PT2294083E - Epitopos de il-17a e il-17f e anticorpos específicos contra os mesmos - Google Patents

Description

DESCRIÇÃO

"EPITOPOS DE IL-17A E IL-17F E ANTICORPOS ESPECÍFICOS CONTRA OS MESMOS" A presente invenção refere-se a epitopos neutra-lizantes de IL-17A e IL-17F e a anticorpos que se ligam a estes epitopos. A presente invenção também se refere às utilizações terapêuticas das moléculas de anticorpo e métodos para a sua produção A interleuquina 17 (IL-17), também conhecida como CTLA-8 ou IL-17A, é uma citoquina pro-inflamatória que estimula a secreção de um amplo intervalo de outras citoquinas de várias células não-imunitárias. A IL-17A é capaz de induzir a secreção de IL-6, IL-8, PGE2, MCP-1 e G- CSF por células aderentes como fibroblastos, querati-nócitos, células epiteliais e endoteliais e é também capaz de induzir a expressão de ICAM-1 à superfície, proliferação de células T, e crescimento e diferenciação dos progenitores de CD34+ humanos em neutrófilos quando cocultivados na presença de fibroblastos irradiados (Fossiez et ai., 1998, Int. Rev. Immunol. 16, 541-551). IL-17A é predominan temente produzida por células T de memória ativadas e atua por ligação a um recetor à superfície celular distribuída de forma ubíqua (IL-17R) (Yao et ai., 1997, Citokine, 9, 794-800). Pode também atuar através da ligação a um complexo de IL-17RA e IL-17RC (Toy et al. , 2006, J.

Immunol. 177(11); 36-39) . As células T produtoras de IL-17 denominadas 'células TH17' foram implicados na patogénese de certos cancros (Weaver et al., 2006, Immunity, 24, 677- 688; Langowski et al., 2006, 442, 461-465; Iwakura e Ishigame, 2006, J. Clin. Invest. 116, 5, 1218-1222).

Foram identificados vários dos homólogos de IL-17 que têm papéis semelhantes e distintos na regulação de respostas inflamatórias. Para uma revisão de citoquina IL-17/famílias do recetor ver Dumont, 2003, Expert Opin. Ther. Patents, 13, 287-303. Um destes homólogos é a IL-17F, também conhecida como IL-24 e ML-1, que é cerca de 55% idêntica a IL-17A e pensa-se que partilha os mesmos recetores de IL-17A (Rolls e 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) . IL-17A e IL-17F podem formar proteínas homo-diméricas e heterodiméricas, todas produzidas por células T CD4+ ativadas humanas (Wright et al., 2007, J Biol Chem. 282 (18), 13447-13455). A IL-17 pode contribuir para várias doenças mediadas por respostas imunitárias anormais, tais como artrite reumatóide e inflamação das vias aéreas, assim como rejeição de órgão transplantado e imunidade antitumoral. Os inibidores da atividade de IL-17 são bem conhecidas na técnica por exemplo um IL-17R de murino:proteína de fusão com Fc humano, um IL-17R de murino solúvel e um anticorpo monoclonal anti-IL-17 foram utilizados para demonstrar o papel de IL-17 em vários modelos de artrite reumatóide (Lubberts et al. , J. Immunol. 2001,167, 1004-1013; Chabaud et al., Arthritis Res. 2001, 3, 168-177). Adicionalmente, os anticorpos policlonais neutralizantes foram utilizados para reduzir formação de adesão peritoneal (Chung et al., 2002, J. Exp. Med., 195, 1471-1478). Os anticorpos anti-IL-17A humana derivados de rato foram descritos em W004/106377. Um anticorpo anti-ILl7A humanizado com uma afinidade de cerca de 220 pM foi descrito em W02006/054059. Um anticorpo monoclonal anti-IL-17A totalmente humano com uma afinidade de cerca de 188 pM foi descrito em W02006/013107. O Pedido de Patente Internacional W02008/001063 descreve um anticorpo anti-IL-17A neutralizante com elevada afinidade, CA048_497. Outros anticorpos neutralizantes que se ligam a IL-17A foram descritos em W02007/070750 e W02007/149032 .

Os anticorpos que que se ligam aos heterodímeros IL-17F e IL-17A/IL-17F foram descritos em W02006/088833. Anticorpos que que se ligam especificamente ao heterodímero IL-17A/IL-17F foram descritos em W02005/010044.

O antagonismo de IL-17F foi associado com a proteção contra asma (Kawaguchi et al. , 2006, J.Allergy Clin. Immunol. 117(4); 795-801) e pensa-se que a IL-17F também desempenha um papel na patologia da artrite (Lubberts 2003, Current Opinion in Investigational Drugs, 4 (5), 572-577) .

De acordo com o exposto, os antagonistas duplos de IL-17A e IL-17F podem ser mais eficazes do que um único antagonista no tratamento de doenças mediadas por IL-17. Os anticorpos que se ligam a IL-17A e IL-17F foram descritos em W02007/106769 . O pedido de patente internacional W02008047134 (data de arquivo internacional de 18 de Outubro de 2007) descreve um anticorpo com elevada afinidade, CA048_496 que se liga a IL-17A humana, IL-17F e heterodímero IL-17A/F, cuja sequência é aqui proporcionada a seguir. A presente invenção proporciona novos epitopos neutralizantes em IL-17A e IL-17F e anticorpos que se ligam a, e/ou interagem com, esses epitopos.

Numa forma de realização, a presente invenção proporciona um epitopo neutralizante de IL-17A que compreende ou consiste em um ou mais dos resíduos selecionados a partir do grupo consistindo em SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 e VALI31 da IL-17A humana (SEQ ID NO:21) .

Numa forma de realização, o epitopo neutralizante proporcionado pela presente invenção não compreende um ou mais resíduos de aminoácidos selecionados a partir do grupo consistindo em ASP80, GLY81 e ASN82 de IL-17A humana (SEQ ID NO:21). A presente invenção também proporciona um novo epitopo neutralizante da IL-17F humana (SEQ ID NO:22) que compreende ou consiste em resíduos: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, VAL91, PR092, GLN94, THR126, PR0127, VAL128. A presente invenção também proporciona um novo epitopo neutralizante da IL-17F humana (SEQ ID NO:22) que compreende ou consiste nos seguintes resíduos: SER39, MET40, SER41, ARG42, ARG47, ASN53, CYS72, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, SER90, VAL91, PR092, GLN94, THRU 9, CYS122, VAL125, THR126, PR012 7, VALI2 8.

Numa forma de realização o epitopo neutralizante da IL-17F humana (SEQ ID NO:22) compreende ainda ou consiste ainda num ou mais e.g. três ou quatro dos seguintes resíduos: GLN71, CYS72, ILE86, ASN89, SER90 e VAL128 por exemplo de uma primeira cadeia num dímero ILl7f.

Numa forma de realização o epitopo neutralizante da IL-17F humana (SEQ ID NO:22) compreende ainda ou consiste ainda num resíduo: ARG47 por exemplo de uma segunda cadeia de dímero ILl7f.

Numa forma de realização o epitopo neutralizante da IL-17F humana (SEQ ID NO:22) compreende ainda ou consiste ainda num ou mais e.g. três ou quatro dos seguintes resíduos: ARG37, SER39, SER41 e ARG47 por exemplo de uma segunda cadeia num dímero ILl7f.

Numa forma de realização o epitopo neutralizante da IL-17F humana (SEQ ID NO:22) compreende ainda ou consiste ainda num ou mais e.g. três ou quatro dos seguintes resíduos: ASN33, GLN36, ARG37, SER39, SER41, ARG42, ILE44 e ARG47 por exemplo de uma segunda cadeia num dímero ILl7f.

Numa forma de realização o epitopo neutralizante de IL-17F compreende ainda um ou mais dos seguintes resíduos: ILE129, HIS130, H131, V132, Q133.

Numa forma de realização é proporcionado um ou mais epitopos neutralizantes da IL-17F humana (SEQ ID NO :22) cada um independentemente compreende ou consiste nos aminoácidos V33 a V38 inclusive e/ou V87 a Q94 inclusive.

Numa forma de realização o epitopo é definido como resíduos de aminoácidos localizados em 4 Á, 3,5 Á ou 3,0 Â de uma entidade de ligação, tal como um anticorpo ou fragmento.

Também são proporcionados fragmentos epitópicos de IL-17A que podem ser utilizados, se necessário, como um imunogénico para obter anticorpos neutralizantes que se ligam ao epitopo neutralizante de IL-17A. Por exemplo, fragmentos epitópicos compreendendo um ou mais residuos de aminoácidos da IL-17A aqui proporcionados acima, podem ser utilizados como um imunogénico. São também proporcionados fragmentos epitópicos de IL-17F que podem ser utilizados, se necessário, como um imunogénico para obter anticorpos neutralizantes que se ligam ao epitopo neutralizante de IL-17F. Por exemplo fragmentos epitópicos compreendendo um ou mais residuos de aminoácidos de IL-17F aqui proporcionados acima, podem ser utilizados como um imunogénio. A presente invenção também proporciona anticorpos que se ligam a um epitopo neutralizante proporcionado pela presente invenção. Deverá ser considerado que um anticorpo pode interagir diretamente e.g. por ligação direta.

Os residuos em domínios variáveis do anticorpo são convencionalmente numerados de acordo com um sistema idealizado por Rabat et al. Este sistema é apresentado em Rabat et al., 1987, em Sequences of Proteins of Immunological Interest, US Department of Health and Human Services, NIH, USA (daqui em diante "Rabat et al. (supra)"). Este sistema de numeração é utilizado na presente especificação exceto quando indicado o contrário.

As designações de resíduo de Rabat nem sempre correspondem diretamente à numeração linear dos resíduos de aminoácidos. A sequência de aminoácidos linear atual pode conter menos ou mais aminoácidos do que a numeração restrita de Kabat correspondente a um encurtamento, ou inserção, de um componente estrutural, ou estrutura ou região determinante de complementaridade (CDR), da estrutura básica do domínio variável. A correta numeração de Kabat dos resíduos pode ser determinada por um determinado anticorpo pelo alinhamento de resíduos de homologia na sequência do anticorpo com uma sequência numerada de Kabat "convencional" .

As CDRs do domínio variável da cadeia pesada estão localizadas nos resíduos 31-35 (CDR-Hl), resíduos 50-65 (CDR-H2) e resíduos 95-102 (CDR-H3) de acordo com o sistema de numeração de Kabat. Contudo, de acordo com Chothia (Chothia, C. e Lesk, A.M. J. Mol. Biol., 196, 901-917 (1987)), a ansa equivalente a CDR-Hl estende-se do resíduo 26 ao resíduo 32. Deste modo 'CDR-Hl', como aqui utilizado, compreende os resíduos 26 até 35, como descrito por uma combinação do sistema de numeração de Kabat e definição de ansa de topológica de Chothia.

As CDRs do domínio variável da cadeia leve estão localizadas nos resíduos 24-34 (CDR-Ll), resíduos 50-56 (CDR-L2) e resíduos 89-97 (CDR-L3) de acordo com o sistema de numeração de Kabat.

Numa forma de realização preferida os anticorpos da presente invenção ligam-se especificamente a IL-17A e IL-17F. Ligação especifica significa que os anticorpos têm uma maior afinidade para os polipéptidos de IL-17A e IL-17F (incluindo o heterodímero IL-17A e IL-17F) do que para outros polipéptidos. De um modo preferido, os polipéptidos de IL-17A e IL-17F são humanos. Numa forma de realização o anticorpo também se liga a IL-17A de cinomolgo e/ou IL-17F.

Quando um anticorpo da presente invenção se liga a IL-17A humana e IL-17F humana o anticorpo não é um anticorpo compreendendo a sequência dada na SEQ ID N0:1 para CDR-Hl, a sequência dada na SEQ ID NO:2 para a CDR-H2, a sequência dada na SEQ ID NO: 3 para CDR-H3, a sequência dada na SEQ ID NO:4 para CDR-Ll, a sequência dada na SEQ ID NO: 5 para CDR-L2 e a sequência dada na SEQ ID NO: 6 para CDR-L3.

Como aqui utilizado, o termo 'anticorpo neutra-lizante' descreve um anticorpo que é capaz de neutralizar a atividade de sinalização biológica de IL-17A e/ou IL17F e/ou heterodímero IL-17A/F, por exemplo bloqueando a ligação de IL-17A e/ou IL17F a um ou mais dos seus recetores e bloqueando a ligação do heterodímero IL-17A e IL-17F a um ou mais dos seus recetores. Será considerado que o termo 'neutralizante' como aqui utilizado refere-se a uma redução na atividade de sinalização biológica que pode ser parcial ou completa. Além disso, deverá ser considerado que a extensão da neutralização da atividade de IL-17A e IL-17F por um anticorpo que se liga a IL-17A e IL-17F pode ser a mesma ou diferente. Numa forma de realização a extensão da neutralização da atividade do heterodimero IL-17A e IL-17F pode ser a mesma ou diferente como a extensão da neutralização da atividade de IL-17A ou IL-17F.

Numa forma de realização a invenção proporciona anticorpos que se ligam a, e/ou interagem com, um epitopo neutralizante de IL-17A proporcionado pela presente invenção.

Numa forma de realização, a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17A humana que se liga a um epitopo da IL-17A humana que compreende ou consiste em um ou mais dos resíduos selecionados a partir do grupo consistindo em SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VALI2 8, HIS129 e VAL131 da IL-17A humana (SEQ ID NO :21) .

Numa forma de realização um anticorpo da presente invenção não se liga a um ou mais e. g dois ou mais dos resíduos de aminoácidos selecionados a partir do grupo consistindo em ASP80, GLY81 e ASN82 da IL-17A humana (SEQ ID NO:21).

Numa forma de realização um anticorpo da presente invenção não se liga a um ou mais resíduos de aminoácidos selecionados a partir do grupo consistindo em ASP80, GLY81, ASN82 e VAL83 de IL-17A humana (SEQ ID N0:21).

Numa forma de realização um anticorpo da presente invenção não se liga a nenhum dos seguintes resíduos de aminoácidos, ASP80, GLY81 e ASN82 da IL-17A humana (SEQ ID NO :21) .

Numa forma de realização a invenção proporciona anticorpos que se ligam a, e/ou interagem com, um epitopo neutralizante de IL-17F proporcionado pela presente invenção.

