL3
C


ATOM
10572
C
TRP
H
36
0.780
−63.956
−22.137
1.00
45.18
MOL3
C


ATOM
10573
O
TRP
H
36
1.065
−65.147
−22.241
1.00
48.92
MOL3
O


ATOM
10574
N
VAL
H
37
0.758
−63.321
−20.983
1.00
39.79
MOL3
N


ATOM
10575
CA
VAL
H
37
1.052
−64.005
−19.747
1.00
40.84
MOL3
C


ATOM
10576
CB
VAL
H
37
2.428
−63.617
−19.209
1.00
37.48
MOL3
C


ATOM
10577
CG1
VAL
H
37
2.698
−64.337
−17.922
1.00
31.38
MOL3
C


ATOM
10578
CG2
VAL
H
37
3.479
−63.954
−20.221
1.00
31.44
MOL3
C


ATOM
10579
C
VAL
H
37
−0.014
−63.499
−18.814
1.00
49.24
MOL3
C


ATOM
10580
O
VAL
H
37
−0.270
−62.293
−18.745
1.00
54.99
MOL3
O


ATOM
10581
N
ARG
H
38
−0.643
−64.415
−18.097
1.00
49.75
MOL3
N


ATOM
10582
CA
ARG
H
38
−1.713
−64.038
−17.196
1.00
52.55
MOL3
C


ATOM
10583
CB
ARG
H
38
−2.929
−64.875
−17.509
1.00
56.84
MOL3
C


ATOM
10584
CG
ARG
H
38
−2.602
−66.341
−17.420
1.00
62.25
MOL3
C


ATOM
10585
CD
ARG
H
38
−3.791
−67.152
−16.954
1.00
69.06
MOL3
C


ATOM
10586
NE
ARG
H
38
−4.874
−67.146
−17.923
1.00
61.89
MOL3
N


ATOM
10587
CZ
ARG
H
38
−5.525
−68.241
−18.271
1.00
64.52
MOL3
C


ATOM
10588
NH1
ARG
H
38
−5.191
−69.404
−17.722
1.00
62.42
MOL3
N


ATOM
10589
NH2
ARG
H
38
−6.493
−68.177
−19.168
1.00
67.54
MOL3
N


ATOM
10590
C
ARG
H
38
−1.335
−64.261
−15.750
1.00
51.86
MOL3
C


ATOM
10591
O
ARG
H
38
−0.419
−65.013
−15.450
1.00
48.15
MOL3
O


ATOM
10592
N
GLN
H
39
−2.070
−63.621
−14.851
1.00
55.25
MOL3
N


ATOM
10593
CA
GLN
H
39
−1.810
−63.759
−13.429
1.00
54.03
MOL3
C


ATOM
10594
CB
GLN
H
39
−0.761
−62.737
−13.012
1.00
52.59
MOL3
C


ATOM
10595
CG
GLN
H
39
−0.508
−62.653
−11.540
1.00
49.71
MOL3
C


ATOM
10596
CD
GLN
H
39
0.474
−61.563
−11.214
1.00
49.39
MOL3
C


ATOM
10597
OE1
GLN
H
39
0.339
−60.433
−11.681
1.00
48.74
MOL3
O


ATOM
10598
NE2
GLN
H
39
1.467
−61.888
−10.405
1.00
45.99
MOL3
N


ATOM
10599
C
GLN
H
39
−3.106
−63.582
−12.637
1.00
57.67
MOL3
C


ATOM
10600
O
GLN
H
39
−3.627
−62.470
−12.479
1.00
61.21
MOL3
O


ATOM
10601
N
ALA
H
40
−3.626
−64.706
−12.156
1.00
55.62
MOL3
N


ATOM
10602
CA
ALA
H
40
−4.855
−64.734
−11.385
1.00
55.64
MOL3
C


ATOM
10603
CB
ALA
H
40
−5.244
−66.144
−11.145
1.00
53.44
MOL3
C


ATOM
10604
C
ALA
H
40
−4.697
−64.011
−10.060
1.00
63.02
MOL3
C


ATOM
10605
O
ALA
H
40
−3.658
−64.095
−9.421
1.00
70.41
MOL3
O


ATOM
10606
N
PRO
H
41
−5.745
−63.313
−9.612
1.00
67.97
MOL3
N


ATOM
10607
CD
PRO
H
41
−7.127
−63.480
−10.088
1.00
68.50
MOL3
C


ATOM
10608
CA
PRO
H
41
−5.713
−62.567
−8.349
1.00
71.98
MOL3
C


ATOM
10609
CB
PRO
H
41
−7.189
−62.398
−8.019
1.00
74.44
MOL3
C


ATOM
10610
CG
PRO
H
41
−7.839
−62.379
−9.373
1.00
70.53
MOL3
C


ATOM
10611
C
PRO
H
41
−4.972
−63.321
−7.252
1.00
74.99
MOL3
C


ATOM
10612
O
PRO
H
41
−5.248
−64.488
−6.987
1.00
76.25
MOL3
O


ATOM
10613
N
GLY
H
42
−4.021
−62.653
−6.620
1.00
78.76
MOL3
N


ATOM
10614
CA
GLY
H
42
−3.267
−63.297
−5.563
1.00
82.26
MOL3
C


ATOM
10615
C
GLY
H
42
−2.257
−64.326
−6.044
1.00
81.56
MOL3
C


ATOM
10616
O
GLY
H
42
−1.160
−64.421
−5.488
1.00
85.89
MOL3
O


ATOM
10617
N
LYS
H
43
−2.599
−65.090
−7.075
1.00
74.50
MOL3
N


ATOM
10618
CA
LYS
H
43
−1.675
−66.100
−7.555
1.00
74.34
MOL3
C


ATOM
10619
CB
LYS
H
43
−2.447
−67.170
−8.314
1.00
81.90
MOL3
C


ATOM
10620
CG
LYS
H
43
−3.471
−67.877
−7.436
1.00
93.04
MOL3
C


ATOM
10621
CD
LYS
H
43
−3.947
−69.194
−8.050
1.00
104.70
MOL3
C


ATOM
10622
CE
LYS
H
43
−2.781
−70.168
−8.263
1.00
110.69
MOL3
C


ATOM
10623
NZ
LYS
H
43
−3.221
−71.520
−8.733
1.00
110.14
MOL3
N


ATOM
10624
C
LYS
H
43
−0.457
−65.617
−8.368
1.00
73.13
MOL3
C


ATOM
10625
O
LYS
H
43
−0.224
−64.414
−8.533
1.00
71.85
MOL3
O


ATOM
10626
N
GLY
H
44
0.326
−66.578
−8.853
1.00
69.00
MOL3
N


ATOM
10627
CA
GLY
H
44
1.528
−66.272
−9.606
1.00
62.52
MOL3
C


ATOM
10628
C
GLY
H
44
1.356
−65.945
−11.075
1.00
64.11
MOL3
C


ATOM
10629
O
GLY
H
44
0.316
−65.431
−11.504
1.00
68.38
MOL3
O


ATOM
10630
N
LEU
H
45
2.383
−66.257
−11.858
1.00
58.47
MOL3
N


ATOM
10631
CA
LEU
H
45
2.376
−65.958
−13.285
1.00
54.84
MOL3
C


ATOM
10632
CB
LEU
H
45
3.660
−65.206
−13.657
1.00
51.82
MOL3
C


ATOM
10633
CG
LEU
H
45
3.926
−63.899
−12.905
1.00
48.64
MOL3
C


ATOM
10634
CD1
LEU
H
45
5.399
−63.508
−12.993
1.00
43.07
MOL3
C


ATOM
10635
CD2
LEU
H
45
3.016
−62.828
−13.473
1.00
42.51
MOL3
C


ATOM
10636
C
LEU
H
45
2.258
−67.213
−14.132
1.00
54.17
MOL3
C


ATOM
10637
O
LEU
H
45
2.986
−68.183
−13.944
1.00
50.26
MOL3
O


ATOM
10638
N
GLU
H
46
1.339
−67.180
−15.084
1.00
58.43
MOL3
N


ATOM
10639
CA
GLU
H
46
1.123
−68.311
−15.965
1.00
60.38
MOL3
C


ATOM
10640
CB
GLU
H
46
−0.250
−68.919
−15.686
1.00
71.49
MOL3
C


ATOM
10641
CG
GLU
H
46
−0.426
−70.361
−16.110
1.00
83.80
MOL3
C


ATOM
10642
CD
GLU
H
46
−1.757
−70.929
−15.654
1.00
91.71
MOL3
C


ATOM
10643
OE1
GLU
H
46
−2.779
−70.679
−16.336
1.00
91.50
MOL3
O


ATOM
10644
OE2
GLU
H
46
−1.775
−71.611
−14.602
1.00
92.19
MOL3
O


ATOM
10645
C
GLU
H
46
1.200
−67.805
−17.395
1.00
60.49
MOL3
C


ATOM
10646
O
GLU
H
46
0.626
−66.760
−17.740
1.00
61.39
MOL3
O


ATOM
10647
N
TRP
H
47
1.926
−68.537
−18.227
1.00
57.40
MOL3
N


ATOM
10648
CA
TRP
H
47
2.071
−68.147
−19.617
1.00
57.25
MOL3
C


ATOM
10649
CB
TRP
H
47
3.319
−68.772
−20.211
1.00
51.55
MOL3
C


ATOM
10650
CG
TRP
H
47
3.294
−68.709
−21.680
1.00
58.49
MOL3
C


ATOM
10651
CD2
TRP
H
47
3.195
−69.816
−22.571
1.00
65.35
MOL3
C


ATOM
10652
CE2
TRP
H
47
3.104
−69.298
−23.875
1.00
68.55
MOL3
C


ATOM
10653
CE3
TRP
H
47
3.171
−71.200
−22.394
1.00
68.81
MOL3
C


ATOM
10654
CD1
TRP
H
47
3.268
−67.586
−22.455
1.00
62.40
MOL3
C


ATOM
10655
NE1
TRP
H
47
3.152
−67.930
−23.782
1.00
67.20
MOL3
N


ATOM
10656
CZ2
TRP
H
47
2.987
−70.117
−24.991
1.00
70.75
MOL3
C


ATOM
10657
CZ3
TRP
H
47
3.057
−72.007
−23.503
1.00
70.26
MOL3
C


ATOM
10658
CH2
TRP
H
47
2.965
−71.466
−24.783
1.00
69.71
MOL3
C


ATOM
10659
C
TRP
H
47
0.870
−68.584
−20.432
1.00
56.11
MOL3
C


ATOM
10660
O
TRP
H
47
0.484
−69.739
−20.377
1.00
62.69
MOL3
O


ATOM
10661
N
VAL
H
48
0.272
−67.673
−21.188
1.00
55.01
MOL3
N


ATOM
10662
CA
VAL
H
48
−0.879
−68.039
−22.005
1.00
53.56
MOL3
C


ATOM
10663
CB
VAL
H
48
−1.857
−66.856
−22.151
1.00
51.33
MOL3
C


ATOM
10664
CG1
VAL
H
48
−2.811
−67.067
−23.312
1.00
44.69
MOL3
C


ATOM
10665
CG2
VAL
H
48
−2.653
−66.732
−20.880
1.00
56.05
MOL3
C


ATOM
10666
C
VAL
H
48
−0.444
−68.539
−23.376
1.00
54.95
MOL3
C


ATOM
10667
O
VAL
H
48
−0.430
−69.739
−23.625
1.00
53.09
MOL3
O


ATOM
10668
N
ALA
H
49
−0.068
−67.631
−24.265
1.00
58.16
MOL3
N


ATOM
10669
CA
ALA
H
49
0.362
−68.046
−25.590
1.00
62.56
MOL3
C


ATOM
10670
CB
ALA
H
49
−0.830
−68.144
−26.509
1.00
61.76
MOL3
C


ATOM
10671
C
ALA
H
49
1.374
−67.081
−26.176
1.00
66.37
MOL3
C


ATOM
10672
O
ALA
H
49
1.571
−65.980
−25.660
1.00
69.42
MOL3
O


ATOM
10673
N
THR
H
50
2.025
−67.514
−27.249
1.00
65.01
MOL3
N


ATOM
10674
CA
THR
H
50
2.987
−66.675
−27.948
1.00
65.55
MOL3
C


ATOM
10675
CB
THR
H
50
4.472
−66.949
−27.505
1.00
66.68
MOL3
C


ATOM
10676
OG1
THR
H
50
5.249
−67.338
−28.641
1.00
71.68
MOL3
O


ATOM
10677
CG2
THR
H
50
4.559
−68.028
−26.459
1.00
56.41
MOL3
C


ATOM
10678
C
THR
H
50
2.843
−66.898
−29.457
1.00
62.54
MOL3
C


ATOM
10679
O
THR
H
50
2.513
−67.993
−29.897
1.00
66.24
MOL3
O


ATOM
10680
N
ILE
H
51
3.061
−65.848
−30.239
1.00
57.78
MOL3
N


ATOM
10681
CA
ILE
H
51
2.970
−65.925
−31.688
1.00
58.59
MOL3
C


ATOM
10682
CB
ILE
H
51
1.789
−65.127
−32.221
1.00
61.74
MOL3
C


ATOM
10683
CG2
ILE
H
51
1.719
−63.778
−31.532
1.00
65.58
MOL3
C


ATOM
10684
CG1
ILE
H
51
1.924
−64.965
−33.736
1.00
63.13
MOL3
C


ATOM
10685
CD1
ILE
H
51
0.898
−64.033
−34.342
1.00
60.29
MOL3
C


ATOM
10686
C
ILE
H
51
4.247
−65.335
−32.244
1.00
61.40
MOL3
C


ATOM
10687
O
ILE
H
51
4.776
−64.383
−31.686
1.00
63.89
MOL3
O


ATOM
10688
N
THR
H
52
4.743
−65.884
−33.347
1.00
65.83
MOL3
N


ATOM
10689
CA
THR
H
52
6.002
−65.409
−33.917
1.00
69.29
MOL3
C


ATOM
10690
CB
THR
H
52
6.639
−66.493
−34.770
1.00
68.24
MOL3
C


ATOM
10691
OG1
THR
H
52
5.882
−66.647
−35.975
1.00
78.52
MOL3
O


ATOM
10692
CG2
THR
H
52
6.650
−67.819
−34.006
1.00
60.36
MOL3
C


ATOM
10693
C
THR
H
52
5.919
−64.120
−34.725
1.00
71.78
MOL3
C


ATOM
10694
O
THR
H
52
4.839
−63.665
−35.092
1.00
71.56
MOL3
O


ATOM
10695
N
TYR
H
53
7.078
−63.538
−35.004
1.00
76.82
MOL3
N


ATOM
10696
CA
TYR
H
53
7.134
−62.279
−35.728
1.00
83.93
MOL3
C


ATOM
10697
CB
TYR
H
53
8.586
−61.813
−35.844
1.00
81.83
MOL3
C


ATOM
10698
CG
TYR
H
53
9.427
−62.665
−36.751
1.00
82.92
MOL3
C


ATOM
10699
CD1
TYR
H
53
9.616
−62.317
−38.080
1.00
81.60
MOL3
C


ATOM
10700
CE1
TYR
H
53
10.367
−63.106
−38.924
1.00
85.19
MOL3
C


ATOM
10701
CD2
TYR
H
53
10.013
−63.831
−36.287
1.00
86.43
MOL3
C


ATOM
10702
CE2
TYR
H
53
10.767
−64.630
−37.126
1.00
89.89
MOL3
C


ATOM
10703
CZ
TYR
H
53
10.942
−64.263
−38.445
1.00
87.12
MOL3
C


ATOM
10704
OH
TYR
H
53
11.703
−65.053
−39.280
1.00
88.25
MOL3
O


ATOM
10705
C
TYR
H
53
6.476
−62.296
−37.105
1.00
89.59
MOL3
C


ATOM
10706
O
TYR
H
53
5.673
−61.411
−37.414
1.00
90.27
MOL3
O


ATOM
10707
N
GLU
H
54
6.807
−63.291
−37.930
1.00
95.40
MOL3
N


ATOM
10708
CA
GLU
H
54
6.237
−63.378
−39.276
1.00
97.31
MOL3
C


ATOM
10709
CB
GLU
H
54
6.765
−64.602
−40.025
1.00
98.84
MOL3
C


ATOM
10710
CG
GLU
H
54
5.928
−65.850
−39.812
1.00
108.31
MOL3
C


ATOM
10711
CD
GLU
H
54
6.561
−66.823
−38.845
1.00
112.31
MOL3
C


ATOM
10712
OE1
GLU
H
54
5.872
−67.781
−38.434
1.00
111.19
MOL3
O


ATOM
10713
OE2
GLU
H
54
7.751
−66.635
−38.506
1.00
114.93
MOL3
O


ATOM
10714
C
GLU
H
54
4.722
−63.464
−39.168
1.00
97.26
MOL3
C


ATOM
10715
O
GLU
H
54
3.994
−63.033
−40.061
1.00
94.50
MOL3
O


ATOM
10716
N
GLY
H
55
4.256
−64.024
−38.059
1.00
96.91
MOL3
N


ATOM
10717
CA
GLY
H
55
2.832
−64.135
−37.846
1.00
99.34
MOL3
C


ATOM
10718
C
GLY
H
55
2.269
−65.493
−38.188
1.00
102.51
MOL3
C


ATOM
10719
O
GLY
H
55
1.053
−65.678
−38.161
1.00
104.24
MOL3
O


ATOM
10720
N
ARG
H
56
3.130
−66.452
−38.510
1.00
105.17
MOL3
N


ATOM
10721
CA
ARG
H
56
2.632
−67.782
−38.849
1.00
110.29
MOL3
C


ATOM
10722
CB
ARG
H
56
2.876
−68.087
−40.341
1.00
117.75
MOL3
C


ATOM
10723
CG
ARG
H
56
1.864
−69.075
−40.980
1.00
124.33
MOL3
C


ATOM
10724
CD
ARG
H
56
0.399
−68.588
−40.858
1.00
128.22
MOL3
C


ATOM
10725
NE
ARG
H
56
−0.565
−69.460
−41.539
1.00
127.99
MOL3
N


ATOM
10726
CZ
ARG
H
56
−1.888
−69.376
−41.404
1.00
127.35
MOL3
C


ATOM
10727
NH1
ARG
H
56
−2.421
−68.456
−40.608
1.00
124.80
MOL3
N


ATOM
10728
NH2
ARG
H
56
−2.682
−70.212
−42.067
1.00
122.83
MOL3
N


ATOM
10729
C
ARG
H
56
3.244
−68.873
−37.971
1.00
107.22
MOL3
C


ATOM
10730
O
ARG
H
56
4.154
−69.588
−38.386
1.00
107.49
MOL3
O


ATOM
10731
N
ASN
H
57
2.722
−68.984
−36.753
1.00
104.15
MOL3
N


ATOM
10732
CA
ASN
H
57
3.172
−69.969
−35.776
1.00
101.40
MOL3
C


ATOM
10733
CB
ASN
H
57
4.701
−70.090
−35.799
1.00
104.71
MOL3
C


ATOM
10734
CG
ASN
H
57
5.173
−71.513
−36.054
1.00
106.01
MOL3
C


ATOM
10735
OD1
ASN
H
57
4.768
−72.146
−37.029
1.00
104.49
MOL3
O


ATOM
10736
ND2
ASN
H
57
6.038
−72.020
−35.178
1.00
104.68
MOL3
N


ATOM
10737
C
ASN
H
57
2.714
−69.536
−34.386
1.00
95.59
MOL3
C


ATOM
10738
O
ASN
H
57
3.310
−68.656
−33.777
1.00
92.89
MOL3
O


ATOM
10739
N
THR
H
58
1.649
−70.156
−33.898
1.00
89.66
MOL3
N


ATOM
10740
CA
THR
H
58
1.117
−69.833
−32.590
1.00
87.41
MOL3
C


ATOM
10741
CB
THR
H
58
−0.370
−69.535
−32.690
1.00
88.89
MOL3
C


ATOM
10742
OG1
THR
H
58
−1.049
−70.677
−33.219
1.00
93.56
MOL3
O


ATOM
10743
CG2
THR
H
58
−0.603
−68.357
−33.616
1.00
89.97
MOL3
C


ATOM
10744
C
THR
H
58
1.364
−71.033
−31.697
1.00
86.81
MOL3
C


ATOM
10745
O
THR
H
58
1.544
−72.135
−32.205
1.00
87.41
MOL3
O


ATOM
10746
N
TYR
H
59
1.375
−70.837
−30.377
1.00
87.09
MOL3
N


ATOM
10747
CA
TYR
H
59
1.656
−71.949
−29.477
1.00
87.89
MOL3
C


ATOM
10748
CB
TYR
H
59
3.011
−71.724
−28.815
1.00
86.52
MOL3
C


ATOM
10749
CG
TYR
H
59
4.159
−71.914
−29.785
1.00
92.68
MOL3
C


ATOM
10750
CD1
TYR
H
59
4.409
−70.987
−30.789
1.00
93.63
MOL3
C


ATOM
10751
CE1
TYR
H
59
5.423
−71.186
−31.715
1.00
97.03
MOL3
C


ATOM
10752
CD2
TYR
H
59
4.962
−73.050
−29.730
1.00
95.37
MOL3
C


ATOM
10753
CE2
TYR
H
59
5.980
−73.258
−30.651
1.00
96.17
MOL3
C


ATOM
10754
CZ
TYR
H
59
6.205
−72.324
−31.643
1.00
98.10
MOL3
C


ATOM
10755
OH
TYR
H
59
7.201
−72.536
−32.575
1.00
100.34
MOL3
O


ATOM
10756
C
TYR
H
59
0.620
−72.348
−28.434
1.00
88.98
MOL3
C


ATOM
10757
O
TYR
H
59
0.255
−73.522
−28.352
1.00
97.11
MOL3
O


ATOM
10758
N
TYR
H
60
0.159
−71.411
−27.619
1.00
84.78
MOL3
N


ATOM
10759
CA
TYR
H
60
−0.870
−71.736
−26.621
1.00
83.82
MOL3
C


ATOM
10760
CB
TYR
H
60
−2.136
−72.260
−27.327
1.00
72.84
MOL3
C


ATOM
10761
CG
TYR
H
60
−2.630
−71.361
−28.436
1.00
65.27
MOL3
C


ATOM
10762
CD1
TYR
H
60
−2.171
−71.509
−29.735
1.00
61.04
MOL3
C


ATOM
10763
CE1
TYR
H
60
−2.547
−70.630
−30.726
1.00
61.15
MOL3
C


ATOM
10764
CD2
TYR
H
60
−3.490
−70.307
−28.164
1.00
64.94
MOL3
C


ATOM
10765
CE2
TYR
H
60
−3.870
−69.418
−29.149
1.00
63.80
MOL3
C


ATOM
10766
CZ
TYR
H
60
−3.392
−69.582
−30.427
1.00
65.02
MOL3
C


ATOM
10767
OH
TYR
H
60
−3.741
−68.673
−31.397
1.00
65.42
MOL3
O


ATOM
10768
C
TYR
H
60
−0.499
−72.730
−25.513
1.00
83.92
MOL3
C


ATOM
10769
O
TYR
H
60
0.293
−73.649
−25.708
1.00
83.62
MOL3
O


ATOM
10770
N
ARG
H
61
−1.107
−72.546
−24.348
1.00
87.10
MOL3
N


ATOM
10771
CA
ARG
H
61
−0.863
−73.432
−23.227
1.00
90.67
MOL3
C


ATOM
10772
CB
ARG
H
61
−0.879
−72.648
−21.910
1.00
89.04
MOL3
C


ATOM
10773
CG
ARG
H
61
−1.978
−73.017
−20.925
1.00
88.73
MOL3
C


ATOM
10774
CD
ARG
H
61
−1.397
−73.411
−19.565
1.00
91.73
MOL3
C


ATOM
10775
NE
ARG
H
61
−0.283
−72.553
−19.170
1.00
93.52
MOL3
N


ATOM
10776
CZ
ARG
H
61
0.477
−72.744
−18.093
1.00
96.29
MOL3
C


ATOM
10777
NH1
ARG
H
61
0.252
−73.767
−17.278
1.00
97.97
MOL3
N


ATOM
10778
NH2
ARG
H
61
1.486
−71.918
−17.844
1.00
100.59
MOL3
N


ATOM
10779
C
ARG
H
61
−1.919
−74.527
−23.227
1.00
97.16
MOL3
C


ATOM
10780
O
ARG
H
61
−3.079
−74.294
−23.582
1.00
102.79
MOL3
O


ATOM
10781
N
ASP
H
62
−1.502
−75.736
−22.867
1.00
100.75
MOL3
N


ATOM
10782
CA
ASP
H
62
−2.410
−76.881
−22.803
1.00
103.41
MOL3
C


ATOM
10783
CB
ASP
H
62
−1.659
−78.133
−22.330
1.00
108.69
MOL3
C


ATOM
10784
CG
ASP
H
62
−1.031
−78.913
−23.464
1.00
115.91
MOL3
C


ATOM
10785
OD1
ASP
H
62
−0.409
−79.959
−23.175
1.00
117.07
MOL3
O


ATOM
10786
OD2
ASP
H
62
−1.162
−78.488
−24.634
1.00
120.19
MOL3
O


ATOM
10787
C
ASP
H
62
−3.499
−76.590
−21.783
1.00
100.29
MOL3
C


ATOM
10788
O
ASP
H
62
−3.495
−77.191
−20.711
1.00
102.03
MOL3
O


ATOM
10789
N
SER
H
63
−4.423
−75.687
−22.095
1.00
93.82
MOL3
N


ATOM
10790
CA
SER
H
63
−5.476
−75.357
−21.147
1.00
90.28
MOL3
C


ATOM
10791
CB
SER
H
63
−4.859
−74.879
−19.835
1.00
87.21
MOL3
C


ATOM
10792
OG
SER
H
63
−5.861
−74.488
−18.921
1.00
92.41
MOL3
O


ATOM
10793
C
SER
H
63
−6.394
−74.284
−21.701
1.00
91.17
MOL3
C


ATOM
10794
O
SER
H
63
−7.370
−73.886
−21.059
1.00
91.75
MOL3
O


ATOM
10795
N
VAL
H
64
−6.069
−73.811
−22.896
1.00
91.49
MOL3
N


ATOM
10796
CA
VAL
H
64
−6.865
−72.787
−23.553
1.00
94.39
MOL3
C


ATOM
10797
CB
VAL
H
64
−6.385
−71.370
−23.201
1.00
93.70
MOL3
C


ATOM
10798
CG1
VAL
H
64
−6.499
−71.140
−21.711
1.00
96.30
MOL3
C


ATOM
10799
CG2
VAL
H
64
−4.954
−71.175
−23.674
1.00
94.32
MOL3
C


ATOM
10800
C
VAL
H
64
−6.748
−72.961
−25.053
1.00
96.79
MOL3
C


ATOM
10801
O
VAL
H
64
−7.037
−72.035
−25.816
1.00
96.76
MOL3
O


ATOM
10802
N
LYS
H
65
−6.308
−74.145
−25.473
1.00
95.31
MOL3
N


ATOM
10803
CA
LYS
H
65
−6.168
−74.411
−26.892
1.00
94.68
MOL3
C


ATOM
10804
CB
LYS
H
65
−5.389
−75.703
−27.120
1.00
97.79
MOL3
C


ATOM
10805
CG
LYS
H
65
−3.917
−75.620
−26.727
1.00
105.41
MOL3
C


ATOM
10806
CD
LYS
H
65
−3.130
−76.823
−27.248
1.00
111.88
MOL3
C


ATOM
10807
CE
LYS
H
65
−3.241
−76.949
−28.776
1.00
117.99
MOL3
C


ATOM
10808
NZ
LYS
H
65
−2.605
−78.188
−29.340
1.00
117.99
MOL3
N


ATOM
10809
C
LYS
H
65
−7.548
−74.499
−27.519
1.00
93.17
MOL3
C


ATOM
10810
O
LYS
H
65
−8.502
−74.954
−26.891
1.00
90.62
MOL3
O


ATOM
10811
N
GLY
H
66
−7.654
−74.041
−28.758
1.00
94.38
MOL3
N


ATOM
10812
CA
GLY
H
66
−8.934
−74.064
−29.441
1.00
97.52
MOL3
C


ATOM
10813
C
GLY
H
66
−9.857
−72.956
−28.961
1.00
98.00
MOL3
C


ATOM
10814
O
GLY
H
66
−10.562
−72.320
−29.757
1.00
100.20
MOL3
O


ATOM
10815
N
ARG
H
67
−9.843
−72.716
−27.652
1.00
91.62
MOL3
N


ATOM
10816
CA
ARG
H
67
−10.680
−71.694
−27.043
1.00
83.37
MOL3
C


ATOM
10817
CB
ARG
H
67
−10.836
−72.011
−25.561
1.00
73.95
MOL3
C


ATOM
10818
CG
ARG
H
67
−10.741
−73.499
−25.317
1.00
73.72
MOL3
C


ATOM
10819
CD
ARG
H
67
−11.347
−73.936
−24.004
1.00
80.67
MOL3
C


ATOM
10820
NE
ARG
H
67
−10.576
−73.505
−22.843
1.00
82.41
MOL3
N


ATOM
10821
CZ
ARG
H
67
−10.706
−72.323
−22.254
1.00
76.67
MOL3
C


ATOM
10822
NH1
ARG
H
67
−9.953
−72.026
−21.200
1.00
69.65
MOL3
N


ATOM
10823
NH2
ARG
H
67
−11.596
−71.449
−22.715
1.00
72.65
MOL3
N


ATOM
10824
C
ARG
H
67
−10.089
−70.305
−27.247
1.00
83.65
MOL3
C


ATOM
10825
O
ARG
H
67
−10.817
−69.342
−27.477
1.00
86.32
MOL3
O


ATOM
10826
N
PHE
H
68
−8.764
−70.212
−27.171
1.00
81.89
MOL3
N


ATOM
10827
CA
PHE
H
68
−8.058
−68.948
−27.352
1.00
81.08
MOL3
C


ATOM
10828
CB
PHE
H
68
−6.939
−68.819
−26.321
1.00
72.92
MOL3
C


ATOM
10829
CG
PHE
H
68
−7.395
−68.365
−24.971
1.00
71.33
MOL3
C


ATOM
10830
CD1
PHE
H
68
−8.714
−68.485
−24.589
1.00
73.75
MOL3
C


ATOM
10831
CD2
PHE
H
68
−6.487
−67.856
−24.061
1.00
72.40
MOL3
C


ATOM
10832
CE1
PHE
H
68
−9.123
−68.109
−23.320
1.00
69.11
MOL3
C


ATOM
10833
CE2
PHE
H
68
−6.887
−67.480
−22.795
1.00
70.70
MOL3
C


ATOM
10834
CZ
PHE
H
68
−8.210
−67.609
−22.425
1.00
69.29
MOL3
C


ATOM
10835
C
PHE
H
68
−7.436
−68.881
−28.743
1.00
84.69
MOL3
C


ATOM
10836
O
PHE
H
68
−7.245
−69.911
−29.399
1.00
84.19
MOL3
O


ATOM
10837
N
THR
H
69
−7.117
−67.665
−29.184
1.00
85.37
MOL3
N


ATOM
10838
CA
THR
H
69
−6.479
−67.449
−30.480
1.00
81.81
MOL3
C


ATOM
10839
CB
THR
H
69
−7.502
−67.428
−31.627
1.00
85.13
MOL3
C


ATOM
10840
OG1
THR
H
69
−7.912
−68.771
−31.927
1.00
89.96
MOL3
O


ATOM
10841
CG2
THR
H
69
−6.892
−66.806
−32.868
1.00
86.41
MOL3
C


ATOM
10842
C
THR
H
69
−5.675
−66.154
−30.484
1.00
78.76
MOL3
C


ATOM
10843
O
THR
H
69
−6.221
−65.056
−30.378
1.00
81.27
MOL3
O


ATOM
10844
N
ILE
H
70
−4.364
−66.309
−30.612
1.00
72.91
MOL3
N


ATOM
10845
CA
ILE
H
70
−3.426
−65.196
−30.602
1.00
70.91
MOL3
C


ATOM
10846
CB
ILE
H
70
−2.139
−65.656
−29.849
1.00
65.12
MOL3
C


ATOM
10847
CG2
ILE
H
70
−1.458
−66.745
−30.625
1.00
66.98
MOL3
C


ATOM
10848
CG1
ILE
H
70
−1.180
−64.495
−29.604
1.00
60.99
MOL3
C


ATOM
10849
CD1
ILE
H
70
0.021
−64.911
−28.791
1.00
42.86
MOL3
C


ATOM
10850
C
ILE
H
70
−3.125
−64.740
−32.035
1.00
71.17
MOL3
C


ATOM
10851
O
ILE
H
70
−2.949
−65.561
−32.926
1.00
72.08
MOL3
O


ATOM
10852
N
SER
H
71
−3.070
−63.431
−32.260
1.00
74.25
MOL3
N


ATOM
10853
CA
SER
H
71
−2.810
−62.913
−33.600
1.00
77.76
MOL3
C


ATOM
10854
CB
SER
H
71
−4.120
−62.832
−34.368
1.00
84.72
MOL3
C


ATOM
10855
OG
SER
H
71
−5.076
−62.078
−33.634
1.00
92.41
MOL3
O


ATOM
10856
C
SER
H
71
−2.167
−61.537
−33.575
1.00
78.41
MOL3
C


ATOM
10857
O
SER
H
71
−2.275
−60.818
−32.583
1.00
80.38
MOL3
O


ATOM
10858
N
ARG
H
72
−1.517
−61.162
−34.673
1.00
76.70
MOL3
N


ATOM
10859
CA
ARG
H
72
−0.866
−59.857
−34.754
1.00
77.38
MOL3
C


ATOM
10860
CB
ARG
H
72
0.632
−60.005
−34.480
1.00
75.59
MOL3
C


ATOM
10861
CG
ARG
H
72
1.340
−60.977
−35.391
1.00
72.05
MOL3
C


ATOM
10862
CD
ARG
H
72
2.717
−61.268
−34.866
1.00
71.05
MOL3
C


ATOM
10863
NE
ARG
H
72
3.498
−60.050
−34.695
1.00
74.56
MOL3
N


ATOM
10864
CZ
ARG
H
72
4.619
−59.986
−33.984
1.00
78.18
MOL3
C


ATOM
10865
NH1
ARG
H
72
5.084
−61.071
−33.378
1.00
76.57
MOL3
N


ATOM
10866
NH2
ARG
H
72
5.280
−58.841
−33.881
1.00
79.10
MOL3
N


ATOM
10867
C
ARG
H
72
−1.073
−59.198
−36.108
1.00
78.26
MOL3
C


ATOM
10868
O
ARG
H
72
−1.565
−59.838
−37.040
1.00
80.43
MOL3
O


ATOM
10869
N
ASP
H
73
−0.701
−57.922
−36.215
1.00
79.15
MOL3
N


ATOM
10870
CA
ASP
H
73
−0.842
−57.204
−37.478
1.00
83.39
MOL3
C


ATOM
10871
CB
ASP
H
73
−1.724
−55.968
−37.318
1.00
87.45
MOL3
C


ATOM
10872
CG
ASP
H
73
−2.487
−55.623
−38.597
1.00
95.41
MOL3
C


ATOM
10873
OD1
ASP
H
73
−1.859
−55.575
−39.682
1.00
100.81
MOL3
O


ATOM
10874
OD2
ASP
H
73
−3.718
−55.399
−38.520
1.00
97.72
MOL3
O


ATOM
10875
C
ASP
H
73
0.498
−56.785
−38.083
1.00
84.03
MOL3
C


ATOM
10876
O
ASP
H
73
0.688
−56.864
−39.295
1.00
89.76
MOL3
O


ATOM
10877
N
ASN
H
74
1.425
−56.354
−37.240
1.00
83.32
MOL3
N


ATOM
10878
CA
ASN
H
74
2.731
−55.913
−37.701
1.00
83.34
MOL3
C


ATOM
10879
CB
ASN
H
74
3.367
−56.961
−38.605
1.00
84.66
MOL3
C


ATOM
10880
CG
ASN
H
74
3.817
−58.182
−37.827
1.00
89.27
MOL3
C


ATOM
10881
OD1
ASN
H
74
4.520
−59.046
−38.351
1.00
93.50
MOL3
O


ATOM
10882
ND2
ASN
H
74
3.411
−58.257
−36.562
1.00
85.97
MOL3
N


ATOM
10883
C
ASN
H
74
2.581
−54.581
−38.400
1.00
83.52
MOL3
C


ATOM
10884
O
ASN
H
74
3.550
−53.856
−38.603
1.00
89.31
MOL3
O


ATOM
10885
N
ALA
H
75
1.348
−54.272
−38.776
1.00
84.62
MOL3
N


ATOM
10886
CA
ALA
H
75
1.014
−52.986
−39.371
1.00
85.59
MOL3
C


ATOM
10887
CB
ALA
H
75
0.045
−53.148
−40.524
1.00
81.20
MOL3
C


ATOM
10888
C
ALA
H
75
0.299
−52.415
−38.165
1.00
89.52
MOL3
C


ATOM
10889
O
ALA
H
75
−0.260
−53.180
−37.374
1.00
92.00
MOL3
O


ATOM
10890
N
LYS
H
76
0.328
−51.101
−37.989
1.00
91.06
MOL3
N


ATOM
10891
CA
LYS
H
76
−0.327
−50.490
−36.828
1.00
93.31
MOL3
C


ATOM
10892
CB
LYS
H
76
−1.851
−50.634
−36.941
1.00
90.27
MOL3
C


ATOM
10893
CG
LYS
H
76
−2.399
−51.881
−36.289
1.00
82.81
MOL3
C


ATOM
10894
CD
LYS
H
76
−3.886
−52.035
−36.517
1.00
82.37
MOL3
C


ATOM
10895
CE
LYS
H
76
−4.199
−52.498
−37.922
1.00
76.83
MOL3
C


ATOM
10896
NZ
LYS
H
76
−5.476
−53.263
−37.927
1.00
76.47
MOL3
N


ATOM
10897
C
LYS
H
76
0.158
−51.097
−35.490
1.00
92.31
MOL3
C


ATOM
10898
O
LYS
H
76
−0.420
−50.837
−34.432
1.00
94.15
MOL3
O


ATOM
10899
N
ASN
H
77
1.212
−51.912
−35.550
1.00
87.30
MOL3
N


ATOM
10900
CA
ASN
H
77
1.806
−52.529
−34.363
1.00
78.14
MOL3
C


ATOM
10901
CB
ASN
H
77
2.726
−51.536
−33.656
1.00
83.99
MOL3
C


ATOM
10902
CG
ASN
H
77
3.860
−51.068
−34.518
1.00
82.72
MOL3
C


ATOM
10903
OD1
ASN
H
77
4.629
−50.196
−34.108
1.00
80.57
MOL3
O


ATOM
10904
ND2
ASN
H
77
3.986
−51.642
−35.714
1.00
84.30
MOL3
N


ATOM
10905
C
ASN
H
77
0.819
−53.012
−33.314
1.00
70.11
MOL3
C


ATOM
10906
O
ASN
H
77
0.691
−52.382
−32.267
1.00
66.82
MOL3
O


ATOM
10907
N
SER
H
78
0.143
−54.124
−33.550
1.00
60.84
MOL3
N


ATOM
10908
CA
SER
H
78
−0.807
−54.606
−32.554
1.00
57.37
MOL3
C


ATOM
10909
CB
SER
H
78
−2.229
−54.175
−32.905
1.00
56.83
MOL3
C


ATOM
10910
OG
SER
H
78
−2.395
−52.781
−32.769
1.00
66.79
MOL3
O


ATOM
10911
C
SER
H
78
−0.829
−56.101
−32.328
1.00
53.26
MOL3
C


ATOM
10912
O
SER
H
78
−0.669
−56.886
−33.244
1.00
52.52
MOL3
O


ATOM
10913
N
LEU
H
79
−1.060
−56.483
−31.083
1.00
56.04
MOL3
N


ATOM
10914
CA
LEU
H
79
−1.139
−57.886
−30.703
1.00
58.73
MOL3
C


ATOM
10915
CB
LEU
H
79
−0.110
−58.233
−29.627
1.00
63.94
MOL3
C


ATOM
10916
CG
LEU
H
79
−0.303
−59.632
−29.027
1.00
67.03
MOL3
C


ATOM
10917
CD1
LEU
H
79
−0.069
−60.710
−30.095
1.00
61.98
MOL3
C


ATOM
10918
CD2
LEU
H
79
0.653
−59.813
−27.860
1.00
69.74
MOL3
C


ATOM
10919
C
LEU
H
79
−2.525
−58.127
−30.140
1.00
59.16
MOL3
C


ATOM
10920
O
LEU
H
79
−3.005
−57.355
−29.310
1.00
60.85
MOL3
O


ATOM
10921
N
TYR
H
80
−3.160
−59.207
−30.581
1.00
59.60
MOL3
N


ATOM
10922
CA
TYR
H
80
−4.511
−59.533
−30.129
1.00
58.99
MOL3
C


ATOM
10923
CB
TYR
H
80
−5.503
−59.465
−31.293
1.00
55.82
MOL3
C


ATOM
10924
CG
TYR
H
80
−5.399
−58.235
−32.150
1.00
59.36
MOL3
C


ATOM
10925
CD1
TYR
H
80
−5.652
−56.974
−31.629
1.00
64.60
MOL3
C


ATOM
10926
CE1
TYR
H
80
−5.537
−55.843
−32.416
1.00
65.64
MOL3
C


ATOM
10927
CD2
TYR
H
80
−5.030
−58.329
−33.481
1.00
61.01
MOL3
C


ATOM
10928
CE2
TYR
H
80
−4.910
−57.204
−34.271
1.00
59.14
MOL3
C


ATOM
10929
CZ
TYR
H
80
−5.165
−55.971
−33.735
1.00
60.95
MOL3
C


ATOM
10930
OH
TYR
H
80
−5.060
−54.859
−34.522
1.00
67.08
MOL3
O


ATOM
10931
C
TYR
H
80
−4.644
−60.919
−29.513
1.00
60.27
MOL3
C


ATOM
10932
O
TYR
H
80
−3.871
−61.833
−29.806
1.00
60.76
MOL3
O


ATOM
10933
N
LEU
H
81
−5.644
−61.063
−28.655
1.00
58.53
MOL3
N


ATOM
10934
CA
LEU
H
81
−5.931
−62.346
−28.044
1.00
59.99
MOL3
C


ATOM
10935
CB
LEU
H
81
−5.462
−62.403
−26.595
1.00
50.64
MOL3
C


ATOM
10936
CG
LEU
H
81
−5.792
−63.749
−25.952
1.00
44.10
MOL3
C


ATOM
10937
CD1
LEU
H
81
−4.999
−64.816
−26.630
1.00
40.53
MOL3
C


ATOM
10938
CD2
LEU
H
81
−5.475
−63.740
−24.477
1.00
47.90
MOL3
C


ATOM
10939
C
LEU
H
81
−7.438
−62.530
−28.110
1.00
65.84
MOL3
C


ATOM
10940
O
LEU
H
81
−8.195
−61.711
−27.584
1.00
68.73
MOL3
O


ATOM
10941
N
GLN
H
82
−7.866
−63.592
−28.785
1.00
71.66
MOL3
N


ATOM
10942
CA
GLN
H
82
−9.286
−63.898
−28.925
1.00
76.01
MOL3
C


ATOM
10943
CB
GLN
H
82
−9.612
−64.394
−30.326
1.00
77.87
MOL3
C


ATOM
10944
CG
GLN
H
82
−11.094
−64.592
−30.554
1.00
79.24
MOL3
C


ATOM
10945
CD
GLN
H
82
−11.871
−63.287
−30.477
1.00
82.83
MOL3
C


ATOM
10946
OE1
GLN
H
82
−11.562
−62.321
−31.183
1.00
79.11
MOL3
O


ATOM
10947
NE2
GLN
H
82
−12.891
−63.255
−29.623
1.00
82.97
MOL3
N


ATOM
10948
C
GLN
H
82
−9.655
−64.982
−27.940
1.00
78.00
MOL3
C


ATOM
10949
O
GLN
H
82
−9.270
−66.141
−28.104
1.00
75.52
MOL3
O


ATOM
10950
N
MET
H
83
−10.409
−64.603
−26.919
1.00
81.38
MOL3
N


ATOM
10951
CA
MET
H
83
−10.813
−65.556
−25.904
1.00
83.45
MOL3
C


ATOM
10952
CB
MET
H
83
−10.563
−64.971
−24.517
1.00
83.00
MOL3
C


ATOM
10953
CG
MET
H
83
−9.147
−64.454
−24.314
1.00
73.51
MOL3
C


ATOM
10954
SD
MET
H
83
−8.778
−64.189
−22.577
1.00
72.08
MOL3
S


ATOM
10955
CE
MET
H
83
−9.688
−62.657
−22.254
1.00
75.89
MOL3
C


ATOM
10956
C
MET
H
83
−12.271
−65.983
−26.062
1.00
86.73
MOL3
C


ATOM
10957
O
MET
H
83
−13.200
−65.215
−25.790
1.00
89.34
MOL3
O


ATOM
10958
N
ASN
H
84
−12.450
−67.219
−26.522
1.00
87.09
MOL3
N


ATOM
10959
CA
ASN
H
84
−13.773
−67.799
−26.738
1.00
88.83
MOL3
C


ATOM
10960
CB
ASN
H
84
−13.856
−68.522
−28.095
1.00
87.32
MOL3
C


ATOM
10961
CG
ASN
H
84
−13.628
−67.600
−29.289
1.00
90.12
MOL3
C


ATOM
10962
OD1
ASN
H
84
−14.228
−66.531
−29.390
1.00
90.38
MOL3
O


ATOM
10963
ND2
ASN
H
84
−12.770
−68.030
−30.215
1.00
89.58
MOL3
N


ATOM
10964
C
ASN
H
84
−14.050
−68.823
−25.645
1.00
90.92
MOL3
C


ATOM
10965
O
ASN
H
84
−13.127
−69.347
−25.022
1.00
91.60
MOL3
O


ATOM
10966
N
SER
H
85
−15.325
−69.116
−25.422
1.00
92.60
MOL3
N


ATOM
10967
CA
SER
H
85
−15.709
−70.103
−24.419
1.00
92.77
MOL3
C


ATOM
10968
CB
SER
H
85
−15.327
−71.503
−24.898
1.00
93.17
MOL3
C


ATOM
10969
OG
SER
H
85
−15.907
−71.784
−26.162
1.00
95.37
MOL3
O


ATOM
10970
C
SER
H
85
−15.022
−69.832
−23.094
1.00
91.07
MOL3
C


ATOM
10971
O
SER
H
85
−14.607
−70.755
−22.399
1.00
92.03
MOL3
O


ATOM
10972
N
LEU
H
86
−14.907
−68.562
−22.745
1.00
89.75
MOL3
N


ATOM
10973
CA
LEU
H
86
−14.245
−68.194
−21.512
1.00
89.08
MOL3
C


ATOM
10974
CB
LEU
H
86
−14.381
−66.691
−21.274
1.00
85.61
MOL3
C


ATOM
10975
CG
LEU
H
86
−13.384
−65.865
−22.086
1.00
78.91
MOL3
C


ATOM
10976
CD1
LEU
H
86
−13.579
−64.384
−21.829
1.00
79.31
MOL3
C


ATOM
10977
CD2
LEU
H
86
−11.980
−66.292
−21.703
1.00
74.10
MOL3
C


ATOM
10978
C
LEU
H
86
−14.725
−68.960
−20.295
1.00
89.90
MOL3
C


ATOM
10979
O
LEU
H
86
−15.843
−68.768
−19.834
1.00
93.13
MOL3
O


ATOM
10980
N
ARG
H
87
−13.880
−69.847
−19.783
1.00
92.08
MOL3
N


ATOM
10981
CA
ARG
H
87
−14.232
−70.594
−18.584
1.00
96.78
MOL3
C


ATOM
10982
CB
ARG
H
87
−13.291
−71.787
−18.383
1.00
102.37
MOL3
C


ATOM
10983
CG
ARG
H
87
−13.471
−72.934
−19.379
1.00
112.26
MOL3
C


ATOM
10984
CD
ARG
H
87
−12.508
−74.078
−19.059
1.00
120.23
MOL3
C


ATOM
10985
NE
ARG
H
87
−12.595
−75.188
−20.006
1.00
131.15
MOL3
N


ATOM
10986
CZ
ARG
H
87
−11.737
−76.205
−20.039
1.00
136.65
MOL3
C


ATOM
10987
NH1
ARG
H
87
−10.728
−76.251
−19.178
1.00
139.89
MOL3
N


ATOM
10988
NH2
ARG
H
87
−11.882
−77.173
−20.934
1.00
139.76
MOL3
N


ATOM
10989
C
ARG
H
87
−14.098
−69.607
−17.419
1.00
96.43
MOL3
C


ATOM
10990
O
ARG
H
87
−13.832
−68.430
−17.635
1.00
96.71
MOL3
O


ATOM
10991
N
ALA
H
88
−14.280
−70.071
−16.190
1.00
96.62
MOL3
N


ATOM
10992
CA
ALA
H
88
−14.184
−69.183
−15.038
1.00
95.02
MOL3
C


ATOM
10993
CB
ALA
H
88
−15.168
−69.617
−13.963
1.00
100.74
MOL3
C


ATOM
10994
C
ALA
H
88
−12.777
−69.156
−14.472
1.00
92.76
MOL3
C


ATOM
10995
O
ALA
H
88
−12.364
−68.189
−13.845
1.00
90.60
MOL3
O


ATOM
10996
N
GLU
H
89
−12.045
−70.234
−14.693
1.00
92.27
MOL3
N


ATOM
10997
CA
GLU
H
89
−10.687
−70.326
−14.202
1.00
93.53
MOL3
C


ATOM
10998
CB
GLU
H
89
−10.242
−71.793
−14.182
1.00
101.54
MOL3
C


ATOM
10999
CG
GLU
H
89
−10.041
−72.426
−15.559
1.00
113.37
MOL3
C


ATOM
11000
CD
GLU
H
89
−10.782
−73.752
−15.724
1.00
120.39
MOL3
C


ATOM
11001
OE1
GLU
H
89
−10.482
−74.489
−16.694
1.00
121.99
MOL3
O


ATOM
11002
OE2
GLU
H
89
−11.670
−74.050
−14.890
1.00
122.54
MOL3
O


ATOM
11003
C
GLU
H
89
−9.758
−69.493
−15.083
1.00
89.20
MOL3
C


ATOM
11004
O
GLU
H
89
−8.536
−69.547
−14.944
1.00
89.55
MOL3
O


ATOM
11005
N
ASP
H
90
−10.335
−68.715
−15.990
1.00
82.95
MOL3
N


ATOM
11006
CA
ASP
H
90
−9.517
−67.888
−16.867
1.00
80.12
MOL3
C


ATOM
11007
CB
ASP
H
90
−10.044
−67.903
−18.306
1.00
80.37
MOL3
C


ATOM
11008
CG
ASP
H
90
−9.933
−69.272
−18.969
1.00
82.38
MOL3
C


ATOM
11009
OD1
ASP
H
90
−8.988
−70.036
−18.662
1.00
79.57
MOL3
O


ATOM
11010
OD2
ASP
H
90
−10.794
−69.575
−19.823
1.00
83.84
MOL3
O


ATOM
11011
C
ASP
H
90
−9.427
−66.451
−16.384
1.00
78.47
MOL3
C


ATOM
11012
O
ASP
H
90
−8.768
−65.624
−17.011
1.00
78.94
MOL3
O


ATOM
11013
N
THR
H
91
−10.088
−66.159
−15.268
1.00
76.99
MOL3
N


ATOM
11014
CA
THR
H
91
−10.083
−64.820
−14.685
1.00
72.56
MOL3
C


ATOM
11015
CB
THR
H
91
−10.919
−64.779
−13.414
1.00
68.77
MOL3
C


ATOM
11016
OG1
THR
H
91
−12.197
−65.366
−13.658
1.00
66.56
MOL3
O


ATOM
11017
CG2
THR
H
91
−11.113
−63.356
−12.973
1.00
78.03
MOL3
C


ATOM
11018
C
THR
H
91
−8.665
−64.444
−14.295
1.00
71.90
MOL3
C


ATOM
11019
O
THR
H
91
−7.977
−65.248
−13.670
1.00
74.87
MOL3
O


ATOM
11020
N
ALA
H
92
−8.236
−63.233
−14.649
1.00
70.95
MOL3
N


ATOM
11021
CA
ALA
H
92
−6.886
−62.769
−14.318
1.00
71.24
MOL3
C


ATOM
11022
CB
ALA
H
92
−5.853
−63.826
−14.695
1.00
70.68
MOL3
C


ATOM
11023
C
ALA
H
92
−6.533
−61.467
−15.011
1.00
69.69
MOL3
C


ATOM
11024
O
ALA
H
92
−7.360
−60.858
−15.701
1.00
71.59
MOL3
O


ATOM
11025
N
VAL
H
93
−5.292
−61.043
−14.808
1.00
64.42
MOL3
N


ATOM
11026
CA
VAL
H
93
−4.786
−59.838
−15.432
1.00
61.96
MOL3
C


ATOM
11027
CB
VAL
H
93
−3.846
−59.099
−14.520
1.00
57.64
MOL3
C


ATOM
11028
CG1
VAL
H
93
−3.438
−57.804
−15.164
1.00
59.76
MOL3
C


ATOM
11029
CG2
VAL
H
93
−4.508
−58.870
−13.192
1.00
66.11
MOL3
C


ATOM
11030
C
VAL
H
93
−3.978
−60.333
−16.613
1.00
63.36
MOL3
C


ATOM
11031
O
VAL
H
93
−3.042
−61.113
−16.443
1.00
64.35
MOL3
O


ATOM
11032
N
TYR
H
94
−4.343
−59.898
−17.810
1.00
60.17
MOL3
N


ATOM
11033
CA
TYR
H
94
−3.636
−60.336
−18.988
1.00
56.31
MOL3
C


ATOM
11034
CB
TYR
H
94
−4.621
−60.527
−20.151
1.00
60.66
MOL3
C


ATOM
11035
CG
TYR
H
94
−5.413
−61.812
−20.006
1.00
62.05
MOL3
C


ATOM
11036
CD1
TYR
H
94
−6.233
−62.017
−18.902
1.00
62.04
MOL3
C


ATOM
11037
CE1
TYR
H
94
−6.836
−63.237
−18.674
1.00
64.76
MOL3
C


ATOM
11038
CD2
TYR
H
94
−5.235
−62.871
−20.896
1.00
59.57
MOL3
C


ATOM
11039
CE2
TYR
H
94
−5.836
−64.100
−20.674
1.00
60.07
MOL3
C


ATOM
11040
CZ
TYR
H
94
−6.628
−64.275
−19.554
1.00
64.86
MOL3
C


ATOM
11041
OH
TYR
H
94
−7.164
−65.503
−19.265
1.00
66.73
MOL3
O


ATOM
11042
C
TYR
H
94
−2.543
−59.355
−19.334
1.00
56.03
MOL3
C


ATOM
11043
O
TYR
H
94
−2.800
−58.162
−19.488
1.00
58.70
MOL3
O


ATOM
11044
N
TYR
H
95
−1.321
−59.881
−19.431
1.00
51.55
MOL3
N


ATOM
11045
CA
TYR
H
95
−0.137
−59.101
−19.744
1.00
42.22
MOL3
C


ATOM
11046
CB
TYR
H
95
0.966
−59.419
−18.755
1.00
38.82
MOL3
C


ATOM
11047
CG
TYR
H
95
0.683
−58.970
−17.355
1.00
39.30
MOL3
C


ATOM
11048
CD1
TYR
H
95
0.518
−59.893
−16.326
1.00
37.89
MOL3
C


ATOM
11049
CE1
TYR
H
95
0.306
−59.476
−15.026
1.00
34.23
MOL3
C


ATOM
11050
CD2
TYR
H
95
0.621
−57.619
−17.047
1.00
34.46
MOL3
C


ATOM
11051
CE2
TYR
H
95
0.412
−57.199
−15.761
1.00
36.30
MOL3
C


ATOM
11052
CZ
TYR
H
95
0.256
−58.127
−14.750
1.00
34.68
MOL3
C


ATOM
11053
OH
TYR
H
95
0.062
−57.687
−13.461
1.00
39.66
MOL3
O


ATOM
11054
C
TYR
H
95
0.387
−59.354
−21.141
1.00
44.72
MOL3
C


ATOM
11055
O
TYR
H
95
0.356
−60.478
−21.658
1.00
46.91
MOL3
O


ATOM
11056
N
CYS
H
96
0.893
−58.288
−21.734
1.00
43.61
MOL3
N


ATOM
11057
CA
CYS
H
96
1.454
−58.327
−23.064
1.00
45.33
MOL3
C


ATOM
11058
C
CYS
H
96
2.967
−58.281
−22.830
1.00
43.95
MOL3
C


ATOM
11059
O
CYS
H
96
3.444
−57.446
−22.060
1.00
48.14
MOL3
O


ATOM
11060
CB
CYS
H
96
0.949
−57.104
−23.794
1.00
43.81
MOL3
C


ATOM
11061
SG
CYS
H
96
1.413
−57.008
−25.520
1.00
63.60
MOL3
S


ATOM
11062
N
ALA
H
97
3.731
−59.172
−23.455
1.00
39.34
MOL3
N


ATOM
11063
CA
ALA
H
97
5.169
−59.161
−23.208
1.00
39.98
MOL3
C


ATOM
11064
CB
ALA
H
97
5.505
−60.193
−22.169
1.00
41.47
MOL3
C


ATOM
11065
C
ALA
H
97
6.040
−59.369
−24.428
1.00
43.99
MOL3
C


ATOM
11066
O
ALA
H
97
5.839
−60.323
−25.185
1.00
49.59
MOL3
O


ATOM
11067
N
SER
H
98
7.029
−58.490
−24.599
1.00
45.50
MOL3
N


ATOM
11068
CA
SER
H
98
7.949
−58.582
−25.739
1.00
48.71
MOL3
C


ATOM
11069
CB
SER
H
98
8.040
−57.237
−26.455
1.00
47.09
MOL3
C


ATOM
11070
OG
SER
H
98
8.883
−56.349
−25.738
1.00
52.41
MOL3
O


ATOM
11071
C
SER
H
98
9.363
−59.014
−25.327
1.00
48.46
MOL3
C


ATOM
11072
O
SER
H
98
9.743
−58.927
−24.163
1.00
52.57
MOL3
O


ATOM
11073
N
PRO
H
99
10.160
−59.496
−26.284
1.00
46.43
MOL3
N


ATOM
11074
CD
PRO
H
99
9.820
−59.832
−27.673
1.00
45.79
MOL3
C


ATOM
11075
CA
PRO
H
99
11.522
−59.923
−25.968
1.00
47.57
MOL3
C


ATOM
11076
CB
PRO
H
99
11.836
−60.899
−27.084
1.00
47.27
MOL3
C


ATOM
11077
CG
PRO
H
99
11.155
−60.268
−28.228
1.00
45.69
MOL3
C


ATOM
11078
C
PRO
H
99
12.439
−58.718
−26.008
1.00
48.22
MOL3
C


ATOM
11079
O
PRO
H
99
12.025
−57.635
−26.412
1.00
46.92
MOL3
O


ATOM
11080
N
PRO
H
100
13.703
−58.899
−25.609
1.00
48.79
MOL3
N


ATOM
11081
CD
PRO
H
100
14.264
−60.173
−25.141
1.00
50.49
MOL3
C


ATOM
11082
CA
PRO
H
100
14.723
−57.852
−25.579
1.00
47.39
MOL3
C


ATOM
11083
CB
PRO
H
100
15.859
−58.518
−24.825
1.00
46.63
MOL3
C


ATOM
11084
CG
PRO
H
100
15.738
−59.919
−25.254
1.00
49.38
MOL3
C


ATOM
11085
C
PRO
H
100
15.133
−57.318
−26.954
1.00
48.05
MOL3
C


ATOM
11086
O
PRO
H
100
15.271
−58.067
−27.914
1.00
46.59
MOL3
O


ATOM
11087
N
GLN
H
101
15.311
−56.000
−27.015
1.00
52.43
MOL3
N


ATOM
11088
CA
GLN
H
101
15.673
−55.276
−28.222
1.00
47.42
MOL3
C


ATOM
11089
CB
GLN
H
101
15.685
−53.763
−27.932
1.00
50.83
MOL3
C


ATOM
11090
CG
GLN
H
101
14.380
−53.185
−27.330
1.00
56.39
MOL3
C


ATOM
11091
CD
GLN
H
101
14.554
−52.571
−25.905
1.00
67.61
MOL3
C


ATOM
11092
OE1
GLN
H
101
14.920
−53.261
−24.932
1.00
59.74
MOL3
O


ATOM
11093
NE2
GLN
H
101
14.282
−51.268
−25.790
1.00
69.40
MOL3
N


ATOM
11094
C
GLN
H
101
17.025
−55.755
−28.760
1.00
50.03
MOL3
C


ATOM
11095
O
GLN
H
101
17.267
−55.677
−29.967
1.00
48.86
MOL3
O


ATOM
11096
N
TYR
H
102
17.923
−56.221
−27.887
1.00
50.25
MOL3
N


ATOM
11097
CA
TYR
H
102
19.182
−56.772
−28.394
1.00
55.53
MOL3
C


ATOM
11098
CB
TYR
H
102
20.284
−56.770
−27.336
1.00
46.94
MOL3
C


ATOM
11099
CG
TYR
H
102
19.803
−56.769
−25.913
1.00
55.59
MOL3
C


ATOM
11100
CD1
TYR
H
102
19.351
−57.930
−25.316
1.00
69.84
MOL3
C


ATOM
11101
CE1
TYR
H
102
18.923
−57.950
−23.989
1.00
67.91
MOL3
C


ATOM
11102
CD2
TYR
H
102
19.816
−55.617
−25.154
1.00
53.29
MOL3
C


ATOM
11103
CE2
TYR
H
102
19.390
−55.623
−23.830
1.00
62.04
MOL3
C


ATOM
11104
CZ
TYR
H
102
18.944
−56.796
−23.256
1.00
63.06
MOL3
C


ATOM
11105
OH
TYR
H
102
18.500
−56.827
−21.958
1.00
65.21
MOL3
O


ATOM
11106
C
TYR
H
102
18.831
−58.200
−28.834
1.00
60.02
MOL3
C


ATOM
11107
O
TYR
H
102
17.725
−58.442
−29.325
1.00
64.79
MOL3
O


ATOM
11108
N
TYR
H
103
19.729
−59.156
−28.691
1.00
57.42
MOL3
N


ATOM
11109
CA
TYR
H
103
19.374
−60.518
−29.114
1.00
60.46
MOL3
C


ATOM
11110
CB
TYR
H
103
18.664
−61.242
−27.961
1.00
45.82
MOL3
C


ATOM
11111
CG
TYR
H
103
19.618
−61.651
−26.880
1.00
39.77
MOL3
C


ATOM
11112
CD1
TYR
H
103
20.638
−62.551
−27.146
1.00
36.24
MOL3
C


ATOM
11113
CE1
TYR
H
103
21.625
−62.806
−26.220
1.00
34.88
MOL3
C


ATOM
11114
CD2
TYR
H
103
19.599
−61.029
−25.642
1.00
33.49
MOL3
C


ATOM
11115
CE2
TYR
H
103
20.582
−61.275
−24.704
1.00
34.89
MOL3
C


ATOM
11116
CZ
TYR
H
103
21.597
−62.163
−25.002
1.00
37.47
MOL3
C


ATOM
11117
OH
TYR
H
103
22.610
−62.383
−24.096
1.00
40.59
MOL3
O


ATOM
11118
C
TYR
H
103
18.557
−60.772
−30.413
1.00
62.77
MOL3
C


ATOM
11119
O
TYR
H
103
19.063
−60.708
−31.538
1.00
64.32
MOL3
O


ATOM
11120
N
GLU
H
104
17.281
−61.067
−30.219
1.00
68.52
MOL3
N


ATOM
11121
CA
GLU
H
104
16.352
−61.445
−31.280
1.00
73.65
MOL3
C


ATOM
11122
CB
GLU
H
104
15.765
−60.284
−32.065
1.00
75.49
MOL3
C


ATOM
11123
CG
GLU
H
104
14.287
−60.576
−32.462
1.00
79.39
MOL3
C


ATOM
11124
CD
GLU
H
104
14.026
−61.971
−33.098
1.00
81.53
MOL3
C


ATOM
11125
OE1
GLU
H
104
14.326
−62.152
−34.298
1.00
83.61
MOL3
O


ATOM
11126
OE2
GLU
H
104
13.504
−62.885
−32.412
1.00
71.90
MOL3
O


ATOM
11127
C
GLU
H
104
16.970
−62.390
−32.255
1.00
77.87
MOL3
C


ATOM
11128
O
GLU
H
104
17.094
−63.566
−31.945
1.00
82.18
MOL3
O


ATOM
11129
N
GLY
H
105
17.356
−61.883
−33.426
1.00
83.29
MOL3
N


ATOM
11130
CA
GLY
H
105
17.925
−62.738
−34.461
1.00
91.56
MOL3
C


ATOM
11131
C
GLY
H
105
16.860
−63.698
−35.008
1.00
94.92
MOL3
C


ATOM
11132
O
GLY
H
105
16.944
−64.140
−36.159
1.00
98.10
MOL3
O


ATOM
11133
N
SER
H
106
15.865
−63.993
−34.157
1.00
91.38
MOL3
N


ATOM
11134
CA
SER
H
106
14.724
−64.883
−34.406
1.00
79.67
MOL3
C


ATOM
11135
CB
SER
H
106
14.992
−65.830
−35.568
1.00
82.97
MOL3
C


ATOM
11136
OG
SER
H
106
15.976
−66.790
−35.220
1.00
87.86
MOL3
O


ATOM
11137
C
SER
H
106
14.516
−65.709
−33.135
1.00
76.13
MOL3
C


ATOM
11138
O
SER
H
106
13.424
−66.194
−32.874
1.00
74.49
MOL3
O


ATOM
11139
N
ILE
H
107
15.595
−65.862
−32.368
1.00
70.79
MOL3
N


ATOM
11140
CA
ILE
H
107
15.648
−66.599
−31.103
1.00
65.83
MOL3
C


ATOM
11141
CB
ILE
H
107
16.545
−65.844
−30.114
1.00
57.68
MOL3
C


ATOM
11142
CG2
ILE
H
107
16.497
−66.513
−28.753
1.00
52.02
MOL3
C


ATOM
11143
CG1
ILE
H
107
17.965
−65.767
−30.680
1.00
53.71
MOL3
C


ATOM
11144
CD1
ILE
H
107
18.924
−64.891
−29.897
1.00
51.07
MOL3
C


ATOM
11145
C
ILE
H
107
14.305
−66.864
−30.423
1.00
71.45
MOL3
C


ATOM
11146
O
ILE
H
107
13.680
−65.946
−29.897
1.00
75.63
MOL3
O


ATOM
11147
N
TYR
H
108
13.877
−68.122
−30.395
1.00
72.70
MOL3
N


ATOM
11148
CA
TYR
H
108
12.590
−68.453
−29.788
1.00
70.96
MOL3
C


ATOM
11149
CB
TYR
H
108
12.095
−69.821
−30.276
1.00
75.57
MOL3
C


ATOM
11150
CG
TYR
H
108
10.795
−70.266
−29.633
1.00
76.72
MOL3
C


ATOM
11151
CD1
TYR
H
108
9.587
−69.672
−29.968
1.00
79.87
MOL3
C


ATOM
11152
CE1
TYR
H
108
8.398
−70.052
−29.342
1.00
84.10
MOL3
C


ATOM
11153
CD2
TYR
H
108
10.785
−71.254
−28.658
1.00
79.63
MOL3
C


ATOM
11154
CE2
TYR
H
108
9.607
−71.638
−28.026
1.00
84.89
MOL3
C


ATOM
11155
CZ
TYR
H
108
8.418
−71.033
−28.367
1.00
85.99
MOL3
C


ATOM
11156
OH
TYR
H
108
7.262
−71.382
−27.698
1.00
85.76
MOL3
O


ATOM
11157
C
TYR
H
108
12.582
−68.447
−28.269
1.00
66.39
MOL3
C


ATOM
11158
O
TYR
H
108
11.756
−67.763
−27.662
1.00
66.11
MOL3
O


ATOM
11159
N
ARG
H
109
13.501
−69.210
−27.672
1.00
60.68
MOL3
N


ATOM
11160
CA
ARG
H
109
13.622
−69.367
−26.212
1.00
57.47
MOL3
C


ATOM
11161
CB
ARG
H
109
14.825
−70.256
−25.877
1.00
64.22
MOL3
C


ATOM
11162
CG
ARG
H
109
14.804
−71.664
−26.449
1.00
77.26
MOL3
C


ATOM
11163
CD
ARG
H
109
13.703
−72.498
−25.832
1.00
86.22
MOL3
C


ATOM
11164
NE
ARG
H
109
13.930
−73.935
−25.963
1.00
97.73
MOL3
N


ATOM
11165
CZ
ARG
H
109
13.978
−74.596
−27.117
1.00
105.94
MOL3
C


ATOM
11166
NH1
ARG
H
109
13.820
−73.958
−28.272
1.00
107.40
MOL3
N


ATOM
11167
NH2
ARG
H
109
14.172
−75.908
−27.113
1.00
113.45
MOL3
N


ATOM
11168
C
ARG
H
109
13.763
−68.076
−25.405
1.00
53.74
MOL3
C


ATOM
11169
O
ARG
H
109
13.870
−68.107
−24.178
1.00
50.39
MOL3
O


ATOM
11170
N
LEU
H
110
13.764
−66.950
−26.104
1.00
52.94
MOL3
N


ATOM
11171
CA
LEU
H
110
13.920
−65.620
−25.516
1.00
44.20
MOL3
C


ATOM
11172
CB
LEU
H
110
13.718
−64.580
−26.611
1.00
44.89
MOL3
C


ATOM
11173
CG
LEU
H
110
14.757
−63.476
−26.691
1.00
42.03
MOL3
C


ATOM
11174
CD1
LEU
H
110
15.903
−63.797
−25.744
1.00
44.64
MOL3
C


ATOM
11175
CD2
LEU
H
110
15.237
−63.363
−28.118
1.00
27.69
MOL3
C


ATOM
11176
C
LEU
H
110
12.999
−65.288
−24.367
1.00
40.38
MOL3
C


ATOM
11177
O
LEU
H
110
11.781
−65.399
−24.491
1.00
43.05
MOL3
O


ATOM
11178
N
TRP
H
111
13.580
−64.844
−23.259
1.00
41.21
MOL3
N


ATOM
11179
CA
TRP
H
111
12.796
−64.463
−22.081
1.00
46.91
MOL3
C


ATOM
11180
CB
TRP
H
111
13.723
−64.172
−20.927
1.00
44.02
MOL3
C


ATOM
11181
CG
TRP
H
111
14.741
−63.205
−21.304
1.00
44.21
MOL3
C


ATOM
11182
CD2
TRP
H
111
15.962
−63.484
−21.974
1.00
46.92
MOL3
C


ATOM
11183
CE2
TRP
H
111
16.635
−62.274
−22.132
1.00
47.79
MOL3
C


ATOM
11184
CE3
TRP
H
111
16.554
−64.646
−22.454
1.00
56.76
MOL3
C


ATOM
11185
CD1
TRP
H
111
14.713
−61.878
−21.092
1.00
51.48
MOL3
C


ATOM
11186
NE1
TRP
H
111
15.854
−61.298
−21.584
1.00
55.01
MOL3
N


ATOM
11187
CZ2
TRP
H
111
17.865
−62.190
−22.744
1.00
57.38
MOL3
C


ATOM
11188
CZ3
TRP
H
111
17.783
−64.560
−23.063