De acordo com o exposto, numa forma de realização a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17F humana que se liga a um epitopo da IL-17F humana compreendendo um ou mais e.g. três ou mais, e.g. cinco ou mais, e.g. dez ou mais dos seguintes resíduos: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, VAL91, PRO92, GLN94, THR126, PR0127, VAL128 de SEQ ID NO:22 (IL-17F).

Numa forma de realização a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17F humana que se liga a um epitopo da IL-17F humana numa ou mais das seguintes regiões: (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, MET8 8, ASN89, SER90, VAL91, PR092) (vi) 94 (GLN94) (vii) 119 (THR119) (viii) 122 (CYS122) (ix) 125-128 (VAL125, THR126, PR0127, VAL128).

Numa forma de realização um anticorpo da presente invenção liga-se a IL-17A humana e IL-17F humana.

Numa forma de realização um anticorpo da presente invenção liga-se ao heterodimero IL-17A/F humanas.

Numa forma de realização, um anticorpo da presente invenção liga-se a IL-17A humana e ao heterodimero IL-17A/F humanas. Numa forma de realização um anticorpo da presente invenção liga-se a IL-17F humana e ao heterodimero IL-17A/F humanas. Numa forma de realização preferida, um anticorpo da presente invenção liga-se a IL-17A humana, IL-17F humana e heterodimero IL-17A/F humanas.

Numa forma de realização a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17A humana e IL-17F humana que se liga a um epitopo de IL-17A humana compreendendo ASN52 e ASP84 de SEQ ID N0:21 (IL-17A) e opcionalmente um ou mais resíduos de aminoácidos selecionados a partir do grupo consistindo em SER41, TYR44, ASN45, ARG46, TRP51, HIS54, ARG72, HIS73, HIS86, VAL128, HIS129 e VAL131 em que o anticorpo não é um anticorpo compreendendo a sequência dada na SEQ ID N0:1 para CDR-Hl, a sequência dada na SEQ ID NO: 2 para CDR-H2, a sequência dada na SEQ ID NO:3 para CDR-H3, a sequência dada na SEQ ID NO:4 para CDR-Ll, a sequência dada na SEQ ID NO:5 para CDR-L2 e a sequência dada na SEQ ID NO:6 para CDR-L3.

Numa forma de realização a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17A humana e IL-17F que se liga a um epitopo de IL-17F humana compreendendo um ou mais resíduos de aminoácidos selecionados a partir do grupo consistindo em SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, VAL91, PR092,

GLN94, THR126, PR0127 e VAL128 de IL-17F humana (SEQ ID NO :22) em que o anticorpo não é um anticorpo compreendendo a sequência dada na SEQ ID N0:1 para CDR-Hl, a sequência dada na SEQ ID NO: 2 para CDR -H2, a sequência dada na SEQ ID NO: 3 para CDR-H3, a sequência dada na SEQ ID NO: 4 para CDR-Ll, a sequência dada na SEQ ID NO: 5 para CDR-L2 e a sequência dada na SEQ ID NO:6 para CDR-L3.

Numa forma de realização a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17A humana e IL-17F que se liga a um epitopo de IL-17F humana numa ou mais das seguintes regiões: 1. (i) 39-42 (SER39, MET40, SER41, ARG42) 2. (ii) 47 (ARG47) 3. (iii) 53 (ASN53) 4. (iv) 72-75 (CYS72, ARG73, ASN74, LEU75) 5. (v) 83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PR092) 6. (vi) 94 (GLN94) 7. (vii) 119 (THR119) 8. (viii) 122 (CYS122) 9. (ix) 125-128 (VAL125, THR126, PR0127, VAL128). em que o anticorpo não é um anticorpo compreendendo a sequência dada na SEQ ID NO: 1 para CDR-Hl, a sequência dada na SEQ ID NO:2 para CDR-H2, a sequência dada na SEQ ID NO:3 para CDR-H3, a sequência dada na SEQ ID NO:4 para CDR-Ll, a sequência dada na SEQ ID NO: 5 para CDR-L2 e a sequência dada na SEQ ID NO:6 para CDR-L3.

Numa forma de realização a presente invenção proporciona um anticorpo neutralizante que se liga a IL-17A humana e IL-17F que se liga a um epitopo da IL-17A humana compreendendo um ou mais dos aminoácidos selecionados a partir do grupo consistindo em SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 e VAL131 de IL-17A humana (SEQ ID N0:21) e que se liga a um epitopo de IL-17F humana compreendendo um ou mais resíduos de aminoácidos selecionados a partir do grupo consistindo em SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, VAL91, PR092, GLN94, THR126, PR0127 e VAL128 da IL-17F humana (SEQ ID NO:22) em que o anticorpo não é um anticorpo compreendendo a sequência dada na SEQ ID N0:1 para CDR-Hl, a sequência dada na SEQ ID NO:2 para CDR-H2, a sequência dada na SEQ ID NO:3 para CDR-H3, a sequência dada na SEQ ID NO:4 para CDR-Ll, a sequência dada na SEQ ID NO:5 para CDR-L2 e a sequência dada na SEQ ID NO:6 para CDR-L3.

Numa forma de realização um anticorpo da presente invenção que é capaz de ligação a IL-17A e IL-17F é capaz de neutralizar a atividade de ambas as isoformas de IL-17. Em particular, numa forma de realização, um anticorpo da presente invenção é capaz de se ligar especificamente a IL-17A e IL-17F i. e. o anticorpo não se liga a ouras isoformas de IL-17. De um modo preferido, um anticorpo da presente invenção também se liga ao heterodímero IL-17A e IL-17F. De um modo preferido, um anticorpo da presente invenção neutraliza a atividade de ambas as IL-17A e IL-17F. Numa forma de realização um anticorpo da presente invenção também neutraliza a atividade do heterodímero de IL-17A e IL-17F. Os anticorpos proporcionados por este aspeto da presente invenção têm deste modo a propriedade vantajosa de que podem inibir a atividade biológica de IL-17A e IL-17F. De acordo com o exposto, a presente invenção também proporciona a utilização destes anticorpos no tratamento de e/ou profilaxia de uma doença mediada por cada uma de IL-17A ou IL-17F ou ambas tal como a doença autoimunitária ou inflamatória ou cancro.

Os polipéptidos IL-17A ou IL-17F ou uma mistura das duas ou células que expressam um ou ambos dos referidos polipéptidos podem ser utilizados para produzir anticorpos que reconhecem especificamente um ou ambos os polipéptidos. Os polipéptidos de IL-17 (IL-17A e IL-17F) podem ser polipéptidos 'maduros' ou fragmentos biologicamente ativos ou seus derivados que incluem, de modo preferido, o sitio de ligação do recetor. De um modo preferido, os polipéptidos de IL-17 são os polipéptidos maduros proporcionados na SEQ ID N°s 21 e 22 para IL-17A e IL-17F respetivamente. Os polipéptidos de IL-17 podem ser preparados por processos bem conhecidos na técnica a partir de células hospedeiras geneticamente manipuladas compreendendo sistemas de expressão ou estes podem ser recuperados de fontes biológicas naturais. No presente pedido, o termo "polipéptidos" inclui péptidos, polipéptidos e proteínas. Estes são utilizados independentemente a menos que especificado de outra forma. 0 polipéptido de IL-17 pode em alguns casos ser parte de uma proteína maior tais como uma proteína de fusão por exemplo em fusão com uma marca de afinidade. Os anticorpos produzidos contra estes polipéptidos podem ser obtidos, em que é necessária a imunização de um animal, por administração do polipéptidos a um animal, de um modo preferido um animal não humano, utilizando protocolos bem conhecidos e de rotina, ver por exemplo Handbook of Experimental Immunology, D. M. Weir (ed.), Vol 4, Blackwell Scientific Publishers, Oxford, Inglaterra, 1986). Muitos animais de sangue quente, tais como coelhos, murganhos, ratos, ovelhas, vacas ou porcos podem ser imunizados. Contudo, os murganhos, coelhos, porcos e ratos são geralmente preferidos .

Os anticorpos para utilização na presente invenção incluem anticorpos completos e fragmentos funcionalmente ativos ou derivados destes e podem ser, nas não são limitados a, domínios de anticorpos monoclonais, multi-valentes, muiti-específicos, totalmente humanos, humanizados ou quiméricos, e.g. VH, VL, VHH, anticorpos de cadeia simples, fragmentos Fab, fragmentos Fab' e F(ab')2 e fragmentos de ligação ao epitopo que qualquer dos acima. Outros fragmentos de anticorpo incluem os descritos nos pedidos de patente Internacional W02005003169, W02005003170 e W02005003171. Os fragmentos de anticorpo e os métodos para a sua produção são bem conhecidos na técnica, ver por exemplo Verma et al., 1998, Journal of Immunological Methods, 216, 165-181; Adair e Lawson, 2005. Therapeutic antibodies. Drug Design Reviews - Online 2(3): 209-217.

Os anticorpos para utilização na presente invenção incluem moléculas de imunoglobulina e porções imunolo-gicamente ativas de moléculas de imunoglobulina, i. e. moléculas que contêm um sítio de ligação ao antigénio que se liga especificamente a um antigénio. As moléculas de imunoglobulina da invenção podem ser de qualquer classe (e.g. IgG, IgE, IgM, IgD e IgA) ou subclasse de molécula de imunoglobulina. Os domínios da região constante da molécula de anticorpo da presente invenção, se presentes, podem ser selecionados tendo em conta a função proposta para a molécula de anticorpo, e em particular as funções efetoras que podem ser necessárias. Por exemplo, os domínios da região constante podem ser domínios de IgA, IgD, IgE, IgG ou IgM humana. Em particular, os domínios da IgG humana da região constante podem ser utilizados, especialmente dos isotipos IgGl e IgG3 quando a molécula de anticorpo é pretendida para utilizações terapêuticas e as funções efetoras de anticorpo são necessárias. Alternativamente, os isotipos IgG2 e IgG4 podem ser utilizados quando a molécula de anticorpo se pretende para propósitos terapêuticos e as funções efetoras do anticorpo não são necessárias, e.g. para simplesmente bloquear a atividade de IL-17. Deverá ser considerado que as variantes de sequência destes domínios da região constante podem também ser utilizados. Por exemplo, podem ser utilizadas moléculas de IgG4 em que a serina na posição 241 foi alterada para prolina como descrito em Angal et ai., Molecular Immunology, 1993, 30 (1), 105-108. Particularmente preferido é o domínio constante de IgG4 compreendendo esta alteração. Deverá também ser entendido pelo especialista na técnica que os anticorpos podem sofrer uma variedade de modificações pós-tradução. O tipo e extensão destas modificações depende frequentemente da linha de célula hospedeira utilizada para expressar o anticorpo assim como as condições de cultura. Estas modificações podem incluir variações na glicosilação, oxidação da metionina, formação de dicetopiperazina, isomerização de aspartato e desamidação de asparagina. Uma modificação frequente é a perda de um resíduo básico carboxi-terminal (tal como lisina ou arginina) devido à ação de carboxipeptidases (como descrito em Harris, RJ. Journal of Chromatography 705:129-134, 1995).

Os anticorpos monoclonais podem ser preparados por qualquer método conhecido na técnica tal como a técnica de hibridoma (Kohler & Milstein, 1975, Nature, 256:495-497), a técnica de trioma, a técnica de hibridoma de células B humanas (Kozbor et al., 1983, Immunology Today, 4:72) e a técnica de EBV-hibridoma (Cole et al., Monoclonal Antibodies and Cancer Therapy, pp77-96, Alan R Liss, Inc., 1985).

Os anticorpos para utilização na invenção podem também ser produzidos utilizando métodos de anticorpo de linfócito único por clonagem e que expressam os cDNAs da região variável da imunoglobulina produzidos por linfócitos únicos selecionados para a produção de anticorpos específicos através de, por exemplo, os métodos descritos por Babcook, J. et al., 1996, Proc. Natl. Acad. Scl. USA 93 (15) :7843-78481; WO92/02551; W02004/051268 e Pedido de Patente Internacional número W02004/106377.

Os anticorpos humanizados são moléculas de anticorpo de espécies não humanas possuindo uma ou mais regiões determinantes de complementaridade (CDRs) das espécies não humanas e uma região estrutural de uma molécula de imunoglobulina humana (ver, e.g. US 5 585 089; WO91/09967).

Os anticorpos quiméricos são os anticorpos codificados por genes de imunoglobulina que foram geneticamente manipulados de modo a que os genes da cadeia leve e pesada sejam compostos por segmentos de genes de imunoglobulina pertencentes a diferentes espécies. Estes anticorpos quiméricos são provavelmente menos antigénicos. Os anticorpos bivalentes podem ser preparadas por métodos conhecidos na técnica (Milstein et al., 1983, Nature 305:537-539; WO 93/08829, Traunecker et al. , 1991, EMBO J. 10:3655-3659). Os anticorpos multi-valentes podem compreender múltiplas especificidades ou podem ser monoespecí-ficos (ver por exemplo WO 92/22853 e W005/113605).

Os anticorpos para utilização na presente invenção podem também ser produzidos utilizando vários métodos de apresentação em fagos conhecidos na técnica e incluem os revelados por Brinkman et al. (em 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) e WO 90/02809; WO 91/10737; WO 92/01047; WO 92/18619; WO 93/11236; WO 95/15982; WO 95/20401; e US 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 e 5 969 108. Técnicas para a produção de anticorpos de cadeia simples, tais como os descritos em US 4 946 778 podem também ser adaptadas para produzir anticorpos de cadeia única que se ligam a IL-17A e IL-17F. Também, os murganhos transgénicos, ou outros organismos, incluindo outros mamíferos, podem ser utilizados para expressar anticorpos humanizados.

Os anticorpos totalmente humanos são os anticorpos em que as regiões variáveis e as regiões constantes (quando presentes) de ambas as cadeias pesada e leve e as cadeias leves são todas de origem humana, ou substancialmente idênticas a sequências de origem humana, não necessariamente do mesmo anticorpo. Os exemplos de anticorpos totalmente humanos podem incluir anticorpos produzidos, por exemplo, pelos métodos de exposição em fagos acima descritos e anticorpos produzidos pelos murganhos em que os genes da região variável e constante da imunoglobu-lina de murino foram substituídos pelos seus homólogos humanos e.g. como descrito em termos gerais em EP0546073 Bl, US 5 545 806, US 5 569 825, US 5 625 126, US 5 633 425, US 5 661 016, US5 770 429, EP 0438474 Bl e EP0463151 Bl.