1.00
56.79
MOL3
C


ATOM
11189
CH2
TRP
H
111
18.424
−63.349
−23.202
1.00
57.16
MOL3
C


ATOM
11190
C
TRP
H
111
12.101
−63.190
−22.460
1.00
47.34
MOL3
C


ATOM
11191
O
TRP
H
111
12.016
−62.875
−23.645
1.00
58.35
MOL3
O


ATOM
11192
N
PHE
H
112
11.576
−62.454
−21.488
1.00
42.90
MOL3
N


ATOM
11193
CA
PHE
H
112
10.974
−61.191
−21.876
1.00
50.92
MOL3
C


ATOM
11194
CB
PHE
H
112
9.540
−61.348
−22.475
1.00
59.93
MOL3
C


ATOM
11195
CG
PHE
H
112
8.655
−62.430
−21.854
1.00
57.20
MOL3
C


ATOM
11196
CD1
PHE
H
112
7.995
−63.347
−22.687
1.00
51.87
MOL3
C


ATOM
11197
CD2
PHE
H
112
8.422
−62.496
−20.500
1.00
52.26
MOL3
C


ATOM
11198
CE1
PHE
H
112
7.135
−64.297
−22.191
1.00
34.50
MOL3
C


ATOM
11199
CE2
PHE
H
112
7.551
−63.459
−20.001
1.00
55.87
MOL3
C


ATOM
11200
CZ
PHE
H
112
6.911
−64.359
−20.860
1.00
43.50
MOL3
C


ATOM
11201
C
PHE
H
112
10.988
−60.016
−20.927
1.00
48.47
MOL3
C


ATOM
11202
O
PHE
H
112
10.466
−60.088
−19.814
1.00
42.85
MOL3
O


ATOM
11203
N
ALA
H
113
11.630
−58.941
−21.397
1.00
47.44
MOL3
N


ATOM
11204
CA
ALA
H
113
11.699
−57.677
−20.674
1.00
44.75
MOL3
C


ATOM
11205
CB
ALA
H
113
12.964
−56.955
−20.977
1.00
43.44
MOL3
C


ATOM
11206
C
ALA
H
113
10.540
−56.950
−21.298
1.00
45.85
MOL3
C


ATOM
11207
O
ALA
H
113
10.031
−57.385
−22.323
1.00
53.70
MOL3
O


ATOM
11208
N
HIS
H
114
10.101
−55.856
−20.706
1.00
44.73
MOL3
N


ATOM
11209
CA
HIS
H
114
8.965
−55.140
−21.275
1.00
43.87
MOL3
C


ATOM
11210
CB
HIS
H
114
9.236
−54.796
−22.734
1.00
47.49
MOL3
C


ATOM
11211
CG
HIS
H
114
10.571
−54.178
−22.965
1.00
47.48
MOL3
C


ATOM
11212
CD2
HIS
H
114
11.557
−54.489
−23.837
1.00
47.60
MOL3
C


ATOM
11213
ND1
HIS
H
114
11.019
−53.093
−22.241
1.00
52.82
MOL3
N


ATOM
11214
CE1
HIS
H
114
12.229
−52.764
−22.657
1.00
59.40
MOL3
C


ATOM
11215
NE2
HIS
H
114
12.579
−53.595
−23.625
1.00
58.20
MOL3
N


ATOM
11216
C
HIS
H
114
7.645
−55.916
−21.195
1.00
40.81
MOL3
C


ATOM
11217
O
HIS
H
114
7.375
−56.835
−21.978
1.00
35.72
MOL3
O


ATOM
11218
N
TRP
H
115
6.832
−55.519
−20.228
1.00
41.79
MOL3
N


ATOM
11219
CA
TRP
H
115
5.514
−56.086
−19.994
1.00
41.86
MOL3
C


ATOM
11220
CB
TRP
H
115
5.393
−56.663
−18.576
1.00
38.41
MOL3
C


ATOM
11221
CG
TRP
H
115
6.217
−57.853
−18.289
1.00
37.34
MOL3
C


ATOM
11222
CD2
TRP
H
115
5.746
−59.155
−17.909
1.00
43.06
MOL3
C


ATOM
11223
CE2
TRP
H
115
6.880
−59.982
−17.760
1.00
40.84
MOL3
C


ATOM
11224
CE3
TRP
H
115
4.477
−59.703
−17.688
1.00
39.73
MOL3
C


ATOM
11225
CD1
TRP
H
115
7.566
−57.939
−18.346
1.00
39.27
MOL3
C


ATOM
11226
NE1
TRP
H
115
7.980
−59.215
−18.032
1.00
41.55
MOL3
N


ATOM
11227
CZ2
TRP
H
115
6.786
−61.326
−17.400
1.00
35.42
MOL3
C


ATOM
11228
CZ3
TRP
H
115
4.386
−61.033
−17.335
1.00
37.87
MOL3
C


ATOM
11229
CH2
TRP
H
115
5.536
−61.831
−17.193
1.00
37.55
MOL3
C


ATOM
11230
C
TRP
H
115
4.580
−54.878
−20.081
1.00
45.00
MOL3
C


ATOM
11231
O
TRP
H
115
4.990
−53.743
−19.831
1.00
45.07
MOL3
O


ATOM
11232
N
GLY
H
116
3.324
−55.108
−20.427
1.00
43.82
MOL3
N


ATOM
11233
CA
GLY
H
116
2.408
−53.992
−20.479
1.00
47.62
MOL3
C


ATOM
11234
C
GLY
H
116
1.920
−53.792
−19.064
1.00
50.34
MOL3
C


ATOM
11235
O
GLY
H
116
2.449
−54.402
−18.154
1.00
45.88
MOL3
O


ATOM
11236
N
GLN
H
117
0.928
−52.937
−18.857
1.00
58.66
MOL3
N


ATOM
11237
CA
GLN
H
117
0.401
−52.751
−17.514
1.00
61.51
MOL3
C


ATOM
11238
CB
GLN
H
117
−0.203
−51.349
−17.354
1.00
70.43
MOL3
C


ATOM
11239
CG
GLN
H
117
−0.659
−50.680
−18.656
1.00
87.36
MOL3
C


ATOM
11240
CD
GLN
H
117
−1.991
−51.204
−19.170
1.00
92.80
MOL3
C


ATOM
11241
OE1
GLN
H
117
−3.021
−51.085
−18.499
1.00
95.16
MOL3
O


ATOM
11242
NE2
GLN
H
117
−1.978
−51.780
−20.368
1.00
92.67
MOL3
N


ATOM
11243
C
GLN
H
117
−0.640
−53.844
−17.261
1.00
59.17
MOL3
C


ATOM
11244
O
GLN
H
117
−0.942
−54.172
−16.121
1.00
60.38
MOL3
O


ATOM
11245
N
GLY
H
118
−1.172
−54.415
−18.338
1.00
58.73
MOL3
N


ATOM
11246
CA
GLY
H
118
−2.146
−55.487
−18.216
1.00
52.72
MOL3
C


ATOM
11247
C
GLY
H
118
−3.582
−55.045
−18.058
1.00
50.79
MOL3
C


ATOM
11248
O
GLY
H
118
−3.842
−53.941
−17.590
1.00
52.19
MOL3
O


ATOM
11249
N
THR
H
119
−4.515
−55.903
−18.465
1.00
51.53
MOL3
N


ATOM
11250
CA
THR
H
119
−5.944
−55.609
−18.339
1.00
52.25
MOL3
C


ATOM
11251
CB
THR
H
119
−6.646
−55.514
−19.675
1.00
51.94
MOL3
C


ATOM
11252
OG1
THR
H
119
−6.441
−56.736
−20.390
1.00
46.45
MOL3
O


ATOM
11253
CG2
THR
H
119
−6.125
−54.334
−20.460
1.00
58.58
MOL3
C


ATOM
11254
C
THR
H
119
−6.629
−56.729
−17.591
1.00
49.07
MOL3
C


ATOM
11255
O
THR
H
119
−6.326
−57.904
−17.787
1.00
42.26
MOL3
O


ATOM
11256
N
LEU
H
120
−7.577
−56.356
−16.748
1.00
50.02
MOL3
N


ATOM
11257
CA
LEU
H
120
−8.294
−57.337
−15.965
0.50
47.90
MOL3
C


ATOM
11258
CB
LEU
H
120
−8.811
−56.699
−14.694
1.00
47.04
MOL3
C


ATOM
11259
CG
LEU
H
120
−9.591
−57.678
−13.851
1.00
42.65
MOL3
C


ATOM
11260
CD1
LEU
H
120
−8.945
−59.043
−13.898
1.00
42.81
MOL3
C


ATOM
11261
CD2
LEU
H
120
−9.648
−57.133
−12.443
1.00
57.87
MOL3
C


ATOM
11262
C
LEU
H
120
−9.446
−57.984
−16.711
1.00
47.31
MOL3
C


ATOM
11263
O
LEU
H
120
−10.246
−57.312
−17.360
1.00
53.62
MOL3
O


ATOM
11264
N
VAL
H
121
−9.526
−59.301
−16.615
1.00
43.57
MOL3
N


ATOM
11265
CA
VAL
H
121
−10.585
−60.048
−17.274
1.00
46.90
MOL3
C


ATOM
11266
CB
VAL
H
121
−10.028
−60.913
−18.431
1.00
42.22
MOL3
C


ATOM
11267
CG1
VAL
H
121
−11.013
−61.946
−18.860
1.00
35.72
MOL3
C


ATOM
11268
CG2
VAL
H
121
−9.749
−60.053
−19.608
1.00
57.37
MOL3
C


ATOM
11269
C
VAL
H
121
−11.228
−60.957
−16.247
1.00
54.19
MOL3
C


ATOM
11270
O
VAL
H
121
−10.612
−61.919
−15.795
1.00
54.20
MOL3
O


ATOM
11271
N
THR
H
122
−12.459
−60.648
−15.855
1.00
61.64
MOL3
N


ATOM
11272
CA
THR
H
122
−13.143
−61.485
−14.879
1.00
64.37
MOL3
C


ATOM
11273
CB
THR
H
122
−13.480
−60.709
−13.556
1.00
64.21
MOL3
C


ATOM
11274
OG1
THR
H
122
−14.752
−61.149
−13.063
1.00
63.64
MOL3
O


ATOM
11275
CG2
THR
H
122
−13.478
−59.192
−13.769
1.00
58.83
MOL3
C


ATOM
11276
C
THR
H
122
−14.389
−62.179
−15.417
1.00
64.05
MOL3
C


ATOM
11277
O
THR
H
122
−15.403
−61.563
−15.746
1.00
64.50
MOL3
O


ATOM
11278
N
VAL
H
123
−14.281
−63.491
−15.514
1.00
66.51
MOL3
N


ATOM
11279
CA
VAL
H
123
−15.375
−64.306
−15.995
1.00
75.45
MOL3
C


ATOM
11280
CB
VAL
H
123
−14.827
−65.500
−16.821
1.00
76.15
MOL3
C


ATOM
11281
CG1
VAL
H
123
−13.889
−66.316
−15.973
1.00
80.19
MOL3
C


ATOM
11282
CG2
VAL
H
123
−15.958
−66.356
−17.343
1.00
75.45
MOL3
C


ATOM
11283
C
VAL
H
123
−16.220
−64.801
−14.809
1.00
77.76
MOL3
C


ATOM
11284
O
VAL
H
123
−15.848
−65.743
−14.101
1.00
76.11
MOL3
O


ATOM
11285
N
SER
H
124
−17.353
−64.140
−14.587
1.00
80.57
MOL3
N


ATOM
11286
CA
SER
H
124
−18.257
−64.513
−13.505
1.00
86.50
MOL3
C


ATOM
11287
CB
SER
H
124
−18.024
−63.626
−12.277
1.00
93.22
MOL3
C


ATOM
11288
OG
SER
H
124
−18.629
−64.176
−11.112
1.00
98.83
MOL3
O


ATOM
11289
C
SER
H
124
−19.701
−64.392
−13.971
1.00
87.68
MOL3
C


ATOM
11290
O
SER
H
124
−20.028
−63.548
−14.803
1.00
90.87
MOL3
O


ATOM
11291
N
SER
H
125
−20.561
−65.248
−13.432
1.00
89.63
MOL3
N


ATOM
11292
CA
SER
H
125
−21.977
−65.265
−13.791
1.00
92.13
MOL3
C


ATOM
11293
CB
SER
H
125
−22.540
−66.674
−13.572
1.00
96.84
MOL3
C


ATOM
11294
OG
SER
H
125
−22.293
−67.117
−12.244
1.00
100.51
MOL3
O


ATOM
11295
C
SER
H
125
−22.800
−64.257
−12.991
1.00
88.79
MOL3
C


ATOM
11296
O
SER
H
125
−23.919
−63.917
−13.372
1.00
85.49
MOL3
O


ATOM
11297
N
ALA
H
126
−22.237
−63.790
−11.883
1.00
86.00
MOL3
N


ATOM
11298
CA
ALA
H
126
−22.907
−62.832
−11.016
1.00
84.53
MOL3
C


ATOM
11299
CB
ALA
H
126
−21.996
−62.442
−9.881
1.00
88.38
MOL3
C


ATOM
11300
C
ALA
H
126
−23.306
−61.596
−11.788
1.00
83.73
MOL3
C


ATOM
11301
O
ALA
H
126
−22.737
−61.307
−12.833
1.00
81.09
MOL3
O


ATOM
11302
N
LYS
H
127
−24.281
−60.863
−11.259
1.00
86.86
MOL3
N


ATOM
11303
CA
LYS
H
127
−24.763
−59.646
−11.906
1.00
87.73
MOL3
C


ATOM
11304
CB
LYS
H
127
−26.265
−59.743
−12.215
1.00
97.62
MOL3
C


ATOM
11305
CG
LYS
H
127
−26.743
−61.083
−12.805
1.00
110.82
MOL3
C


ATOM
11306
CD
LYS
H
127
−26.864
−62.183
−11.726
1.00
119.00
MOL3
C


ATOM
11307
CE
LYS
H
127
−27.463
−63.487
−12.279
1.00
121.43
MOL3
C


ATOM
11308
NZ
LYS
H
127
−27.600
−64.559
−11.240
1.00
119.53
MOL3
N


ATOM
11309
C
LYS
H
127
−24.508
−58.457
−10.997
1.00
83.80
MOL3
C


ATOM
11310
O
LYS
H
127
−24.482
−58.591
−9.773
1.00
88.07
MOL3
O


ATOM
11311
N
THR
H
128
−24.325
−57.289
−11.593
1.00
77.90
MOL3
N


ATOM
11312
CA
THR
H
128
−24.049
−56.092
−10.813
1.00
76.97
MOL3
C


ATOM
11313
CB
THR
H
128
−23.952
−54.860
−11.731
1.00
74.21
MOL3
C


ATOM
11314
OG1
THR
H
128
−22.834
−55.017
−12.615
1.00
70.27
MOL3
O


ATOM
11315
CG2
THR
H
128
−23.762
−53.599
−10.915
1.00
72.38
MOL3
C


ATOM
11316
C
THR
H
128
−25.057
−55.836
−9.686
1.00
77.21
MOL3
C


ATOM
11317
O
THR
H
128
−26.250
−55.648
−9.930
1.00
85.96
MOL3
O


ATOM
11318
N
THR
H
129
−24.572
−55.848
−8.448
1.00
69.74
MOL3
N


ATOM
11319
CA
THR
H
129
−25.438
−55.613
−7.310
1.00
67.73
MOL3
C


ATOM
11320
CB
THR
H
129
−25.731
−56.929
−6.519
1.00
69.81
MOL3
C


ATOM
11321
OG1
THR
H
129
−24.634
−57.234
−5.656
1.00
76.97
MOL3
O


ATOM
11322
CG2
THR
H
129
−25.943
−58.103
−7.461
1.00
65.64
MOL3
C


ATOM
11323
C
THR
H
129
−24.797
−54.596
−6.378
1.00
67.68
MOL3
C


ATOM
11324
O
THR
H
129
−23.605
−54.657
−6.103
1.00
71.46
MOL3
O


ATOM
11325
N
PRO
H
130
−25.565
−53.597
−5.933
1.00
66.63
MOL3
N


ATOM
11326
CD
PRO
H
130
−26.673
−52.937
−6.633
1.00
65.48
MOL3
C


ATOM
11327
CA
PRO
H
130
−24.896
−52.664
−5.031
1.00
65.88
MOL3
C


ATOM
11328
CB
PRO
H
130
−25.787
−51.419
−5.071
1.00
60.89
MOL3
C


ATOM
11329
CG
PRO
H
130
−27.069
−51.890
−5.649
1.00
62.80
MOL3
C


ATOM
11330
C
PRO
H
130
−24.710
−53.295
−3.652
1.00
69.90
MOL3
C


ATOM
11331
O
PRO
H
130
−25.303
−54.334
−3.345
1.00
73.73
MOL3
O


ATOM
11332
N
PRO
H
131
−23.857
−52.689
−2.817
1.00
70.45
MOL3
N


ATOM
11333
CD
PRO
H
131
−23.104
−51.471
−3.161
1.00
65.90
MOL3
C


ATOM
11334
CA
PRO
H
131
−23.512
−53.127
−1.465
1.00
73.01
MOL3
C


ATOM
11335
CB
PRO
H
131
−22.194
−52.427
−1.231
1.00
70.44
MOL3
C


ATOM
11336
CG
PRO
H
131
−22.474
−51.095
−1.841
1.00
64.04
MOL3
C


ATOM
11337
C
PRO
H
131
−24.497
−52.773
−0.386
1.00
76.32
MOL3
C


ATOM
11338
O
PRO
H
131
−25.164
−51.748
−0.462
1.00
76.84
MOL3
O


ATOM
11339
N
SER
H
132
−24.582
−53.634
0.619
1.00
77.23
MOL3
N


ATOM
11340
CA
SER
H
132
−25.444
−53.370
1.745
1.00
79.52
MOL3
C


ATOM
11341
CB
SER
H
132
−26.223
−54.626
2.136
1.00
79.39
MOL3
C


ATOM
11342
OG
SER
H
132
−27.347
−54.782
1.281
1.00
76.18
MOL3
O


ATOM
11343
C
SER
H
132
−24.429
−52.953
2.794
1.00
80.16
MOL3
C


ATOM
11344
O
SER
H
132
−23.408
−53.613
2.969
1.00
81.05
MOL3
O


ATOM
11345
N
VAL
H
133
−24.678
−51.833
3.462
1.00
80.73
MOL3
N


ATOM
11346
CA
VAL
H
133
−23.729
−51.354
4.456
1.00
77.55
MOL3
C


ATOM
11347
CB
VAL
H
133
−23.234
−49.961
4.068
1.00
74.70
MOL3
C


ATOM
11348
CG1
VAL
H
133
−22.156
−49.503
5.036
1.00
67.89
MOL3
C


ATOM
11349
CG2
VAL
H
133
−22.724
−49.992
2.636
1.00
67.06
MOL3
C


ATOM
11350
C
VAL
H
133
−24.230
−51.337
5.895
1.00
77.11
MOL3
C


ATOM
11351
O
VAL
H
133
−25.209
−50.671
6.229
1.00
79.78
MOL3
O


ATOM
11352
N
TYR
H
134
−23.532
−52.075
6.745
1.00
73.64
MOL3
N


ATOM
11353
CA
TYR
H
134
−23.893
−52.168
8.139
1.00
73.17
MOL3
C


ATOM
11354
CB
TYR
H
134
−24.151
−53.640
8.456
1.00
76.33
MOL3
C


ATOM
11355
CG
TYR
H
134
−25.084
−54.241
7.440
1.00
69.54
MOL3
C


ATOM
11356
CD1
TYR
H
134
−26.348
−53.716
7.255
1.00
70.76
MOL3
C


ATOM
11357
CE1
TYR
H
134
−27.185
−54.198
6.290
1.00
72.81
MOL3
C


ATOM
11358
CD2
TYR
H
134
−24.685
−55.279
6.628
1.00
67.53
MOL3
C


ATOM
11359
CE2
TYR
H
134
−25.522
−55.775
5.653
1.00
70.39
MOL3
C


ATOM
11360
CZ
TYR
H
134
−26.774
−55.229
5.487
1.00
71.99
MOL3
C


ATOM
11361
OH
TYR
H
134
−27.635
−55.711
4.521
1.00
73.51
MOL3
O


ATOM
11362
C
TYR
H
134
−22.760
−51.597
8.972
1.00
68.63
MOL3
C


ATOM
11363
O
TYR
H
134
−21.594
−51.752
8.631
1.00
65.24
MOL3
O


ATOM
11364
N
PRO
H
135
−23.096
−50.886
10.047
1.00
65.60
MOL3
N


ATOM
11365
CD
PRO
H
135
−24.381
−50.182
10.147
1.00
61.86
MOL3
C


ATOM
11366
CA
PRO
H
135
−22.103
−50.284
10.938
1.00
69.19
MOL3
C


ATOM
11367
CB
PRO
H
135
−22.797
−49.015
11.403
1.00
69.64
MOL3
C


ATOM
11368
CG
PRO
H
135
−24.228
−49.433
11.438
1.00
70.95
MOL3
C


ATOM
11369
C
PRO
H
135
−21.665
−51.172
12.099
1.00
70.59
MOL3
C


ATOM
11370
O
PRO
H
135
−22.488
−51.757
12.802
1.00
78.60
MOL3
O


ATOM
11371
N
LEU
H
136
−20.359
−51.267
12.296
1.00
65.79
MOL3
N


ATOM
11372
CA
LEU
H
136
−19.826
−52.075
13.371
1.00
71.09
MOL3
C


ATOM
11373
CB
LEU
H
136
−18.494
−52.678
12.937
1.00
68.96
MOL3
C


ATOM
11374
CG
LEU
H
136
−18.519
−53.926
12.050
1.00
69.64
MOL3
C


ATOM
11375
CD1
LEU
H
136
−19.863
−54.060
11.356
1.00
72.74
MOL3
C


ATOM
11376
CD2
LEU
H
136
−17.374
−53.851
11.047
1.00
63.09
MOL3
C


ATOM
11377
C
LEU
H
136
−19.642
−51.218
14.618
1.00
76.09
MOL3
C


ATOM
11378
O
LEU
H
136
−18.699
−50.437
14.710
1.00
74.57
MOL3
O


ATOM
11379
N
ALA
H
137
−20.552
−51.365
15.577
1.00
81.71
MOL3
N


ATOM
11380
CA
ALA
H
137
−20.484
−50.606
16.817
1.00
84.93
MOL3
C


ATOM
11381
CB
ALA
H
137
−21.803
−49.900
17.054
1.00
82.25
MOL3
C


ATOM
11382
C
ALA
H
137
−20.158
−51.528
17.989
1.00
89.90
MOL3
C


ATOM
11383
O
ALA
H
137
−20.551
−52.699
18.003
1.00
93.75
MOL3
O


ATOM
11384
N
PRO
H
138
−19.433
−51.008
18.990
1.00
91.29
MOL3
N


ATOM
11385
CD
PRO
H
138
−18.930
−49.624
19.015
1.00
85.59
MOL3
C


ATOM
11386
CA
PRO
H
138
−19.019
−51.733
20.196
1.00
94.76
MOL3
C


ATOM
11387
CB
PRO
H
138
−18.372
−50.638
21.038
1.00
89.04
MOL3
C


ATOM
11388
CG
PRO
H
138
−17.817
−49.714
20.010
1.00
84.54
MOL3
C


ATOM
11389
C
PRO
H
138
−20.176
−52.407
20.937
1.00
100.89
MOL3
C


ATOM
11390
O
PRO
H
138
−21.345
−52.148
20.660
1.00
100.36
MOL3
O


ATOM
11391
N
GLY
H
139
−19.836
−53.279
21.878
1.00
109.51
MOL3
N


ATOM
11392
CA
GLY
H
139
−20.853
−53.941
22.670
1.00
120.98
MOL3
C


ATOM
11393
C
GLY
H
139
−20.971
−53.181
23.978
1.00
128.74
MOL3
C


ATOM
11394
O
GLY
H
139
−20.295
−52.169
24.177
1.00
128.54
MOL3
O


ATOM
11395
N
SER
H
140
−21.822
−53.650
24.878
1.00
135.63
MOL3
N


ATOM
11396
CA
SER
H
140
−21.972
−52.966
26.150
1.00
141.95
MOL3
C


ATOM
11397
CB
SER
H
140
−23.390
−53.172
26.677
1.00
144.66
MOL3
C


ATOM
11398
OG
SER
H
140
−24.334
−52.676
25.736
1.00
145.22
MOL3
O


ATOM
11399
C
SER
H
140
−20.926
−53.468
27.140
1.00
145.89
MOL3
C


ATOM
11400
O
SER
H
140
−21.219
−53.715
28.310
1.00
145.25
MOL3
O


ATOM
11401
N
ALA
H
141
−19.697
−53.609
26.647
1.00
151.86
MOL3
N


ATOM
11402
CA
ALA
H
141
−18.571
−54.078
27.451
1.00
157.16
MOL3
C


ATOM
11403
CB
ALA
H
141
−17.701
−55.025
26.630
1.00
156.03
MOL3
C


ATOM
11404
C
ALA
H
141
−17.730
−52.911
27.973
1.00
160.68
MOL3
C


ATOM
11405
O
ALA
H
141
−16.497
−52.990
28.026
1.00
160.33
MOL3
O


ATOM
11406
N
ALA
H
142
−18.412
−51.831
28.348
1.00
164.19
MOL3
N


ATOM
11407
CA
ALA
H
142
−17.776
−50.631
28.893
1.00
166.64
MOL3
C


ATOM
11408
CB
ALA
H
142
−17.255
−50.915
30.311
1.00
166.91
MOL3
C


ATOM
11409
C
ALA
H
142
−16.650
−50.055
28.032
1.00
166.72
MOL3
C


ATOM
11410
O
ALA
H
142
−16.377
−50.539
26.931
1.00
165.63
MOL3
O


ATOM
11411
N
GLN
H
143
−16.003
−49.013
28.554
1.00
166.73
MOL3
N


ATOM
11412
CA
GLN
H
143
−14.907
−48.341
27.859
1.00
164.95
MOL3
C


ATOM
11413
CB
GLN
H
143
−15.225
−46.854
27.665
1.00
163.69
MOL3
C


ATOM
11414
CG
GLN
H
143
−15.857
−46.513
26.323
1.00
161.37
MOL3
C


ATOM
11415
CD
GLN
H
143
−17.151
−47.261
26.071
1.00
160.20
MOL3
C


ATOM
11416
OE1
GLN
H
143
−18.101
−47.162
26.851
1.00
159.41
MOL3
O


ATOM
11417
NE2
GLN
H
143
−17.198
−48.014
24.974
1.00
156.54
MOL3
N


ATOM
11418
C
GLN
H
143
−13.556
−48.471
28.556
1.00
164.79
MOL3
C


ATOM
11419
O
GLN
H
143
−13.273
−47.779
29.540
1.00
163.41
MOL3
O


ATOM
11420
N
THR
H
144
−12.724
−49.365
28.034
1.00
164.54
MOL3
N


ATOM
11421
CA
THR
H
144
−11.390
−49.570
28.578
1.00
163.56
MOL3
C


ATOM
11422
CB
THR
H
144
−11.071
−51.078
28.775
1.00
165.35
MOL3
C


ATOM
11423
OG1
THR
H
144
−12.120
−51.698
29.532
1.00
165.87
MOL3
O


ATOM
11424
CG2
THR
H
144
−9.750
−51.250
29.533
1.00
164.82
MOL3
C


ATOM
11425
C
THR
H
144
−10.412
−48.956
27.575
1.00
160.51
MOL3
C


ATOM
11426
O
THR
H
144
−10.699
−48.883
26.377
1.00
157.79
MOL3
O


ATOM
11427
N
ASN
H
145
−9.266
−48.505
28.078
1.00
157.51
MOL3
N


ATOM
11428
CA
ASN
H
145
−8.235
−47.872
27.258
1.00
149.48
MOL3
C


ATOM
11429
CB
ASN
H
145
−7.789
−48.795
26.115
1.00
149.22
MOL3
C


ATOM
11430
CG
ASN
H
145
−6.623
−48.222
25.324
1.00
147.20
MOL3
C


ATOM
11431
OD1
ASN
H
145
−5.591
−47.849
25.889
1.00
147.24
MOL3
O


ATOM
11432
ND2
ASN
H
145
−6.781
−48.153
24.010
1.00
145.12
MOL3
N


ATOM
11433
C
ASN
H
145
−8.715
−46.538
26.693
1.00
141.72
MOL3
C


ATOM
11434
O
ASN
H
145
−9.906
−46.215
26.720
1.00
138.02
MOL3
O


ATOM
11435
N
SER
H
146
−7.766
−45.771
26.178
1.00
133.95
MOL3
N


ATOM
11436
CA
SER
H
146
−8.045
−44.461
25.629
1.00
128.86
MOL3
C


ATOM
11437
CB
SER
H
146
−6.769
−43.621
25.683
1.00
132.13
MOL3
C


ATOM
11438
OG
SER
H
146
−6.175
−43.688
26.971
1.00
137.19
MOL3
O


ATOM
11439
C
SER
H
146
−8.582
−44.487
24.198
1.00
124.22
MOL3
C


ATOM
11440
O
SER
H
146
−9.107
−43.486
23.714
1.00
124.12
MOL3
O


ATOM
11441
N
MET
H
147
−8.456
−45.623
23.520
1.00
117.70
MOL3
N


ATOM
11442
CA
MET
H
147
−8.920
−45.725
22.137
1.00
107.72
MOL3
C


ATOM
11443
CB
MET
H
147
−7.779
−46.181
21.230
1.00
108.51
MOL3
C


ATOM
11444
CG
MET
H
147
−6.639
−45.192
21.135
1.00
114.40
MOL3
C


ATOM
11445
SD
MET
H
147
−7.112
−43.663
20.310
1.00
121.49
MOL3
S


ATOM
11446
CE
MET
H
147
−5.898
−43.614
18.963
1.00
119.67
MOL3
C


ATOM
11447
C
MET
H
147
−10.103
−46.650
21.926
1.00
102.40
MOL3
C


ATOM
11448
O
MET
H
147
−10.288
−47.627
22.645
1.00
103.99
MOL3
O


ATOM
11449
N
VAL
H
148
−10.895
−46.335
20.910
1.00
97.82
MOL3
N


ATOM
11450
CA
VAL
H
148
−12.077
−47.113
20.555
1.00
92.16
MOL3
C


ATOM
11451
CB
VAL
H
148
−13.377
−46.307
20.788
1.00
86.31
MOL3
C


ATOM
11452
CG1
VAL
H
148
−13.307
−44.993
20.058
1.00
80.24
MOL3
C


ATOM
11453
CG2
VAL
H
148
−14.570
−47.084
20.279
1.00
81.35
MOL3
C


ATOM
11454
C
VAL
H
148
−12.029
−47.470
19.075
1.00
90.39
MOL3
C


ATOM
11455
O
VAL
H
148
−11.738
−46.616
18.238
1.00
85.60
MOL3
O


ATOM
11456
N
THR
H
149
−12.314
−48.725
18.749
1.00
88.35
MOL3
N


ATOM
11457
CA
THR
H
149
−12.312
−49.133
17.356
1.00
81.69
MOL3
C


ATOM
11458
CB
THR
H
149
−11.509
−50.407
17.126
1.00
83.07
MOL3
C


ATOM
11459
OG1
THR
H
149
−10.128
−50.075
16.934
1.00
84.79
MOL3
O


ATOM
11460
CG2
THR
H
149
−12.027
−51.128
15.903
1.00
82.03
MOL3
C


ATOM
11461
C
THR
H
149
−13.715
−49.371
16.858
1.00
77.72
MOL3
C


ATOM
11462
O
THR
H
149
−14.471
−50.136
17.453
1.00
78.65
MOL3
O


ATOM
11463
N
LEU
H
150
−14.050
−48.692
15.764
1.00
73.41
MOL3
N


ATOM
11464
CA
LEU
H
150
−15.356
−48.794
15.117
1.00
69.81
MOL3
C


ATOM
11465
CB
LEU
H
150
−15.953
−47.419
14.866
1.00
69.43
MOL3
C


ATOM
11466
CG
LEU
H
150
−16.775
−46.808
15.985
1.00
71.83
MOL3
C


ATOM
11467
CD1
LEU
H
150
−16.098
−47.048
17.320
1.00
73.94
MOL3
C


ATOM
11468
CD2
LEU
H
150
−16.953
−45.330
15.697
1.00
73.90
MOL3
C


ATOM
11469
C
LEU
H
150
−15.176
−49.456
13.778
1.00
66.09
MOL3
C


ATOM
11470
O
LEU
H
150
−14.083
−49.450
13.220
1.00
63.47
MOL3
O


ATOM
11471
N
GLY
H
151
−16.259
−49.998
13.244
1.00
65.92
MOL3
N


ATOM
11472
CA
GLY
H
151
−16.160
−50.668
11.968
1.00
70.49
MOL3
C


ATOM
11473
C
GLY
H
151
−17.302
−50.392
11.021
1.00
71.85
MOL3
C


ATOM
11474
O
GLY
H
151
−18.281
−49.731
11.361
1.00
73.68
MOL3
O


ATOM
11475
N
CYS
H
152
−17.176
−50.942
9.823
1.00
72.23
MOL3
N


ATOM
11476
CA
CYS
H
152
−18.170
−50.746
8.788
1.00
73.94
MOL3
C


ATOM
11477
C
CYS
H
152
−18.171
−51.956
7.841
1.00
67.77
MOL3
C


ATOM
11478
O
CYS
H
152
−17.260
−52.119
7.043
1.00
61.88
MOL3
O


ATOM
11479
CB
CYS
H
152
−17.806
−49.464
8.042
1.00
77.20
MOL3
C


ATOM
11480
SG
CYS
H
152
−18.839
−49.053
6.611
1.00
89.22
MOL3
S


ATOM
11481
N
LEU
H
153
−19.192
−52.802
7.933
1.00
64.17
MOL3
N


ATOM
11482
CA
LEU
H
153
−19.256
−53.985
7.085
1.00
62.43
MOL3
C


ATOM
11483
CB
LEU
H
153
−19.968
−55.131
7.799
1.00
67.70
MOL3
C


ATOM
11484
CG
LEU
H
153
−20.023
−56.468
7.047
1.00
69.14
MOL3
C


ATOM
11485
CD1
LEU
H
153
−18.611
−56.889
6.620
1.00
66.63
MOL3
C


ATOM
11486
CD2
LEU
H
153
−20.651
−57.528
7.947
1.00
67.24
MOL3
C


ATOM
11487
C
LEU
H
153
−19.989
−53.706
5.803
1.00
61.32
MOL3
C


ATOM
11488
O
LEU
H
153
−21.132
−53.258
5.832
1.00
66.08
MOL3
O


ATOM
11489
N
VAL
H
154
−19.325
−53.984
4.683
1.00
56.07
MOL3
N


ATOM
11490
CA
VAL
H
154
−19.893
−53.792
3.348
1.00
51.90
MOL3
C


ATOM
11491
CB
VAL
H
154
−18.903
−53.087
2.413
1.00
49.28
MOL3
C


ATOM
11492
CG1
VAL
H
154
−19.519
−52.892
1.049
1.00
46.64