Qualquer método conhecido na técnica adequado pode ser utilizado para determinar os resíduos ligados por um anticorpo proporcionado pela presente invenção e.g. troca hidrogénio-deutério, mutagénese dirigida ao sítio, espetrometria de massa, RMN e cristalografia de raios X. Ver por exemplo os métodos descritos em W02007/149032. A região específica ou epitopo do polipéptido de IL-17A humana e/ou a região específica ou epitopo do polipéptido da IL-17F humana e/ou a região específica ou epitopo do heterodímero IL-17A/F humana podem ser identificadas por qualquer método de mapeamento de epitopo adequado conhecido na técnica em combinação com qualquer um dos anticorpos proporcionado pela presente invenção. Os exemplos destes métodos incluem péptidos de rastreio de comprimento variado derivado de IL-17A e IL-17F para a ligação ao anticorpo da presente invenção com o fragmento mais pequeno que pode ligar-se especificamente ao anticorpo contendo a sequência do epitopo reconhecido pelo anticorpo. Os péptidos IL-17 podem ser produzidos sinteticamente ou por digestão proteolitica do polipéptido de IL-17 apropriado. Os péptidos que se ligam ao anticorpo podem ser identificados por, por exemplo, análise de espetrometria de massa. Noutro exemplo, a espetroscopia de NMR, como aqui descrito nos Exemplos pode ser utilizada para identificar resíduos que interagem com um anticorpo da presente invenção .

As moléculas de anticorpo neutralizantes proporcionadas pela presente invenção têm, de um modo preferido, uma elevada afinidade de ligação, de um modo preferido, nanomolar, ainda de um modo preferido, picomolar. Deverá ser considerado que a afinidade de ligação de um anticorpo de acordo com a presente invenção para a IL-17A humana pode ser diferente da afinidade de ligação do mesmo anticorpo para a IL-17F humana e/ou o heterodímero IL-17A/F. Num exemplo a molécula de anticorpo da presente invenção possui uma afinidade para a IL-17A que é maior do que a sua afinidade para IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade para IL-17A que é pelo menos 10 vezes maior do que a sua afinidade de ligação para IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade para IL-17A que é pelo menos 50 vezes maior do que a sua afinidade de ligação para IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade para IL-17A que é pelo menos 100 vezes maior do que a sua afinidade de ligação para IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade para IL-17F que é maior do que a sua afinidade para IL-17A. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade para IL-17A que é a mesma da sua afinidade para IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade picomolar para IL-17A e uma afinidade nanomolar para IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade nanomolar para IL-17F e uma afinidade picomolar para IL-17A. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade nanomolar para IL-17A e IL-17F. Num exemplo a molécula de anticorpo da presente invenção tem uma afinidade picomolar para IL-17A e IL-17F.

De um modo preferido, a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17A melhor do que 10 nM. Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17A melhor do que 500 pM. Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17A melhor do que 100 pM. Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17A melhor do que 20pM.

De um modo preferido, a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17F melhor do que 10 nM. Numa forma de realização o anticorpo da presente invenção tem uma afinidade para IL-17F melhor do que 2 nM. Numa forma de realização o anticorpo da presente invenção tem uma afinidade para IL-17F melhor do que 500 pM. Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17F melhor do que 100 pM.

De um modo preferido, a molécula de anticorpo da presente invenção tem uma afinidade de ligação para o heterodimero IL-17A/F melhor do que 10 nM. Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para o heterodimero IL-17A/F melhor do que 500 pM. Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para o heterodimero IL-17A/F melhor do que 100 pM.

Numa forma de realização a molécula de anticorpo da presente invenção tem uma afinidade de ligação para IL-17F de cinomolgo melhor do que 2 nM.

Deverá ser considerado que a afinidade dos anticorpos proporcionados pela presente invenção pode ser alterada utilizando qualquer método conhecido na técnica adequado. A presente invenção também se refere a variantes das moléculas de anticorpo da presente invenção, que tem uma afinidade melhorada para IL-17A e/ou IL-17F. Estas variantes podem ser obtidas por vários protocolos de maturação de afinidade incluindo as CDRs mutantes (Yang et al., J. Mol. Biol., 254, 392-403, 1995), enchimento de cadeias (Marks et al. , Bio/Technology, 10, 779-783, 1992), utilização das estirpes mutadoras de E. coll (Low et al., J. Mol. Biol., 250, 359-368, 1996), enchimento de DNA (Patten et al. , Curr. Opin. Biotechnol., 8, 724-733, 1997), exposição de fagos (Thompson et al., J. Mol. Biol., 256, 77-88, 1996) e PCR sexual (Crameri et al. , Nature, 391, 288-291, 1998). Vaughan et al. (supra) discute estes métodos de maturação de afinidade.

Numa forma de realização as moléculas de anticorpo da presente invenção neutralizam a atividade de IL-17A e IL-17F, por exemplo nos ensaios in vitro descritos nos Exemplos. Numa forma de realização a presente invenção proporciona um anticorpo neutralizante possuindo especificidade para a IL-17A humana e IL-17F que é capaz de inibir a atividade de 0,8 nM de IL-17A humana em 50% numa concentração inferior a 5 nM e a atividade de 4,2 nM de IL-17F em 50% numa concentração inferior a 12nM sendo a referida atividade medida na libertação de IL-6 induzida por IL-17A ou IL-17F de células Hela. Numa forma de realização a concentração de anticorpo que inibe a IL-17A em 50% é inferior a 3 nM. Numa forma de realização a concentração de anticorpo que inibe IL-17F em 50% é inferior a 11 nM. Numa forma de realização a IL-17A humana e IL-17F humana utilizadas no ensaio são IL-17A humana e IL-17F recombinantes. Numa forma de realização o anticorpo neutralizante é um anticorpo humanizado ou totalmente humano.

Se desejado, um anticorpo para utilização na presente invenção pode ser conjugado com uma ou mais moléculas efetoras. Deverá ser considerado que a molécula efetora pode compreender uma única molécula efetora ou duas ou mais destas moléculas assim ligadas como para formar um única unidade que pode ser ligada aos anticorpos da presente invenção. Quando se deseja obter um fragmento de anticorpo ligado a uma molécula efetora, isso pode ser preparado através de métodos químicos convencionais ou de DNA recombinante em que o fragmento de anticorpo é ligado diretamente ou através de um agente acoplante da molécula efetora. As técnicas para conjugar estas moléculas efetoras aos anticorpos são bem conhecidas na técnica (ver, Hellstrom et al., Controlled Drug Delivery, 2a Ed., Robinson et al., eds., 1987, pp. 623-53; Thorpe et al., 1982 , Immunol. Rev., 62:119-58 e Dubowchik et al., 1999, Pharmacology and Therapeutics, 83, 67-123). Métodos químicos particulares incluem, por exemplo, os descritos em WO 93/06231, WO 92/22583, WO 89/00195, WO 89/01476 e W003031581. Alternativamente, quando a molécula efetora é uma proteína ou polipéptido a ligação pode ser conseguida utilizando métodos de DNA recombinante, por exemplo como descrito em WO 86/01533 e EP0392745. O termo molécula efetora como aqui utilizado inclui, por exemplo, agentes antineoplásicos, fármacos, toxinas, proteínas biologicamente ativas, por exemplo enzimas, outro anticorpo ou fragmentos de anticorpo, polímeros sintéticos ou que ocorrem naturalmente, ácidos nucleicos e seus fragmentos e.g. DNA, RNA e seus fragmentos, radionuclídeos, particularmente radioiodeto, radioisó-topos, metais quelatados, nanopartícuias e grupos repórter tais como compostos fluorescentes ou compostos que podem ser detetados por espetroscopia de RMN ou RSE.

Exemplos de moléculas efetoras podem incluir citotoxinas ou agentes citotóxicos incluindo qualquer agente que é prejudicial (e.g. mata) às células. Exemplos incluem combrestatinas, dolastatinas, epotilones, estauros-porina, maitansinoides, espongistatinas, rizoxina, halicon-drinas, roridinas, hemiasterlinas, taxol, citocalasina B, gramicidina D, brometo de etídeo, emetina, mitomicina, etopósido, tenopósido, vincristina, vinblastina, colchici-na, doxorrubicina, daunorrubicina, di-hidroxiantracina dio-na, mitoxantrona, mitramicina, actinomicina D, 1-desidro-testosterona, glucocorticóides, procaína, tetracaína, lido-caína, propranolol, e puromicina e análogos ou homólogos destes.

Moléculas efetoras também incluem, mas não estão limitadas a, antimetabolitos (e.g. metotrexato, 6-merca-ptopurina, 6-tioguanina, citarabina, decarbazina de 5-fluorouracilo), agentes alquilantes (e.g. mecloretamina, tioepaclorambucilo, melfalan, carmustina (BSNU) e lomustina (CCNU), ciclotosfamida, busulfan, dibromomanitol, estre-ptozotocina, mitomicina C, e cis-platina (II) diclorodi-amina (DDP) cisplatina), antraciclinas (e.g. daunorrubicina (anteriormente daunomicina) e doxorrubicina), antibióticos (e.g. dactinomicina (anteriormente actinomicina), bleomi-cina, mitramicina, antramicina (AMC), caliceamicinas ou duocarmicinas), e agentes antimitóticos (e.g. vincristina e vinblastina).

Outras moléculas efetoras podem incluir radionu-clídeos quelatados tais como 11]-In e 90Y, Lu177, Bismuto213, Californio252 , Iridio192 e Tungsténio188/Rénio188; ou fármacos tais como mas não limitados a, alquilfosfocolinas, inibi-dores de topoisomerase I, taxóides e suramina.

Outras moléculas efetoras incluem proteínas, péptidos e enzimas. As enzimas de interesse incluem, mas não estão limitadas a, enzimas proteolíticas, hidrolases, liases, isomerases, transferases. Proteínas, polipéptidos e péptidos de interesse incluem, mas não estão limitadas a, imunoglobulinas, toxinas tais como abrina, ricina A, exoto-xina de pseudomonas, ou toxina da difteria, uma proteína tal como insulina, fator de necrose de tumor, a-interferão, β-interferão, fator de crescimento do nervo, fator de crescimento derivado de plaquetas ou ativador de plasminogénio de tecido, um agente trombótico ou um agente antiangio-génico, e.g. angiostatina ou endostatina, ou, um modificador de resposta biológica tal como uma linfoquina, interleuquina-1 (IL-1), interleuquina-2 (IL-2), interleu- quina-6 (IL-6), fator de estimulação de colónias de macrófagos granulócitos (GM-CSF), fator de estimulação de colónias de granulócitos (G-CSF), fator de crescimento do nervo (NGF) ou outro fator de crescimento e imunoglobu-linas.

Outras moléculas efetoras podem incluir substâncias detetáveis úteis por exemplo, em diagnóstico. Exemplos de substâncias detetáveis incluem várias enzimas, grupos prostéticos, materiais fluorescentes, materiais lumines-centes, materiais bioluminescentes, nuclideos radioativos, metais emissores de positrões (para utilização em tomogra-fia de emissão de positrões) , e iões metálicos parama-gnéticos não radioativos. Ver geralmente Patente U.S. N° 4 741 900 para iões metálicos que podem ser conjugados com anticorpos para utilização como diagnóstico. As enzimas adequadas incluem peroxidase de rábano, fosfatase alcalina, beta-galactosidase, ou acetilcolinesterase; os grupos prostéticos adequados incluem estreptavidina, avidina e bioti-na; os materiais fluorescentes adequados incluem umbelife-rona, fluoresceina, isotiocianato de fluoresceina e, roda-mina, diclorotriazinilamina fluoresceina, cloreto de dansi-lo e ficoeritrina; os materiais luminescentes adequados incluem luminol; os materiais bioluminescentes adequados incluem luciferase, luciferina, e aequorina; e os nuclideos radioativos adequados incluem 125I, 131I, 11]-In e "Tc.

Noutro exemplo a molécula efetora pode aumentar a semivida do anticorpo in vivo, e/ou reduzir a imunogeni- cidade do anticorpo e/ou estimular a distribuição de um anticorpo através de uma barreira epitelial para o sistema imunitário. Exemplos de moléculas efetoras adequadas deste tipo incluem polímeros, albumina, proteínas de ligação a albumina ou compostos de ligação a albumina tais como os descritos em WO05/117984.

Quando a molécula efetora é um polímero pode, em geral, ser um polímero sintético ou que ocorre naturalmente, por exemplo uma cadeia linear ou ramificada opcionalmente substituída de polímero de polialquileno, polialquenileno ou polioxialquileno ou um polissacárido ramificado ou não ramificado, e.g. um a homo- ou hetero-polissacárido.

Substituintes opcionais particulares que podem estar presentes nos polímeros sintéticos acima mencionados incluem um ou mais grupos hidroxilo, metilo ou metoxilo.

Exemplos particulares de polímeros sintéticos incluem uma cadeia linear ou ramificada opcionalmente substituída poli (etilenoglicol), poli(propilenoglicol) poli-(álcool vinílico) ou seus derivados, especialmente poli-(etilenoglicol) opcionalmente substituído tal como meto-xipoli(etilenoglicol) ou seus derivados.

Polímeros particulares que ocorrem naturalmente incluem lactose, amilose, dextrano, glicogénio ou seus derivados. "Derivados" como aqui utilizado pretende incluir derivados reativos, por exemplo grupos reativos seletivos para tiol tais como maleimidas e semelhantes. 0 grupo reativo pode ser ligado diretamente ou através de um segmento ligante ao polímero. Deverá ser considerado que o resíduo de um destes grupos formará parte, em alguns casos, do produto como o grupo de ligação entre o fragmento de anticorpo e o polímero. 0 tamanho do polímero pode ser variado como desejado, mas estará geralmente num intervalo de peso molecular médio de 500 Da a 50000 Da, de um modo preferido, de 5000 a 40000 Da e de um modo mais preferido, de 20000 a 40000 Da. O tamanho do polímero pode, em particular, ser selecionado com base na utilização pretendida do produto, por exemplo, capacidade para localizar certos tecidos tais como tumores ou semi-vida em circulação estendida (para revisão ver Chapman, 2002, Advanced Drug Delivery Reviews, 54, 531-545) . Assim, por exemplo, quando o produto é pretendido para deixar a circulação e penetrar o tecido, por exemplo para utilização no tratamento de um tumor, pode ser vantajoso para utilizar um polímero de baixo peso molecular, por exemplo, com um peso molecular de cerca de 5000 Da. Para aplicações em que o produto permanece na circulação, pode ser vantajoso utilizar um polímero de peso molecular superior, por exemplo possuindo um peso molecular no intervalo de 20000 Da a 40000 Da.

Os polímeros particularmente preferidos incluem um polímero polialquileno, tal como um poli(etilenoglicol) ou, especialmente, um metoxipoli(etilenoglicol) ou um seu derivado, e especialmente com um peso molecular num intervalo de cerca de 15000 Da a cerca de 40000 Da.

Num exemplo, os anticorpos para utilização na presente invenção são ligados a unidades de poli(etilenoglicol) (PEG) . Num exemplo particular, o anticorpo é um fragmento de anticorpo e as moléculas de PEG podem ser ligadas através de qualquer cadeia lateral de aminoácido disponível ou grupo aminoácido terminal funcional localizado no fragmento de anticorpo, por exemplo qualquer grupo amino livre, imino, tiol, hidroxilo ou carboxilo. Estes aminoácidos podem ocorrer naturalmente no fragmento de anticorpo ou podem ser manipulados no fragmento utilizando métodos de DNA recombinante (ver por exemplo US 5 219 996; US 5 667 425; W098/25971) . Num exemplo a molécula de anticorpo da presente invenção é um fragmento Fab modificado em que a modificação é a adição à extremidade C-terminal da sua cadeia pesada de um ou mais aminoácidos para permitir a ligação de uma molécula efetora. De um modo preferido, os aminoácidos adicionais formam uma região de charneira modificado contendo um ou mais resíduos de cisteína aos quais a molécula efetora pode ser ligada. Os sítios múltiplos podem ser utilizados para ligar duas ou mais moléculas PEG.

De um modo preferido, as moléculas PEG estão covalentemente ligadas através de um grupo tiol de pelo menos um resíduo de cisteína localizada no fragmento de anticorpo. Cada molécula de polímero ligado ao fragmento de anticorpo modificado pode ser covalentemente ligado ao átomo de enxofre de um resíduo de cisteína localizado no fragmento. A ligação covalente será geralmente uma ligação persulfureto ou, em particular, uma ligação enxofre-carbono. Quando um grupo tiol é utilizado como o ponto de ligação a moléculas efetoras apropriadamente ativadas, por exemplo derivados de tiol seletivos tais como maleimidas e podem ser utilizados derivados de cisteína. Um polímero ativado pode ser utilizado como o material de partida na preparação de fragmento de anticorpo modificado com polímero como acima descrito. 0 polímero ativado pode ser qualquer polímero contendo um grupo tiol reativo tal como um ácido α-halocarboxílico ou éster, e.g. iodoacetamida, uma imida, e.g. maleimida, uma vinilsulfona ou um persulfureto. Este material de partida pode ser obtido comercialmente (por exemplo de Nektar, anteriormente Shearwater Polymers Inc., Huntsville, AL, EUA) ou pode ser preparado a partir de materiais de partida comercialmente disponíveis utilizando métodos químicos convencionais. Moléculas de PEG particulares incluem 20K metoxi-PEG-amina (obtenível em Nektar, anteriormente Shearwater; Rapp Polymere; e SunBio) e M-PEG-SPA (obtenível em Nektar, anteriormente Shearwater).

Numa forma de realização, o anticorpo é um fragmento Fab modificado que é PEGuilado, i. e. tem PEG (poli (etilenoglicol)) covalentemente ligado a este, e.g. de acordo com o método revelado em EP 0948544 [ver também "Poly(ethyleneglycol) Chemistry, Biotechnical and Biomedical Applications", 1992, J. Milton Harris (ed), Plenum Press, Nova Iorque, "Poly(ethyleneglycol) Chemistry e Biological Applications", 1997, J. Milton Harris e S. Zalipsky (eds), American Chemical Society, Washington DC e "Bioconjugation Protein Coupling Techniques for the Biomedical Sciences", 1998, M. Aslam e A. Dent, Grove Publishers, Nova Iorque; Chapman, A. 2002, Advanced Drug Delivery Reviews 2002, 54:531-545] . Num exemplo PEG é ligado a uma cisteina na região de charneira. Em urn exemplo, um fragmento Fab modificado com PEG tem um grupo maleimida covalentemente ligado a um grupo tiol único numa região de charneira modificada. Um resíduo de lisina pode ser covalentemente ligado ao grupo maleimida e cada um dos grupos amina no resíduo de lisina pode ser ligado um polímero de metoxipoli(etilenoglicol) possuindo um peso molecular de aproximadamente 20 000 Da. O peso molecular total do PEG ligado ao fragmento Fab pode ser deste modo de aproximadamente 40 000 Da.

Numa forma de realização, uma molécula de anticorpo neutralizante da presente invenção é um fragmento Fab modificado possuindo na extremidade C-terminal da sua cadeia pesada uma região de charneira modificada contendo pelo menos um resíduo de cisteína à qual é ligada uma molécula efetora. De um modo preferido, a molécula efetora é PEG e é ligada utilizando os métodos descritos em (W098/25971 e W02004072116 em que um a grupo lisil-maleimida é ligado ao resíduo de cisteína na extremidade C-terminal da cadeia pesada, e cada grupo amino do resíduo lisilo tem covalentemente ligado a si um resíduo metoxipoli(etilenoglicol) possuindo um peso molecular de cerca de 20 000 Da. O peso molecular total do PEG ligado ao anticorpo é deste modo de aproximadamente 40 000 Da.

Noutro exemplo as moléculas efetoras podem ser ligadas a fragmentos de anticorpo utilizando os métodos descritos nos Pedidos de Patente Internacional W02005/003169, W02005/003170 e W02005/003171. A presente invenção também proporciona uma sequência de DNA isolada que codifica as cadeias pesada e/ou leve de um molécula de anticorpo da presente invenção. De um modo preferido, a sequência de DNA codifica a cadeia pesada ou a leve de uma molécula de anticorpo da presente invenção. A sequência de DNA da presente invenção pode compreender DNA sintético, por exemplo produzido por processamento químico, cDNA, DNA genómico ou qualquer combinação destes.

As sequências de DNA que codificam uma molécula de anticorpo da presente invenção podem ser obtidas por métodos bem conhecidos dos especialistas na técnica. Por exemplo, as sequências de DNA que codificam para parte ou todas as cadeias pesada e leve do anticorpo podem ser sintetizadas como desejado a partir das sequências de DNA determinadas ou com base nas correspondentes sequências de aminoácidos. 0 DNA que codifica as sequências estruturais do aceitador é amplamente disponível para os especialistas na técnica e podem ser rapidamente sintetizadas com base nas seu sequências de aminoácidos conhecidas.

As técnicas convencionais da biologia molecular podem ser utilizados para preparar sequências de DNA que codificam uma molécula de anticorpo da presente invenção. As sequências de DNA pretendidas podem ser sintetizadas completamente ou em parte utilizando técnicas de síntese de oligonucleótidos. As técnicas de mutagénese dirigida ao sítio e reação em cadeia de polimerase (PCR) podem ser utilizadas como apropriado. A presente invenção também se refere a um vetor de clonagem ou expressão compreendendo uma ou mais sequências de DNA da presente invenção. De acordo com o exposto, é proporcionado um vetor de clonagem ou expressão compreendendo uma ou mais sequências de DNA que codifica um anticorpo da presente invenção. De um modo preferido, o vetor de clonagem ou expressão compreende duas sequências de DNA, que codificam a cadeia leve e a cadeia pesada de uma molécula de anticorpo da presente invenção, respetivamente .

Os métodos gerais através dos quais os vetores podem ser construídos, os métodos de transfeção e os métodos de cultura são bem conhecidos dos especialistas na técnica. No que a isto respeita, é feita referência a "Current Protocols in Molecular Biology", 1999, F. Μ. Ausubel (ed) , Wiley Interscience, Nova Iorque e o Manual de Maniatis produzido por Cold Spring Harbor Publishing.

Também é proporcionada uma célula hospedeira compreendendo um ou mais vetores de clonagem ou expressão compreendendo uma ou mais sequências de DNA que codificam um anticorpo da presente invenção. Qualquer sistema célula hospedeira/vetor adequado pode ser utilizado para a expressão das sequências de DNA que codificam uma molécula de anticorpo da presente invenção. Sistemas bacterianos, por exemplo E. coli, e outros sistemas microbianos podem ser utilizados, ou eucarióticos, por exemplo sistemas de expressão de células hospedeiras de mamífero, podem também ser utilizados. Células hospedeiras de mamífero adequadas incluem células CHO, mieloma ou hibridoma. A presente invenção também proporciona um processo para a produção de uma molécula de anticorpo de acordo com a presente invenção compreendendo a cultura de uma célula hospedeira contendo um vetor da presente invenção em condições adequadas para liderar a expressão de proteína a partir do DNA que codifica uma molécula de anticorpo da presente invenção, e o isolamento da molécula de anticorpo. A molécula de anticorpo pode compreender apenas um polipéptido de cadeia pesada ou leve, caso em que apenas um polipéptido da sequência que codifica a cadeia pesada ou cadeia leve necessita ser utilizada para transfetar as células hospedeiras. Para a produção de produtos compreendendo ambas as cadeias pesada e leve, a linha de células pode ser transfetada com dois vetores, um primeiro vetor que codifica o polipéptido da cadeia leve e um segundo vetor que codifica o polipéptido da cadeia pesada. Alternativamente, pode ser utilizado um único vetor, incluindo o vetor sequências que codificam os polipéptidos de cadeia leve e cadeia pesada.

Como os anticorpos da presente invenção são úteis no tratamento e/ou profilaxia de um estado patológico, a presente invenção também proporciona uma composição farmacêutica ou de diagnóstico compreendendo uma molécula de anticorpo da presente invenção em combinação com um ou mais de um excipiente, diluente ou veículo farmaceuticamente aceitável. De acordo com o exposto, é proporcionada a utilização de um anticorpo de acordo com a presente invenção para a preparação de um medicamento. A composição terá de ser fornecida como parte de uma composição farmacêutica, estéril, que incluirá normalmente um veículo farmaceuticamente aceitável. Uma composição farmacêutica da presente invenção pode adicionalmente compreender um adjuvante farmaceuticamente aceitável. A presente invenção também proporciona um processo para a preparação de uma composição farmacêutica ou de diagnóstico compreendendo a adição e mistura de uma molécula de anticorpo da presente invenção em conjunto com um ou mais de um excipiente, diluente ou veiculo farmaceuticamente aceitável. A molécula de anticorpo pode ser o único ingrediente ativo na composição farmacêutica ou de diagnóstico ou pode ser acompanhado por outros ingredientes ativos incluindo outros ingredientes de anticorpo, por exemplo anticorpos anti-TNF, anti-IL-Ιβ, anti-células T, anti-IFNy ou anti-LPS, ou ingredientes não anticorpo tais como xantinas.

As composições farmacêuticas compreendem, de um modo preferido, quantidade terapeuticamente eficaz do anticorpo da invenção. 0 termo "quantidade terapeuticamente eficaz" como aqui utilizado refere-se a uma quantidade de um agente terapêutico necessário para tratar, melhorar ou prevenir uma doença ou estado alvo, ou para exibir um efeito terapêutico ou preventivo detetável. Para qualquer anticorpo, a quantidade terapeuticamente eficaz pode ser estimada inicialmente em ensaios de cultura de células ou em modelos animais, normalmente em roedores, coelhos, cães, porcos ou primatas. 0 modelo animal pode também ser utilizado para determinar o intervalo de concentração apropriado e a via de administração. Esta informação pode ser então utilizada para determinar as doses úteis e as vias de administração em humanos. A precisa quantidade terapeuticamente eficaz para um indivíduo humano dependerá da gravidade do estado da doença, a saúde geral do indivíduo, a idade, peso e sexo do indivíduo, dieta, tempo e frequência de administração, combinação de fármaco(s), sensibilidades de reação e tolerância/resposta à terapia. Esta quantidade pode ser determinada por experimentação de rotina e depende da avaliação do clínico. Geralmente, a quantidade terapeuticamente eficaz será de 0,01 mg/kg a 50 mg/kg, de um modo preferido, 0,1 mg/kg a 20 mg/kg. As composições farmacêuticas podem ser convenientemente apresentadas em formas de dose unitária contendo uma quantidade pré-determinada de um agente ativo da invenção por dose.

As composições podem ser administradas individualmente a um doente ou podem ser administradas em combinação (e.g. simultaneamente, sequencialmente ou separadamente) com outros agentes, fármacos ou hormonas. A dose a que a molécula de anticorpo da presente invenção é administrada depende da natureza do estado a ser tratado, a extensão da inflamação presente e de se uma molécula de anticorpo está a ser utilizada profilaticamente ou para tratar um estado existente. A frequência da dose dependerá da semivida de uma molécula de anticorpo e da duração do seu efeito. Se uma molécula de anticorpo tem uma semivida curta (e.g. 2 a 10 horas) pode ser necessário para produzir uma ou mais doses por dia. Alternativamente, se uma molécula de anticorpo tem uma semivida longa (e.g. 2 a 15 dias) pode ser apenas necessário dar apenas uma dosagem diária, uma vez por semana ou mesmo uma vez em cada 1 ou 2 meses. 0 veiculo farmaceuticamente aceitável não deve, por si, induzir a produção de anticorpos prejudiciais ao indivíduo que recebe a composição e não deve ser tóxico. Os veículos adequados podem ser macromoléculas grandes, lentamente metabolizadas tais como proteínas, polipéptidos, lipossomas, polissacáridos, ácidos poliláticos, ácidos poliglicólicos, aminoácidos poliméricos, copolímeros de aminoácidos e partículas de vírus inativos.