MOL3
C


ATOM
11493
CG2
VAL
H
154
−18.506
−51.767
2.984
1.00
50.17
MOL3
C


ATOM
11494
C
VAL
H
154
−20.160
−55.174
2.770
1.00
55.96
MOL3
C


ATOM
11495
O
VAL
H
154
−19.257
−55.819
2.240
1.00
54.62
MOL3
O


ATOM
11496
N
LYS
H
155
−21.403
−55.624
2.853
1.00
61.21
MOL3
N


ATOM
11497
CA
LYS
H
155
−21.742
−56.954
2.378
1.00
59.99
MOL3
C


ATOM
11498
CB
LYS
H
155
−22.627
−57.658
3.412
1.00
60.96
MOL3
C


ATOM
11499
CG
LYS
H
155
−22.704
−59.164
3.253
1.00
70.31
MOL3
C


ATOM
11500
CD
LYS
H
155
−23.715
−59.782
4.205
1.00
75.62
MOL3
C


ATOM
11501
CE
LYS
H
155
−23.523
−61.286
4.285
1.00
78.29
MOL3
C


ATOM
11502
NZ
LYS
H
155
−22.140
−61.628
4.748
1.00
76.71
MOL3
N


ATOM
11503
C
LYS
H
155
−22.408
−57.020
1.012
1.00
60.38
MOL3
C


ATOM
11504
O
LYS
H
155
−22.966
−56.040
0.508
1.00
53.20
MOL3
O


ATOM
11505
N
GLY
H
156
−22.309
−58.212
0.433
1.00
66.29
MOL3
N


ATOM
11506
CA
GLY
H
156
−22.888
−58.542
−0.855
1.00
70.93
MOL3
C


ATOM
11507
C
GLY
H
156
−22.985
−57.510
−1.963
1.00
73.35
MOL3
C


ATOM
11508
O
GLY
H
156
−24.077
−57.019
−2.270
1.00
77.12
MOL3
O


ATOM
11509
N
TYR
H
157
−21.853
−57.187
−2.577
1.00
70.56
MOL3
N


ATOM
11510
CA
TYR
H
157
−21.847
−56.244
−3.687
1.00
66.66
MOL3
C


ATOM
11511
CB
TYR
H
157
−21.221
−54.916
−3.296
1.00
63.22
MOL3
C


ATOM
11512
CG
TYR
H
157
−19.734
−54.992
−3.142
1.00
60.83
MOL3
C


ATOM
11513
CD1
TYR
H
157
−19.166
−55.498
−1.988
1.00
60.30
MOL3
C


ATOM
11514
CE1
TYR
H
157
−17.799
−55.579
−1.846
1.00
57.35
MOL3
C


ATOM
11515
CD2
TYR
H
157
−18.891
−54.571
−4.156
1.00
59.48
MOL3
C


ATOM
11516
CE2
TYR
H
157
−17.522
−54.652
−4.019
1.00
56.34
MOL3
C


ATOM
11517
CZ
TYR
H
157
−16.989
−55.155
−2.862
1.00
51.94
MOL3
C


ATOM
11518
OH
TYR
H
157
−15.638
−55.227
−2.706
1.00
57.08
MOL3
O


ATOM
11519
C
TYR
H
157
−21.035
−56.846
−4.821
1.00
67.40
MOL3
C


ATOM
11520
O
TYR
H
157
−20.214
−57.741
−4.609
1.00
65.47
MOL3
O


ATOM
11521
N
PHE
H
158
−21.265
−56.345
−6.028
1.00
70.19
MOL3
N


ATOM
11522
CA
PHE
H
158
−20.562
−56.839
−7.205
1.00
74.83
MOL3
C


ATOM
11523
CB
PHE
H
158
−21.124
−58.190
−7.631
1.00
71.48
MOL3
C


ATOM
11524
CG
PHE
H
158
−20.255
−58.940
−8.597
1.00
72.68
MOL3
C


ATOM
11525
CD1
PHE
H
158
−19.269
−59.804
−8.138
1.00
74.53
MOL3
C


ATOM
11526
CD2
PHE
H
158
−20.453
−58.823
−9.962
1.00
72.90
MOL3
C


ATOM
11527
CE1
PHE
H
158
−18.500
−60.546
−9.024
1.00
73.17
MOL3
C


ATOM
11528
CE2
PHE
H
158
−19.689
−59.559
−10.853
1.00
76.21
MOL3
C


ATOM
11529
CZ
PHE
H
158
−18.713
−60.423
−10.383
1.00
75.38
MOL3
C


ATOM
11530
C
PHE
H
158
−20.733
−55.855
−8.353
1.00
79.34
MOL3
C


ATOM
11531
O
PHE
H
158
−21.811
−55.278
−8.533
1.00
83.42
MOL3
O


ATOM
11532
N
PRO
H
159
−19.658
−55.637
−9.134
1.00
79.37
MOL3
N


ATOM
11533
CD
PRO
H
159
−19.671
−55.048
−10.487
1.00
75.33
MOL3
C


ATOM
11534
CA
PRO
H
159
−18.378
−56.304
−8.897
1.00
77.27
MOL3
C


ATOM
11535
CB
PRO
H
159
−17.912
−56.619
−10.301
1.00
70.82
MOL3
C


ATOM
11536
CG
PRO
H
159
−18.262
−55.354
−10.999
1.00
71.69
MOL3
C


ATOM
11537
C
PRO
H
159
−17.418
−55.350
−8.203
1.00
77.61
MOL3
C


ATOM
11538
O
PRO
H
159
−17.813
−54.276
−7.742
1.00
76.98
MOL3
O


ATOM
11539
N
GLU
H
160
−16.154
−55.747
−8.129
1.00
76.69
MOL3
N


ATOM
11540
CA
GLU
H
160
−15.153
−54.899
−7.523
1.00
79.57
MOL3
C


ATOM
11541
CB
GLU
H
160
−13.816
−55.640
−7.470
1.00
75.33
MOL3
C


ATOM
11542
CG
GLU
H
160
−13.705
−56.694
−6.357
1.00
80.58
MOL3
C


ATOM
11543
CD
GLU
H
160
−13.011
−56.177
−5.078
1.00
90.70
MOL3
C


ATOM
11544
OE1
GLU
H
160
−13.417
−55.118
−4.537
1.00
89.63
MOL3
O


ATOM
11545
OE2
GLU
H
160
−12.055
−56.841
−4.607
1.00
90.40
MOL3
O


ATOM
11546
C
GLU
H
160
−15.065
−53.677
−8.433
1.00
83.98
MOL3
C


ATOM
11547
O
GLU
H
160
−15.395
−53.757
−9.614
1.00
91.30
MOL3
O


ATOM
11548
N
PRO
H
161
−14.652
−52.524
−7.893
1.00
84.34
MOL3
N


ATOM
11549
CD
PRO
H
161
−13.856
−51.590
−8.710
1.00
81.86
MOL3
C


ATOM
11550
CA
PRO
H
161
−14.292
−52.377
−6.487
1.00
84.58
MOL3
C


ATOM
11551
CB
PRO
H
161
−12.863
−51.880
−6.568
1.00
82.05
MOL3
C


ATOM
11552
CG
PRO
H
161
−12.966
−50.900
−7.671
1.00
80.99
MOL3
C


ATOM
11553
C
PRO
H
161
−15.195
−51.383
−5.774
1.00
85.92
MOL3
C


ATOM
11554
O
PRO
H
161
−15.965
−50.641
−6.398
1.00
89.34
MOL3
O


ATOM
11555
N
VAL
H
162
−15.090
−51.382
−4.455
1.00
82.39
MOL3
N


ATOM
11556
CA
VAL
H
162
−15.858
−50.475
−3.642
1.00
78.67
MOL3
C


ATOM
11557
CB
VAL
H
162
−16.607
−51.238
−2.558
1.00
74.90
MOL3
C


ATOM
11558
CG1
VAL
H
162
−15.645
−52.113
−1.794
1.00
72.98
MOL3
C


ATOM
11559
CG2
VAL
H
162
−17.295
−50.272
−1.636
1.00
79.19
MOL3
C


ATOM
11560
C
VAL
H
162
−14.808
−49.579
−3.017
1.00
77.99
MOL3
C


ATOM
11561
O
VAL
H
162
−13.655
−49.979
−2.863
1.00
72.49
MOL3
O


ATOM
11562
N
THR
H
163
−15.178
−48.354
−2.693
1.00
80.25
MOL3
N


ATOM
11563
CA
THR
H
163
−14.214
−47.474
−2.070
1.00
82.23
MOL3
C


ATOM
11564
CB
THR
H
163
−13.816
−46.332
−3.017
1.00
86.16
MOL3
C


ATOM
11565
OG1
THR
H
163
−12.847
−46.830
−3.954
1.00
77.67
MOL3
O


ATOM
11566
CG2
THR
H
163
−13.230
−45.153
−2.240
1.00
89.23
MOL3
C


ATOM
11567
C
THR
H
163
−14.761
−46.976
−0.743
1.00
83.40
MOL3
C


ATOM
11568
O
THR
H
163
−15.849
−46.384
−0.658
1.00
86.29
MOL3
O


ATOM
11569
N
VAL
H
164
−13.993
−47.261
0.300
1.00
78.21
MOL3
N


ATOM
11570
CA
VAL
H
164
−14.364
−46.918
1.657
1.00
80.05
MOL3
C


ATOM
11571
CB
VAL
H
164
−14.114
−48.113
2.575
1.00
78.14
MOL3
C


ATOM
11572
CG1
VAL
H
164
−14.808
−47.911
3.914
1.00
76.92
MOL3
C


ATOM
11573
CG2
VAL
H
164
−14.579
−49.374
1.892
1.00
77.40
MOL3
C


ATOM
11574
C
VAL
H
164
−13.541
−45.762
2.169
1.00
82.24
MOL3
C


ATOM
11575
O
VAL
H
164
−12.367
−45.641
1.834
1.00
83.12
MOL3
O


ATOM
11576
N
THR
H
165
−14.149
−44.940
3.017
1.00
82.62
MOL3
N


ATOM
11577
CA
THR
H
165
−13.470
−43.786
3.566
1.00
79.38
MOL3
C


ATOM
11578
CB
THR
H
165
−13.472
−42.684
2.518
1.00
76.55
MOL3
C


ATOM
11579
OG1
THR
H
165
−12.133
−42.467
2.063
1.00
74.39
MOL3
O


ATOM
11580
CG2
THR
H
165
−14.068
−41.420
3.067
1.00
80.32
MOL3
C


ATOM
11581
C
THR
H
165
−14.174
−43.334
4.835
1.00
82.23
MOL3
C


ATOM
11582
O
THR
H
165
−15.369
−43.590
5.006
1.00
92.20
MOL3
O


ATOM
11583
N
TRP
H
166
−13.446
−42.676
5.730
1.00
78.45
MOL3
N


ATOM
11584
CA
TRP
H
166
−14.053
−42.227
6.974
1.00
83.57
MOL3
C


ATOM
11585
CB
TRP
H
166
−13.297
−42.835
8.154
1.00
75.83
MOL3
C


ATOM
11586
CG
TRP
H
166
−13.359
−44.331
8.178
1.00
61.73
MOL3
C


ATOM
11587
CD2
TRP
H
166
−14.374
−45.129
8.786
1.00
53.21
MOL3
C


ATOM
11588
CE2
TRP
H
166
−14.078
−46.473
8.497
1.00
50.56
MOL3
C


ATOM
11589
CE3
TRP
H
166
−15.509
−44.835
9.540
1.00
57.81
MOL3
C


ATOM
11590
CD1
TRP
H
166
−12.507
−45.196
7.565
1.00
56.26
MOL3
C


ATOM
11591
NE1
TRP
H
166
−12.933
−46.489
7.750
1.00
49.49
MOL3
N


ATOM
11592
CZ2
TRP
H
166
−14.871
−47.524
8.936
1.00
62.55
MOL3
C


ATOM
11593
CZ3
TRP
H
166
−16.303
−45.881
9.977
1.00
67.42
MOL3
C


ATOM
11594
CH2
TRP
H
166
−15.981
−47.211
9.674
1.00
69.04
MOL3
C


ATOM
11595
C
TRP
H
166
−14.110
−40.707
7.103
1.00
90.73
MOL3
C


ATOM
11596
O
TRP
H
166
−13.101
−40.024
6.953
1.00
90.08
MOL3
O


ATOM
11597
N
ASN
H
167
−15.299
−40.182
7.387
1.00
100.29
MOL3
N


ATOM
11598
CA
ASN
H
167
−15.482
−38.739
7.523
1.00
103.08
MOL3
C


ATOM
11599
CB
ASN
H
167
−14.688
−38.216
8.717
1.00
104.70
MOL3
C


ATOM
11600
CG
ASN
H
167
−15.454
−38.331
10.018
1.00
110.34
MOL3
C


ATOM
11601
OD1
ASN
H
167
−16.057
−39.366
10.309
1.00
114.18
MOL3
O


ATOM
11602
ND2
ASN
H
167
−15.431
−37.266
10.815
1.00
114.51
MOL3
N


ATOM
11603
C
ASN
H
167
−15.037
−38.025
6.261
1.00
101.78
MOL3
C


ATOM
11604
O
ASN
H
167
−14.484
−36.930
6.315
1.00
99.40
MOL3
O


ATOM
11605
N
SER
H
168
−15.267
−38.678
5.130
1.00
102.77
MOL3
N


ATOM
11606
CA
SER
H
168
−14.933
−38.133
3.828
1.00
105.60
MOL3
C


ATOM
11607
CB
SER
H
168
−15.753
−36.865
3.595
1.00
108.93
MOL3
C


ATOM
11608
OG
SER
H
168
−17.060
−37.011
4.130
1.00
112.36
MOL3
O


ATOM
11609
C
SER
H
168
−13.448
−37.825
3.656
1.00
105.78
MOL3
C


ATOM
11610
O
SER
H
168
−13.057
−37.168
2.695
1.00
107.78
MOL3
O


ATOM
11611
N
GLY
H
169
−12.621
−38.293
4.582
1.00
105.25
MOL3
N


ATOM
11612
CA
GLY
H
169
−11.197
−38.041
4.468
1.00
104.83
MOL3
C


ATOM
11613
C
GLY
H
169
−10.615
−37.471
5.740
1.00
106.28
MOL3
C


ATOM
11614
O
GLY
H
169
−9.393
−37.402
5.897
1.00
103.08
MOL3
O


ATOM
11615
N
SER
H
170
−11.495
−37.060
6.650
1.00
107.77
MOL3
N


ATOM
11616
CA
SER
H
170
−11.064
−36.497
7.924
1.00
111.76
MOL3
C


ATOM
11617
CB
SER
H
170
−12.291
−36.111
8.768
1.00
114.37
MOL3
C


ATOM
11618
OG
SER
H
170
−11.929
−35.539
10.020
1.00
113.88
MOL3
O


ATOM
11619
C
SER
H
170
−10.186
−37.510
8.676
1.00
112.11
MOL3
C


ATOM
11620
O
SER
H
170
−9.178
−37.145
9.287
1.00
113.84
MOL3
O


ATOM
11621
N
LEU
H
171
−10.565
−38.783
8.618
1.00
108.77
MOL3
N


ATOM
11622
CA
LEU
H
171
−9.811
−39.833
9.289
1.00
103.21
MOL3
C


ATOM
11623
CB
LEU
H
171
−10.746
−40.733
10.098
1.00
100.76
MOL3
C


ATOM
11624
CG
LEU
H
171
−11.514
−40.137
11.281
1.00
97.25
MOL3
C


ATOM
11625
CD1
LEU
H
171
−12.388
−38.985
10.826
1.00
95.97
MOL3
C


ATOM
11626
CD2
LEU
H
171
−12.369
−41.218
11.909
1.00
94.50
MOL3
C


ATOM
11627
C
LEU
H
171
−9.070
−40.670
8.262
1.00
102.49
MOL3
C


ATOM
11628
O
LEU
H
171
−9.686
−41.390
7.478
1.00
103.13
MOL3
O


ATOM
11629
N
SER
H
172
−7.747
−40.573
8.269
1.00
103.04
MOL3
N


ATOM
11630
CA
SER
H
172
−6.919
−41.320
7.327
1.00
104.87
MOL3
C


ATOM
11631
CB
SER
H
172
−6.076
−40.361
6.487
1.00
106.36
MOL3
C


ATOM
11632
OG
SER
H
172
−5.095
−39.713
7.284
1.00
107.12
MOL3
O


ATOM
11633
C
SER
H
172
−5.986
−42.257
8.068
1.00
105.79
MOL3
C


ATOM
11634
O
SER
H
172
−5.656
−43.336
7.581
1.00
106.18
MOL3
O


ATOM
11635
N
SER
H
173
−5.556
−41.822
9.247
1.00
107.31
MOL3
N


ATOM
11636
CA
SER
H
173
−4.646
−42.595
10.081
1.00
104.81
MOL3
C


ATOM
11637
CB
SER
H
173
−3.729
−41.646
10.866
1.00
105.83
MOL3
C


ATOM
11638
OG
SER
H
173
−4.461
−40.605
11.499
1.00
98.57
MOL3
O


ATOM
11639
C
SER
H
173
−5.407
−43.495
11.038
1.00
102.90
MOL3
C


ATOM
11640
O
SER
H
173
−6.477
−43.128
11.525
1.00
104.60
MOL3
O


ATOM
11641
N
GLY
H
174
−4.853
−44.674
11.303
1.00
98.71
MOL3
N


ATOM
11642
CA
GLY
H
174
−5.500
−45.602
12.214
1.00
97.65
MOL3
C


ATOM
11643
C
GLY
H
174
−6.699
−46.262
11.569
1.00
94.80
MOL3
C


ATOM
11644
O
GLY
H
174
−7.621
−46.721
12.247
1.00
95.87
MOL3
O


ATOM
11645
N
VAL
H
175
−6.674
−46.311
10.243
1.00
90.26
MOL3
N


ATOM
11646
CA
VAL
H
175
−7.754
−46.900
9.461
1.00
85.11
MOL3
C


ATOM
11647
CB
VAL
H
175
−8.243
−45.928
8.358
1.00
82.39
MOL3
C


ATOM
11648
CG1
VAL
H
175
−9.044
−46.689
7.310
1.00
76.61
MOL3
C


ATOM
11649
CG2
VAL
H
175
−9.077
−44.813
8.971
1.00
80.37
MOL3
C


ATOM
11650
C
VAL
H
175
−7.284
−48.159
8.762
1.00
81.26
MOL3
C


ATOM
11651
O
VAL
H
175
−6.206
−48.173
8.173
1.00
83.63
MOL3
O


ATOM
11652
N
HIS
H
176
−8.094
−49.210
8.821
1.00
76.09
MOL3
N


ATOM
11653
CA
HIS
H
176
−7.762
−50.467
8.158
1.00
68.75
MOL3
C


ATOM
11654
CB
HIS
H
176
−7.401
−51.553
9.173
1.00
71.27
MOL3
C


ATOM
11655
CG
HIS
H
176
−5.962
−51.564
9.588
1.00
71.42
MOL3
C


ATOM
11656
CD2
HIS
H
176
−5.390
−51.538
10.816
1.00
67.95
MOL3
C


ATOM
11657
ND1
HIS
H
176
−4.927
−51.688
8.685
1.00
74.70
MOL3
N


ATOM
11658
CE1
HIS
H
176
−3.780
−51.743
9.341
1.00
77.04
MOL3
C


ATOM
11659
NE2
HIS
H
176
−4.034
−51.656
10.635
1.00
69.41
MOL3
N


ATOM
11660
C
HIS
H
176
−8.952
−50.951
7.351
1.00
64.01
MOL3
C


ATOM
11661
O
HIS
H
176
−9.948
−51.410
7.910
1.00
65.62
MOL3
O


ATOM
11662
N
THR
H
177
−8.872
−50.825
6.038
1.00
56.48
MOL3
N


ATOM
11663
CA
THR
H
177
−9.958
−51.311
5.211
1.00
52.80
MOL3
C


ATOM
11664
CB
THR
H
177
−10.441
−50.265
4.177
1.00
52.89
MOL3
C


ATOM
11665
OG1
THR
H
177
−10.646
−50.920
2.923
1.00
55.66
MOL3
O


ATOM
11666
CG2
THR
H
177
−9.444
−49.110
4.027
1.00
56.20
MOL3
C


ATOM
11667
C
THR
H
177
−9.420
−52.564
4.539
1.00
47.84
MOL3
C


ATOM
11668
O
THR
H
177
−8.528
−52.516
3.704
1.00
44.37
MOL3
O


ATOM
11669
N
PHE
H
178
−9.966
−53.700
4.942
1.00
49.87
MOL3
N


ATOM
11670
CA
PHE
H
178
−9.516
−54.994
4.453
1.00
50.15
MOL3
C


ATOM
11671
CB
PHE
H
178
−9.950
−56.083
5.425
1.00
51.36
MOL3
C


ATOM
11672
CG
PHE
H
178
−9.513
−55.833
6.833
1.00
50.93
MOL3
C


ATOM
11673
CD1
PHE
H
178
−8.462
−56.540
7.381
1.00
50.19
MOL3
C


ATOM
11674
CD2
PHE
H
178
−10.120
−54.849
7.591
1.00
49.49
MOL3
C


ATOM
11675
CE1
PHE
H
178
−8.022
−56.270
8.652
1.00
49.58
MOL3
C


ATOM
11676
CE2
PHE
H
178
−9.683
−54.574
8.861
1.00
51.26
MOL3
C


ATOM
11677
CZ
PHE
H
178
−8.631
−55.285
9.393
1.00
52.32
MOL3
C


ATOM
11678
C
PHE
H
178
−9.953
−55.375
3.061
1.00
54.56
MOL3
C


ATOM
11679
O
PHE
H
178
−10.897
−54.821
2.505
1.00
64.25
MOL3
O


ATOM
11680
N
PRO
H
179
−9.251
−56.342
2.472
1.00
55.68
MOL3
N


ATOM
11681
CD
PRO
H
179
−8.011
−56.902
3.031
1.00
57.16
MOL3
C


ATOM
11682
CA
PRO
H
179
−9.494
−56.872
1.132
1.00
58.45
MOL3
C


ATOM
11683
CB
PRO
H
179
−8.380
−57.903
0.959
1.00
53.58
MOL3
C


ATOM
11684
CG
PRO
H
179
−7.286
−57.362
1.781
1.00
55.46
MOL3
C


ATOM
11685
C
PRO
H
179
−10.851
−57.535
1.043
1.00
63.31
MOL3
C


ATOM
11686
O
PRO
H
179
−11.238
−58.285
1.935
1.00
60.56
MOL3
O


ATOM
11687
N
ALA
H
180
−11.572
−57.269
−0.038
1.00
70.63
MOL3
N


ATOM
11688
CA
ALA
H
180
−12.874
−57.889
−0.222
1.00
71.32
MOL3
C


ATOM
11689
CB
ALA
H
180
−13.559
−57.322
−1.456
1.00
74.52
MOL3
C


ATOM
11690
C
ALA
H
180
−12.656
−59.387
−0.386
1.00
67.08
MOL3
C


ATOM
11691
O
ALA
H
180
−11.623
−59.827
−0.881
1.00
62.03
MOL3
O


ATOM
11692
N
VAL
H
181
−13.634
−60.166
0.039
1.00
67.73
MOL3
N


ATOM
11693
CA
VAL
H
181
−13.546
−61.607
−0.064
1.00
71.50
MOL3
C


ATOM
11694
CB
VAL
H
181
−13.481
−62.232
1.311
1.00
67.32
MOL3
C


ATOM
11695
CG1
VAL
H
181
−14.678
−61.799
2.120
1.00
70.09
MOL3
C


ATOM
11696
CG2
VAL
H
181
−13.442
−63.728
1.183
1.00
73.32
MOL3
C


ATOM
11697
C
VAL
H
181
−14.793
−62.109
−0.772
1.00
75.39
MOL3
C


ATOM
11698
O
VAL
H
181
−15.853
−61.510
−0.652
1.00
74.98
MOL3
O


ATOM
11699
N
LEU
H
182
−14.673
−63.210
−1.506
1.00
84.53
MOL3
N


ATOM
11700
CA
LEU
H
182
−15.817
−63.741
−2.239
1.00
93.08
MOL3
C


ATOM
11701
CB
LEU
H
182
−15.357
−64.531
−3.459
1.00
95.26
MOL3
C


ATOM
11702
CG
LEU
H
182
−16.452
−64.746
−4.503
1.00
94.65
MOL3
C


ATOM
11703
CD1
LEU
H
182
−16.926
−63.403
−5.030
1.00
87.89
MOL3
C


ATOM
11704
CD2
LEU
H
182
−15.907
−65.600
−5.638
1.00
99.72
MOL3
C


ATOM
11705
C
LEU
H
182
−16.718
−64.621
−1.394
1.00
98.95
MOL3
C


ATOM
11706
O
LEU
H
182
−16.340
−65.727
−1.011
1.00
100.71
MOL3
O


ATOM
11707
N
GLN
H
183
−17.919
−64.120
−1.119
1.00
104.61
MOL3
N


ATOM
11708
CA
GLN
H
183
−18.902
−64.845
−0.323
1.00
109.98
MOL3
C


ATOM
11709
CB
GLN
H
183
−19.488
−63.922
0.745
1.00
115.13
MOL3
C


ATOM
11710
CG
GLN
H
183
−20.405
−64.612
1.739
1.00
123.91
MOL3
C


ATOM
11711
CD
GLN
H
183
−20.898
−63.669
2.828
1.00
127.70
MOL3
C


ATOM
11712
OE1
GLN
H
183
−20.125
−63.205
3.670
1.00
127.00
MOL3
O


ATOM
11713
NE2
GLN
H
183
−22.193
−63.378
2.810
1.00
131.46
MOL3
N


ATOM
11714
C
GLN
H
183
−20.009
−65.357
−1.239
1.00
111.46
MOL3
C


ATOM
11715
O
GLN
H
183
−21.092
−64.765
−1.333
1.00
107.91
MOL3
O


ATOM
11716
N
SER
H
184
−19.718
−66.463
−1.916
1.00
113.64
MOL3
N


ATOM
11717
CA
SER
H
184
−20.659
−67.076
−2.843
1.00
112.70
MOL3
C


ATOM
11718
CB
SER
H
184
−21.845
−67.672
−2.082
1.00
119.48
MOL3
C


ATOM
11719
OG
SER
H
184
−21.434
−68.782
−1.297
1.00
125.71
MOL3
O


ATOM
11720
C
SER
H
184
−21.151
−66.077
−3.880
1.00
107.75
MOL3
C


ATOM
11721
O
SER
H
184
−22.170
−65.407
−3.694
1.00
99.42
MOL3
O


ATOM
11722
N
ASP
H
185
−20.393
−65.974
−4.964
1.00
106.74
MOL3
N


ATOM
11723
CA
ASP
H
185
−20.723
−65.089
−6.068
1.00
104.66
MOL3
C


ATOM
11724
CB
ASP
H
185
−21.941
−65.628
−6.812
1.00
113.67
MOL3
C


ATOM
11725
CG
ASP
H
185
−21.725
−67.025
−7.340
1.00
121.58
MOL3
C


ATOM
11726
OD1
ASP
H
185
−20.920
−67.186
−8.287
1.00
122.38
MOL3
O


ATOM
11727
OD2
ASP
H
185
−22.361
−67.958
−6.798
1.00
126.77
MOL3
O


ATOM
11728
C
ASP
H
185
−21.015
−63.662
−5.650
1.00
99.48
MOL3
C


ATOM
11729
O
ASP
H
185
−21.866
−63.016
−6.251
1.00
97.47
MOL3
O


ATOM
11730
N
LEU
H
186
−20.336
−63.175
−4.618
1.00
93.59
MOL3
N


ATOM
11731
CA
LEU
H
186
−20.533
−61.802
−4.168
1.00
84.79
MOL3
C


ATOM
11732
CB
LEU
H
186
−21.903
−61.626
−3.510
1.00
82.33
MOL3
C


ATOM
11733
CG
LEU
H
186
−22.955
−61.244
−4.557
1.00
77.08
MOL3
C


ATOM
11734
CD1
LEU
H
186
−24.166
−60.555
−3.938
1.00
73.45
MOL3
C


ATOM
11735
CD2
LEU
H
186
−22.288
−60.319
−5.540
1.00
73.17
MOL3
C


ATOM
11736
C
LEU
H
186
−19.431
−61.343
−3.234
1.00
81.42
MOL3
C


ATOM
11737
O
LEU
H
186
−18.911
−62.124
−2.435
1.00
78.72
MOL3
O


ATOM
11738
N
TYR
H
187
−19.073
−60.069
−3.347
1.00
76.82
MOL3
N


ATOM
11739
CA
TYR
H
187
−18.006
−59.521
−2.531
1.00
75.32
MOL3
C


ATOM
11740
CB
TYR
H
187
−17.208
−58.501
−3.338
1.00
74.97
MOL3
C


ATOM
11741
CG
TYR
H
187
−16.436
−59.113
−4.485
1.00
80.55
MOL3
C


ATOM
11742
CD1
TYR
H
187
−15.559
−60.170
−4.278
1.00
81.09
MOL3
C


ATOM
11743
CE1
TYR
H
187
−14.826
−60.716
−5.334
1.00
83.98
MOL3
C


ATOM
11744
CD2
TYR
H
187
−16.564
−58.617
−5.773
1.00
88.64
MOL3
C


ATOM
11745
CE2
TYR
H
187
−15.833
−59.154
−6.834
1.00
90.45
MOL3
C


ATOM
11746
CZ
TYR
H
187
−14.967
−60.199
−6.608
1.00
86.86
MOL3
C


ATOM
11747
OH
TYR
H
187
−14.239
−60.705
−7.663
1.00
83.28
MOL3
O


ATOM
11748
C
TYR
H
187
−18.456
−58.910
−1.213
1.00
72.95
MOL3
C


ATOM
11749
O
TYR
H
187
−19.469
−58.219
−1.139
1.00
73.00
MOL3
O


ATOM
11750
N
THR
H
188
−17.687
−59.190
−0.170
1.00
70.13
MOL3
N


ATOM
11751
CA
THR
H
188
−17.957
−58.678
1.159
1.00
69.86
MOL3
C


ATOM
11752
CB
THR
H
188
−18.489
−59.749
2.095
1.00
71.98
MOL3
C


ATOM
11753
OG1
THR
H
188
−19.758
−60.210
1.626
1.00
81.84
MOL3
O


ATOM
11754
CG2
THR
H
188
−18.627
−59.190
3.500
1.00
71.01
MOL3
C


ATOM
11755
C
THR
H
188
−16.653
−58.216
1.755
1.00
71.41
MOL3
C


ATOM
11756
O
THR
H
188
−15.665
−58.946
1.742
1.00
72.76
MOL3
O


ATOM
11757
N
LEU
H
189
−16.637
−56.999
2.274
1.00
72.91
MOL3
N


ATOM
11758
CA
LEU
H
189
−15.428
−56.497
2.901
1.00
69.76
MOL3
C


ATOM
11759
CB
LEU
H
189
−14.557
−55.728
1.897
1.00
71.14
MOL3
C


ATOM
11760
CG
LEU
H
189
−14.614
−54.206
1.799
1.00
70.24
MOL3
C


ATOM
11761
CD1
LEU
H
189
−13.453
−53.742
0.963
1.00
68.48
MOL3
C


ATOM
11762
CD2
LEU
H
189
−15.911
−53.755
1.185
1.00
73.49
MOL3
C


ATOM
11763
C
LEU
H
189
−15.781
−55.637
4.106
1.00
65.92
MOL3
C


ATOM
11764
O
LEU
H
189
−16.892
−55.114
4.230
1.00
62.95
MOL3
O


ATOM
11765
N
SER
H
190
−14.825
−55.522
5.009
1.00
64.50
MOL3
N


ATOM
11766
CA
SER
H
190
−15.016
−54.763
6.223
1.00
65.87
MOL3
C


ATOM
11767
CB
SER
H
190
−14.978
−55.728
7.401
1.00
67.18
MOL3
C


ATOM
11768
OG
SER
H
190
−14.049
−56.766
7.139
1.00
69.18
MOL3
O


ATOM
11769
C
SER
H
190
−13.930
−53.706
6.364
1.00
63.60
MOL3
C


ATOM
11770
O
SER
H
190
−12.930
−53.740
5.658
1.00
59.51
MOL3
O


ATOM
11771
N
SER
H
191
−14.138
−52.746
7.255
1.00
62.63
MOL3
N


ATOM
11772
CA
SER
H
191
−13.134
−51.720
7.478
1.00
61.36
MOL3
C


ATOM
11773
CB
SER
H
191
−13.231
−50.600
6.447
1.00
60.89
MOL3
C


ATOM
11774
OG
SER
H
191
−12.151
−49.692
6.610
1.00
57.18
MOL3
O


ATOM
11775
C
SER
H
191
−13.259
−51.145
8.868
1.00
63.38
MOL3
C


ATOM
11776
O
SER
H
191
−14.319
−50.661
9.269
1.00
66.85
MOL3
O


ATOM
11777
N
SER
H
192
−12.157
−51.214
9.601
1.00
62.58
MOL3
N


ATOM
11778
CA
SER
H
192
−12.105
−50.725
10.966
1.00
65.54
MOL3
C


ATOM
11779
CB
SER
H
192
−11.263
−51.656
11.839
1.00
67.43
MOL3
C


ATOM
11780
OG
SER
H
192
−9.880
−51.322
11.768
1.00
65.40
MOL3
O


ATOM
11781
C
SER
H
192
−11.463
−49.358
11.011
1.00
66.13
MOL3
C


ATOM
11782
O
SER
H
192
−10.750
−48.959
10.093
1.00
61.68
MOL3
O


ATOM
11783
N
VAL
H
193
−11.711
−48.654
12.105
1.00
66.29
MOL3
N


ATOM
11784
CA
VAL
H
193
−11.132
−47.347
12.308
1.00
66.18
MOL3
C


ATOM
11785
CB
VAL
H
193
−11.976
−46.253
11.634
1.00
59.00
MOL3
C


ATOM
11786
CG1
VAL
H
193
−13.341
−46.189
12.248
1.00
58.84
MOL3
C


ATOM
11787
CG2
VAL
H
193
−11.275
−44.930
11.743
1.00
56.17
MOL3
C


ATOM
11788
C
VAL
H
193
−11.028
−47.118
13.807
1.00
71.49
MOL3
C


ATOM
11789
O
VAL
H
193
−12.014
−47.234
14.537
1.00
74.28
MOL3
O


ATOM
11790
N
THR
H
194
−9.815
−46.834
14.266
1.00
75.90
MOL3
N


ATOM
11791
CA
THR
H
194
−9.570
−46.597
15.676
1.00
81.76
MOL3
C


ATOM
11792
CB
THR
H
194
−8.189
−47.107
16.078
1.00
85.55
MOL3
C


ATOM
11793
OG1
THR
H
194
−7.636
−47.885
15.008
1.00
91.67
MOL3
O


ATOM
11794
CG2
THR
H
194
−8.297
−47.973
17.321
1.00
90.42
MOL3
C


ATOM
11795
C
THR
H
194
−9.648
−45.105
15.964
1.00
84.06
MOL3
C


ATOM
11796
O
THR
H
194
−9.429
−44.275
15.082
1.00
83.35
MOL3
O


ATOM
11797
N
VAL
H
195
−9.963
−44.761
17.203
1.00
85.63
MOL3
N


ATOM
11798
CA
VAL
H
195
−10.060
−43.365
17.554
1.00
85.95
MOL3
C


ATOM
11799
CB
VAL