Podem ser utilizados sais farmaceuticamente aceitáveis, por exemplo sais de ácidos minerais, tais como cloridratos, bromidratos, fosfatos e sulfatos, ou sais de ácidos orgânicos, tais como acetatos, propionatos, malona-tos e benzoatos.

Veículos farmaceuticamente aceitáveis em composições terapêuticas podem conter adicionalmente líquidos tais como água, soro fisiológico, glicerol e etanol. Adicionalmente, podem estar presentes nessas composições substâncias auxiliares, tais como agentes de humedecimento ou emulsificação ou substâncias de tamponamento de pH. Esses veículos permitem que as composições farmacêuticas sejam formuladas como comprimidos, pílulas, drageias, cápsulas, líquidos, géis, xaropes, pastas e suspensões, para ingestão pelo doente.

Formas para administração preferidas incluem formas adequadas para administração parentérica, e.g. por injeção ou infusão, por exemplo por injecção de bólus ou contínua. Quando o produto se destina a injeção ou infusão, pode tomar a forma de uma suspensão, solução ou emulsão num veículo oleoso ou aquoso e pode conter agentes de formulação, tais como agentes de suspensão, conservação, estabilização e/ou dispersão. Alternativamente, a molécula de anticorpo pode estar na forma seca, para reconstituição antes da sua utilização com um líquido estéril apropriado.

Uma vez formuladas, as composições da invenção podem ser administradas diretamente ao indivíduo. Os indivíduos a serem tratados podem ser animais. Contudo, é preferido que as composições sejam adaptadas para administração a indivíduos humanos.

As composições farmacêuticas desta invenção podem ser administradas através de qualquer número de vias incluindo, mas não limitadas a, via oral, intravenosa, intramuscular, intra-arterial, intramedular, intratecal, intraventricular, transdérmica, transcutânea (por exemplo, ver WO 98/20734), subcutânea, intraperitoneal, intranasal, entérica, tópica, sublingual, intravaginal ou retal. Também podem ser utilizados hiposprays para administrar as composições farmacêuticas da invenção. Tipicamente, as composições terapêuticas podem ser preparadas como injetáveis, seja como soluções liquidas ou suspensões. Podem também ser preparadas formas sólidas adequadas para solução em, ou suspensão em, veículos líquidos antes da inj eção. A distribuição direta das composições será geralmente realizada por injeção, subcutânea, intraperitoneal, intravenosa ou intramuscularmente, ou distribuída para o espaço intersticial de um tecido. As composições podem também ser administradas a uma lesão. A dosagem do tratamento pode ser num regime de dose única ou num regime de dose múltipla.

Deverá ser considerado que o ingrediente ativo na composição será uma molécula de anticorpo. Como tal, será suscetível à degradação no trato gastrointestinal. Assim, se a composição se destina a ser administrada por uma via utilizando o trato gastrointestinal, a composição necessitará de conter agentes que protegem o anticorpo da degradação, mas que liberta o anticorpo assim que tenha sido absorvido a partir do trato gastrointestinal.

Uma discussão exaustiva sobre veículos farmaceu-ticamente aceitáveis está disponível em Remington's Pharmaceutical Sciences (Mack Publishing Company, N.J. 1991).

Está também previsto que o anticorpo da presente invenção seja administrado através da utilização de terapia génica. De modo a alcançar isto, as sequências de DNA que codificam as cadeias pesada e leve de uma molécula de anticorpo sob o controlo de componentes de DNA apropriados são introduzidas num doente de modo a que as cadeias de anticorpo sejam expressas a partir das sequências de DNA e montadas in situ. A presente invenção também proporciona uma molécula de anticorpo para utilização no controlo de doenças inflamatórias. De um modo preferido, a molécula de anticorpo pode ser utilizada para reduzir o processo inflamatório ou para prevenir o processo inflamatório. A presente invenção também proporciona uma molécula de anticorpo da presente invenção para utilização no tratamento ou profilaxia de um distúrbio patológico que é mediado por IL-17A e/ou IL-17F ou está associado com um aumento do nivel de IL-17A e/ou IL-17F. De um modo preferido, o estado patológico é selecionado a partir do grupo consistindo em infeções (virais, bacterianas, fúngicas e parasíticas), choque endotóxico associado com infeção, artrite, artrite reumatóide, asma, doença inflamatória pélvica, Doença de Alzheimer, Doença de Crohn, doença da bexiga inflamatória, colite ulcerosa, Doença de Peyronie, doença celíaca, doença da vesícula biliar, doença pilonidal, peritonite, psoríase, vasculite, adesões cirúrgicas, trombose, diabete de Tipo I, artrite de Lyme, meningoencefalite, distúrbios inflamatórios imunomediados dos sistemas nervosos central e periférico, tais como esclerose múltipla e sindrome de Guillain-Barr, outros distúrbios auto-imunes, pancreatite, trauma (cirurgia), doença de enxerto-versus-hospedeiro, rejeição de transplante (tumores sólidos, tais como melanomas, hepatoblastomas, sarcomas, carcinomas de célula escamosa, cancros de células de transição, cancros do ovário e doenças malignas hematológicas e em particular leucemia mielógena aguda, leucemia mielógena crónica, cancro gástrico e cancro do cólon), doença cardíaca, incluindo doenças isquémicas, tais como enfarte do miocárdio, assim como aterosclerose, coagulação intravascular, reabsorção óssea, osteoporose, periodontite e hipocloridia. A presente invenção também proporciona uma molécula de anticorpo de acordo com a presente invenção para utilização no tratamento ou profilaxia da dor. A presente invenção proporciona ainda a utilização de uma molécula de anticorpo de acordo com a presente invenção no fabrico de um medicamento para o tratamento ou profilaxia de um distúrbio patológico que é mediado por IL-17A e/ou IL-17F ou associado a um aumento do nível de IL-17A e/ou IL-17F. De um modo preferido, o distúrbio patológico é a artrite reumatóide ou esclerose múltipla. A presente invenção proporciona ainda a utilização de uma molécula de anticorpo de acordo com a presente invenção no fabrico de um medicamento para o tratamento ou profilaxia da dor.

Uma molécula de anticorpo da presente invenção pode ser utilizada em qualquer terapia na qual seja desejado reduzir os efeitos de IL-17A e/ou IL-17F num corpo humano ou animal. A IL-17 A e/ou IL-17F pode estar em circulação no corpo ou pode estar presente num nivel elevado indesejável localizado num sitio particular no corpo, por exemplo um sitio de inflamação.

Uma molécula de anticorpo de acordo com a presente invenção é, de um modo preferido, utilizada para o controlo de doença inflamatória, doença autoimune ou cancro. A presente invenção também proporciona um método de tratamento de indivíduos humanos ou animais que sofrem de, ou estão em risco de, um distúrbio mediado por IL-17A e/ou IL-17F, compreendendo o método administrar ao indivíduo uma quantidade eficaz de um molécula de anticorpo da presente invenção.

Uma molécula de anticorpo de acordo com a presente invenção pode também ser utilizada em diagnóstico, por exemplo no diagnóstico in vivo e análise de imagem dos estados da doença, envolvendo IL-17A e/ou IL-17F. A presente invenção é ainda descrita apenas a título ilustrativo nos seguintes exemplos, que se referem às Figuras que os acompanham, em que:

Figura: 1 a) Região V da cadeia leve do anticorpo CA02 8_04 9 6 (SEQ ID NO:7 ) b) Região V da cadeia pesada do anticorpo CA028_04 9 6 (SEQ ID N0:9) c) CDRHl (SEQ ID NO: 1) , CDRH2 (SEQ ID N0:2), CDRH3 (SEQ ID N0:3), CDRLl (SEQ ID NO:4) , CDRL2 (SEQ ID NO: 5), CDRL3 (SEQ ID NO: 6) do anticorpo CA02 8_4 9 6. d) Cadeia leve do anticorpo CA028_496 (SEQ ID NO: 11) . e) Cadeia pesada do anticorpo CA028_496 (SEQ ID NO: 15). f) DNA que codifica a cadeia leve do anticorpo CA028_496 incluindo a sequência sinal (SEQ ID NO: 14) . g) DNA que codifica a cadeia pesada do anticorpo CA028 496 incluindo a sequência sinal (SEQ ID NO:18) h) IL-17A humana madura. i) IL-17F humana madura.

Figura 2 a) O efeito do anticorpo CA028_0496 (designado Ab#496 na legenda) sobre a IL-17 humana induziu a produção de IL-6 a partir de células Hela. b) 0 efeito do anticorpo CA028_0496 (designado Ab#496 na legenda) sobre IL-17F humana induziu a produção de IL-6 a partir de células Hela.

Manipulações de DNA e métodos gerais A estirpe de E. coli INVaF' (Invitrogen) foi utilizada para transformação e crescimento de culturas de rotina. As enzimas de restrição e de modificação de DNA foram obtidas de Roche Diagnostics Ltd. e New England Biolabs. As preparações de plasmideos foram realizadas utilizando Maxi Plasmid purification kits (QIAGEN, N° de catálogo 12165) . As reações de sequenciação de DNA foram realizadas utilizando ο ΑΒΙ Prism Big Dye terminator sequencing kit (N° de catálogo 4304149) e corridas num sequenciados automático ABI 3100 (Applied Biosystems). Os resultados foram analisados utilizando o programa AutoAssembler (Applied Biosystems). Os oligonucleótidos foram obtidos a partir da Invitrogen. A concentração de IgG foi determinada utilizando ELISA com montagem de IgG.

Isoformas de IL-17 IL-17A e IL-17F recombinantes foram adquiridos a R&D Systems. O heterodimero IL-17A/F recombinante foi produzido ligando IL-17A e IL-17F utilizando um ligante GS. O heterodimero possui a seguinte sequência (SEQ ID NO :19)

MGITIPRNPGCPNSEDKNFPRTVMVNLNIHNRNTNTNPiaiSSDYYNRSTSPWNLHRNE DPERYPSVIWEARCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHCPNSFRLEKIL VS V GCTCVTPIVHHVAGGGGS GGGGSGGGGSGGGGSRKIPKV GHTFFQKPESCPPVP GGSMKLDIGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEWQAQCRNLGCIN AQGKEDISMNSVPIQQETLWRRKHQGCSVSFQLEKVLVTVGCTCVTPVIHHVQ

IL-17F de cinomolgo recombinante (SEQ ID NO:20) MRKIPKVGHTFFQKPESCPPVPEGSMKLDTGIINENQRVSMSRNIESRSTSPWNYTVTWDPNR ^PSEVVQAQCKELGCINAQGKEDISMMSVPIQQETLVLRRKHQGCSVSFQLEKVLVTVGCTCV TPVIHHVQ A sequência de DNA que codifica o heterodimero IL-17A/F foi sintetizada quimicamente por Entelechon GmbH e foi subclonada em pET43.1a nos sitios Ndel/Xhol. A sequência de DNA que codifica L-17F cyno foi amplificada por PCR utilizando os iniciadores que introduziram os sitios de restrição NdeI e XhoI. Os produtos de PCR foram ligados em pCR4Blunt-T0P0 e a sequência foi verificada antes da digestão e ligação a pET43.1a nos sitios Ndel/Xhol. 0 DNA de pET43.1a que codifica as isoformas de IL-17 foi utilizado para transfetar células BL21(DE3) e os clones resistentes a carbenicilina selecionados foram cultivados a 37 °C durante a noite em meio 2TY contendo 2% de glucose e 50 yg/ml de carbenicilina. As culturas foram então diluídas e cultivadas no mesmo meio até uma Οϋεοο de 0,5-0,7, induzidas com IPTG a 1 mM e cultivadas a 37 °C durante mais 4-5 horas.

As células foram recolhidas por centrifugação e foram preparados corpos de inclusão a partir das células.

Os corpos de inclusão foram solubilizados em 50 mM de Tris-HC1, 5 M de cloridrato de guanidínio, 50 mM de NaCl, 1 mM de EDTA, 2 mM de glutationa reduzida, 0,2 mM de glutationa oxidada, pH 8,5. A proteína IL-17 foi redobrada pela adição gota a gota da proteína solubilizada ao tampão acima sem cloridrato de guanidínio, com agitação vigorosa. O volume final foi selecionado de modo a que a concentração final da proteína não foi superior a 0,1 mg/ml. A solução da proteína redobrada foi concentrada, se necessário, antes da troca de tampão com 10 mM de MES pH 6. A proteína foi então aplicada a uma coluna de Sepharose SP HP equilibrada com 20 mM de MES a pH 6. A proteína foi eluída com um gradiente linear de 0-500 mM de NaCl em MES pH 6 em 10 volumes de coluna. Para IL-17F, o gradiente foi alargado até 600 mM de NaCl. De modo a purificar ainda mais a IL-17, as frações relevantes da coluna de Sepharose SP HP foram reunidas, concentradas e diluídas com 20 mM de CAPSO (pH 10) e aplicadas a uma coluna Mono Q equilibrada com 20 mM de CAPSO. A proteína foi eluída com um gradiente linear de 0-250 mM de NaCl em 20 mM de CAPSO em 20 volumes de coluna. As frações contendo IL-17 foram reunidas e neutralizadas utilizando 1 M de MES a pH6.

Exemplo 1: Produção de um anticorpo anti-IL-17 neutralizante

Foram imunizados ratos fêmea Sprague Dawly com IL-17 humana recombinante (adquirida a R & D systems). Os ratos receberam quatro imunizações de 20 yg de IL-17 em 100 μΐ de adjuvante de Freund. O anticorpo 225 que se liga a IL-17 humana foi isolado utilizando os métodos descritos em W004/051268. Os genes para o domínio variável da cadeia pesada (VH) e o domínio variável da cadeia leve (VL) do anticorpo 225 foram isolados e sequenciados após clonagem através de PCR de transcrição reversa.

Uma série de regiões VL e VH humanizadas foram concebidas utilizando grelhas do aceitador da região V humano e emparelhando o número de resíduos de dadores nas regiões de grelha. Foram concebidas oito regiões VL enxertadas (gLl-8) e 9 regiões VH enxertadas (gHl-9) e os genes foram construídos por montagem de oligonucleótidos e mutagénese por PCR.