H
195
−11.229
−42.722
16.805
1.00
85.68
MOL3
C


ATOM
11800
CG1
VAL
H
195
−12.201
−42.093
17.778
1.00
93.53
MOL3
C


ATOM
11801
CG2
VAL
H
195
−10.685
−41.702
15.817
1.00
84.12
MOL3
C


ATOM
11802
C
VAL
H
195
−10.181
−43.173
19.059
1.00
86.70
MOL3
C


ATOM
11803
O
VAL
H
195
−10.650
−44.052
19.778
1.00
89.05
MOL3
O


ATOM
11804
N
PRO
H
196
−9.711
−42.028
19.556
1.00
85.09
MOL3
N


ATOM
11805
CD
PRO
H
196
−8.914
−41.053
18.792
1.00
81.74
MOL3
C


ATOM
11806
CA
PRO
H
196
−9.741
−41.684
20.975
1.00
87.98
MOL3
C


ATOM
11807
CB
PRO
H
196
−9.153
−40.283
20.979
1.00
89.01
MOL3
C


ATOM
11808
CG
PRO
H
196
−8.128
−40.370
19.868
1.00
81.01
MOL3
C


ATOM
11809
C
PRO
H
196
−11.137
−41.754
21.589
1.00
91.71
MOL3
C


ATOM
11810
O
PRO
H
196
−12.067
−41.134
21.090
1.00
87.25
MOL3
O


ATOM
11811
N
SER
H
197
−11.272
−42.510
22.677
1.00
99.52
MOL3
N


ATOM
11812
CA
SER
H
197
−12.560
−42.673
23.347
1.00
105.85
MOL3
C


ATOM
11813
CB
SER
H
197
−12.399
−43.573
24.583
1.00
109.81
MOL3
C


ATOM
11814
OG
SER
H
197
−11.381
−43.105
25.455
1.00
115.70
MOL3
O


ATOM
11815
C
SER
H
197
−13.215
−41.343
23.727
1.00
107.60
MOL3
C


ATOM
11816
O
SER
H
197
−14.435
−41.260
23.879
1.00
106.99
MOL3
O


ATOM
11817
N
SER
H
198
−12.400
−40.303
23.866
1.00
110.77
MOL3
N


ATOM
11818
CA
SER
H
198
−12.899
−38.978
24.212
1.00
114.47
MOL3
C


ATOM
11819
CB
SER
H
198
−11.738
−38.098
24.702
1.00
116.99
MOL3
C


ATOM
11820
OG
SER
H
198
−10.649
−38.104
23.787
1.00
113.97
MOL3
O


ATOM
11821
C
SER
H
198
−13.602
−38.310
23.024
1.00
115.10
MOL3
C


ATOM
11822
O
SER
H
198
−14.495
−37.478
23.210
1.00
115.84
MOL3
O


ATOM
11823
N
THR
H
199
−13.202
−38.678
21.807
1.00
114.41
MOL3
N


ATOM
11824
CA
THR
H
199
−13.794
−38.105
20.596
1.00
111.03
MOL3
C


ATOM
11825
CB
THR
H
199
−12.701
−37.820
19.509
1.00
111.21
MOL3
C


ATOM
11826
OG1
THR
H
199
−11.808
−38.936
19.401
1.00
109.25
MOL3
O


ATOM
11827
CG2
THR
H
199
−11.899
−36.573
19.869
1.00
108.67
MOL3
C


ATOM
11828
C
THR
H
199
−14.911
−38.974
20.001
1.00
107.63
MOL3
C


ATOM
11829
O
THR
H
199
−15.168
−38.949
18.795
1.00
103.69
MOL3
O


ATOM
11830
N
TRP
H
200
−15.588
−39.720
20.867
1.00
105.36
MOL3
N


ATOM
11831
CA
TRP
H
200
−16.668
−40.593
20.442
1.00
105.42
MOL3
C


ATOM
11832
CB
TRP
H
200
−16.075
−41.748
19.638
1.00
96.93
MOL3
C


ATOM
11833
CG
TRP
H
200
−17.042
−42.360
18.712
1.00
90.71
MOL3
C


ATOM
11834
CD2
TRP
H
200
−17.876
−43.490
18.973
1.00
85.74
MOL3
C


ATOM
11835
CE2
TRP
H
200
−18.730
−43.640
17.868
1.00
82.86
MOL3
C


ATOM
11836
CE3
TRP
H
200
−17.988
−44.386
20.038
1.00
83.28
MOL3
C


ATOM
11837
CD1
TRP
H
200
−17.402
−41.893
17.487
1.00
87.30
MOL3
C


ATOM
11838
NE1
TRP
H
200
−18.418
−42.653
16.971
1.00
81.12
MOL3
N


ATOM
11839
CZ2
TRP
H
200
−19.688
−44.647
17.798
1.00
81.11
MOL3
C


ATOM
11840
CZ3
TRP
H
200
−18.937
−45.383
19.966
1.00
80.41
MOL3
C


ATOM
11841
CH2
TRP
H
200
−19.776
−45.505
18.855
1.00
79.21
MOL3
C


ATOM
11842
C
TRP
H
200
−17.400
−41.125
21.679
1.00
112.10
MOL3
C


ATOM
11843
O
TRP
H
200
−16.761
−41.549
22.647
1.00
117.37
MOL3
O


ATOM
11844
N
PRO
H
201
−18.747
−41.110
21.669
1.00
115.94
MOL3
N


ATOM
11845
CD
PRO
H
201
−19.546
−41.871
22.643
1.00
119.58
MOL3
C


ATOM
11846
CA
PRO
H
201
−19.605
−40.629
20.580
1.00
115.85
MOL3
C


ATOM
11847
CB
PRO
H
201
−20.974
−41.219
20.918
1.00
116.63
MOL3
C


ATOM
11848
CG
PRO
H
201
−20.650
−42.406
21.773
1.00
119.92
MOL3
C


ATOM
11849
C
PRO
H
201
−19.663
−39.110
20.489
1.00
118.24
MOL3
C


ATOM
11850
O
PRO
H
201
−20.463
−38.567
19.728
1.00
117.69
MOL3
O


ATOM
11851
N
SER
H
202
−18.823
−38.431
21.268
1.00
122.15
MOL3
N


ATOM
11852
CA
SER
H
202
−18.779
−36.967
21.272
1.00
123.53
MOL3
C


ATOM
11853
CB
SER
H
202
−17.489
−36.472
21.945
1.00
127.01
MOL3
C


ATOM
11854
OG
SER
H
202
−16.332
−36.884
21.238
1.00
131.60
MOL3
O


ATOM
11855
C
SER
H
202
−18.886
−36.409
19.852
1.00
121.08
MOL3
C


ATOM
11856
O
SER
H
202
−19.941
−35.914
19.456
1.00
117.79
MOL3
O


ATOM
11857
N
GLU
H
203
−17.796
−36.485
19.094
1.00
121.18
MOL3
N


ATOM
11858
CA
GLU
H
203
−17.798
−36.009
17.718
1.00
123.42
MOL3
C


ATOM
11859
CB
GLU
H
203
−16.361
−35.814
17.220
1.00
122.49
MOL3
C


ATOM
11860
CG
GLU
H
203
−15.491
−34.967
18.151
1.00
124.92
MOL3
C


ATOM
11861
CD
GLU
H
203
−14.166
−34.537
17.521
1.00
127.78
MOL3
C


ATOM
11862
OE1
GLU
H
203
−13.260
−34.104
18.272
1.00
127.29
MOL3
O


ATOM
11863
OE2
GLU
H
203
−14.032
−34.618
16.279
1.00
125.44
MOL3
O


ATOM
11864
C
GLU
H
203
−18.517
−37.078
16.893
1.00
124.67
MOL3
C


ATOM
11865
O
GLU
H
203
−19.105
−38.000
17.461
1.00
126.60
MOL3
O


ATOM
11866
N
THR
H
204
−18.470
−36.970
15.567
1.00
124.07
MOL3
N


ATOM
11867
CA
THR
H
204
−19.149
−37.940
14.706
1.00
120.80
MOL3
C


ATOM
11868
CB
THR
H
204
−20.148
−37.250
13.752
1.00
123.11
MOL3
C


ATOM
11869
OG1
THR
H
204
−19.461
−36.838
12.560
1.00
121.90
MOL3
O


ATOM
11870
CG2
THR
H
204
−20.766
−36.019
14.418
1.00
126.15
MOL3
C


ATOM
11871
C
THR
H
204
−18.199
−38.740
13.826
1.00
115.81
MOL3
C


ATOM
11872
O
THR
H
204
−17.145
−38.251
13.422
1.00
115.78
MOL3
O


ATOM
11873
N
VAL
H
205
−18.589
−39.974
13.528
1.00
109.46
MOL3
N


ATOM
11874
CA
VAL
H
205
−17.804
−40.839
12.661
1.00
102.80
MOL3
C


ATOM
11875
CB
VAL
H
205
−17.070
−41.924
13.433
1.00
98.37
MOL3
C


ATOM
11876
CG1
VAL
H
205
−16.167
−42.689
12.492
1.00
94.03
MOL3
C


ATOM
11877
CG2
VAL
H
205
−16.271
−41.310
14.548
1.00
101.45
MOL3
C


ATOM
11878
C
VAL
H
205
−18.760
−41.507
11.691
1.00
103.28
MOL3
C


ATOM
11879
O
VAL
H
205
−19.759
−42.109
12.102
1.00
106.02
MOL3
O


ATOM
11880
N
THR
H
206
−18.461
−41.394
10.402
1.00
101.05
MOL3
N


ATOM
11881
CA
THR
H
206
−19.324
−41.978
9.385
1.00
98.75
MOL3
C


ATOM
11882
CB
THR
H
206
−20.147
−40.896
8.651
1.00
101.71
MOL3
C


ATOM
11883
OG1
THR
H
206
−20.732
−39.998
9.601
1.00
104.93
MOL3
O


ATOM
11884
CG2
THR
H
206
−21.261
−41.546
7.846
1.00
105.24
MOL3
C


ATOM
11885
C
THR
H
206
−18.558
−42.761
8.330
1.00
92.67
MOL3
C


ATOM
11886
O
THR
H
206
−17.455
−42.401
7.932
1.00
84.29
MOL3
O


ATOM
11887
N
CYS
H
207
−19.166
−43.843
7.876
1.00
90.17
MOL3
N


ATOM
11888
CA
CYS
H
207
−18.561
−44.670
6.863
1.00
85.84
MOL3
C


ATOM
11889
C
CYS
H
207
−18.945
−44.075
5.523
1.00
87.41
MOL3
C


ATOM
11890
O
CYS
H
207
−20.063
−43.574
5.358
1.00
93.47
MOL3
O


ATOM
11891
CB
CYS
H
207
−19.093
−46.079
6.974
1.00
84.82
MOL3
C


ATOM
11892
SG
CYS
H
207
−18.122
−47.253
6.011
1.00
91.88
MOL3
S


ATOM
11893
N
ASN
H
208
−18.022
−44.124
4.568
1.00
83.21
MOL3
N


ATOM
11894
CA
ASN
H
208
−18.252
−43.571
3.229
1.00
81.80
MOL3
C


ATOM
11895
CB
ASN
H
208
−17.236
−42.461
2.910
1.00
77.24
MOL3
C


ATOM
11896
CG
ASN
H
208
−17.573
−41.133
3.562
1.00
74.85
MOL3
C


ATOM
11897
OD1
ASN
H
208
−18.664
−40.600
3.388
1.00
76.94
MOL3
O


ATOM
11898
ND2
ASN
H
208
−16.625
−40.585
4.303
1.00
69.62
MOL3
N


ATOM
11899
C
ASN
H
208
−18.094
−44.635
2.156
1.00
81.06
MOL3
C


ATOM
11900
O
ASN
H
208
−17.074
−44.667
1.474
1.00
78.69
MOL3
O


ATOM
11901
N
VAL
H
209
−19.087
−45.496
1.981
1.00
83.28
MOL3
N


ATOM
11902
CA
VAL
H
209
−18.958
−46.533
0.966
1.00
80.87
MOL3
C


ATOM
11903
CB
VAL
H
209
−19.731
−47.810
1.351
1.00
85.63
MOL3
C


ATOM
11904
CG1
VAL
H
209
−19.229
−48.983
0.524
1.00
79.18
MOL3
C


ATOM
11905
CG2
VAL
H
209
−19.563
−48.093
2.842
1.00
82.07
MOL3
C


ATOM
11906
C
VAL
H
209
−19.414
−46.036
−0.395
1.00
78.89
MOL3
C


ATOM
11907
O
VAL
H
209
−20.415
−45.318
−0.518
1.00
81.76
MOL3
O


ATOM
11908
N
ALA
H
210
−18.665
−46.428
−1.417
1.00
75.82
MOL3
N


ATOM
11909
CA
ALA
H
210
−18.940
−46.001
−2.784
1.00
81.55
MOL3
C


ATOM
11910
CB
ALA
H
210
−17.986
−44.886
−3.147
1.00
78.92
MOL3
C


ATOM
11911
C
ALA
H
210
−18.810
−47.121
−3.815
1.00
83.84
MOL3
C


ATOM
11912
O
ALA
H
210
−17.757
−47.752
−3.906
1.00
80.91
MOL3
O


ATOM
11913
N
HIS
H
211
−19.862
−47.360
−4.601
1.00
86.08
MOL3
N


ATOM
11914
CA
HIS
H
211
−19.795
−48.397
−5.624
1.00
84.97
MOL3
C


ATOM
11915
CB
HIS
H
211
−20.796
−49.509
−5.405
1.00
80.26
MOL3
C


ATOM
11916
CG
HIS
H
211
−20.470
−50.742
−6.181
1.00
73.85
MOL3
C


ATOM
11917
CD2
HIS
H
211
−19.278
−51.271
−6.540
1.00
72.72
MOL3
C


ATOM
11918
ND1
HIS
H
211
−21.428
−51.632
−6.610
1.00
76.06
MOL3
N


ATOM
11919
CE1
HIS
H
211
−20.841
−52.662
−7.193
1.00
70.05
MOL3
C


ATOM
11920
NE2
HIS
H
211
−19.536
−52.468
−7.162
1.00
68.29
MOL3
N


ATOM
11921
C
HIS
H
211
−20.037
−47.842
−7.004
1.00
89.60
MOL3
C


ATOM
11922
O
HIS
H
211
−21.178
−47.650
−7.421
1.00
93.26
MOL3
O


ATOM
11923
N
PRO
H
212
−18.951
−47.601
−7.746
1.00
93.11
MOL3
N


ATOM
11924
CD
PRO
H
212
−17.573
−47.920
−7.339
1.00
92.68
MOL3
C


ATOM
11925
CA
PRO
H
212
−18.967
−47.062
−9.107
1.00
91.18
MOL3
C


ATOM
11926
CB
PRO
H
212
−17.500
−47.090
−9.509
1.00
87.71
MOL3
C


ATOM
11927
CG
PRO
H
212
−16.782
−46.993
−8.207
1.00
89.67
MOL3
C


ATOM
11928
C
PRO
H
212
−19.798
−47.904
−10.054
1.00
90.13
MOL3
C


ATOM
11929
O
PRO
H
212
−20.741
−47.424
−10.668
1.00
89.72
MOL3
O


ATOM
11930
N
ALA
H
213
−19.431
−49.169
−10.174
1.00
90.84
MOL3
N


ATOM
11931
CA
ALA
H
213
−20.136
−50.076
−11.062
1.00
92.12
MOL3
C


ATOM
11932
CB
ALA
H
213
−19.669
−51.499
−10.822
1.00
92.89
MOL3
C


ATOM
11933
C
ALA
H
213
−21.655
−49.994
−10.942
1.00
94.00
MOL3
C


ATOM
11934
O
ALA
H
213
−22.368
−50.327
−11.882
1.00
94.47
MOL3
O


ATOM
11935
N
SER
H
214
−22.145
−49.544
−9.791
1.00
95.58
MOL3
N


ATOM
11936
CA
SER
H
214
−23.580
−49.427
−9.553
1.00
93.94
MOL3
C


ATOM
11937
CB
SER
H
214
−23.965
−50.266
−8.343
1.00
93.75
MOL3
C


ATOM
11938
OG
SER
H
214
−23.219
−49.865
−7.205
1.00
89.83
MOL3
O


ATOM
11939
C
SER
H
214
−23.949
−47.980
−9.290
1.00
95.88
MOL3
C


ATOM
11940
O
SER
H
214
−25.095
−47.665
−8.984
1.00
100.11
MOL3
O


ATOM
11941
N
SER
H
215
−22.960
−47.104
−9.403
1.00
97.87
MOL3
N


ATOM
11942
CA
SER
H
215
−23.143
−45.680
−9.167
1.00
99.24
MOL3
C


ATOM
11943
CB
SER
H
215
−23.980
−45.070
−10.284
1.00
98.78
MOL3
C


ATOM
11944
OG
SER
H
215
−23.278
−45.147
−11.514
1.00
102.48
MOL3
O


ATOM
11945
C
SER
H
215
−23.767
−45.381
−7.812
1.00
99.58
MOL3
C


ATOM
11946
O
SER
H
215
−24.384
−44.337
−7.628
1.00
102.78
MOL3
O


ATOM
11947
N
THR
H
216
−23.587
−46.300
−6.867
1.00
97.10
MOL3
N


ATOM
11948
CA
THR
H
216
−24.111
−46.145
−5.520
1.00
93.31
MOL3
C


ATOM
11949
CB
THR
H
216
−24.374
−47.504
−4.881
1.00
92.04
MOL3
C


ATOM
11950
OG1
THR
H
216
−24.966
−48.378
−5.846
1.00
88.94
MOL3
O


ATOM
11951
CG2
THR
H
216
−25.316
−47.360
−3.698
1.00
97.81
MOL3
C


ATOM
11952
C
THR
H
216
−23.050
−45.432
−4.690
1.00
93.44
MOL3
C


ATOM
11953
O
THR
H
216
−21.868
−45.500
−5.008
1.00
89.78
MOL3
O


ATOM
11954
N
LYS
H
217
−23.469
−44.742
−3.634
1.00
93.38
MOL3
N


ATOM
11955
CA
LYS
H
217
−22.530
−44.043
−2.768
1.00
88.95
MOL3
C


ATOM
11956
CB
LYS
H
217
−22.073
−42.741
−3.428
1.00
85.95
MOL3
C


ATOM
11957
CG
LYS
H
217
−20.668
−42.287
−3.026
1.00
90.47
MOL3
C


ATOM
11958
CD
LYS
H
217
−20.061
−41.264
−4.023
1.00
95.55
MOL3
C


ATOM
11959
CE
LYS
H
217
−20.843
−39.935
−4.065
1.00
98.10
MOL3
C


ATOM
11960
NZ
LYS
H
217
−20.382
−38.979
−5.126
1.00
90.44
MOL3
N


ATOM
11961
C
LYS
H
217
−23.224
−43.792
−1.437
1.00
89.96
MOL3
C


ATOM
11962
O
LYS
H
217
−23.720
−42.706
−1.156
1.00
93.10
MOL3
O


ATOM
11963
N
VAL
H
218
−23.231
−44.843
−0.629
1.00
88.84
MOL3
N


ATOM
11964
CA
VAL
H
218
−23.858
−44.902
0.688
1.00
87.90
MOL3
C


ATOM
11965
CB
VAL
H
218
−24.147
−46.359
1.010
1.00
88.66
MOL3
C


ATOM
11966
CG1
VAL
H
218
−25.423
−46.487
1.817
1.00
95.34
MOL3
C


ATOM
11967
CG2
VAL
H
218
−24.190
−47.156
−0.288
1.00
89.64
MOL3
C


ATOM
11968
C
VAL
H
218
−23.005
−44.391
1.837
1.00
84.78
MOL3
C


ATOM
11969
O
VAL
H
218
−21.827
−44.695
1.893
1.00
80.97
MOL3
O


ATOM
11970
N
ASP
H
219
−23.600
−43.640
2.759
1.00
86.47
MOL3
N


ATOM
11971
CA
ASP
H
219
−22.878
−43.158
3.935
1.00
90.23
MOL3
C


ATOM
11972
CB
ASP
H
219
−22.793
−41.633
3.970
1.00
95.17
MOL3
C


ATOM
11973
CG
ASP
H
219
−21.793
−41.082
2.968
1.00
102.60
MOL3
C


ATOM
11974
OD1
ASP
H
219
−20.742
−41.732
2.788
1.00
104.56
MOL3
O


ATOM
11975
OD2
ASP
H
219
−22.043
−40.004
2.373
1.00
102.34
MOL3
O


ATOM
11976
C
ASP
H
219
−23.655
−43.651
5.132
1.00
92.51
MOL3
C


ATOM
11977
O
ASP
H
219
−24.871
−43.495
5.180
1.00
99.15
MOL3
O


ATOM
11978
N
LYS
H
220
−22.962
−44.261
6.089
1.00
92.41
MOL3
N


ATOM
11979
CA
LYS
H
220
−23.622
−44.796
7.275
1.00
93.36
MOL3
C


ATOM
11980
CB
LYS
H
220
−23.543
−46.333
7.260
1.00
84.54
MOL3
C


ATOM
11981
CG
LYS
H
220
−24.734
−47.055
7.914
1.00
81.35
MOL3
C


ATOM
11982
CD
LYS
H
220
−25.977
−47.143
7.015
1.00
75.68
MOL3
C


ATOM
11983
CE
LYS
H
220
−25.735
−48.051
5.800
1.00
87.50
MOL3
C


ATOM
11984
NZ
LYS
H
220
−26.946
−48.477
4.992
1.00
88.31
MOL3
N


ATOM
11985
C
LYS
H
220
−22.944
−44.228
8.521
1.00
94.15
MOL3
C


ATOM
11986
O
LYS
H
220
−21.753
−44.423
8.725
1.00
91.61
MOL3
O


ATOM
11987
N
LYS
H
221
−23.693
−43.500
9.343
1.00
96.99
MOL3
N


ATOM
11988
CA
LYS
H
221
−23.106
−42.934
10.545
1.00
95.18
MOL3
C


ATOM
11989
CB
LYS
H
221
−23.928
−41.739
11.040
1.00
98.20
MOL3
C


ATOM
11990
CG
LYS
H
221
−23.304
−41.018
12.223
1.00
101.59
MOL3
C


ATOM
11991
CD
LYS
H
221
−24.228
−39.946
12.803
1.00
105.32
MOL3
C


ATOM
11992
CE
LYS
H
221
−24.359
−38.736
11.884
1.00
107.02
MOL3
C


ATOM
11993
NZ
LYS
H
221
−25.213
−37.656
12.475
1.00
101.78
MOL3
N


ATOM
11994
C
LYS
H
221
−23.036
−44.027
11.600
1.00
93.02
MOL3
C


ATOM
11995
O
LYS
H
221
−23.934
−44.873
11.704
1.00
91.92
MOL3
O


ATOM
11996
N
ILE
H
222
−21.955
−44.022
12.368
1.00
89.58
MOL3
N


ATOM
11997
CA
ILE
H
222
−21.774
−45.030
13.400
1.00
88.34
MOL3
C


ATOM
11998
CB
ILE
H
222
−20.288
−45.415
13.580
1.00
83.38
MOL3
C


ATOM
11999
CG2
ILE
H
222
−20.164
−46.498
14.621
1.00
84.72
MOL3
C


ATOM
12000
CG1
ILE
H
222
−19.715
−45.965
12.280
1.00
78.50
MOL3
C


ATOM
12001
CD1
ILE
H
222
−19.672
−44.965
11.171
1.00
84.43
MOL3
C


ATOM
12002
C
ILE
H
222
−22.311
−44.550
14.734
1.00
86.50
MOL3
C


ATOM
12003
O
ILE
H
222
−21.734
−43.681
15.365
1.00
82.24
MOL3
O


ATOM
12004
N
VAL
H
223
−23.432
−45.113
15.156
1.00
90.57
MOL3
N


ATOM
12005
CA
VAL
H
223
−24.008
−44.728
16.427
1.00
95.46
MOL3
C


ATOM
12006
CB
VAL
H
223
−25.396
−44.102
16.256
1.00
91.96
MOL3
C


ATOM
12007
CG1
VAL
H
223
−25.266
−42.793
15.504
1.00
88.47
MOL3
C


ATOM
12008
CG2
VAL
H
223
−26.318
−45.063
15.529
1.00
92.22
MOL3
C


ATOM
12009
C
VAL
H
223
−24.086
−45.928
17.349
1.00
100.28
MOL3
C


ATOM
12010
O
VAL
H
223
−24.399
−47.046
16.928
1.00
105.28
MOL3
O


ATOM
12011
N
PRO
H
224
−23.784
−45.704
18.629
1.00
99.26
MOL3
N


ATOM
12012
CD
PRO
H
224
−23.449
−44.354
19.105
1.00
92.15
MOL3
C


ATOM
12013
CA
PRO
H
224
−23.766
−46.665
19.730
1.00
102.86
MOL3
C


ATOM
12014
CB
PRO
H
224
−23.245
−45.828
20.882
1.00
100.47
MOL3
C


ATOM
12015
CG
PRO
H
224
−23.768
−44.457
20.544
1.00
94.92
MOL3
C


ATOM
12016
C
PRO
H
224
−25.101
−47.313
20.057
1.00
109.86
MOL3
C


ATOM
12017
O
PRO
H
224
−26.122
−46.990
19.459
1.00
111.11
MOL3
O


ATOM
12018
N
ARG
H
225
−25.080
−48.245
21.002
1.00
119.34
MOL3
N


ATOM
12019
CA
ARG
H
225
−26.306
−48.904
21.437
1.00
129.90
MOL3
C


ATOM
12020
CB
ARG
H
225
−26.143
−50.422
21.468
1.00
127.38
MOL3
C


ATOM
12021
CG
ARG
H
225
−26.052
−51.065
20.101
1.00
117.97
MOL3
C


ATOM
12022
CD
ARG
H
225
−24.671
−50.923
19.513
1.00
107.99
MOL3
C


ATOM
12023
NE
ARG
H
225
−24.461
−51.902
18.450
1.00
107.59
MOL3
N


ATOM
12024
CZ
ARG
H
225
−24.624
−53.215
18.595
1.00
103.80
MOL3
C


ATOM
12025
NH1
ARG
H
225
−24.405
−54.031
17.570
1.00
101.69
MOL3
N


ATOM
12026
NH2
ARG
H
225
−25.010
−53.715
19.763
1.00
101.56
MOL3
N


ATOM
12027
C
ARG
H
225
−26.687
−48.382
22.825
1.00
138.98
MOL3
C


ATOM
12028
O
ARG
H
225
−25.836
−47.869
23.562
1.00
138.90
MOL3
O


ATOM
12029
N
ASP
H
226
−27.964
−48.513
23.176
1.00
148.18
MOL3
N


ATOM
12030
CA
ASP
H
226
−28.457
−48.017
24.461
1.00
156.78
MOL3
C


ATOM
12031
CB
ASP
H
226
−29.974
−47.765
24.378
1.00
157.84
MOL3
C


ATOM
12032
CG
ASP
H
226
−30.340
−46.675
23.370
1.00
158.63
MOL3
C


ATOM
12033
OD1
ASP
H
226
−31.513
−46.239
23.362
1.00
157.41
MOL3
O


ATOM
12034
OD2
ASP
H
226
−29.461
−46.256
22.584
1.00
157.97
MOL3
O


ATOM
12035
C
ASP
H
226
−28.140
−48.882
25.691
1.00
160.96
MOL3
C


ATOM
12036
O
ASP
H
226
−27.022
−48.852
26.213
1.00
160.25
MOL3
O


ATOM
12037
N
CYS
H
227
−29.129
−49.638
26.158
1.00
167.01
MOL3
N


ATOM
12038
CA
CYS
H
227
−28.954
−50.485
27.333
1.00
172.77
MOL3
C


ATOM
12039
CB
CYS
H
227
−30.325
−50.765
27.988
1.00
176.72
MOL3
C


ATOM
12040
SG
CYS
H
227
−31.668
−51.545
27.008
1.00
183.08
MOL3
S


ATOM
12041
C
CYS
H
227
−28.199
−51.789
27.059
1.00
174.15
MOL3
C


ATOM
12042
O
CYS
H
227
−27.700
−51.958
25.921
1.00
174.94
MOL3
O


ATOM
12043
OXT
CYS
H
227
−28.104
−52.618
27.995
1.00
175.28
MOL3
O


ATOM
12044
CB
GLU
I
15
28.076
−18.463
−10.237
1.00
162.95
MOL3
C


ATOM
12045
CG
GLU
I
15
27.674
−18.794
−8.792
1.00
163.87
MOL3
C


ATOM
12046
CD
GLU
I
15
27.343
−17.564
−7.955
1.00
163.49
MOL3
C


ATOM
12047
OE1
GLU
I
15
28.222
−16.684
−7.824
1.00
162.41
MOL3
O


ATOM
12048
OE2
GLU
I
15
26.212
−17.481
−7.421
1.00
160.36
MOL3
O


ATOM
12049
C
GLU
I
15
26.323
−16.749
−10.849
1.00
163.75
MOL3
C


ATOM
12050
O
GLU
I
15
25.252
−16.652
−10.243
1.00
163.46
MOL3
O


ATOM
12051
N
GLU
I
15
27.404
−18.150
−12.598
1.00
161.12
MOL3
N


ATOM
12052
CA
GLU
I
15
26.915
−18.125
−11.188
1.00
163.21
MOL3
C


ATOM
12053
N
SER
I
16
27.020
−15.693
−11.262
1.00
163.58
MOL3
N


ATOM
12054
CA
SER
I
16
26.593
−14.319
−11.009
1.00
162.86
MOL3
C


ATOM
12055
CB
SER
I
16
27.451
−13.714
−9.892
1.00
160.63
MOL3
C


ATOM
12056
OG
SER
I
16
27.167
−12.339
−9.700
1.00
158.49
MOL3
O


ATOM
12057
C
SER
I
16
26.702
−13.445
−12.264
1.00
164.09
MOL3
C


ATOM
12058
O
SER
I
16
26.070
−12.390
−12.351
1.00
164.62
MOL3
O


ATOM
12059
N
CYS
I
17
27.503
−13.895
−13.229
1.00
165.88
MOL3
N


ATOM
12060
CA
CYS
I
17
27.723
−13.155
−14.476
1.00
168.09
MOL3
C


ATOM
12061
C
CYS
I
17
26.405
−12.749
−15.143
1.00
169.75
MOL3
C


ATOM
12062
O
CYS
I
17
25.363
−13.364
−14.911
1.00
168.23
MOL3
O


ATOM
12063
CB
CYS
I
17
28.543
−13.991
−15.488
1.00
168.90
MOL3
C


ATOM
12064
SG
CYS
I
17
29.769
−15.216
−14.875
1.00
172.29
MOL3
S


ATOM
12065
N
PRO
I
18
26.441
−11.695
−15.981
1.00
173.94
MOL3
N


ATOM
12066
CD
PRO
I
18
27.604
−10.809
−16.170
1.00
175.68
MOL3
C


ATOM
12067
CA
PRO
I
18
25.272
−11.177
−16.707
1.00
176.27
MOL3
C


ATOM
12068
CB
PRO
I
18
25.854
−10.018
−17.516
1.00
176.47
MOL3
C


ATOM
12069
CG
PRO
I
18
26.950
−9.517
−16.623
1.00
177.15
MOL3
C


ATOM
12070
C
PRO
I
18
24.671
−12.262
−17.602
1.00
177.65
MOL3
C


ATOM
12071
O
PRO
I
18
25.175
−12.531
−18.698
1.00
177.40
MOL3
O


ATOM
12072
N
PRO
I
19
23.573
−12.885
−17.144
1.00
178.76
MOL3
N


ATOM
12073
CD
PRO
I
19
22.801
−12.395
−15.989
1.00
178.22
MOL3
C


ATOM
12074
CA
PRO
I
19
22.842
−13.957
−17.833
1.00
179.21
MOL3
C


ATOM
12075
CB
PRO
I
19
21.534
−14.056
−17.037
1.00
179.55
MOL3
C


ATOM
12076
CG
PRO
I
19
21.391
−12.689
−16.414
1.00
179.46
MOL3
C


ATOM
12077
C
PRO
I
19
22.609
−13.803
−19.342
1.00
179.60
MOL3
C


ATOM
12078
O
PRO
I
19
22.938
−12.779
−19.950
1.00
179.12
MOL3
O


ATOM
12079
N
VAL
I
20
22.040
−14.854
−19.928
1.00
179.64
MOL3
N


ATOM
12080
CA
VAL
I
20
21.747
−14.924
−21.356
1.00
179.72
MOL3
C


ATOM
12081
CB
VAL
I
20
22.385
−16.214
−21.958
1.00
179.88
MOL3
C


ATOM
12082
CG1
VAL
I
20
21.393
−17.369
−21.888
1.00
178.65
MOL3
C


ATOM
12083
CG2
VAL
I
20
22.869
−15.969
−23.379
1.00
179.43
MOL3
C


ATOM
12084
C
VAL
I
20
20.221
−14.982
−21.506
1.00
179.53
MOL3
C


ATOM
12085
O
VAL
I
20
19.513
−15.232
−20.528
1.00
179.05
MOL3
O


ATOM
12086
N
PRO
I
21
19.695
−14.742
−22.723
1.00
179.95
MOL3
N


ATOM
12087
CD
PRO
I
21
20.392
−14.285
−23.942
1.00
179.35
MOL3
C


ATOM
12088
CA
PRO
I
21
18.247
−14.781
−22.949
1.00
180.09
MOL3
C


ATOM
12089
CB
PRO
I
21
18.151
−14.857
−24.465
1.00
179.29
MOL3
C


ATOM
12090
CG
PRO
I
21
19.237
−13.907
−24.870
1.00
180.07
MOL3
C


ATOM
12091
C
PRO
I
21
17.503
−15.917
−22.235
1.00
180.81
MOL3
C


ATOM
12092
O
PRO
I
21
16.366
−15.731
−21.794
1.00
179.87
MOL3
O


ATOM
12093
N
GLY
I
22
18.139
−17.083
−22.117
1.00
181.44
MOL3
N


ATOM
12094
CA
GLY
I
22
17.503
−18.198
−21.432
1.00
180.30
MOL3
C


ATOM
12095
C
GLY
I
22
17.641
−19.565
−22.081
1.00
179.20
MOL3
C


ATOM
12096
O
GLY
I
22
17.286
−19.749
−23.250
1.00
179.81
MOL3
O


ATOM
12097
N
GLY
I
23
18.151
−20.527
−21.314
1.00
177.37
MOL3
N


ATOM
12098
CA
GLY
I
23
18.321
−21.882
−21.815
1.00
174.20
MOL3
C


ATOM
12099
C
GLY
I
23
19.267
−22.011
−22.996
1.00
171.91
MOL3
C


ATOM
12100
O
GLY
I
23
18.878
−22.495
−24.062
1.00
173.02
MOL3
O


ATOM
12101
N
SER
I
24
20.512
−21.584
−22.807
1.00
167.31
MOL3
N


ATOM
12102
CA
SER
I
24
21.517
−21.654
−23.861
1.00
161.68
MOL3
C