As sequências da cadeia leve enxertada foram sub-clonadas num vetor de expressão da cadeia leve humana pKHlO.l que contém o DNA que codifica a região constante de C-Kappa humana (alotipo Km3) . As sequências da cadeia pesada enxertada foram sub-clonadas no vetor de expressão de gamma-4 pVhg4P FL humana, que contém o DNA que codifica a região constante de gamma-4 humana contendo a mutação de estabilização da dobra S241P (Angal et al. , supra) . Os plasmídeos foram co-transfetados em células CHO e os anticorpos produzidos foram rastreados para atividade em ensaios de ligação a IL-17 e ensaios de neutralização. As transfeções de células CHO foram realizadas utilizando o processo de Lipofectamine™ 2000 de acordo com as instruções do fabricante (InVitrogen, N° de catálogo 11668). 0 enxerto mais ótimo com base na expressão, afinidade e potência de neutralização (gL7gH9) foi selecionado e designado CA028_0496 (também aqui referido como 496) . As sequências da região V deste anticorpo são apresentadas na Figura 1 (a) e (b) e em SEQ ID NOs: 7 e 9 para as cadeias leve (gL7) e pesada (gH9) respetivamente. A grelha do aceitador de cadeia pesada é a sequência da linha germinal humana VH3 1-3 3-07 com a grelha 4 surgindo desta porção da região JH humana da linha germinal JH4. A grelha do aceitador da cadeia leve é a sequência da linha germinal humana VKl 2-1-(1) L4, com a grelha 4 surgindo desta porção da região JK humana da linha germinal JKl.

Exemplo 2: Anticorpo CA028 0496 neutraliza a IL-17 e IL-17F e o heterodímero IL-17A/F Células Hela A potência do anticorpo CA028_0496 contra a IL-17 humana recombinante e a IL-17F humana recombinante em células Hela foi testada e comparada com o anticorpo CDP435 (W006/054059). As células Hela foram obtidas a partir do banco de células da ATCC (ATCC CCL-2) . As células foram cultivadas em meio Eagle modificado por Dulbecco (DMEM) suplementado com 10% de soro de vitela fetal, penicilina, gentamicina e glutamina. Foram plaqueadas lxlO4 células em placas de cultura de tecidos de 96 poços de fundo piano. As células foram incubadas durante a noite e lavadas uma vez em tampão de ensaio. A IL-17A humana (25 ng ml-1) ou IL-17F humana (125ng ml-1) foram incubadas na presença de uma concentração fixa de TNF-α humana. Esta mistura foi pré-incubada com anticorpo CA028_0496 ou anticorpo CDP435. Foi então adicionada citoquina mais anticorpo às células Hela que foram incubadas durante a noite. A produção de IL-6 no sobrenadante da cultura de células foi proporcionada para a quantidade de IL-17A/IL-17F adicionada às células. Os níveis de IL-6 humana foram medidos por ELISA e quantificados por comparação com concentrações padrão conhecidas de IL-6 humana.

Os resultados (Figuras 2a & 2b) indicam que CA028_0496 neutraliza potencialmente a IL-17A humana recombinante e também tinha alguma atividade contra a IL-17F humana. Os resultados destas experiências indicaram que o anticorpo CA028 0496 produziu uma IC50 de 43 ng/ml contra a IL-17 humana recombinante (25 ng ml-1) & 1477 ng/ml contra IL-17F recombinante (125 ng ml-1) . De acordo com o exposto, o anticorpo CA028_0496 produziu uma IC50 de 0,29 M contra a IL-17 humana recombinante (0,78 nM) e 10,18 nM contra a IL-17F humana recombinante (4,16 nM) neste ensaio (cálculo baseado em por IgG assumindo um peso molecular de 145 000 como uma IgG4 média e assumindo que IL-17A e IL-17F são dímeros). Células da microglia humana

Foram plaqueadas células da microglia humanas (TCS Cellworks) numa placa de 96 poços de fundo plano a 5 000 células por poço num volume total de 100 μΐ e deixadas durante 24 horas para se ligarem ao plástico. Neste momento foram adicionadas titulações (5, 1, 0.2 e 0,04 yg/ml) de IL-17A humana recombinante, IL-17F humana recombinante, IL-17F de cinomolgo recombinante e heterodímero de IL-17A/F humana recombinante na presença e ausência de 10 ng/ml TNFa humana recombinante às paredes em triplicado. Os poços de controlo não continham estimulação, ou continham apenas IL-17A (100 ng/ml), apenas TNFa e IL-17A e TNFa em conjunto.

Todas as citoguinas foram adicionadas num volume total de 110 μΐ/poço, perfazendo o volume total do poço de 210 μΐ. Em experiências que envolvem anticorpos, as células foram plaqueadas do mesmo modo. Após 24 horas foram adicionados anticorpos e citoquinas ao mesmo tempo para produzir as concentrações finais registadas num volume final total de 200 μΐ.

Após mais 24 horas de incubação a 37 °C, os sobrenadantes foram recolhidos e congelados a -20 °C até serem analisados. Para análise, os sobrenadantes foram diluídos 1/10 e medidos para IL-6 utilizando um kit MSD IL-6 humana, de acordo com as instruções do fabricante.

Observou-se que todas as isoformas de IL-17 testadas eram ativas no ensaio, particularmente na presença de TNFa. A potência do anticorpo CA028_0496 contra IL-17A humana recombinante e IL-17F humana recombinante, IL-17F de cinomolgo recombinante e heterodimero de IL-17A/F humana recombinante em células da microglia humana foi testada na presença de TNFa e comparada com um anticorpo controlo e um anticorpo especifico para IL-17A utilizando o método descrito acima. 0 anticorpo de controlo não tinha nenhum efeito na atividade de qualquer uma das citoquinas testadas. 0 anticorpo CA028_0496 possuía atividade inibidora contra todas as três citoquinas IL-17, IL-17F e IL-17A/F, incluindo IL-17F de cinomolgo enquanto o anticorpo específico para IL-17A apenas possuía actividade inibidora contra IL-17A e o heterodimero IL-17A/F.

Exemplo 3: Afinidade do anticorpo CA028 0496

(regiões constantes de IgG4 humana) para IL-17A e IL-17F BIA (Análise de Interação Biamolecular/Biamole-cular Interaction Analysis) foi realizada utilizando um Biacore 3000 (BiacoreAB).

Todas as experiências foram realizadas a 25 °C. A IgG anti-humana de cabra Fragmento Fc Affinipure, específica para o fragmento Fc (Jackson ImmunoResearch) foi imobilizada num Chip CM5 Sensor Chip através da química de acoplamento de aminas para um nível de captura de ~6000 unidades de resposta (RUs). Foram utilizados tampão HBS-EP (10 mM de HEPES pH 7,4, 0,15 M de NaCl, 3 mM de EDTA, 0,005% de Tensioativo P20, Biacore AB) como o tampão de corrida com uma taxa de fluxo de 10 μΐ/min. Foi utilizada uma injecção de 10 μΐ do anticorpo CA028_0496 (1,81 mg/ml) para captura pela IgG-Fc anti-humana imobilizada. As isoformas IL-17A e IL-17 humanas foram tituladas sobre o CA028_0496 capturado a diluições duplas desde 50 nM até sub nM a uma taxa de fluxo de 30 pL/min. A superfície foi regenerada por uma injeção de 30 pL de 40 mM de HC1, seguido por uma injeção de 5 pL de 5 mM de NaOH.

As curvas de ligação de subtração de fundo foram duplamente referenciados e analisados utilizando o software BIAevaluation (versão 3.2) seguindo procedimentos convencionais. Os parâmetros cinéticos foram determinadas a partir do algoritmo de ajuste.

Os valores de afinidade determinados para a ligação do anticorpo CA028_0496 a IL-17A foram de 16 pM e 1750 pM para IL-17F. O anticorpo CA028_0496 não se liga às outras isoformas de IL-17 (IL-17 B, C, D e E) . O anticorpo CA028_0496 liga-se por isso especificamente a IL-17A e IL-17F.

Exemplo 4: Afinidade do anticorpo CA028 0496 (regiões constantes de IgGl de murino) para IL-17A, IL-17F de cinomólogo e heterodimero IL-17A/F A BIA (Biamolecular Interaction Analysis) foi realizada utilizando um Biacore 3000 (Biacore AB).

Todas as experiências foram realizadas a 25 °C. A IgG anti-murganho de cabra do fragmento F(ab')2 Affinipure, especifica para o fragmento Fc (Jackson ImmunoResearch) foi imobilizada num chip CM5 Sensor Chip (Biacore AB) através da quimica de acoplamento de amina para um nivel de captura de ~6000 unidades de resposta (RUs). O tampão HBS-EP (10 mM de HEPES pH 7,4, 0,15 M de NaCl, 3 mM de EDTA, 0,0 05% de tensioativo P20, Biacore AB) foi utilizado como o tampão de corrida com uma taxa de fluxo de 10 pL/min. Foi utilizada uma injecção de 10 pL de anticorpo CA028_0496 a 4 pg/mL para captura pela IgG anti-murganho imobilizado, Fc. A IL-17A humana, IL-17F cino e do heterodimero A/F foram titulados sobre o CA028_0496 capturado a diluições duplas desde 25 nM até sub nM a uma taxa de fluxo de 30 pL/min. A superfície foi regenerada a uma taxa de fluxo de 10 pL/min por uma injecção de 10 pL de 40 mM de HC1, seguido por uma injecção de 5 pL de 5 mM de NaOH.

As curvas de ligação de subtração de fundo de referência dupla foram analisadas utilizando o software BIAevaluation (versão 3.2) seguindo procedimentos convencionais. Os parâmetros cinéticos foram determinadas a partir do algoritmo de ajuste. 0 anticorpo CA028_0496 possui uma afinidade de 21 pM para IL-17A, 116 pM para o heterodímero IL-17A/F e 1030 pM para cinomolgo IL-17F.

Exemplo 5: Mapeamento de epitopo por RMN de um fragmento Fab' compreendendo as regiões variáveis do anticorpo CA028 0496 0 anticorpo CA028_0496 foi produzido como um fragmento Fab' compreendendo regiões variáveis '496 e regiões constantes de IgGl de murino (SEQ ID NO:23 e 24) . Sequência da cadeia pesada (SEQ ID NO:23)

EVQLVESGGG LVQPGGSLRL SCAASGFTFS DYNMAWVRQA PGKGLEWVAT

ITYEGRNTYY RDSVKGRFTI SRDNAKWSLY LQMNStRAED 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

PSSEQItTSGG ASVVCFLNNF YPKDINVKWK IDGSERQNGV LNSWTDQDSK

DSTYSMSSTL TLTKDEYERH NSYTCEATHK TSTSPIVKSF NRNEC

Sequência da cadeia leve (SEQ ID NO:24) AIQLTQSPSS LSASVGDRVT ITCRADESVT TLMHWYQQKP GKAPKLLIYL· ^Skresgvps rfsgsgsgtd ftltisslqp edfatyycqq twsdpwtfgq

GTKVEXK

Expressão transiente de CA028_00496.gl mFab ' num biorreator de ondas de 10L

Para a transfeção das células HEK 293 F num saco de ondas de 10L, foram preparados 10 L do meio NM6 interno e suplementado com 2 mM de Glutamax (Invitrogen). As células foram contadas e semeadas no saco para uma densidade de células final de lxlO6 células/ml. A mistura de transfeção foi preparada em 7 00 ml de meio NM6. Para a preparação da mistura de transfeção o meio NM6 foi dividido em duas metades. A uma metade foram adicionados 5 mg do DNA plasmidico da cadeia pesada e 5 mg do DNA plasmídico da cadeia leve e agitados suavemente. À outra metade foi adicionado 37 ml de uma solução stock de polietilenimina (PEI) de 25 kD linear a 1 mg/ml e foi agitada suavemente. Posteriormente, o meio NM6 contendo o DNA foi transferido lentamente para o meio NM6 contendo o PEI. A mistura foi incubada à temperatura ambiente durante 20 minutos antes de ser adicionada à suspensão celular no saco de ondas. As células transfetadas foram cultivadas durante 14 dias a 25 rpm, um ângulo de 7 °, 37 °C e 5% de CO2. As amostras foram recolhidas regularmente para determinar a densidade celular e a viabilidade. No dia 14 após a transfeção as células foram recolhidas. A suspensão de células de 10 L foi transferida para frascos de centrífuga e centrifugada a 4000 rpm durante 45 min. O sobrenadante foi então passado através de um filtro Sartobran (0,45ym até 0,2 ym) e finalmente através de um filtro Millipack Gold60 (0,22 ym) estéril. O Fab' foi então purificado a partir do sobrenadante estéril filtrado.

Purificação de mFab' de CA028_00496. gl 0 mFab de CA028_00496.gl expresso de forma transiente foi purificado a partir de células hospedeiras de mamíferos (HEK293F) como se segue. O meio condicionado de células hospedeiras de mamífero contendo CA028_00496.gl mFab' secretado foi concentrado 10 vezes por ultrafiltração de fluxo tangencial (TFF) utilizando uma membrana de 10 000 MWCO. O sobrenadante concentrado foi passado por uma coluna GammaBind Plus Sepharose (meio fornecido por GE Healthcare) que tinha sido equilibrada com 75 mM de tampão citra-to/fosfato, pH 6,0. Após a aplicação, a coluna GammaBind Plus Sepharose foi lavada com 75 mM de tampão citra-to/fosfato, pH 6,0 até a absorvência a 280 nm do fluxo de passagem ter voltado à linha de base. O mFab' de CA028_00496.gl foi então eluído da coluna passando para tampão glicina-HCl a 0,1 M, pH 2,7. A absorvência a 280 nm do eluato foi monitorizada e as frações contendo proteína foram recolhidas. A aplicação do sobrenadante e a eluição da coluna foram realizadas em duas fases de modo a não exceder a capacidade da coluna.