ATOM
12103
CB
SER
I
24
21.215
−20.606
−24.941
1.00
161.88
MOL3
C


ATOM
12104
OG
SER
I
24
21.059
−19.311
−24.383
1.00
162.49
MOL3
O


ATOM
12105
C
SER
I
24
22.922
−21.442
−23.296
1.00
157.77
MOL3
C


ATOM
12106
O
SER
I
24
23.103
−20.705
−22.326
1.00
156.54
MOL3
O


ATOM
12107
N
MET
I
25
23.908
−22.101
−23.901
1.00
153.19
MOL3
N


ATOM
12108
CA
MET
I
25
25.298
−21.980
−23.470
1.00
147.19
MOL3
C


ATOM
12109
CB
MET
I
25
25.658
−23.140
−22.531
1.00
148.21
MOL3
C


ATOM
12110
CG
MET
I
25
24.828
−23.180
−21.241
1.00
149.84
MOL3
C


ATOM
12111
SD
MET
I
25
25.033
−24.682
−20.221
1.00
155.01
MOL3
S


ATOM
12112
CE
MET
I
25
26.088
−24.076
−18.866
1.00
151.08
MOL3
C


ATOM
12113
C
MET
I
25
26.236
−21.943
−24.686
1.00
143.35
MOL3
C


ATOM
12114
O
MET
I
25
25.825
−22.221
−25.815
1.00
142.51
MOL3
O


ATOM
12115
N
LYS
I
26
27.494
−21.585
−24.449
1.00
139.00
MOL3
N


ATOM
12116
CA
LYS
I
26
28.491
−21.492
−25.514
1.00
136.16
MOL3
C


ATOM
12117
CB
LYS
I
26
29.665
−20.617
−25.051
1.00
138.48
MOL3
C


ATOM
12118
CG
LYS
I
26
29.436
−19.119
−25.209
1.00
139.69
MOL3
C


ATOM
12119
CD
LYS
I
26
28.154
−18.661
−24.524
1.00
141.68
MOL3
C


ATOM
12120
CE
LYS
I
26
27.854
−17.196
−24.830
1.00
140.20
MOL3
C


ATOM
12121
NZ
LYS
I
26
26.570
−16.747
−24.225
1.00
138.85
MOL3
N


ATOM
12122
C
LYS
I
26
29.028
−22.842
−25.991
1.00
132.33
MOL3
C


ATOM
12123
O
LYS
I
26
29.700
−23.552
−25.245
1.00
130.87
MOL3
O


ATOM
12124
N
LEU
I
27
28.739
−23.182
−27.243
1.00
127.83
MOL3
N


ATOM
12125
CA
LEU
I
27
29.201
−24.437
−27.820
1.00
126.14
MOL3
C


ATOM
12126
CB
LEU
I
27
28.002
−25.273
−28.267
1.00
126.37
MOL3
C


ATOM
12127
CG
LEU
I
27
28.270
−26.698
−28.756
1.00
125.28
MOL3
C


ATOM
12128
CD1
LEU
I
27
28.778
−27.539
−27.596
1.00
123.34
MOL3
C


ATOM
12129
CD2
LEU
I
27
26.992
−27.300
−29.329
1.00
122.30
MOL3
C


ATOM
12130
C
LEU
I
27
30.089
−24.138
−29.022
1.00
126.93
MOL3
C


ATOM
12131
O
LEU
I
27
29.592
−23.915
−30.123
1.00
125.48
MOL3
O


ATOM
12132
N
ASP
I
28
31.400
−24.133
−28.814
1.00
130.16
MOL3
N


ATOM
12133
CA
ASP
I
28
32.329
−23.848
−29.899
1.00
133.88
MOL3
C


ATOM
12134
CB
ASP
I
28
33.775
−23.863
−29.384
1.00
139.45
MOL3
C


ATOM
12135
CG
ASP
I
28
34.040
−22.776
−28.349
1.00
142.85
MOL3
C


ATOM
12136
OD1
ASP
I
28
33.393
−22.808
−27.282
1.00
140.81
MOL3
O


ATOM
12137
OD2
ASP
I
28
34.891
−21.890
−28.602
1.00
145.07
MOL3
O


ATOM
12138
C
ASP
I
28
32.173
−24.842
−31.045
1.00
133.64
MOL3
C


ATOM
12139
O
ASP
I
28
31.911
−26.026
−30.831
1.00
131.79
MOL3
O


ATOM
12140
N
ILE
I
29
32.321
−24.344
−32.267
1.00
135.74
MOL3
N


ATOM
12141
CA
ILE
I
29
32.214
−25.190
−33.447
1.00
138.15
MOL3
C


ATOM
12142
CB
ILE
I
29
32.085
−24.365
−34.739
1.00
142.38
MOL3
C


ATOM
12143
CG2
ILE
I
29
30.785
−23.569
−34.717
1.00
144.15
MOL3
C


ATOM
12144
CG1
ILE
I
29
33.317
−23.463
−34.896
1.00
144.80
MOL3
C


ATOM
12145
CD1
ILE
I
29
33.425
−22.759
−36.238
1.00
144.70
MOL3
C


ATOM
12146
C
ILE
I
29
33.486
−26.012
−33.554
1.00
136.65
MOL3
C


ATOM
12147
O
ILE
I
29
34.481
−25.727
−32.883
1.00
136.50
MOL3
O


ATOM
12148
N
GLY
I
30
33.455
−27.027
−34.407
1.00
133.72
MOL3
N


ATOM
12149
CA
GLY
I
30
34.625
−27.862
−34.571
1.00
130.45
MOL3
C


ATOM
12150
C
GLY
I
30
34.696
−28.942
−33.514
1.00
125.76
MOL3
C


ATOM
12151
O
GLY
I
30
34.797
−28.668
−32.318
1.00
124.14
MOL3
O


ATOM
12152
N
ILE
I
31
34.649
−30.183
−33.973
1.00
122.20
MOL3
N


ATOM
12153
CA
ILE
I
31
34.699
−31.334
−33.095
1.00
117.41
MOL3
C


ATOM
12154
CB
ILE
I
31
33.791
−32.462
−33.634
1.00
115.17
MOL3
C


ATOM
12155
CG2
ILE
I
31
33.610
−33.530
−32.575
1.00
115.99
MOL3
C


ATOM
12156
CG1
ILE
I
31
32.428
−31.897
−34.053
1.00
109.89
MOL3
C


ATOM
12157
CD1
ILE
I
31
32.432
−31.169
−35.386
1.00
106.19
MOL3
C


ATOM
12158
C
ILE
I
31
36.134
−31.849
−33.004
1.00
116.13
MOL3
C


ATOM
12159
O
ILE
I
31
36.793
−32.045
−34.022
1.00
115.05
MOL3
O


ATOM
12160
N
ILE
I
32
36.611
−32.064
−31.785
1.00
116.20
MOL3
N


ATOM
12161
CA
ILE
I
32
37.959
−32.563
−31.569
1.00
119.99
MOL3
C


ATOM
12162
CB
ILE
I
32
38.343
−32.472
−30.084
1.00
121.62
MOL3
C


ATOM
12163
CG2
ILE
I
32
39.748
−33.022
−29.879
1.00
124.67
MOL3
C


ATOM
12164
CG1
ILE
I
32
38.249
−31.020
−29.607
1.00
121.53
MOL3
C


ATOM
12165
CD1
ILE
I
32
38.719
−30.806
−28.169
1.00
120.71
MOL3
C


ATOM
12166
C
ILE
I
32
38.087
−34.021
−32.013
1.00
122.93
MOL3
C


ATOM
12167
O
ILE
I
32
37.331
−34.877
−31.564
1.00
123.52
MOL3
O


ATOM
12168
N
ASN
I
33
39.046
−34.291
−32.896
1.00
128.61
MOL3
N


ATOM
12169
CA
ASN
I
33
39.295
−35.640
−33.410
1.00
134.25
MOL3
C


ATOM
12170
CB
ASN
I
33
39.338
−36.659
−32.266
1.00
138.33
MOL3
C


ATOM
12171
CG
ASN
I
33
40.529
−36.467
−31.350
1.00
143.66
MOL3
C


ATOM
12172
OD1
ASN
I
33
40.677
−37.177
−30.354
1.00
147.45
MOL3
O


ATOM
12173
ND2
ASN
I
33
41.387
−35.508
−31.682
1.00
147.64
MOL3
N


ATOM
12174
C
ASN
I
33
38.268
−36.109
−34.434
1.00
136.93
MOL3
C


ATOM
12175
O
ASN
I
33
38.037
−37.307
−34.572
1.00
137.56
MOL3
O


ATOM
12176
N
GLU
I
34
37.661
−35.171
−35.151
1.00
141.98
MOL3
N


ATOM
12177
CA
GLU
I
34
36.659
−35.495
−36.162
1.00
147.90
MOL3
C


ATOM
12178
CB
GLU
I
34
36.202
−34.206
−36.851
1.00
149.63
MOL3
C


ATOM
12179
CG
GLU
I
34
35.181
−34.405
−37.957
1.00
155.63
MOL3
C


ATOM
12180
CD
GLU
I
34
34.739
−33.094
−38.585
1.00
157.32
MOL3
C


ATOM
12181
OE1
GLU
I
34
34.140
−32.265
−37.867
1.00
159.91
MOL3
O


ATOM
12182
OE2
GLU
I
34
34.993
−32.894
−39.794
1.00
156.42
MOL3
O


ATOM
12183
C
GLU
I
34
37.199
−36.483
−37.198
1.00
152.50
MOL3
C


ATOM
12184
O
GLU
I
34
36.446
−37.034
−38.005
1.00
150.94
MOL3
O


ATOM
12185
N
ASN
I
35
38.506
−36.718
−37.162
1.00
160.08
MOL3
N


ATOM
12186
CA
ASN
I
35
39.136
−37.626
−38.113
1.00
166.41
MOL3
C


ATOM
12187
CB
ASN
I
35
40.524
−37.093
−38.495
1.00
169.05
MOL3
C


ATOM
12188
CG
ASN
I
35
40.452
−35.768
−39.252
1.00
168.59
MOL3
C


ATOM
12189
OD1
ASN
I
35
39.841
−35.678
−40.319
1.00
166.12
MOL3
O


ATOM
12190
ND2
ASN
I
35
41.076
−34.735
−38.696
1.00
169.03
MOL3
N


ATOM
12191
C
ASN
I
35
39.210
−39.101
−37.680
1.00
167.95
MOL3
C


ATOM
12192
O
ASN
I
35
39.466
−39.975
−38.511
1.00
169.37
MOL3
O


ATOM
12193
N
GLN
I
36
38.982
−39.380
−36.397
1.00
167.80
MOL3
N


ATOM
12194
CA
GLN
I
36
38.996
−40.760
−35.906
1.00
169.12
MOL3
C


ATOM
12195
CB
GLN
I
36
38.535
−40.814
−34.444
1.00
168.38
MOL3
C


ATOM
12196
CG
GLN
I
36
39.615
−40.555
−33.393
1.00
167.52
MOL3
C


ATOM
12197
CD
GLN
I
36
40.523
−41.758
−33.160
1.00
166.66
MOL3
C


ATOM
12198
OE1
GLN
I
36
41.340
−41.765
−32.237
1.00
163.74
MOL3
O


ATOM
12199
NE2
GLN
I
36
40.383
−42.779
−34.000
1.00
167.07
MOL3
N


ATOM
12200
C
GLN
I
36
38.034
−41.584
−36.760
1.00
171.58
MOL3
C


ATOM
12201
O
GLN
I
36
36.821
−41.354
−36.727
1.00
169.42
MOL3
O


ATOM
12202
N
ARG
I
37
38.569
−42.544
−37.514
1.00
175.43
MOL3
N


ATOM
12203
CA
ARG
I
37
37.741
−43.376
−38.385
1.00
178.58
MOL3
C


ATOM
12204
CB
ARG
I
37
38.587
−44.001
−39.503
1.00
180.60
MOL3
C


ATOM
12205
CG
ARG
I
37
37.771
−44.812
−40.517
1.00
180.87
MOL3
C


ATOM
12206
CD
ARG
I
37
38.629
−45.374
−41.654
1.00
180.99
MOL3
C


ATOM
12207
NE
ARG
I
37
38.691
−44.504
−42.830
1.00
180.13
MOL3
N


ATOM
12208
CZ
ARG
I
37
39.248
−43.295
−42.859
1.00
179.27
MOL3
C


ATOM
12209
NH1
ARG
I
37
39.806
−42.780
−41.772
1.00
178.28
MOL3
N


ATOM
12210
NH2
ARG
I
37
39.253
−42.599
−43.989
1.00
178.79
MOL3
N


ATOM
12211
C
ARG
I
37
36.966
−44.474
−37.661
1.00
179.06
MOL3
C


ATOM
12212
O
ARG
I
37
37.439
−45.049
−36.676
1.00
177.51
MOL3
O


ATOM
12213
N
VAL
I
38
35.767
−44.749
−38.174
1.00
180.94
MOL3
N


ATOM
12214
CA
VAL
I
38
34.870
−45.763
−37.623
1.00
181.97
MOL3
C


ATOM
12215
CB
VAL
I
38
33.609
−45.946
−38.515
1.00
182.48
MOL3
C


ATOM
12216
CG1
VAL
I
38
32.638
−46.912
−37.851
1.00
180.01
MOL3
C


ATOM
12217
CG2
VAL
I
38
32.940
−44.598
−38.770
1.00
182.29
MOL3
C


ATOM
12218
C
VAL
I
38
35.578
−47.106
−37.513
1.00
181.78
MOL3
C


ATOM
12219
O
VAL
I
38
35.495
−47.940
−38.416
1.00
182.53
MOL3
O


ATOM
12220
N
SER
I
39
36.272
−47.314
−36.402
1.00
180.64
MOL3
N


ATOM
12221
CA
SER
I
39
36.995
−48.557
−36.198
1.00
180.27
MOL3
C


ATOM
12222
CB
SER
I
39
37.880
−48.450
−34.954
1.00
182.42
MOL3
C


ATOM
12223
OG
SER
I
39
38.805
−49.523
−34.890
1.00
184.31
MOL3
O


ATOM
12224
C
SER
I
39
36.027
−49.734
−36.065
1.00
178.35
MOL3
C


ATOM
12225
O
SER
I
39
35.590
−50.080
−34.965
1.00
177.64
MOL3
O


ATOM
12226
N
MET
I
40
35.687
−50.333
−37.203
1.00
175.54
MOL3
N


ATOM
12227
CA
MET
I
40
34.791
−51.486
−37.245
1.00
169.58
MOL3
C


ATOM
12228
CB
MET
I
40
33.400
−51.100
−37.771
1.00
168.92
MOL3
C


ATOM
12229
CG
MET
I
40
32.565
−50.221
−36.855
1.00
166.14
MOL3
C


ATOM
12230
SD
MET
I
40
30.812
−50.310
−37.299
1.00
161.34
MOL3
S


ATOM
12231
CE
MET
I
40
30.822
−49.553
−38.922
1.00
163.80
MOL3
C


ATOM
12232
C
MET
I
40
35.373
−52.562
−38.159
1.00
164.34
MOL3
C


ATOM
12233
O
MET
I
40
34.960
−52.686
−39.316
1.00
163.71
MOL3
O


ATOM
12234
N
SER
I
41
36.339
−53.323
−37.649
1.00
156.31
MOL3
N


ATOM
12235
CA
SER
I
41
36.942
−54.392
−38.435
1.00
148.84
MOL3
C


ATOM
12236
CB
SER
I
41
37.887
−55.236
−37.578
1.00
147.06
MOL3
C


ATOM
12237
OG
SER
I
41
38.952
−54.454
−37.077
1.00
143.09
MOL3
O


ATOM
12238
C
SER
I
41
35.789
−55.249
−38.925
1.00
145.37
MOL3
C


ATOM
12239
O
SER
I
41
35.267
−56.089
−38.198
1.00
146.63
MOL3
O


ATOM
12240
N
ARG
I
42
35.389
−55.020
−40.165
1.00
140.97
MOL3
N


ATOM
12241
CA
ARG
I
42
34.274
−55.735
−40.760
1.00
135.24
MOL3
C


ATOM
12242
CB
ARG
I
42
34.191
−55.397
−42.251
1.00
138.21
MOL3
C


ATOM
12243
CG
ARG
I
42
32.791
−55.444
−42.836
1.00
142.33
MOL3
C


ATOM
12244
CD
ARG
I
42
32.624
−54.362
−43.900
1.00
147.22
MOL3
C


ATOM
12245
NE
ARG
I
42
32.913
−53.033
−43.356
1.00
151.01
MOL3
N


ATOM
12246
CZ
ARG
I
42
32.777
−51.891
−44.027
1.00
151.43
MOL3
C


ATOM
12247
NH1
ARG
I
42
32.350
−51.895
−45.284
1.00
151.19
MOL3
N


ATOM
12248
NH2
ARG
I
42
33.074
−50.739
−43.440
1.00
152.19
MOL3
N


ATOM
12249
C
ARG
I
42
34.294
−57.249
−40.567
1.00
128.50
MOL3
C


ATOM
12250
O
ARG
I
42
35.346
−57.878
−40.420
1.00
126.72
MOL3
O


ATOM
12251
N
ASN
I
43
33.090
−57.805
−40.553
1.00
121.76
MOL3
N


ATOM
12252
CA
ASN
I
43
32.846
−59.229
−40.405
1.00
114.72
MOL3
C


ATOM
12253
CB
ASN
I
43
33.385
−59.960
−41.628
1.00
121.20
MOL3
C


ATOM
12254
CG
ASN
I
43
32.607
−59.614
−42.881
1.00
126.99
MOL3
C


ATOM
12255
OD1
ASN
I
43
32.585
−58.458
−43.308
1.00
131.03
MOL3
O


ATOM
12256
ND2
ASN
I
43
31.947
−60.608
−43.467
1.00
128.09
MOL3
N


ATOM
12257
C
ASN
I
43
33.274
−59.943
−39.129
1.00
106.15
MOL3
C


ATOM
12258
O
ASN
I
43
32.968
−61.125
−38.971
1.00
109.43
MOL3
O


ATOM
12259
N
ILE
I
44
33.953
−59.262
−38.206
1.00
92.33
MOL3
N


ATOM
12260
CA
ILE
I
44
34.334
−59.945
−36.968
1.00
78.29
MOL3
C


ATOM
12261
CB
ILE
I
44
35.195
−59.098
−36.010
1.00
71.39
MOL3
C


ATOM
12262
CG2
ILE
I
44
36.374
−58.488
−36.736
1.00
77.24
MOL3
C


ATOM
12263
CG1
ILE
I
44
34.335
−58.031
−35.359
1.00
62.95
MOL3
C


ATOM
12264
CD1
ILE
I
44
35.046
−57.323
−34.262
1.00
60.82
MOL3
C


ATOM
12265
C
ILE
I
44
33.052
−60.237
−36.227
1.00
72.52
MOL3
C


ATOM
12266
O
ILE
I
44
33.018
−61.063
−35.328
1.00
69.19
MOL3
O


ATOM
12267
N
GLU
I
45
31.995
−59.535
−36.607
1.00
71.23
MOL3
N


ATOM
12268
CA
GLU
I
45
30.699
−59.722
−35.985
1.00
72.96
MOL3
C


ATOM
12269
CB
GLU
I
45
29.681
−58.728
−36.539
1.00
75.42
MOL3
C


ATOM
12270
CG
GLU
I
45
30.258
−57.695
−37.494
1.00
92.67
MOL3
C


ATOM
12271
CD
GLU
I
45
29.653
−57.785
−38.895
1.00
103.60
MOL3
C


ATOM
12272
OE1
GLU
I
45
28.517
−58.303
−39.013
1.00
106.90
MOL3
O


ATOM
12273
OE2
GLU
I
45
30.302
−57.325
−39.871
1.00
104.63
MOL3
O


ATOM
12274
C
GLU
I
45
30.226
−61.127
−36.290
1.00
70.37
MOL3
C


ATOM
12275
O
GLU
I
45
29.288
−61.625
−35.674
1.00
75.71
MOL3
O


ATOM
12276
N
SER
I
46
30.871
−61.772
−37.250
1.00
66.05
MOL3
N


ATOM
12277
CA
SER
I
46
30.482
−63.127
−37.604
1.00
67.53
MOL3
C


ATOM
12278
CB
SER
I
46
30.000
−63.188
−39.055
1.00
66.91
MOL3
C


ATOM
12279
OG
SER
I
46
30.684
−62.251
−39.865
1.00
70.73
MOL3
O


ATOM
12280
C
SER
I
46
31.582
−64.150
−37.367
1.00
66.95
MOL3
C


ATOM
12281
O
SER
I
46
31.358
−65.353
−37.503
1.00
68.04
MOL3
O


ATOM
12282
N
ARG
I
47
32.765
−63.671
−36.999
1.00
64.16
MOL3
N


ATOM
12283
CA
ARG
I
47
33.884
−64.558
−36.724
1.00
62.29
MOL3
C


ATOM
12284
CB
ARG
I
47
35.204
−63.917
−37.163
1.00
59.57
MOL3
C


ATOM
12285
CG
ARG
I
47
35.200
−63.317
−38.550
1.00
56.22
MOL3
C


ATOM
12286
CD
ARG
I
47
36.607
−63.280
−39.127
1.00
60.55
MOL3
C


ATOM
12287
NE
ARG
I
47
37.637
−62.948
−38.140
1.00
64.99
MOL3
N


ATOM
12288
CZ
ARG
I
47
38.135
−61.730
−37.925
1.00
70.18
MOL3
C


ATOM
12289
NH1
ARG
I
47
37.702
−60.681
−38.629
1.00
68.79
MOL3
N


ATOM
12290
NH2
ARG
I
47
39.090
−61.566
−37.013
1.00
65.99
MOL3
N


ATOM
12291
C
ARG
I
47
33.948
−64.853
−35.224
1.00
63.25
MOL3
C


ATOM
12292
O
ARG
I
47
34.722
−65.697
−34.783
1.00
69.03
MOL3
O


ATOM
12293
N
SER
I
48
33.133
−64.154
−34.444
1.00
57.25
MOL3
N


ATOM
12294
CA
SER
I
48
33.121
−64.332
−33.002
1.00
55.05
MOL3
C


ATOM
12295
CB
SER
I
48
32.484
−63.107
−32.334
1.00
57.41
MOL3
C


ATOM
12296
OG
SER
I
48
32.431
−63.231
−30.919
1.00
60.15
MOL3
O


ATOM
12297
C
SER
I
48
32.368
−65.581
−32.586
1.00
56.43
MOL3
C


ATOM
12298
O
SER
I
48
31.442
−66.016
−33.265
1.00
53.09
MOL3
O


ATOM
12299
N
THR
I
49
32.783
−66.151
−31.460
1.00
57.82
MOL3
N


ATOM
12300
CA
THR
I
49
32.155
−67.338
−30.904
1.00
58.63
MOL3
C


ATOM
12301
CB
THR
I
49
32.918
−67.825
−29.677
1.00
61.95
MOL3
C


ATOM
12302
OG1
THR
I
49
32.690
−66.924
−28.585
1.00
63.24
MOL3
O


ATOM
12303
CG2
THR
I
49
34.398
−67.863
−29.971
1.00
69.51
MOL3
C


ATOM
12304
C
THR
I
49
30.768
−66.928
−30.443
1.00
58.47
MOL3
C


ATOM
12305
O
THR
I
49
29.925
−67.775
−30.149
1.00
65.64
MOL3
O


ATOM
12306
N
SER
I
50
30.557
−65.619
−30.352
1.00
51.66
MOL3
N


ATOM
12307
CA
SER
I
50
29.283
−65.054
−29.931
1.00
45.28
MOL3
C


ATOM
12308
CB
SER
I
50
29.392
−64.456
−28.519
1.00
47.18
MOL3
C


ATOM
12309
OG
SER
I
50
30.412
−63.477
−28.395
1.00
40.37
MOL3
O


ATOM
12310
C
SER
I
50
28.953
−63.980
−30.942
1.00
44.20
MOL3
C


ATOM
12311
O
SER
I
50
29.090
−62.797
−30.676
1.00
47.70
MOL3
O


ATOM
12312
N
PRO
I
51
28.509
−64.395
−32.127
1.00
45.21
MOL3
N


ATOM
12313
CD
PRO
I
51
28.056
−65.785
−32.242
1.00
46.36
MOL3
C


ATOM
12314
CA
PRO
I
51
28.115
−63.618
−33.314
1.00
43.94
MOL3
C


ATOM
12315
CB
PRO
I
51
27.623
−64.678
−34.291
1.00
46.00
MOL3
C


ATOM
12316
CG
PRO
I
51
28.124
−65.997
−33.710
1.00
53.03
MOL3
C


ATOM
12317
C
PRO
I
51
27.015
−62.633
−33.027
1.00
42.77
MOL3
C


ATOM
12318
O
PRO
I
51
26.266
−62.804
−32.079
1.00
50.02
MOL3
O


ATOM
12319
N
TRP
I
52
26.886
−61.625
−33.871
1.00
42.01
MOL3
N


ATOM
12320
CA
TRP
I
52
25.842
−60.631
−33.676
1.00
43.72
MOL3
C


ATOM
12321
CB
TRP
I
52
26.248
−59.690
−32.561
1.00
41.79
MOL3
C


ATOM
12322
CG
TRP
I
52
27.348
−58.743
−32.939
1.00
47.86
MOL3
C


ATOM
12323
CD2
TRP
I
52
28.725
−58.830
−32.554
1.00
45.17
MOL3
C


ATOM
12324
CE2
TRP
I
52
29.362
−57.675
−33.024
1.00
41.06
MOL3
C


ATOM
12325
CE3
TRP
I
52
29.475
−59.771
−31.848
1.00
52.60
MOL3
C


ATOM
12326
CD1
TRP
I
52
27.219
−57.576
−33.629
1.00
45.22
MOL3
C


ATOM
12327
NE1
TRP
I
52
28.423
−56.926
−33.679
1.00
44.52
MOL3
N


ATOM
12328
CZ2
TRP
I
52
30.706
−57.431
−32.809
1.00
42.81
MOL3
C


ATOM
12329
CZ3
TRP
I
52
30.812
−59.525
−31.634
1.00
54.69
MOL3
C


ATOM
12330
CH2
TRP
I
52
31.413
−58.364
−32.112
1.00
50.64
MOL3
C


ATOM
12331
C
TRP
I
52
25.559
−59.825
−34.937
1.00
47.78
MOL3
C


ATOM
12332
O
TRP
I
52
26.452
−59.611
−35.751
1.00
57.91
MOL3
O


ATOM
12333
N
ASN
I
53
24.318
−59.379
−35.102
1.00
47.44
MOL3
N


ATOM
12334
CA
ASN
I
53
23.940
−58.581
−36.266
1.00
52.67
MOL3
C


ATOM
12335
CB
ASN
I
53
22.504
−58.853
−36.697
1.00
59.42
MOL3
C


ATOM
12336
CG
ASN
I
53
22.321
−60.215
−37.296
1.00
72.49
MOL3
C


ATOM
12337
OD1
ASN
I
53
21.503
−61.011
−36.818
1.00
80.15
MOL3
O


ATOM
12338
ND2
ASN
I
53
23.068
−60.500
−38.360
1.00
76.42
MOL3
N


ATOM
12339
C
ASN
I
53
24.022
−57.114
−35.917
1.00
55.36
MOL3
C


ATOM
12340
O
ASN
I
53
24.062
−56.747
−34.745
1.00
56.59
MOL3
O


ATOM
12341
N
TYR
I
54
24.036
−56.274
−36.945
1.00
59.30
MOL3
N


ATOM
12342
CA
TYR
I
54
24.083
−54.827
−36.763
1.00
60.15
MOL3
C


ATOM
12343
CB
TYR
I
54
25.236
−54.194
−37.549
1.00
67.64
MOL3
C


ATOM
12344
CG
TYR
I
54
26.588
−54.204
−36.862
1.00
73.74
MOL3
C


ATOM
12345
CD1
TYR
I
54
27.695
−54.760
−37.479
1.00
79.03
MOL3
C


ATOM
12346
CE1
TYR
I
54
28.954
−54.712
−36.888
1.00
85.47
MOL3
C


ATOM
12347
CD2
TYR
I
54
26.770
−53.603
−35.627
1.00
80.28
MOL3
C


ATOM
12348
CE2
TYR
I
54
28.027
−53.551
−35.026
1.00
85.95
MOL3
C


ATOM
12349
CZ
TYR
I
54
29.116
−54.106
−35.665
1.00
85.84
MOL3
C


ATOM
12350
OH
TYR
I
54
30.374
−54.042
−35.095
1.00
89.54
MOL3
O


ATOM
12351
C
TYR
I
54
22.781
−54.287
−37.299
1.00
58.45
MOL3
C


ATOM
12352
O
TYR
I
54
22.101
−54.940
−38.082
1.00
64.52
MOL3
O


ATOM
12353
N
THR
I
55
22.432
−53.089
−36.872
1.00
59.53
MOL3
N


ATOM
12354
CA
THR
I
55
21.201
−52.449
−37.312
1.00
64.27
MOL3
C


ATOM
12355
CB
THR
I
55
20.052
−52.673
−36.344
1.00
62.30
MOL3
C


ATOM
12356
OG1
THR
I
55
19.817
−54.074
−36.188
1.00
66.33
MOL3
O


ATOM
12357
CG2
THR
I
55
18.810
−52.003
−36.869
1.00
62.90
MOL3
C


ATOM
12358
C
THR
I
55
21.491
−50.975
−37.279
1.00
68.03
MOL3
C


ATOM
12359
O
THR
I
55
21.766
−50.431
−36.212
1.00
72.64
MOL3
O


ATOM
12360
N
VAL
I
56
21.423
−50.318
−38.428
1.00
68.68
MOL3
N


ATOM
12361
CA
VAL
I
56
21.721
−48.896
−38.473
1.00
66.68
MOL3
C


ATOM
12362
CB
VAL
I
56
22.607
−48.547
−39.683
1.00
65.22
MOL3
C


ATOM
12363
CG1
VAL
I
56
23.143
−47.126
−39.538
1.00
64.85
MOL3
C


ATOM
12364
CG2
VAL
I
56
23.734
−49.553
−39.818
1.00
70.15
MOL3
C


ATOM
12365
C
VAL
I
56
20.494
−48.006
−38.564
1.00
65.12
MOL3
C


ATOM
12366
O
VAL
I
56
19.517
−48.338
−39.224
1.00
68.43
MOL3
O


ATOM
12367
N
THR
I
57
20.540
−46.873
−37.882
1.00
63.18
MOL3
N


ATOM
12368
CA
THR
I
57
19.450
−45.922
−37.985
1.00
65.41
MOL3
C


ATOM
12369
CB
THR
I
57
18.649
−45.749
−36.682
1.00
64.42
MOL3
C


ATOM
12370
OG1
THR
I
57
19.343
−44.880
−35.778
1.00
62.37
MOL3
O


ATOM
12371
CG2
THR
I
57
18.436
−47.086
−36.043
1.00
67.87
MOL3
C


ATOM
12372
C
THR
I
57
20.100
−44.604
−38.370
1.00
69.15
MOL3
C


ATOM
12373
O
THR
I
57
21.212
−44.273
−37.913
1.00
68.91
MOL3
O


ATOM
12374
N
TRP
I
58
19.421
−43.867
−39.243
1.00
66.81
MOL3
N


ATOM
12375
CA
TRP
I
58
19.950
−42.598
−39.706
1.00
65.75
MOL3
C


ATOM
12376
CB
TRP
I
58
20.240
−42.632
−41.218
1.00
69.27
MOL3
C


ATOM
12377
CG
TRP
I
58
20.671
−41.296
−41.743
1.00
68.80
MOL3
C


ATOM
12378
CD2
TRP
I
58
19.861
−40.368
−42.469
1.00
72.41
MOL3
C


ATOM
12379
CE2
TRP
I
58
20.612
−39.180
−42.610
1.00
73.32
MOL3
C


ATOM
12380
CE3
TRP
I
58
18.570
−40.422
−43.007
1.00
73.79
MOL3
C


ATOM
12381
CD1
TRP
I
58
21.857
−40.659
−41.496
1.00
67.42
MOL3
C


ATOM
12382
NE1
TRP
I
58
21.826
−39.386
−42.008
1.00
72.38
MOL3
N


ATOM
12383
CZ2
TRP
I
58
20.112
−38.056
−43.266
1.00
72.82
MOL3
C


ATOM
12384
CZ3
TRP
I
58
18.076
−39.306
−43.657
1.00
76.30
MOL3
C


ATOM
12385
CH2
TRP
I
58
18.845
−38.139
−43.780
1.00
77.05
MOL3
C


ATOM
12386
C
TRP
I
58
18.999
−41.463
−39.429
1.00
61.07
MOL3
C


ATOM
12387
O
TRP
I
58
17.832
−41.524
−39.787
1.00
60.74
MOL3
O


ATOM
12388
N
ASP
I
59
19.500
−40.431
−38.770
1.00
60.51
MOL3
N


ATOM
12389
CA
ASP
I
59
18.696
−39.254
−38.500
1.00
62.88
MOL3
C


ATOM
12390
CB
ASP
I
59
18.256
−39.172
−37.045
1.00
68.73
MOL3
C


ATOM
12391
CG
ASP
I
59
17.528
−37.871
−36.733
1.00
72.79
MOL3
C


ATOM
12392
OD1
ASP
I
59
16.982
−37.731
−35.617
1.00
72.88
MOL3
O


ATOM
12393
OD2
ASP
I
59
17.507
−36.979
−37.605
1.00
73.48
MOL3
O


ATOM
12394
C
ASP
I
59
19.530
−38.040
−38.834
1.00
69.37
MOL3
C


ATOM
12395
O
ASP
I
59
20.581
−37.792
−38.228
1.00
70.12
MOL3
O


ATOM
12396
N
PRO
I
60
19.053
−37.254
−39.803
1.00
72.10
MOL3
N


ATOM
12397
CD
PRO
I
60
17.643
−37.400
−40.203
1.00
68.92
MOL3
C


ATOM
12398
CA
PRO
I
60
19.614
−36.019
−40.363
1.00
73.74
MOL3
C


ATOM
12399
CB
PRO
I
60
18.524
−35.580
−41.318
1.00
75.30
MOL3
C


ATOM
12400
CG
PRO
I
60
17.280
−35.993
−40.566
1.00
67.02
MOL3
C


ATOM
12401
C
PRO
I
60
19.875
−34.937
−39.323
1.00
74.13
MOL3
C


ATOM
12402
O
PRO
I
60
20.772
−34.097
−39.487
1.00
74.87
MOL3
O


ATOM
12403
N
ASN
I
61
19.055
−34.951
−38.275
1.00
71.15
MOL3
N


ATOM
12404
CA
ASN
I
61
19.146
−33.980
−37.191
1.00
70.87
MOL3
C


ATOM
12405
CB
ASN
I
61
17.750
−33.541
−36.765
1.00
73.60
MOL3
C


ATOM
12406
CG
ASN
I
61
17.078
−32.679
−37.794
1.00
80.65
MOL3
C


ATOM
12407
OD1
ASN
I
61
17.360
−32.791
−38.986
1.00
81.99
MOL3
O


ATOM
12408
ND2
ASN
I
61
16.170
−31.815
−37.346
1.00
85.54
MOL3
N


ATOM
12409