As frações contendo proteína foram combinadas e o tampão foi mudado (por diafiltração) para tampão fosfato de sódio a 0,1 M, pH 6,0 + 2 mM de EDTA utilizando um agitador de células Amicon e membrana de 10 000 MWCO. O mFab' de CA028_00496.gl purificado por afinidade foi concentrado para 20 mg/ml antes da redução. As cisteínas ligadas com persulfureto na região de charneira foram reduzidas por incubação de Fab' com 5 mM de β-Mercaptoetilamina a 37 °C durante 30 minutos. A redução foi parada por adição de 50 mM de N-Etilinaleimida (NEM) para proteger os tióis do grupo reduzido. A reação de proteção foi incubada a +4 °C durante a noite. O excesso de agente de proteção e as impurezas de elevado peso molecular foram removidos por Filtração em Gel preparativa. O Fab' reduzido e protegido foi aplicado numa coluna de Superdex 200 (GE Healthcare) e eluida em PBS, pH 7,4. A absorvência a 280 nm do eluato foi monitorizada e as frações contendo proteína foram recolhidas. As frações foram analisadas quanto à pureza por SE-HPLC analítica utilizando uma coluna Zorbax GF250 (Agilent) corrida em tampão fosfato de sódio a 0,2 M, pH 7,0. As frações contendo Fab' puro foram combinadas, esterilizadas por filtração a 0,22 ym e armazenadas a +4 °C. A pureza final foi analisada por SE-HPLC (como acima) e SDS-PAGE em condições de redução e de não-redução.

Preparação de hIL17A marcado com dN e dCN A sequência de DNA que codifica o IL-17A foi amplificado por PCR utilizando iniciadores que introduziram os sítios de restrição Nde I e Xho I. Os produtos de PCR foram ligados no pCR4Blunt-TOPO e a sequência foi

verificada antes da digestão e ligação no pET43.1a nos sítios Ndel/Xhol. O hILl7A-pET43. la foi utilizado para transformar a estirpe de E.coli BL21 (DE3) . 1 mL de LB inoculado com células transformadas. As células incubadas durante a noite a 37 °C. Cultura durante a noite densa utilizada para inocular 30% de meio Celltone marcado com dN a uma diluição de 1:40. As células incubadas durante a noite a 37 °C. Cultura durante a noite densa então utilizada para inocular 30% de meio Celltone marcado com dN ou dCN. Cultura incubada durante a noite a 37 °C. Este passo foi então repetido com 70% de meio e depois finalmente com 100% de meio. 100% de meio marcado com dN ou dCN inoculado com uma cultura durante a noite densa e cultivada até 0,8 de DO a 595 nm. A cultura induzida com uma concentração final de 1 mM de IPTG e incubada durante 6 horas a 37 °C. Células recolhidas por centrifugação.

Corpos de inclusão extraídos (para 2 L de cultura). 1) Precipitado de células ressuspensas em 40 mL de Tampão A (100 mM de KC1, 2 mM de DTT, 2 mM de PMSF, 10 mM de Tris-HCl pH 8,5, 25% (p/v) de sacarose) 2) Adicionar 10 mL de Tampão B (300 mM de Tris-HCl pH 8,5, 100 mM de EDTA, 4 mg/mL de lisozima) Incubar em gelo durante 10-30 minutos com agitação ocasional. 3) Adicionar 50 mL de Tampão C (1 M de LiCl, 20 mM de EDTA, 0,5% (v/v) de NP-40) . Sonicar a amostra para homogeneizar. Passar a amostra através de prensa Francesa a 20 000 psi. Passar a amostra através da prensa Francesa de novo. Centrifugar a amostra a 10 000 rpm durante 10 minutos Θ 4°C. 4) Ressuspender o precipitado em 40 mL de Tampão D (10 mM de Tris-HCl pH 8,5, 0,1 mM de EDTA, 0,5 M de LiCl, 0,5% (v/v) de NP-40, 1 mM de DTT, 1 mM de PMSF). Sonicar para homogeneizar e centrifugar a 10 000 rpm durante 10 minutos Θ 4°C. Repetir o passo. 5) Ressuspender o precipitado em 40 mL de Tampão E (lOmM Tris-HCl pH 8.5, 0.lmM EDTA, 0.5% (v/v) NP-40, lmM DTT, lmM PMSF) . Sonicar para homogeneizar e centrifugar a 10 000 rpm durante 10 minutos Θ 4°C. Repetir o passo.

Ressolubilização do Precipitado 6) preparação de 6 M de Guanidina HC1, 50 mM de

Tris-HCl pH 8,5, 50 mM de NaCl. Adicionar ao precipitado. Agitar o precipitado até ficar completamente dissolvido. 7) Filtrar a amostra através de um filtro de seringa de 0,2 μΜ.

Reorganização e diálise 1) 2,5 mL de corpo de inclusão ressolubilizados

diluídos em 50 mL de 5 M de Guanidina-HCl, 50 mM de Tris pH 8,5, 50 mM de NaCl, 1 mM de EDTA, 2 mM de Glutationa reduzida, 0,2 mM de Glutationa oxidada. 2) Corpos de inclusão diluídos adicionados gota a gota a 500 mL de 50 mM de Tris pH 8,5, 50 mM de

NaCl, 1 mM de EDTA, 2 mM de Glutationa reduzida, 0,2 mM de Glutationa oxidada, 3) Diálise de proteína reorganizada contra 20 mM de MES pH6 durante a noite a 4°C.

Purificação de proteína marcada 1) Lisado dialisado aplicado numa coluna Mono SP HP (catião) equilibrada com 20 mM de MES pH 6 2) Proteína eluída com 50% de gradiente de NaCl em 10 volumes de coluna. 3) Tampão da proteína eluída trocado para 20 mM de NaPi, 100 mM de NaCl, 0,02% de azida pH6 e concentrado e testado quanto a concentração.

Purificação da proteína não marcada 1) Lisado dialisado aplicado numa coluna Mono SP HP (catião) equilibrada com 20 mM de MES a pH 6. 2) Proteína eluída com 50% de gradiente de 1 M de NaCl em 10 volumes de coluna. 3) Tampão da proteína eluída concentrada trocado para 20 mM de tampão CAPSO pH 10 e aplicada numa coluna MonoQ equilibrada com 20 mM de tampão CAPSO pH 10. 4) Proteína eluída com 50% de gradiente de 1 M de NaCl em 20 volumes de coluna. 5) Proteína eluída concentrada. 6) Proteína concentrada injetada numa coluna

Superdex 75 16?60 para um passo final de polimento. Coluna equilibrada com 20 mM de HEPES, 50 mM de NaCl pH 7,4. Proteína eluída recolhida e concentrada e testada quanto a concentração.

Princípio do ensaio de mapeamento de epitopo por

RMN A tecnologia de RMN permite a deteção sensível de alterações no ambiente de espécies paramagnéticas. Na prática, isto significa que a proteína que foi uniformemente marcada com 15N e 2H pode ser misturada com um parceiro de ligação não marcado e estes aminoácidos na proteína marcada que interagem com o parceiro de ligação não marcado podem ser detetados uma vez que a sua posição no espetro de RMN se altera. Neste caso, a IL-17A humana foi uniformemente marcada e o seu espetro de RMN registado na presença e ausência do fragmento Fab' de um anticorpo anti-IL-17A. A diferença entre os dois espetros permite que os aminoácidos em IL-17A que estão envolvidos na interação com o anticorpo sejam identificados.

Espectroscopia de RMN

As experiências de RMN foram efetuadas em amostras de 0,35 mL das proteínas e complexos em 25 mM de fosfato de sódio, 100 mM de cloreto de sódio e 0,01% (p/v) de tampão de azida de sódio a pH 6 (95% de H2O e 5% de

D2O) . Um complexo 1:2 (dímero:Fab) entre o IL-17A 15N/2H marcado e o fragmento Fab' do anticorpo '496 não marcado foi preparado por análise de RMN por mistura equimolar (monómero:Fab) das quantidades das proteínas para atingir uma concentração final de 0,25 mM. Os dados de RMN foram adquiridos a 35°C para o IL-17A livre e para o IL-17A:fragmento Fab' do complexo '496 num espetrofotómetro Bruker Avance 800 MHz equipado com uma criossonda de tripla-ressonância (15N/13C/1H) . HNCACB com base em TROSY, espetros de HN(CO)CACB e HNCO (1-4) foram utilizados para completar as atribuições de ressonância de estrutura específicas para a sequência (15N, 13C e 1H) para o IL-17A livre utilizando uma amostra uniformemente marcada 15N/13C a 0,8 mM.

As alterações nas posições dos sinais de estrutura de IL-17A induzidas pela ligação do fragmento Fab' de '496 foram detetadas utilizando um espetro 2D 15N/1H TROSY (5). Os parâmetros típicos de aquisição para todas as experiências de RMN são estabelecidas a seguir.

A dimensão direta de 1H (F3 ou F2) foi adquirida com uma largura de varrimento de 14 ppm e tempo de aquisição de 90 ou 60 ms.

Todos os espetros foram processados utilizando Topspin 2.1, com previsão linear utilizada para estender o tempo de aquisição efetivo na dimensão 15N de dados 3D a cerca de 30 ms. A melhoria da resolução suave foi aplicada em todas as dimensões utilizando uma função de seno quadrado deslocada. A análise dos espetros foi efetuada utilizando Sparky (7).

Análise dos dados de ligação de Fab' A abordagem de deslocamento mínimo (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) foi utilizada para determinar as alterações nas posições dos sinais de RMN de IL-17A NMR resultantes do fragmento Fab' da 'ligação de 496 ao IL-17A humano. Inicialmente, todos os picos no espetro 2D 15N/1H HSQC de IL-17A livre e espetro 2D 15N/1H TROSY de IL-17A ligados ao fragmento Fab' de '496 foram encontrados nos seus centros. Os valores de desvio químico de 15N e 1H das ressonâncias da estrutura foram corrigidas para a diferença nos espetros 2D 15N/1H TROSY e 2D 15N/1H HSQC do complexo e proteína livre (0,58 ppm para 15N e -0,06 ppm para 1H) . A alteração mínima na posição para picos entre a IL-17A livre e ligada a Fab' foi obtida utilizando Microsoft Excel para calcular a diferença de deslocamento químico combinada em 15N e 1H para cada pico atribuído no espetro 15N/1H HSQC da proteína livre em comparação com todos os picos observados no espetro 15N/1H TROSY do complexo de Fab'. As diferenças combinadas do deslocamento químico do protão e azoto da amida (Δδ) foram definidas de acordo com a seguinte equação (Equação 1), em que Δ5ην e Δ5ν correspondem às diferenças nos deslocamentos de 1H e 15N entre pares de picos comparados e oín é um fator de escala de 0,2 necessário para contribuir para as diferenças no intervalo de deslocamentos químicos do protão da amida, azoto da amida carbono. Para cada pico individual, o deslocamento mínimo induzido pela ligação de Fab' foi tomado como o menor valor possível de deslocamento combinado (Δδ).

Para identificar os sitios de ligação de Fab' (epitopos) no IL-17A, um histograma do deslocamento minimo combinado versus a sequência proteína foi utilizado para revelar as regiões de IL-17A contendo sinais significativamente perturbados. Se o tamanho do deslocamento químico combinado para aminoácidos individuais exceder um valor limiar, estes resíduos são selecionados para posterior avaliação como possíveis resíduos de contacto no sítio de ligação a Fab'. Deverá ser considerado que estes possíveis resíduos de contacto podem ser envolvidos na ligação por interações diretas ou indiretas (e.g. alostérica) com o Fab'. Os valores do limiar foram estabelecidos como + l,5xDP de todos os dados de deslocamento mínimo, a média do deslocamento mínimo +1 DP e a média do deslocamento mínimo +2 DP. As localizações dos resíduos candidatos aos sítios de ligação foram finalmente examinados na estrutura de elevada resolução de IL-17A e apenas os resíduos posicionados à superfície da proteína foram considerados como estando disponíveis para ligação do Fab'.

Os resíduos selecionados como possíveis resíduos de contacto com base nos deslocamentos > +l,5x DP de todos os dados de deslocamento mínimo, acessibilidade ao solvente >25%: SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS 129 e VAL131.

Os resíduos selecionados como possíveis resíduos de contacto com base nos deslocamentos> a média+1 DP de todos os dados de deslocamento mínimo, acessibilidade ao solvente >25%: SER41, TYR44, ASN45, TRP51, ASN52, HIS54, ARG72, HIS73 e ASP84.

Os resíduos selecionados como possíveis resíduos de contacto com base nos deslocamentos> a média+2 DP de todos os dados de deslocamento mínimo, acessibilidade ao solvente >25%: TYR44, ASN45, TRP51, ASN52 e ASP84. A técnica de RMN acima descrita foi também utilizada para identificar os sítios de ligação do Fab' (epitopos) em IL-17F.

Os valores de limiar foram estabelecidos como a média do deslocamento mínimo, a média do deslocamento mínimo +0,5 DP e a média do deslocamento mínimo +1 DP. As localizações dos resíduos candidatos a sítio de ligação foram finalmente examinados na resolução elevada da estrutura de IL-17F e apenas os resíduos posicionados na superfície de proteína foram considerados como estando disponíveis para ligação a Fab'.

Os resíduos selecionados como possíveis resíduos de contacto com base nos deslocamentos > média de todos os de dados de deslocamento mínimo, acessibilidade ao solvente >20%: GLN12, LYS13, SER24, IS032, ASN33 GLU34, ASN35, GLN36, VAL38, SER46, ASN53, TYR54, GLN 6 9, IS078, ASP85, SER87, MET88, ASM89, GLN94, LYS103 e THR126.

Os resíduos selecionados como possíveis resíduos de contacto com base nos deslocamentos> a média+0,5 DP de todos os dados de deslocamento mínimo, acessibilidade ao solvente >20%: GLN12, SER24, ASN33, GLU34, GLN36, VAL38, ASN53, TYR54, ASP85, MET88, ASM89, e THR126.

Os resíduos selecionados como possíveis resíduos de 'contacto' com base em deslocamentos> a média+1 DP de todos os dados de deslocamento mínimo, acessibilidade ao solvente >20%: GLN12, SER24, ASN33, GLU34, ASP85 e MET88.

Exemplo 6: Modelação da ligação do anticorpo 496

a IL-17F O sítio de ligação provável para o anticorpo 496 à IL-17F humana foi determinado por modelação por homologia e ancoragem. MODELLER (Sali, A. & Blundell, T. L., (1993) J.