C
ASN
I
61
19.850
−34.551
−35.981
1.00
69.03
MOL3
C


ATOM
12410
O
ASN
I
61
19.536
−34.189
−34.853
1.00
67.81
MOL3
O


ATOM
12411
N
ARG
I
62
20.787
−35.458
−36.206
1.00
69.56
MOL3
N


ATOM
12412
CA
ARG
I
62
21.519
−36.048
−35.102
1.00
69.21
MOL3
C


ATOM
12413
CB
ARG
I
62
20.895
−37.376
−34.682
1.00
74.15
MOL3
C


ATOM
12414
CG
ARG
I
62
21.690
−38.108
−33.600
1.00
76.69
MOL3
C


ATOM
12415
CD
ARG
I
62
21.008
−39.410
−33.214
1.00
75.30
MOL3
C


ATOM
12416
NE
ARG
I
62
20.958
−40.346
−34.329
1.00
71.91
MOL3
N


ATOM
12417
CZ
ARG
I
62
20.201
−41.436
−34.355
1.00
76.00
MOL3
C


ATOM
12418
NH1
ARG
I
62
19.418
−41.727
−33.320
1.00
82.17
MOL3
N


ATOM
12419
NH2
ARG
I
62
20.236
−42.243
−35.410
1.00
76.17
MOL3
N


ATOM
12420
C
ARG
I
62
22.967
−36.269
−35.466
1.00
66.94
MOL3
C


ATOM
12421
O
ARG
I
62
23.287
−36.763
−36.555
1.00
70.53
MOL3
O


ATOM
12422
N
TYR
I
63
23.847
−35.897
−34.552
1.00
59.41
MOL3
N


ATOM
12423
CA
TYR
I
63
25.255
−36.077
−34.802
1.00
60.87
MOL3
C


ATOM
12424
CB
TYR
I
63
25.951
−34.718
−34.900
1.00
64.40
MOL3
C


ATOM
12425
CG
TYR
I
63
27.435
−34.834
−35.112
1.00
60.52
MOL3
C


ATOM
12426
CD1
TYR
I
63
28.307
−34.775
−34.041
1.00
60.25
MOL3
C


ATOM
12427
CE1
TYR
I
63
29.645
−34.968
−34.205
1.00
64.80
MOL3
C


ATOM
12428
CD2
TYR
I
63
27.953
−35.083
−36.368
1.00
61.44
MOL3
C


ATOM
12429
CE2
TYR
I
63
29.298
−35.280
−36.546
1.00
70.48
MOL3
C


ATOM
12430
CZ
TYR
I
63
30.142
−35.226
−35.455
1.00
70.11
MOL3
C


ATOM
12431
OH
TYR
I
63
31.491
−35.467
−35.605
1.00
81.28
MOL3
O


ATOM
12432
C
TYR
I
63
25.851
−36.918
−33.697
1.00
57.17
MOL3
C


ATOM
12433
O
TYR
I
63
25.805
−36.549
−32.529
1.00
59.51
MOL3
O


ATOM
12434
N
PRO
I
64
26.399
−38.081
−34.052
1.00
54.16
MOL3
N


ATOM
12435
CD
PRO
I
64
27.073
−39.001
−33.124
1.00
60.20
MOL3
C


ATOM
12436
CA
PRO
I
64
26.456
−38.585
−35.423
1.00
56.37
MOL3
C


ATOM
12437
CB
PRO
I
64
27.402
−39.777
−35.309
1.00
62.30
MOL3
C


ATOM
12438
CG
PRO
I
64
27.140
−40.277
−33.933
1.00
62.78
MOL3
C


ATOM
12439
C
PRO
I
64
25.081
−38.973
−35.959
1.00
56.35
MOL3
C


ATOM
12440
O
PRO
I
64
24.187
−39.324
−35.189
1.00
47.16
MOL3
O


ATOM
12441
N
SER
I
65
24.925
−38.902
−37.282
1.00
58.87
MOL3
N


ATOM
12442
CA
SER
I
65
23.662
−39.223
−37.935
1.00
58.52
MOL3
C


ATOM
12443
CB
SER
I
65
23.677
−38.729
−39.372
1.00
61.77
MOL3
C


ATOM
12444
OG
SER
I
65
24.803
−39.262
−40.056
1.00
78.46
MOL3
O


ATOM
12445
C
SER
I
65
23.354
−40.710
−37.908
1.00
60.17
MOL3
C


ATOM
12446
O
SER
I
65
22.210
−41.098
−37.696
1.00
61.52
MOL3
O


ATOM
12447
N
GLU
I
66
24.355
−41.552
−38.135
1.00
62.60
MOL3
N


ATOM
12448
CA
GLU
I
66
24.111
−42.987
−38.092
1.00
60.91
MOL3
C


ATOM
12449
CB
GLU
I
66
24.940
−43.722
−39.148
1.00
69.71
MOL3
C


ATOM
12450
CG
GLU
I
66
24.199
−43.996
−40.438
1.00
87.37
MOL3
C


ATOM
12451
CD
GLU
I
66
25.015
−44.826
−41.420
1.00
101.15
MOL3
C


ATOM
12452
OE1
GLU
I
66
24.461
−45.203
−42.482
1.00
106.35
MOL3
O


ATOM
12453
OE2
GLU
I
66
26.207
−45.099
−41.131
1.00
102.75
MOL3
O


ATOM
12454
C
GLU
I
66
24.449
−43.529
−36.715
1.00
57.38
MOL3
C


ATOM
12455
O
GLU
I
66
25.476
−43.172
−36.121
1.00
57.75
MOL3
O


ATOM
12456
N
VAL
I
67
23.562
−44.366
−36.192
1.00
50.57
MOL3
N


ATOM
12457
CA
VAL
I
67
23.791
−44.995
−34.896
1.00
52.97
MOL3
C


ATOM
12458
CB
VAL
I
67
22.824
−44.501
−33.808
1.00
49.35
MOL3
C


ATOM
12459
CG1
VAL
I
67
23.160
−45.182
−32.498
1.00
45.91
MOL3
C


ATOM
12460
CG2
VAL
I
67
22.947
−43.010
−33.634
1.00
51.36
MOL3
C


ATOM
12461
C
VAL
I
67
23.585
−46.489
−35.074
1.00
51.44
MOL3
C


ATOM
12462
O
VAL
I
67
22.486
−46.940
−35.371
1.00
41.82
MOL3
O


ATOM
12463
N
VAL
I
68
24.648
−47.251
−34.878
1.00
52.20
MOL3
N


ATOM
12464
CA
VAL
I
68
24.579
−48.676
−35.072
1.00
52.82
MOL3
C


ATOM
12465
CB
VAL
I
68
25.814
−49.132
−35.834
1.00
54.27
MOL3
C


ATOM
12466
CG1
VAL
I
68
25.583
−50.485
−36.462
1.00
57.06
MOL3
C


ATOM
12467
CG2
VAL
I
68
26.162
−48.097
−36.865
1.00
53.35
MOL3
C


ATOM
12468
C
VAL
I
68
24.478
−49.449
−33.768
1.00
55.29
MOL3
C


ATOM
12469
O
VAL
I
68
25.310
−49.277
−32.867
1.00
57.52
MOL3
O


ATOM
12470
N
GLN
I
69
23.456
−50.305
−33.696
1.00
51.88
MOL3
N


ATOM
12471
CA
GLN
I
69
23.185
−51.160
−32.541
1.00
46.59
MOL3
C


ATOM
12472
CB
GLN
I
69
21.748
−50.962
−32.073
1.00
37.10
MOL3
C


ATOM
12473
CG
GLN
I
69
21.416
−49.586
−31.518
1.00
40.21
MOL3
C


ATOM
12474
CD
GLN
I
69
21.661
−49.476
−30.031
1.00
45.80
MOL3
C


ATOM
12475
OE1
GLN
I
69
21.584
−50.467
−29.305
1.00
62.60
MOL3
O


ATOM
12476
NE2
GLN
I
69
21.930
−48.268
−29.561
1.00
41.98
MOL3
N


ATOM
12477
C
GLN
I
69
23.381
−52.628
−32.929
1.00
48.53
MOL3
C


ATOM
12478
O
GLN
I
69
22.961
−53.053
−34.001
1.00
51.42
MOL3
O


ATOM
12479
N
ALA
I
70
24.012
−53.398
−32.050
1.00
49.34
MOL3
N


ATOM
12480
CA
ALA
I
70
24.258
−54.813
−32.301
1.00
50.49
MOL3
C


ATOM
12481
CB
ALA
I
70
25.625
−55.183
−31.774
1.00
48.62
MOL3
C


ATOM
12482
C
ALA
I
70
23.193
−55.664
−31.614
1.00
53.01
MOL3
C


ATOM
12483
O
ALA
I
70
22.481
−55.171
−30.751
1.00
62.67
MOL3
O


ATOM
12484
N
GLN
I
71
23.088
−56.938
−31.986
1.00
49.41
MOL3
N


ATOM
12485
CA
GLN
I
71
22.113
−57.850
−31.383
1.00
40.42
MOL3
C


ATOM
12486
CB
GLN
I
71
20.849
−57.890
−32.222
1.00
39.93
MOL3
C


ATOM
12487
CG
GLN
I
71
20.362
−56.569
−32.754
1.00
58.72
MOL3
C


ATOM
12488
CD
GLN
I
71
19.086
−56.745
−33.573
1.00
78.54
MOL3
C


ATOM
12489
OE1
GLN
I
71
19.117
−57.265
−34.696
1.00
83.05
MOL3
O


ATOM
12490
NE2
GLN
I
71
17.950
−56.333
−33.002
1.00
85.90
MOL3
N


ATOM
12491
C
GLN
I
71
22.694
−59.258
−31.376
1.00
38.43
MOL3
C


ATOM
12492
O
GLN
I
71
22.920
−59.810
−32.438
1.00
42.21
MOL3
O


ATOM
12493
N
CYS
I
72
22.919
−59.860
−30.213
1.00
33.54
MOL3
N


ATOM
12494
CA
CYS
I
72
23.493
−61.200
−30.200
1.00
36.75
MOL3
C


ATOM
12495
C
CYS
I
72
22.672
−62.169
−31.069
1.00
43.44
MOL3
C


ATOM
12496
O
CYS
I
72
21.465
−62.270
−30.915
1.00
43.06
MOL3
O


ATOM
12497
CB
CYS
I
72
23.594
−61.693
−28.762
1.00
38.34
MOL3
C


ATOM
12498
SG
CYS
I
72
24.419
−60.497
−27.654
1.00
51.35
MOL3
S


ATOM
12499
N
ARG
I
73
23.328
−62.877
−31.988
1.00
51.34
MOL3
N


ATOM
12500
CA
ARG
I
73
22.626
−63.796
−32.875
1.00
52.99
MOL3
C


ATOM
12501
CB
ARG
I
73
23.491
−64.095
−34.099
1.00
53.47
MOL3
C


ATOM
12502
CG
ARG
I
73
23.371
−63.034
−35.193
1.00
60.70
MOL3
C


ATOM
12503
CD
ARG
I
73
24.257
−63.334
−36.405
1.00
74.71
MOL3
C


ATOM
12504
NE
ARG
I
73
23.847
−64.525
−37.149
1.00
86.48
MOL3
N


ATOM
12505
CZ
ARG
I
73
22.843
−64.563
−38.024
1.00
93.95
MOL3
C


ATOM
12506
NH1
ARG
I
73
22.134
−63.468
−38.273
1.00
93.66
MOL3
N


ATOM
12507
NH2
ARG
I
73
22.548
−65.698
−38.654
1.00
97.47
MOL3
N


ATOM
12508
C
ARG
I
73
22.102
−65.096
−32.251
1.00
57.97
MOL3
C


ATOM
12509
O
ARG
I
73
21.099
−65.649
−32.725
1.00
58.89
MOL3
O


ATOM
12510
N
ASN
I
74
22.752
−65.582
−31.195
1.00
59.16
MOL3
N


ATOM
12511
CA
ASN
I
74
22.302
−66.808
−30.534
1.00
61.20
MOL3
C


ATOM
12512
CB
ASN
I
74
23.227
−67.983
−30.874
1.00
63.33
MOL3
C


ATOM
12513
CG
ASN
I
74
23.230
−68.319
−32.355
1.00
71.09
MOL3
C


ATOM
12514
OD1
ASN
I
74
24.001
−67.757
−33.132
1.00
76.52
MOL3
O


ATOM
12515
ND2
ASN
I
74
22.353
−69.233
−32.756
1.00
79.30
MOL3
N


ATOM
12516
C
ASN
I
74
22.258
−66.640
−29.023
1.00
61.32
MOL3
C


ATOM
12517
O
ASN
I
74
22.634
−65.597
−28.500
1.00
63.19
MOL3
O


ATOM
12518
N
LEU
I
75
21.794
−67.660
−28.314
1.00
59.20
MOL3
N


ATOM
12519
CA
LEU
I
75
21.755
−67.563
−26.870
1.00
58.57
MOL3
C


ATOM
12520
CB
LEU
I
75
20.537
−68.281
−26.320
1.00
61.07
MOL3
C


ATOM
12521
CG
LEU
I
75
19.208
−67.574
−26.554
1.00
62.75
MOL3
C


ATOM
12522
CD1
LEU
I
75
18.094
−68.272
−25.784
1.00
63.42
MOL3
C


ATOM
12523
CD2
LEU
I
75
19.336
−66.145
−26.088
1.00
69.62
MOL3
C


ATOM
12524
C
LEU
I
75
23.028
−68.151
−26.284
1.00
65.13
MOL3
C


ATOM
12525
O
LEU
I
75
23.575
−67.620
−25.324
1.00
64.76
MOL3
O


ATOM
12526
N
GLY
I
76
23.502
−69.251
−26.863
1.00
69.53
MOL3
N


ATOM
12527
CA
GLY
I
76
24.730
−69.860
−26.377
1.00
75.95
MOL3
C


ATOM
12528
C
GLY
I
76
25.887
−69.348
−27.218
1.00
78.77
MOL3
C


ATOM
12529
O
GLY
I
76
25.741
−68.340
−27.899
1.00
80.97
MOL3
O


ATOM
12530
N
CYS
I
77
27.037
−70.017
−27.170
1.00
80.93
MOL3
N


ATOM
12531
CA
CYS
I
77
28.182
−69.603
−27.977
1.00
80.29
MOL3
C


ATOM
12532
C
CYS
I
77
28.372
−70.666
−29.036
1.00
82.30
MOL3
C


ATOM
12533
O
CYS
I
77
27.714
−71.702
−29.005
1.00
85.65
MOL3
O


ATOM
12534
CB
CYS
I
77
29.436
−69.457
−27.114
1.00
76.04
MOL3
C


ATOM
12535
SG
CYS
I
77
29.104
−68.363
−25.697
1.00
92.75
MOL3
S


ATOM
12536
N
ILE
I
78
29.269
−70.413
−29.975
1.00
86.64
MOL3
N


ATOM
12537
CA
ILE
I
78
29.518
−71.349
−31.060
1.00
91.28
MOL3
C


ATOM
12538
CB
ILE
I
78
29.297
−70.624
−32.385
1.00
83.06
MOL3
C


ATOM
12539
CG2
ILE
I
78
29.815
−71.450
−33.536
1.00
81.37
MOL3
C


ATOM
12540
CG1
ILE
I
78
27.815
−70.282
−32.515
1.00
75.71
MOL3
C


ATOM
12541
CD1
ILE
I
78
27.472
−69.576
−33.795
1.00
79.68
MOL3
C


ATOM
12542
C
ILE
I
78
30.921
−71.973
−31.023
1.00
100.86
MOL3
C


ATOM
12543
O
ILE
I
78
31.894
−71.298
−30.694
1.00
102.48
MOL3
O


ATOM
12544
N
ASN
I
79
31.018
−73.262
−31.351
1.00
111.20
MOL3
N


ATOM
12545
CA
ASN
I
79
32.303
−73.962
−31.356
1.00
121.64
MOL3
C


ATOM
12546
CB
ASN
I
79
32.139
−75.397
−30.839
1.00
129.98
MOL3
C


ATOM
12547
CG
ASN
I
79
32.170
−75.485
−29.314
1.00
139.44
MOL3
C


ATOM
12548
OD1
ASN
I
79
33.107
−75.005
−28.667
1.00
142.26
MOL3
O


ATOM
12549
ND2
ASN
I
79
31.148
−76.111
−28.737
1.00
142.57
MOL3
N


ATOM
12550
C
ASN
I
79
32.934
−74.003
−32.746
1.00
123.95
MOL3
C


ATOM
12551
O
ASN
I
79
32.720
−73.106
−33.562
1.00
123.14
MOL3
O


ATOM
12552
N
ALA
I
80
33.724
−75.044
−32.997
1.00
127.12
MOL3
N


ATOM
12553
CA
ALA
I
80
34.384
−75.220
−34.285
1.00
131.19
MOL3
C


ATOM
12554
CB
ALA
I
80
35.306
−76.430
−34.238
1.00
130.77
MOL3
C


ATOM
12555
C
ALA
I
80
33.308
−75.412
−35.348
1.00
133.79
MOL3
C


ATOM
12556
O
ALA
I
80
33.173
−76.490
−35.933
1.00
130.81
MOL3
O


ATOM
12557
N
GLN
I
81
32.546
−74.347
−35.582
1.00
137.91
MOL3
N


ATOM
12558
CA
GLN
I
81
31.453
−74.349
−36.545
1.00
141.10
MOL3
C


ATOM
12559
CB
GLN
I
81
31.984
−74.637
−37.957
1.00
144.01
MOL3
C


ATOM
12560
CG
GLN
I
81
32.170
−73.385
−38.827
1.00
146.30
MOL3
C


ATOM
12561
CD
GLN
I
81
33.159
−72.368
−38.252
1.00
148.19
MOL3
C


ATOM
12562
OE1
GLN
I
81
33.254
−71.239
−38.741
1.00
147.01
MOL3
O


ATOM
12563
NE2
GLN
I
81
33.900
−72.767
−37.221
1.00
146.34
MOL3
N


ATOM
12564
C
GLN
I
81
30.416
−75.388
−36.130
1.00
139.64
MOL3
C


ATOM
12565
O
GLN
I
81
29.576
−75.802
−36.927
1.00
140.30
MOL3
O


ATOM
12566
N
GLY
I
82
30.473
−75.783
−34.861
1.00
137.81
MOL3
N


ATOM
12567
CA
GLY
I
82
29.551
−76.784
−34.354
1.00
135.11
MOL3
C


ATOM
12568
C
GLY
I
82
28.377
−76.274
−33.539
1.00
129.16
MOL3
C


ATOM
12569
O
GLY
I
82
28.085
−76.804
−32.471
1.00
130.23
MOL3
O


ATOM
12570
N
LYS
I
83
27.694
−75.258
−34.050
1.00
122.11
MOL3
N


ATOM
12571
CA
LYS
I
83
26.539
−74.677
−33.375
1.00
117.25
MOL3
C


ATOM
12572
CB
LYS
I
83
25.254
−75.436
−33.743
1.00
121.48
MOL3
C


ATOM
12573
CG
LYS
I
83
24.451
−74.758
−34.864
1.00
128.67
MOL3
C


ATOM
12574
CD
LYS
I
83
23.099
−75.426
−35.132
1.00
129.79
MOL3
C


ATOM
12575
CE
LYS
I
83
22.257
−74.616
−36.129
1.00
128.95
MOL3
C


ATOM
12576
NZ
LYS
I
83
21.875
−73.259
−35.619
1.00
124.03
MOL3
N


ATOM
12577
C
LYS
I
83
26.619
−74.518
−31.856
1.00
112.18
MOL3
C


ATOM
12578
O
LYS
I
83
27.612
−74.877
−31.215
1.00
106.52
MOL3
O


ATOM
12579
N
GLU
I
84
25.539
−73.963
−31.308
1.00
108.47
MOL3
N


ATOM
12580
CA
GLU
I
84
25.384
−73.651
−29.889
1.00
102.61
MOL3
C


ATOM
12581
CB
GLU
I
84
23.899
−73.403
−29.565
1.00
104.06
MOL3
C


ATOM
12582
CG
GLU
I
84
23.277
−72.227
−30.315
1.00
110.83
MOL3
C


ATOM
12583
CD
GLU
I
84
21.986
−71.716
−29.684
1.00
115.94
MOL3
C


ATOM
12584
OE1
GLU
I
84
22.013
−71.322
−28.499
1.00
114.28
MOL3
O


ATOM
12585
OE2
GLU
I
84
20.945
−71.696
−30.376
1.00
122.04
MOL3
O


ATOM
12586
C
GLU
I
84
25.945
−74.621
−28.867
1.00
97.07
MOL3
C


ATOM
12587
O
GLU
I
84
26.056
−75.816
−29.115
1.00
101.79
MOL3
O


ATOM
12588
N
ASP
I
85
26.291
−74.075
−27.709
1.00
86.77
MOL3
N


ATOM
12589
CA
ASP
I
85
26.805
−74.843
−26.594
1.00
80.76
MOL3
C


ATOM
12590
CB
ASP
I
85
28.328
−74.821
−26.583
1.00
88.70
MOL3
C


ATOM
12591
CG
ASP
I
85
28.916
−75.526
−25.363
1.00
100.36
MOL3
C


ATOM
12592
OD1
ASP
I
85
30.156
−75.709
−25.315
1.00
105.99
MOL3
O


ATOM
12593
OD2
ASP
I
85
28.141
−75.894
−24.451
1.00
101.76
MOL3
O


ATOM
12594
C
ASP
I
85
26.270
−74.110
−25.389
1.00
76.14
MOL3
C


ATOM
12595
O
ASP
I
85
27.017
−73.467
−24.671
1.00
76.99
MOL3
O


ATOM
12596
N
ILE
I
86
24.969
−74.212
−25.161
1.00
73.75
MOL3
N


ATOM
12597
CA
ILE
I
86
24.359
−73.487
−24.060
1.00
72.05
MOL3
C


ATOM
12598
CB
ILE
I
86
22.878
−73.808
−23.919
1.00
74.81
MOL3
C


ATOM
12599
CG2
ILE
I
86
22.090
−72.495
−24.005
1.00
65.53
MOL3
C


ATOM
12600
CG1
ILE
I
86
22.437
−74.793
−25.013
1.00
78.50
MOL3
C


ATOM
12601
CD1
ILE
I
86
21.899
−74.141
−26.301
1.00
81.27
MOL3
C


ATOM
12602
C
ILE
I
86
25.025
−73.598
−22.698
1.00
71.80
MOL3
C


ATOM
12603
O
ILE
I
86
24.589
−72.958
−21.741
1.00
67.43
MOL3
O


ATOM
12604
N
SER
I
87
26.083
−74.397
−22.610
1.00
73.02
MOL3
N


ATOM
12605
CA
SER
I
87
26.836
−74.532
−21.368
1.00
73.89
MOL3
C


ATOM
12606
CB
SER
I
87
28.135
−75.314
−21.632
1.00
74.46
MOL3
C


ATOM
12607
OG
SER
I
87
28.957
−75.400
−20.477
1.00
81.93
MOL3
O


ATOM
12608
C
SER
I
87
27.163
−73.103
−20.929
1.00
73.31
MOL3
C


ATOM
12609
O
SER
I
87
27.107
−72.767
−19.743
1.00
72.96
MOL3
O


ATOM
12610
N
MET
I
88
27.505
−72.276
−21.919
1.00
74.81
MOL3
N


ATOM
12611
CA
MET
I
88
27.844
−70.857
−21.741
1.00
70.38
MOL3
C


ATOM
12612
CB
MET
I
88
29.305
−70.574
−22.080
1.00
74.17
MOL3
C


ATOM
12613
CG
MET
I
88
30.330
−71.152
−21.147
1.00
81.15
MOL3
C


ATOM
12614
SD
MET
I
88
31.915
−71.043
−21.968
1.00
89.06
MOL3
S


ATOM
12615
CE
MET
I
88
31.469
−71.803
−23.597
1.00
70.24
MOL3
C


ATOM
12616
C
MET
I
88
27.018
−70.075
−22.740
1.00
64.86
MOL3
C


ATOM
12617
O
MET
I
88
26.720
−70.569
−23.825
1.00
63.49
MOL3
O


ATOM
12618
N
ASN
I
89
26.661
−68.848
−22.397
1.00
58.50
MOL3
N


ATOM
12619
CA
ASN
I
89
25.880
−68.057
−23.325
1.00
55.53
MOL3
C


ATOM
12620
CB
ASN
I
89
24.555
−67.628
−22.706
1.00
53.36
MOL3
C


ATOM
12621
CG
ASN
I
89
24.358
−68.176
−21.329
1.00
60.59
MOL3
C


ATOM
12622
OD1
ASN
I
89
24.825
−67.608
−20.328
1.00
66.90
MOL3
O


ATOM
12623
ND2
ASN
I
89
23.668
−69.301
−21.257
1.00
62.81
MOL3
N


ATOM
12624
C
ASN
I
89
26.624
−66.827
−23.783
1.00
53.09
MOL3
C


ATOM
12625
O
ASN
I
89
27.581
−66.389
−23.149
1.00
53.14
MOL3
O


ATOM
12626
N
SER
I
90
26.162
−66.284
−24.902
1.00
49.09
MOL3
N


ATOM
12627
CA
SER
I
90
26.725
−65.083
−25.485
1.00
45.65
MOL3
C


ATOM
12628
CB
SER
I
90
26.618
−65.145
−26.997
1.00
47.24
MOL3
C


ATOM
12629
OG
SER
I
90
25.265
−65.214
−27.378
1.00
52.52
MOL3
O


ATOM
12630
C
SER
I
90
25.903
−63.917
−24.986
1.00
42.91
MOL3
C


ATOM
12631
O
SER
I
90
24.685
−63.965
−25.010
1.00
42.52
MOL3
O


ATOM
12632
N
VAL
I
91
26.563
−62.861
−24.543
1.00
47.63
MOL3
N


ATOM
12633
CA
VAL
I
91
25.847
−61.697
−24.037
1.00
50.80
MOL3
C


ATOM
12634
CB
VAL
I
91
25.992
−61.626
−22.520
1.00
50.09
MOL3
C


ATOM
12635
CG1
VAL
I
91
25.693
−62.988
−21.937
1.00
52.59
MOL3
C


ATOM
12636
CG2
VAL
I
91
27.388
−61.185
−22.150
1.00
49.22
MOL3
C


ATOM
12637
C
VAL
I
91
26.295
−60.369
−24.668
1.00
48.91
MOL3
C


ATOM
12638
O
VAL
I
91
27.444
−60.208
−25.076
1.00
48.59
MOL3
O


ATOM
12639
N
PRO
I
92
25.382
−59.393
−24.738
1.00
47.27
MOL3
N


ATOM
12640
CD
PRO
I
92
24.039
−59.367
−24.130
1.00
50.11
MOL3
C


ATOM
12641
CA
PRO
I
92
25.686
−58.093
−25.320
1.00
47.17
MOL3
C


ATOM
12642
CB
PRO
I
92
24.312
−57.459
−25.445
1.00
43.77
MOL3
C


ATOM
12643
CG
PRO
I
92
23.671
−57.885
−24.194
1.00
41.60
MOL3
C


ATOM
12644
C
PRO
I
92
26.580
−57.252
−24.442
1.00
47.20
MOL3
C


ATOM
12645
O
PRO
I
92
26.537
−57.365
−23.220
1.00
36.30
MOL3
O


ATOM
12646
N
ILE
I
93
27.379
−56.407
−25.092
1.00
54.33
MOL3
N


ATOM
12647
CA
ILE
I
93
28.262
−55.461
−24.416
1.00
58.28
MOL3
C


ATOM
12648
CB
ILE
I
93
29.698
−55.563
−24.892
1.00
59.93
MOL3
C


ATOM
12649
CG2
ILE
I
93
30.502
−54.448
−24.287
1.00
60.89
MOL3
C


ATOM
12650
CG1
ILE
I
93
30.290
−56.893
−24.456
1.00
63.13
MOL3
C


ATOM
12651
CD1
ILE
I
93
31.745
−57.019
−24.789
1.00
73.89
MOL3
C


ATOM
12652
C
ILE
I
93
27.724
−54.087
−24.795
1.00
54.71
MOL3
C


ATOM
12653
O
ILE
I
93
27.652
−53.741
−25.975
1.00
48.66
MOL3
O


ATOM
12654
N
GLN
I
94
27.340
−53.308
−23.794
1.00
50.70
MOL3
N


ATOM
12655
CA
GLN
I
94
26.762
−52.009
−24.069
1.00
54.91
MOL3
C


ATOM
12656
CB
GLN
I
94
25.367
−51.937
−23.464
1.00
50.69
MOL3
C


ATOM
12657
CG
GLN
I
94
24.405
−52.955
−24.040
1.00
49.22
MOL3
C


ATOM
12658
CD
GLN
I
94
23.249
−53.248
−23.107
1.00
50.77
MOL3
C


ATOM
12659
OE1
GLN
I
94
22.247
−53.833
−23.508
1.00
57.54
MOL3
O


ATOM
12660
NE2
GLN
I
94
23.390
−52.854
−21.850
1.00
48.35
MOL3
N


ATOM
12661
C
GLN
I
94
27.598
−50.854
−23.566
1.00
60.57
MOL3
C


ATOM
12662
O
GLN
I
94
28.312
−50.972
−22.573
1.00
69.65
MOL3
O


ATOM
12663
N
GLN
I
95
27.503
−49.730
−24.264
1.00
60.06
MOL3
N


ATOM
12664
CA
GLN
I
95
28.251
−48.539
−23.905
1.00
60.79
MOL3
C


ATOM
12665
CB
GLN
I
95
29.437
−48.361
−24.856
1.00
66.04
MOL3
C


ATOM
12666
CG
GLN
I
95
30.196
−47.060
−24.673
1.00
83.53
MOL3
C


ATOM
12667
CD
GLN
I
95
30.731
−46.903
−23.258
1.00
95.07
MOL3
C


ATOM
12668
OE1
GLN
I
95
31.208
−45.828
−22.868
1.00
96.45
MOL3
O


ATOM
12669
NE2
GLN
I
95
30.658
−47.981
−22.480
1.00
98.63
MOL3
N


ATOM
12670
C
GLN
I
95
27.332
−47.339
−24.011
1.00
61.87
MOL3
C


ATOM
12671
O
GLN
I
95
26.599
−47.206
−24.995
1.00
57.72
MOL3
O


ATOM
12672
N
GLU
I
96
27.349
−46.478
−22.997
1.00
61.98
MOL3
N


ATOM
12673
CA
GLU
I
96
26.510
−45.292
−23.039
1.00
65.81
MOL3
C


ATOM
12674
CB
GLU
I
96
26.145
−44.818
−21.625
1.00
78.65
MOL3
C


ATOM
12675
CG
GLU
I
96
27.317
−44.392
−20.736
1.00
102.84
MOL3
C


ATOM
12676
CD
GLU
I
96
27.760
−42.943
−20.959
1.00
111.84
MOL3
C


ATOM
12677
OE1
GLU
I
96
28.603
−42.446
−20.171
1.00
115.81
MOL3
O


ATOM
12678
OE2
GLU
I
96
27.270
−42.303
−21.918
1.00
114.58
MOL3
O


ATOM
12679
C
GLU
I
96
27.291
−44.234
−23.797
1.00
59.47
MOL3
C


ATOM
12680
O
GLU
I
96
28.472
−44.014
−23.545
1.00
52.75
MOL3
O


ATOM
12681
N
THR
I
97
26.630
−43.600
−24.754
1.00
57.04
MOL3
N


ATOM
12682
CA
THR
I
97
27.271
−42.586
−25.563
1.00
59.66
MOL3
C


ATOM
12683
CB
THR
I
97
27.456
−43.061
−27.012
1.00
63.08
MOL3
C


ATOM
12684
OG1
THR
I
97
27.994
−41.991
−27.807
1.00
75.09
MOL3
O


ATOM
12685
CG2
THR
I
97
26.132
−43.476
−27.600
1.00
50.30
MOL3
C


ATOM
12686
C
THR
I
97
26.451
−41.318
−25.619
1.00
60.19
MOL3
C


ATOM
12687
O
THR
I
97
25.284
−41.305
−25.246
1.00
59.18
MOL3
O


ATOM
12688
N
LEU
I
98
27.074
−40.256
−26.114
1.00
58.80
MOL3
N


ATOM
12689
CA
LEU
I
98
26.417
−38.976
−26.254
1.00
52.73
MOL3
C


ATOM
12690
CB
LEU
I
98
27.294
−37.890
−25.671
1.00
54.84
MOL3
C


ATOM
12691
CG
LEU
I
98
26.509
−36.935
−24.800
1.00
56.72
MOL3
C


ATOM
12692
CD1
LEU
I
98
25.325
−37.702
−24.277
1.00
60.24
MOL3
C


ATOM
12693
CD2
LEU
I
98
27.382
−36.386
−23.660
1.00
47.65
MOL3
C


ATOM
12694
C
LEU
I
98
26.195
−38.698
−27.721
1.00
56.10
MOL3
C


ATOM
12695
O
LEU
I
98
26.981
−39.116
−28.576
1.00
61.32
MOL3
O


ATOM
12696
N
VAL
I
99
25.108
−38.008
−28.016
1.00
55.60
MOL3
N


ATOM
12697
CA
VAL
I
99
24.800
−37.643
−29.393
1.00
59.48
MOL3
C


ATOM
12698
CB
VAL
I
99
23.783
−38.589
−30.029
1.00
52.31
MOL3
C


ATOM
12699
CG1
VAL
I
99
24.341
−39.985
−30.065
1.00
46.88
MOL3
C


ATOM
12700
CG2
VAL
I
99
22.475
−38.512
−29.267
1.00
43.72
MOL3
C


ATOM
12701
C
VAL
I
99
24.180
−36.263
−29.306
1.00
63.19
MOL3
C


ATOM
12702
O
VAL
I
99
23.772
−35.841
−28.229
1.00
64.00
MOL3
O


ATOM
12703
N
VAL
I
100
24.113
−35.544
−30.417
1.00
64.84
MOL3
N


ATOM
12704
CA
VAL
I
100
23.516
−34.230
−30.349
1.00
64.62
MOL3
C


ATOM
12705
CB
VAL
I
100
24.520
−33.140
−30.701
1.00
66.60
MOL3
C


ATOM
12706
CG1
VAL
I
100
23.852
−31.780
−30.594
1.00
59.29
MOL3
C


ATOM
12707
CG2
VAL
I
100
25.724
−33.234
−29.767
1.00
65.89
MOL3
C


ATOM
12708
C
VAL
I
100
22.319
−34.126
−31.259
1.00
69.08
MOL3
C


ATOM
12709
O
VAL
I
100
22.312
−34.691
−32.364
1.00
68.87
MOL3
O


ATOM
12710
N
ARG
I
101
21.295
−33.429
−30.763
1.00
71.73
MOL3
N


ATOM
12711
CA
ARG
I
101
20.058
−33.213
−31.508
1.00
79.13
MOL3
C


ATOM
12712
CB
ARG
I
101
18.830
−33.495
−30.651
1.00
73.61
MOL3
C


ATOM
12713
CG
ARG
I
101
18.430
−34.937
−30.677
1.00
82.98
MOL3
C


ATOM
12714
CD
ARG
I
101
16.944
−35.123
−30.463
1.00
92.97
MOL3
C


ATOM
12715
NE
ARG
I
101
16.550
−36.484
−30.810
1.00
103.33
MOL3
N


ATOM
12716
CZ
ARG
I
101
16.804
−37.055
−31.986
1.00
108.63
MOL3
C


ATOM
12717
NH1
ARG
I
101
17.448
−36.379
−32.931
1.00
110.19
MOL3
N


ATOM
12718
NH2
ARG
I
101
16.426
−38.308
−32.219
1.00
113.00
MOL3
N


ATOM
12719
C
ARG
I
101
19.978
−31.789
−32.004
1.00
84.87
MOL3
C


ATOM
12720
O
ARG
I
101
20.271
−30.854
−31.267
1.00
84.77
MOL3
O


ATOM
12721
N
ARG
I
102
19.580
−31.638
−33.261
1.00
91.94
MOL3
N


ATOM
12722
CA
ARG
I
102
19.451
−30.335
−33.890
1.00
99.79
MOL3
C


ATOM
12723
CB
ARG
I
102
19.955
−30.409
−35.339
1.00
104.81
MOL3
C


ATOM
12724
CG
ARG
I
102
19.914
−29.096
−36.111
1.00
112.01
MOL3
C


ATOM
12725
CD
ARG
I
102
20.666
−29.184
−37.445
1.00
118.63
MOL3
C


ATOM
12726
NE
ARG
I
102
19.903
−29.846
−38.504
1.00
127.04
MOL3
N


ATOM
12727
CZ
ARG
I
102
20.370
−30.068
−39.732
1.00
131.04
MOL3
C


ATOM
12728
NH1
ARG
I
102
21.601
−29.683
−40.051
1.00
133.41
MOL3
N


ATOM
12729
NH2
ARG
I
102
19.609
−30.664
−40.646
1.00
128.01
MOL3
N


ATOM
12730
C
ARG
I
102
17.976
−29.971
−33.864
1.00
105.49
MOL3
C


ATOM
12731
O
ARG
I
102
17.241
−30.310
−34.788
1.00
109.22
MOL3
O


ATOM
12732
N
LYS
I
103
17.545
−29.291
−32.802
1.00
111.48
MOL3
N


ATOM
12733
CA
LYS
I
103
16.146
−28.885
−32.643
1.00
117.54
MOL3
C


ATOM
12734
CB
LYS
I
103
15.833
−28.638
−31.160
1.00
114.22
MOL3
C


ATOM
12735
CG
LYS
I
103
15.448
−29.891
−30.377
1.00
117.65
MOL3
C


ATOM
12736
CD
LYS
I
103
15.551
−29.689
−28.866
1.00
120.97
MOL3
C


ATOM
12737
CE
LYS
I
103
14.681
−28.538
−28.376
1.00
128.40
MOL3
C


ATOM
12738
NZ
LYS
I
103
14.856
−28.264
−26.912
1.00
132.06
MOL3
N


ATOM
12739
C
LYS
I
103
15.766
−27.644
−33.451
1.00
123.80
MOL3
C


ATOM
12740
O
LYS
I
103
16.535
−26.684
−33.532
1.00
123.83
MOL3
O


ATOM
12741
N
HIS
I
104
14.571
−27.673
−34.041
1.00
130.52
MOL3
N


ATOM
12742
CA
HIS
I
104
14.047
−26.564
−34.845
1.00
134.60
MOL3
C


ATOM
12743
CB
HIS
I
104
14.198
−25.242
−34.097
1.00
130.27
MOL3
C


ATOM
12744
CG
HIS
I
104
13.721
−25.292
−32.684
1.00
128.01
MOL3
C


ATOM
12745
CD2
HIS
I
104
12.613
−25.843
−32.136
1.00
128.00
MOL3
C


ATOM
12746
ND1
HIS
I
104
14.426
−24.728
−31.644
1.00
128.90
MOL3
N


ATOM
12747
CE1
HIS
I
104
13.774
−24.931
−30.513
1.00
129.69
MOL3
C


ATOM
12748
NE2
HIS
I
104
12.670
−25.605
−30.784
1.00
129.66
MOL3
N


ATOM
12749
C
HIS
I
104
14.737
−26.432
−36.199
1.00
139.28
MOL3
C


ATOM
12750
O
HIS
I
104
15.706
−27.138
−36.492
1.00
139.83
MOL3
O


ATOM
12751
N
GLN
I
105
14.238
−25.501
−37.011
1.00
142.80
MOL3
N


ATOM
12752
CA
GLN
I
105
14.777
−25.262
−38.347
1.00
145.64
MOL3
C


ATOM
12753
CB
GLN
I
105
13.723
−25.624
−39.406
1.00
147.69
MOL3
C


ATOM
12754
CG
GLN
I
105
13.031
−26.985
−39.232
1.00
151.62
MOL3
C


ATOM
12755
CD
GLN
I
105
11.997
−27.015
−38.106
1.00
152.19
MOL3
C


ATOM
12756
OE1
GLN
I
105
11.128
−26.144
−38.018
1.00
153.16
MOL3
O


ATOM
12757
NE2
GLN
I
105
12.078
−28.035
−37.251
1.00
150.44
MOL3
N


ATOM
12758
C
GLN
I
105
15.187
−23.799
−38.550
1.00
145.76
MOL3
C


ATOM
12759
O
GLN
I
105
14.914
−22.940
−37.708
1.00
145.60
MOL3
O


ATOM
12760
N
GLY
I
106
15.839
−23.529
−39.679
1.00
145.04
MOL3
N


ATOM
12761
CA
GLY
I
106
16.251
−22.174
−40.002
1.00
144.36
MOL3
C


ATOM
12762
C
GLY
I
106
17.161
−21.468
−39.013
1.00
143.06
MOL3
C


ATOM
12763
O
GLY
I
106
18.148
−22.034
−38.552
1.00
142.81
MOL3
O


ATOM
12764
N
CYS
I
107
16.815
−20.221
−38.699
1.00
142.79
MOL3
N


ATOM
12765
CA
CYS
I
107
17.573
−19.367
−37.780
1.00
143.20
MOL3
C


ATOM
12766
C
CYS
I
107
17.387
−19.764
−36.331
1.00
140.21
MOL3
C


ATOM
12767
O
CYS
I
107
18.243
−19.505
−35.482
1.00
138.31
MOL3
O


ATOM
12768
CB
CYS
I
107
17.098
−17.915
−37.891
1.00
148.55
MOL3
C


ATOM
12769
SG
CYS
I
107
17.213
−17.129
−39.526
1.00
155.31
MOL3
S


ATOM
12770
N
SER
I
108
16.234
−20.351
−36.050
1.00
138.28
MOL3
N


ATOM
12771
CA
SER
I
108
15.896
−20.757
−34.694
1.00
138.03
MOL3
C


ATOM
12772
CB
SER
I
108
14.376
−20.692
−34.511
1.00
138.19
MOL3
C


ATOM
12773
OG
SER
I
108
13.704
−21.114
−35.689
1.00
138.08
MOL3
O


ATOM
12774
C
SER
I
108
16.422
−22.147
−34.338
1.00
136.26
MOL3
C


ATOM
12775
O
SER
I
108
15.731
−22.939
−33.695
1.00
137.24
MOL3
O


ATOM
12776
N
VAL
I
109
17.661
−22.422
−34.734
1.00
132.37
MOL3
N


ATOM
12777
CA
VAL
I
109
18.282
−23.717
−34.484
1.00
126.45
MOL3
C


ATOM
12778
CB
VAL
I
109
19.198
−24.112
−35.670
1.00
125.21
MOL3
C


ATOM
12779
CG1
VAL
I
109
20.443
−23.251
−35.675
1.00
126.29
MOL3
C


ATOM
12780
CG2
VAL
I
109
19.562
−25.574
−35.588
1.00
127.65
MOL3
C


ATOM
12781
C
VAL
I
109
19.085
−23.796
−33.179
1.00
123.63
MOL3
C


ATOM
12782
O
VAL
I
109
19.935
−22.946
−32.890
1.00
120.91
MOL3
O


ATOM
12783
N
SER
I
110
18.796
−24.832
−32.395
1.00
119.29
MOL3
N


ATOM
12784
CA
SER
I
110
19.472
−25.071
−31.125
1.00
112.29
MOL3
C


ATOM
12785
CB
SER
I
110
18.498
−24.893
−29.965
1.00
112.58
MOL3
C


ATOM
12786
OG
SER
I
110
17.440
−25.831
−30.066
1.00
113.59
MOL3
O


ATOM
12787
C
SER
I
110
19.986
−26.500
−31.121
1.00
107.33
MOL3
C


ATOM
12788
O
SER
I
110
19.546
−27.326
−31.921
1.00
108.34
MOL3
O


ATOM
12789
N
PHE
I
111
20.911
−26.793
−30.216
1.00
98.83
MOL3
N


ATOM
12790
CA
PHE
I
111
21.464
−28.130
−30.125
1.00
91.59
MOL3
C


ATOM
12791
CB
PHE
I
111
22.898
−28.120
−30.609
1.00
88.41
MOL3
C


ATOM
12792
CG
PHE
I
111
23.027
−27.698
−32.027
1.00
88.39
MOL3
C


ATOM
12793
CD1
PHE
I
111
22.015
−27.971
−32.925
1.00
87.43
MOL3
C


ATOM
12794
CD2
PHE
I
111
24.159
−27.059
−32.478
1.00
91.02
MOL3
C


ATOM
12795
CE1
PHE
I
111
22.124
−27.620
−34.242
1.00
87.09
MOL3
C


ATOM
12796
CE2
PHE
I
111
24.276
−26.703
−33.805
1.00
94.27
MOL3
C


ATOM
12797
CZ
PHE
I
111
23.255
−26.985
−34.688
1.00
92.34
MOL3
C


ATOM
12798
C
PHE
I
111
21.392
−28.668
−28.716
1.00
89.67
MOL3
C


ATOM
12799
O
PHE
I
111
21.721
−27.966
−27.768
1.00
89.13
MOL3
O


ATOM
12800
N
GLN
I
112
20.948
−29.913
−28.576
1.00
88.62
MOL3
N


ATOM
12801
CA
GLN
I
112
20.847
−30.521
−27.257
1.00
85.20
MOL3
C


ATOM
12802
CB
GLN
I
112
19.372
−30.648
−26.857
1.00
82.76
MOL3
C


ATOM
12803
CG
GLN
I
112
19.162
−30.717
−25.349
1.00
88.40
MOL3
C


ATOM
12804
CD
GLN
I
112
17.699
−30.676
−24.935
1.00
88.82
MOL3
C


ATOM
12805
OE1
GLN
I
112
17.387
−30.631
−23.742
1.00
88.63
MOL3
O


ATOM
12806
NE2
GLN
I
112
16.797
−30.693
−25.913
1.00
86.67
MOL3
N


ATOM
12807
C
GLN
I
112
21.569
−31.885
−27.191
1.00
84.79
MOL3
C


ATOM
12808
O
GLN
I
112
21.588
−32.649
−28.169
1.00
86.05
MOL3
O


ATOM
12809
N
LEU
I
113
22.176
−32.165
−26.038
1.00
77.59
MOL3
N


ATOM
12810
CA
LEU
I
113
22.919
−33.406
−25.806
1.00
74.68
MOL3
C


ATOM
12811
CB
LEU
I
113
23.962
−33.178
−24.715
1.00
72.42
MOL3
C


ATOM
12812
CG
LEU
I
113
25.416
−33.002
−25.129
1.00
71.48
MOL3
C


ATOM
12813
CD1
LEU
I
113
25.477
−32.150
−26.365
1.00
73.62
MOL3
C


ATOM
12814
CD2
LEU
I
113
26.203
−32.377
−23.994
1.00
66.43
MOL3
C


ATOM
12815
C
LEU
I
113
22.063
−34.597
−25.384
1.00
74.82
MOL3
C


ATOM
12816
O
LEU
I
113
21.606
−34.647
−24.251
1.00
75.69
MOL3
O


ATOM
12817
N
GLU
I
114
21.864
−35.564
−26.275
1.00
77.60
MOL3
N


ATOM
12818
CA
GLU
I
114
21.078
−36.751
−25.943
1.00
76.36
MOL3
C


ATOM
12819
CB
GLU
I
114
20.248
−37.208
−27.150
1.00
82.69
MOL3
C


ATOM
12820
CG
GLU
I
114
19.266
−38.351
−26.848
1.00
93.78
MOL3
C


ATOM
12821
CD
GLU
I
114
18.228
−38.572
−27.959
1.00
99.06
MOL3
C


ATOM
12822
OE1
GLU
I
114
18.585
−39.083
−29.045
1.00
98.43
MOL3
O


ATOM
12823
OE2
GLU
I
114
17.045
−38.224
−27.741
1.00
103.13
MOL3
O


ATOM
12824
C
GLU
I
114
22.028
−37.864
−25.521
1.00
73.47
MOL3
C


ATOM
12825
O
GLU
I
114
23.185
−37.906
−25.961
1.00
73.93
MOL3
O


ATOM
12826
N
LYS
I
115
21.541
−38.761
−24.670
1.00
66.56
MOL3
N


ATOM
12827
CA
LYS
I
115
22.353
−39.878
−24.195
1.00
65.32
MOL3
C


ATOM
12828
CB
LYS
I
115
22.391
−39.872
−22.669
1.00
60.03
MOL3
C


ATOM
12829
CG
LYS
I
115
23.354
−40.869
−22.059
1.00
68.17
MOL3
C


ATOM
12830
CD
LYS
I
115
24.048
−40.283
−20.821
1.00
73.57
MOL3
C


ATOM
12831
CE
LYS
I
115
25.054
−41.260
−20.196
1.00
76.98
MOL3
C


ATOM
12832
NZ
LYS
I
115
25.885
−40.647
−19.107
1.00
76.99
MOL3
N


ATOM
12833
C
LYS
I
115
21.770
−41.194
−24.700
1.00
65.75
MOL3
C


ATOM
12834
O
LYS
I
115
20.613
−41.495
−24.433
1.00
73.64
MOL3
O


ATOM
12835
N
VAL
I
116
22.541
−41.976
−25.449
1.00
63.54
MOL3
N


ATOM
12836
CA
VAL
I
116
22.005
−43.244
−25.931
1.00
60.63
MOL3
C


ATOM
12837
CB
VAL
I
116
21.817
−43.260
−27.455
1.00
56.29
MOL3
C


ATOM
12838
CG1
VAL
I
116
20.851
−42.186
−27.852
1.00
58.71
MOL3
C


ATOM
12839
CG2
VAL
I
116
23.122
−43.055
−28.150
1.00
61.08
MOL3
C


ATOM
12840
C
VAL
I
116
22.843
−44.434
−25.521
1.00
61.46
MOL3
C


ATOM
12841
O
VAL
I
116
24.073
−44.355
−25.443
1.00
64.32
MOL3
O


ATOM
12842
N
LEU
I
117
22.160
−45.534
−25.230
1.00
59.90
MOL3
N


ATOM
12843
CA
LEU
I
117
22.843
−46.747
−24.827
1.00
59.20
MOL3
C


ATOM
12844
CB
LEU
I
117
22.076
−47.484
−23.743
1.00
59.79
MOL3
C


ATOM
12845
CG
LEU
I
117
23.098
−48.056
−22.763
1.00
64.44
MOL3
C


ATOM
12846
CD1
LEU
I
117
23.577
−46.912
−21.850
1.00
63.43
MOL3
C


ATOM
12847
CD2
LEU
I
117
22.502
−49.200
−21.964
1.00
60.66
MOL3
C


ATOM
12848
C
LEU
I
117
22.952
−47.630
−26.046
1.00
57.49
MOL3
C


ATOM
12849
O
LEU
I
117
21.944
−47.996
−26.653
1.00
55.99
MOL3
O


ATOM
12850
N
VAL
I
118
24.181
−47.982
−26.387
1.00
52.58
MOL3
N


ATOM
12851
CA
VAL
I
118
24.427
−48.784
−27.563
1.00
53.37
MOL3
C


ATOM
12852
CB
VAL
I
118
25.419
−48.063
−28.487
1.00
54.52
MOL3
C


ATOM
12853
CG1
VAL
I
118
25.492
−48.767
−29.825
1.00
60.80
MOL3
C


ATOM
12854
CG2
VAL
I
118
25.032
−46.622
−28.643
1.00
52.59
MOL3
C


ATOM
12855
C
VAL
I
118
25.001
−50.160
−27.289
1.00
53.89
MOL3
C


ATOM
12856
O
VAL
I
118
25.858
−50.346
−26.419
1.00
54.34
MOL3
O


ATOM
12857
N
THR
I
119
24.536
−51.120
−28.067
1.00
51.05
MOL3
N


ATOM
12858
CA
THR
I
119
25.013
−52.472
−27.956
1.00
54.15
MOL3
C


ATOM
12859
CB
THR
I
119
23.935
−53.438
−28.368
1.00
55.88
MOL3
C


ATOM
12860
OG1
THR
I
119
22.716
−53.099
−27.694
1.00
56.94
MOL3
O


ATOM
12861
CG2
THR
I
119
24.356
−54.845
−28.021
1.00
60.72
MOL3
C


ATOM
12862
C
THR
I
119
26.137
−52.552
−28.966
1.00
54.71
MOL3
C


ATOM
12863
O
THR
I
119
25.888
−52.667
−30.167
1.00
56.60
MOL3
O


ATOM
12864
N
VAL
I
120
27.373
−52.488
−28.492
1.00
52.53
MOL3
N


ATOM
12865
CA
VAL
I
120
28.488
−52.538
−29.408
1.00
48.66
MOL3
C


ATOM
12866
CB
VAL
I
120
29.710
−51.959
−28.760
1.00
44.49
MOL3
C


ATOM
12867
CG1
VAL
I
120
30.676
−51.549
−29.819
1.00
56.06
MOL3
C


ATOM
12868
CG2
VAL
I
120
29.325
−50.775
−27.933
1.00
34.75
MOL3
C


ATOM
12869
C
VAL
I
120
28.790
−53.929
−29.967
1.00
52.06
MOL3
C


ATOM
12870
O
VAL
I
120
29.355
−54.041
−31.055
1.00
53.88
MOL3
O


ATOM
12871
N
GLY
I
121
28.400
−54.979
−29.237
1.00
58.06
MOL3
N


ATOM
12872
CA
GLY
I
121
28.622
−56.350
−29.692
1.00
56.05
MOL3
C


ATOM
12873
C
GLY
I
121
28.391
−57.392
−28.610
1.00
53.74
MOL3
C


ATOM
12874
O
GLY
I
121
27.944
−57.068
−27.511
1.00
54.78
MOL3
O


ATOM
12875
N
CYS
I
122
28.702
−58.648
−28.901
1.00
48.59
MOL3
N


ATOM
12876
CA
CYS
I
122
28.511
−59.690
−27.909
1.00
48.40
MOL3
C


ATOM
12877
C
CYS
I
122
29.792
−60.428
−27.578
1.00
50.48
MOL3
C


ATOM
12878
O
CYS
I
122
30.716
−60.498
−28.380
1.00
56.16
MOL3
O


ATOM
12879
CB
CYS
I
122
27.431
−60.652
−28.381
1.00
49.75
MOL3
C


ATOM
12880
SG
CYS
I
122
25.924
−59.722
−28.788
1.00
53.34
MOL3
S


ATOM
12881
N
THR
I
123
29.847
−60.958
−26.369
1.00
50.67
MOL3
N


ATOM
12882
CA
THR
I
123
31.010
−61.679
−25.905
1.00
50.35
MOL3
C


ATOM
12883
CB
THR
I
123
31.755
−60.859
−24.858
1.00
48.34
MOL3
C


ATOM
12884
OG1
THR
I
123
32.900
−61.583
−24.393
1.00
58.31
MOL3
O


ATOM
12885
CG2
THR
I
123
30.845
−60.575
−23.699
1.00
43.06
MOL3
C


ATOM
12886
C
THR
I
123
30.494
−62.953
−25.272
1.00
52.98
MOL3
C


ATOM
12887
O
THR
I
123
29.433
−62.957
−24.659
1.00
49.33
MOL3
O


ATOM
12888
N
CYS
I
124
31.242
−64.038
−25.418
1.00
58.71
MOL3
N


ATOM
12889
CA
CYS
I
124
30.816
−65.302
−24.850
1.00
61.53
MOL3
C


ATOM
12890
C
CYS
I
124
31.202
−65.460
−23.391
1.00
59.84
MOL3
C


ATOM
12891
O
CYS
I
124
32.380
−65.512
−23.071
1.00
63.22
MOL3
O


ATOM
12892
CB
CYS
I
124
31.410
−66.450
−25.631
1.00
66.83
MOL3
C


ATOM
12893
SG
CYS
I
124
30.908
−67.986
−24.839
1.00
78.44
MOL3
S


ATOM
12894
N
VAL
I
125
30.216
−65.547
−22.507
1.00
61.41
MOL3
N


ATOM
12895
CA
VAL
I
125
30.498
−65.695
−21.084
1.00
61.67
MOL3
C


ATOM
12896
CB
VAL
I
125
29.886
−64.548
−20.263
1.00
58.41
MOL3
C


ATOM
12897
CG1
VAL
I
125
30.311
−64.662
−18.819
1.00
61.93
MOL3
C


ATOM
12898
CG2
VAL
I
125
30.320
−63.240
−20.812
1.00
58.88
MOL3
C


ATOM
12899
C
VAL
I
125
29.987
−67.007
−20.491
1.00
62.73
MOL3
C


ATOM
12900
O
VAL
I
125
29.107
−67.670
−21.046
1.00
62.50
MOL3
O


ATOM
12901
N
THR
I
126
30.566
−67.372
−19.356
1.00
61.71
MOL3
N


ATOM
12902
CA
THR
I
126
30.190
−68.573
−18.649
1.00
65.19
MOL3
C


ATOM
12903
CB
THR
I
126
31.439
−69.374
−18.196
1.00
70.00
MOL3
C


ATOM
12904
OG1
THR
I
126
31.059
−70.336
−17.204
1.00
78.86
MOL3
O


ATOM
12905
CG2
THR
I
126
32.493
−68.448
−17.609
1.00
74.14
MOL3
C


ATOM
12906
C
THR
I
126
29.394
−68.127
−17.433
1.00
61.85
MOL3
C


ATOM
12907
O
THR
I
126
29.855
−67.309
−16.639
1.00
58.44
MOL3
O


ATOM
12908
N
PRO
I
127
28.169
−68.642
−17.288
1.00
61.14
MOL3
N


ATOM
12909
CD
PRO
I
127
27.499
−69.689
−18.074
1.00
58.06
MOL3
C


ATOM
12910
CA
PRO
I
127
27.360
−68.252
−16.139
1.00
61.92
MOL3
C


ATOM
12911
CB
PRO
I
127
26.121
−69.131
−16.279
1.00
61.05
MOL3
C


ATOM
12912
CG
PRO
I
127
26.625
−70.320
−17.045
1.00
59.93
MOL3
C


ATOM
12913
C
PRO
I
127
28.122
−68.496
−14.851
1.00
63.96
MOL3
C


ATOM
12914
O
PRO
I
127
29.046
−69.310
−14.813
1.00
63.82
MOL3
O


ATOM
12915
N
VAL
I
128
27.760
−67.765
−13.803
1.00
67.46
MOL3
N


ATOM
12916
CA
VAL
I
128
28.418
−67.942
−12.517
1.00
74.09
MOL3
C


ATOM
12917
CB
VAL
I
128
28.223
−66.690
−11.592
1.00
67.87
MOL3
C


ATOM
12918
CG1
VAL
I
128
26.783
−66.274
−11.554
1.00
69.54
MOL3
C


ATOM
12919
CG2
VAL
I
128
28.694
−66.985
−10.198
1.00
62.25
MOL3
C


ATOM
12920
C
VAL
I
128
27.841
−69.204
−11.880
1.00
84.32
MOL3
C


ATOM
12921
O
VAL
I
128
26.761
−69.187
−11.293
1.00
88.97
MOL3
O


ATOM
12922
N
ILE
I
129
28.555
−70.315
−12.030
1.00
94.72
MOL3
N


ATOM
12923
CA
ILE
I
129
28.099
−71.587
−11.479
1.00
103.85
MOL3
C


ATOM
12924
CB
ILE
I
129
28.755
−72.784
−12.216
1.00
102.83
MOL3
C


ATOM
12925
CG2
ILE
I
129
28.240
−74.096
−11.640
1.00
102.03
MOL3
C


ATOM
12926
CG1
ILE
I
129
28.453
−72.704
−13.721
1.00
103.88
MOL3
C


ATOM
12927
CD1
ILE
I
129
29.165
−73.757
−14.581
1.00
99.35
MOL3
C


ATOM
12928
C
ILE
I
129
28.439
−71.665
−9.995
1.00
111.48
MOL3
C


ATOM
12929
O
ILE
I
129
27.850
−72.457
−9.256
1.00
113.95
MOL3
O


ATOM
12930
N
HIS
I
130
29.373
−70.817
−9.566
1.00
118.09
MOL3
N


ATOM
12931
CA
HIS
I
130
29.833
−70.772
−8.179
1.00
123.91
MOL3
C


ATOM
12932
CB
HIS
I
130
30.581
−69.464
−7.923
1.00
124.74
MOL3
C


ATOM
12933
CG
HIS
I
130
31.614
−69.160
−8.961
1.00
125.86
MOL3
C


ATOM
12934
CD2
HIS
I
130
32.190
−67.994
−9.336
1.00
126.62
MOL3
C


ATOM
12935
ND1
HIS
I
130
32.167
−70.136
−9.763
1.00
125.37
MOL3
N


ATOM
12936
CE1
HIS
I
130
33.036
−69.583
−10.589
1.00
127.54
MOL3
C


ATOM
12937
NE2
HIS
I
130
33.069
−68.284
−10.351
1.00
129.23
MOL3
N


ATOM
12938
C
HIS
I
130
28.733
−70.954
−7.144
1.00
127.61
MOL3
C


ATOM
12939
O
HIS
I
130
28.085
−69.987
−6.725
1.00
123.05
MOL3
O


ATOM
12940
N
HIS
I
131
28.554
−72.215
−6.744
1.00
134.09
MOL3
N


ATOM
12941
CA
HIS
I
131
27.558
−72.646
−5.761
1.00
139.89
MOL3
C


ATOM
12942
CB
HIS
I
131
28.219
−72.781
−4.381
1.00
142.14
MOL3
C


ATOM
12943
CG
HIS
I
131
27.313
−73.340
−3.326
1.00
146.96
MOL3
C


ATOM
12944
CD2
HIS
I
131
27.059
−72.932
−2.060
1.00
148.14
MOL3
C


ATOM
12945
ND1
HIS
I
131
26.543
−74.466
−3.527
1.00
148.76
MOL3
N


ATOM
12946
CE1
HIS
I
131
25.854
−74.728
−2.430
1.00
148.98
MOL3
C


ATOM
12947
NE2
HIS
I
131
26.149
−73.812
−1.525
1.00
149.64
MOL3
N


ATOM
12948
C
HIS
I
131
26.328
−71.737
−5.674
1.00
141.32
MOL3
C


ATOM
12949
O
HIS
I
131
25.507
−71.683
−6.597
1.00
141.72
MOL3
O


ATOM
12950
N
VAL
I
132
26.201
−71.037
−4.552
1.00
139.78
MOL3
N


ATOM
12951
CA
VAL
I
132
25.090
−70.126
−4.335
1.00
137.25
MOL3
C


ATOM
12952
CB
VAL
I
132
24.201
−70.599
−3.158
1.00
136.71
MOL3
C


ATOM
12953
CG1
VAL
I
132
23.127
−69.569
−2.861
1.00
136.10
MOL3
C


ATOM
12954
CG2
VAL
I
132
23.550
−71.934
−3.507
1.00
135.48
MOL3
C


ATOM
12955
C
VAL
I
132
25.675
−68.750
−4.041
1.00
136.90
MOL3
C


ATOM
12956
O
VAL
I
132
25.031
−67.730
−4.281
1.00
140.65
MOL3
O


ATOM
12957
N
GLN
I
133
26.904
−68.727
−3.528
1.00
134.50
MOL3
N


ATOM
12958
CA
GLN
I
133
27.590
−67.470
−3.236
1.00
131.12
MOL3
C


ATOM
12959
CB
GLN
I
133
28.826
−67.713
−2.347
1.00
127.09
MOL3
C


ATOM
12960
CG
GLN
I
133
29.634
−68.970
−2.689
1.00
122.98
MOL3
C


ATOM
12961
CD
GLN
I
133
31.021
−68.986
−2.056
1.00
118.67
MOL3
C


ATOM
12962
OE1
GLN
I
133
31.950
−68.339
−2.548
1.00
114.83
MOL3
O


ATOM
12963
NE2
GLN
I
133
31.165
−69.724
−0.956
1.00
114.69
MOL3
N


ATOM
12964
C
GLN
I
133
28.006
−66.794
−4.551
1.00
131.31
MOL3
C


ATOM
12965
O
GLN
I
133
27.812
−65.561
−4.667
1.00
130.65
MOL3
O


ATOM
12966
OXT
GLN
I
133
28.520
−67.505
−5.451
1.00
129.17
MOL3
O


END









In further aspect there is provided a crystal structure comprising an epitope as defined herein.
Also provided is a method of generating a three dimensional computer representation employing 10, 20, 30, 40, 50, 60, 70, 80, 90 or 100% of co-ordinates listed in Table 1.
In one embodiment there is provided a machine readable mediume having stored thereon data comprising 10, 20, 30, 40, 50, 60, 70, 80, 90 or 100% of co-ordinates listed in Table 1.
It will of course be understood that the present invention has been described by way of example only, is in no way meant to be limiting, and that modifications of detail can be made within the scope of the claims hereinafter. Preferred features of each embodiment of the invention are as for each of the other embodiments mutatis mutandis. All publications, including but not limited to patents and patent applications, cited in this specification are herein incorporated by reference as if each individual publication were specifically and individually indicated to be incorporated by reference herein as though fully set forth.

## Claims

1. A method of treating inflammation associated with an IL-17A mediated pathological condition in a mammal comprising the step of administering to the mammal an effective amount of a pharmaceutical composition comprising a monoclonal antibody that specifically binds an epitope of human IL-17A, wherein the epitope comprises residues TYR44, ASN45, TRP51, ASN52 and ASP84 of SEQ ID NO: 21, and wherein the monoclonal antibody additionally binds human IL-17F.

2. A method of treating inflammation associated with an IL-17A mediated pathological condition in a mammal comprising administering to the mammal an effective amount of a pharmaceutical composition comprising a chimeric or humanized antibody that specifically binds an epitope of human IL-17A, wherein the epitope comprises residues TYR44, ASN45, TRP51, ASN52, and ASP84 of SEQ ID NO: 21, and wherein the chimeric or humanized antibody additionally binds human IL-17F.

3. The method of claim 2, wherein the epitope further comprises one or more of the residues selected from the group consisting of SER41, ARG46, HIS54, ARG72, HIS73, HIS86, VAL128, HIS129 and VAL131 of SEQ ID NO: 21.

4. The method of claim 2, wherein the epitope does not comprise one or more of the amino acid residues selected from the group consisting of ASP80, GLY81 and ASN82 of SEQ ID NO:21.

5. The method of claim 2, wherein the antibody has a binding affinity for human IL-17A of better than 500 pM.

6. The method of claim 2, wherein the pharmaceutical composition further comprises one or more of pharmaceutically acceptable excipients, diluents or carriers.

7. The method of claim 2, wherein inflammation associated with an IL-17A mediated pathological condition is reduced, wherein the IL-17A mediated pathological condition is selected from the group consisting of arthritis, rheumatoid arthritis, asthma, pelvic inflammatory disease, Crohn's disease, inflammatory bowel disease, ulcerative colitis, Peyronie's disease, coeliac disease, gallbladder disease, Pilonidal disease, peritonitis, psoriasis, vasculitis, surgical adhesions, stroke, Type I Diabetes, lyme arthritis, multiple sclerosis, Guillain-Barr syndrome, pancreatitis, trauma associated with surgery, graft-versus-host disease, transplant rejection, myocardial-infarction, atherosclerosis, intravascular coagulation, bone resorption, osteoporosis, periodontitis, hypochlorhydia, pain, inflammatory disease and autoimmune disease.