Mol. Biol. 234(3), 779-815) foi utilizado para construir um mpodelo de homologia do anticorpo 496, utilizando a estrutura de raios x do anticorpo CA048_497 (anticorpos descritos em W02008/001063) . A identidade de sequência global entre os dois anticorpos é de 82%. A este nível de semelhança, o processo de modelação por homologia é bem compreendido por alguém que seja especialista na técnica. O modelo de homologia do anticorpo 496 foi então associado à estrutura de raios x do heterodimero IL17A/F utilizando RosettaDock (Gray, J. J., et. ai., (2003) J. Mol. Biol., 331(1), 281-299) de modo a construir um modelo 3D do complexo. Um processo de associação não restrito global foi efetuado para produzir 10 000 decoys (i.e., potenciais soluções de associação). O top 10 de decoys com menores classificação de energia, de acordo com RosettaDock, foram selecionados para estudo da perturbação para pesquisar o panorama energético à volta de cada solução de ancoragem. Os estudos de perturbação foram de novo efetuados utilizando RosettaDock. Os Decoys que possuem um panorama energético do tipo funil foram promovidos como candidatos potenciais.

Os potenciais candidatos foram então pesquisados para a proximidade dos resíduos ASP80, GLY81 e ASN82 da subunidade IL17A e dos resíduos GLN81, GLY82 e LYS83 da subunidade IL17F. Os candidatos que tinham o anticorpo 496 localizado a 4 angstroms de qualquer um destes resíduos foram rejeitados. Note-se que os resíduos ASP80, GLY81 e ASN82 de IL17A, que estão estruturalmente equivalentes aos resíduos GLN81, GLY82 e LYS83 de IL17F, não foram identificados como possíveis resíduos de contacto pelos dados com desvio mínimo como apresentado no Exemplo 5, mas foram identificados como possíveis resíduos de contacto quando a ligação do anticorpo CA048_497 e IL17A foi estudada utilizando a mesma técnica (dados não apresentados).

Os restantes candidatos foram então rastreados quanto a proximidade com os resíduos de IL17F ARG42, GLU45, SER46, ARG47, TRP52, ASN53, THR55, ARG73, ASN74, LEU75, ASP85 e SER87 ("Resíduos Chave de IL17F-496"), que são estruturalmente equivalentes aos possíveis resíduos de contacto de IL17A especificados no Exemplo 5. Note-se que os resíduos que são estruturalmente equivalentes a VAL128, HIS129 e VAL131 de IL17A não estão presentes na estrutura de raios x de IL17F e assim foram ignorados. 0 candidato com a menor soma de distâncias entre "Resíduos Chave de IL17F-496" e o anticorpo 496 foram selecionados como a solução de ancoragem final.

Os protocolos de pesquisa de proximidade foram realizados utilizando PyMol (DeLano, W.L. The PyMOL Molecular Graphics System (2002) na World Wide Web http:// www.pymol.org). de acordo com a solução de ancoragem final, espera-se que o anticorpo 496 se ligue a IL-17F num ou mais dos seguintes resíduos: SER39, MET40, SER41, ARG42, ARG47, ASN53, CYS72, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PR092, GLN94, THRU 9, CYS122, VAL125, THR126, PR0127, VAL128.

Espera-se que o anticorpo 496 se ligue a uma ou mais das seguintes regiões, compreendendo os resíduos de aminoácidos: 39-42 (SER39, MET40, SER41, ARG42) 47 (ARG47) 53 (ASN53) 72-75 (CYS72, ARG73, ASN74, LEU75) 83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, SER90, VAL91, PR092) 94 (GLN94) 119 (THR119) 122 (CYS122) 125-128 (VAL125, THR126, PR0127, VAL128).

Note-se que CYS72, SER90, THRU9, CYS122 e VAL125 são acessíveis ao solvente em menos de 25%, de acordo com a estrutura de raios x de IL17F, deste modo não pode interagir diretamente com o anticorpo 496. Estes resíduos, no entanto, provavelmente suportam os resíduos circundantes que estão em contacto direto com o anticorpo 496. Deste modo, espera-se que o anticorpo 496 se ligue a IL-17F em um ou mais dos seguintes resíduos: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, VAL91, PR092, GLN94, THR126, PR0127, VAL128.

Exemplo 7 A interação entre 496 e IL-17f foi estudada por cristalografia de raios x.

Cristalização, Determinação de Estrutura e Refinamento da estrutura de cristal de ILl7f Humano complexado com Fab 496.

Cristalização 0 complexo de ILl7f/Fab 496 humano cristalizado como pirâmides a partir de gotas suspensas através de fase vapor a 18,5 °C contra um reservatório de 500 pL de solução contendo 0, 85M de sulfato de amónio, 0,2 M tartarato de sódio e potássio e 0,05M de tampão Tris pH 6,9 durante 1-2 semanas em placas Hampton Research VDXm. As gotas continham 1 pL de proteína a 10 mg/mL em 20 mM de Hepes pH 7,4, 50 mM de NaCl, 0,02% de azida, e 1 pL de solução de reservatório. Os cristais pertencem ao grupo espacial H32 com dimensões de célula de a=b=189,4; c=490,9, e três moléculas do ILl7f/Fab 496 na unidade assimétrica.

Recolha de difração de raios X

Recolheram-se os dados de difração de raios X através de um cristal único de ILl7f/Fab 496 em suspensão numa litoansa e rapidamente congelado em azoto liquido, após ter brevemente passado o cristal numa solução de crioprotetor contendo 1,3 M de sulfato de amónio, 0,2 M de tartarato de sódio e potássio e tampão Tris pH 6,9 e 30% de glicerol. Os dados de difração foram recolhidos num dispositivo ADSC Quantum 4 com carga acoplada na estação de linha de feixes 103 no Diamond synchrotron, Didcot, Oxfordshire, UK. O comprimento de onda do feixe monocromático de raio x foi de 0,9796 Ã. O espaço reciproco foi amostrado a 1,0° de passos de oscilação à volta do eixo goniostato φ.

Os dados foram processados com Mosflm (Leslie,AGW, Joint CCP4 + ESF-EAMCB Newsletter on Protein Crystallography, N°. 26; CCP4, Collaborative Computational Project, Número 4. Acta Cryst. D50, 760-763 (1994)).

Determinação da Estrutura

A estrutura cristal do complexo de ILl7f/Fab 496 humano foi determinada em dois passos. Primeiro a posição Fab foi localizada com a o programa de substituição molecular Phaser (Read,RJ, Acta Cryst. D57, 1373-1382 (2001)), utilizando o Fab com o código PDB 1L7I desprovido de moléculas de água. As funções de rotação e translação cruzadas foram realizadas a uma resolução de 4,0 Ã e definições por defeito. Três moléculas de Fab foram localizadas. As pesquisas após translação translação produziu uma solução com um fator R elevado após o refinamento de corpo rígido em CNX (Brunger, A et al. , Science, 235, 458-460 (1997)). Embora a densidade de eletrões para ILl7f fosse visível em mapas de densidade de eletrões2Fo-Fc, não foi encontrada uma solução de substituição molecular para ILl7f, utilizando ILl7f(código PDB 1JPY). Em vez disso, foi utilizada uma estrutura de um dímero ILl7a para localizar esta molécula. Foi encontrada uma solução que correspondia à sua localização ao longo de um eixo de 2-vezes. Após seleção de uma metade de ILl7a, e sobrepondo ILl7f, foi criado um novo modelo de pesquisa que continha um Fab e uma metade de um dímero de ILl7f, com a remoção dos resíduos N terminais que causavam impedimentos de simetria. Este modelo de simetria foi utilizado para definir a solução de substituição molecular final para este semi-complexo.

Construção e Refinamento do Modelo A 496 estrutura do Fab/lLl7f foi construída a partir das operações de rotação e translação encontradas pela substituição molecular. Utilizando os mapas de densidade de eletrões 2Fo-Fc e Fo-Fc, os resíduos no modelo de Fab foram alteradas para refletir a sequência no Fab 496. De acordo com estes mapas, uma sonda pode estabelecer o modelo grosseiro de Fab 496 por alteração das conformações da cadeia lateral, substituindo os aminoácidos presentes na estrutura modelo pelos do Fab 496 assim como adicionando ou removendo resíduos. Foram feitos ajustamentos nas orientações de conformação de resíduo para ILl7f. utilizou-se o programa de computador interativo 0 (Jones, TA et ai., Acta Cryst. A47, 110-119 (1991)) para realizar estas manipulações.

Este modelo grosseiro foi sujeito a rondas de emparelhamento simulado, refinamento posicionai e de fator B utilizando CNX, seguido por intervenção manual. O refinamento e reconstrução manual foi monitorizado pela qualidade dos mapas de densidade de eletrões 2Fo-Fc e Fo-Fc assim como pelo valor do R cristalográf ico e valor de R livre. A resolução utilizada ao longo do refinamento foi aumentada gradualmente de 4,0A para 3,2 Ã à medida que o refinamento prosseguiu, com uma correção do solvente geral utilizado. 0 modelo do complexo de ILl7f/Fab 496 inclui os resíduos 15 a 133 de ILl7f (ver SEQ ID NO. 22), resíduos 1 a 214 da cadeia leve de Fab 496 (SEQ ID NO 11) e resíduos 1 a 227 da cadeia pesada de Fab 496 (SEQ ID NO 15). 0 fator R do modelo é 0,243, e R livre é 0,288 para 56128 reflexões. O desvio rms da geometria convencional (Engh, R et al. , Acta Cryst., A47, 392-400 (1991)) é de 0, 009À para os comprimentos de ligação e 1,48° para os ângulos de ligação. O Epitopo A interação entre 496 e IL-17f (que é um homodímero covalente) estudada por cristalografia de raios-x foi a de um complexo de fragmentos do Fab 496 incubados com a IL-17f humana. A estrutura revela os principais sítios de contacto entre o Fab 496 e IL-17f, e foram identificados como agrupados principalmente nas ansas CDR do anticorpo e ao longo de parte do comprimento de IL-17f, interagindo com ambas as cadeias de IL-17f. de acordo com a numeração da sequência apresentada em SEQ ID NO. 22 para a proteína madura IL-17f, i. e., a proteína IL-17f a partir da qual o péptido sinal foi clivado, os resíduos que interagem de modo mais próximo com a região CDR do Fab 496 em 3,0A, são Gln71, Cys72, Ile86, Asn89, Ser90 e Viall28 da primeira cadeia, e Arg47 da segunda cadeia. Os principais resíduos de IL-17f que contactam com Fab 496 em 3,5A são

Gln71, Cys72, Asn74, Leu75, Ile86, Asn89, Ser90, Pro92, Vall28, Hisl31 e Glnl33 da primeira cadeia, e Arg37, Ser39, Ser41 e Arg47 da segunda cadeia. Os resíduos que contactam com o Fab 496 em 4,0A são Gln71, Cys72, Arg73, Asn74, Leu75, Ile86, Ser87 Asn89, Ser90, Val91, Pro92, Vall28, Hisl31 e Glnl33 da primeira cadeia, e Asn33, Gln36, Arg37, Ser39, Ser41, Arg42, Ile44 e Arg47 da segunda cadeia. Estes resíduos definem o epitopo do anticorpo 496.

Tabela 1. As coordenadas atómicas de IL17F em complexo com 496 Fab (H32; a=189,4; c=490,4, α,β=90°; γ=120°)

ATOM 1 CB ALA A 1 S4.135 -£9.931 -35.658 1.00101.85 MOL1 C

ATOM 2 C ALA A 1 63,428 -68.932 -37.846 1.00100.38 MOL1 C ATOM 3 0 ALA A 1 63.710 -68.947 -39.048 1.00103.91 MOL1 0

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 1.00100.78 MOL1 C

ATOM 6 N ILEA 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 CGI ILE A 2 59.667 -68.961 -36.210 1.00 89.64 MOL1 C

ATOM 11 CD1 ILEA 2 59.427 -70.445 -36.220 1.00 98.49 MOL1 C

ATOM 12 C ILEA 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 0

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

ATOM IS 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 1.00101.08 MOL1 C

ATOM IB CD GLN A 3 65.144 -67.494 -42.192 1.00106.71 MOL1 C

ATOM 19 OE1 GLN A 3 65.504 -67.266 -43.353 1.00109.71 MOL1 O

ATOM 20 NE2 GLN A 3 65.711 -66.911 -41.138 1.00104.54 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 0

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 -42.857 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 -67.15B -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 -46,559 1.00 76.11 MOL1 O

ATOM 38 M GLN A É 57.434 -S3.926 -48.191 1.00 67.23 MOLl N ATOM 39 CA GLN A 6 56.353 -63.292 -48.92B 1.00 66.03 MOLl C ATOM 40 CB GLN A 6 56.383 -61.786 -48.732 1.00 60.93 MOLl C ATOM 41 CG GLN A 6 56.267 -61.364 -47.295 1.00 59.07 MOLl C ATOM 42 CD GLN A 6 55.893 -59.916 -47.174 1.00 60.94 MOLl C ATOM 43 OBI GLN A 6 55. B13 -59.381 -46.076 1.00 66.71 KOL1 O ATOM 44 NE2 GLN A 6 55.651 -59.269 -48.309 1.00 54.84 MODI N ATOM 45 C GLN A S 56.500 -63.599 -SO.398 1.00 67.13 MOLl C ATOM 46 O GLN A 6 57.566 -64.008 -50.840 1.00 69.36 MOLl O ATOM 47 N SERA 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.D0 72.19 MOL.1 C ATOM 49 CB SERA 7 55.687 -65 .142 -52.853 1.00 75.98 MOLl C ATOM 50 OG SER A 7 54.856 -65.954 -52.047 1.00 81.94 MOL.1 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 -54.351 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 MODI C ATOM 56 CB PRO A 8 55.025 -61.554 -56.323 1.00 72.80 M0L1 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 SERA 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 SERA 9 59.749 -60.210 -54.018 1.00 73.37 MOL1 C ATOM 63 OG SERA 9 60.038 -61.381 -53.269 1.00 83.72 MOL1 O ATOM 64 C SERA 9 57.951 -58.524 -54.453 1.00 63.36 MOL1 C ATOM 65 O SERA 9 58.04B -57.512 -53.777 1.00 67.00 MODI O ATOM 65 N SER A 10 57.544 -58.512 -55.708 1.00 57.29 MOL1 N ATOM 67 CA SERA 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 53.281 -56.613 -57.742 1.00 53.75 MOL1 ST ATOM 73 CA LEU A 11 54.098 -56.851 -58.548 1.00 50.55 M0L1 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.S23 -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 -58.22S 1.00 44.62 MOL1 O ATOM 80 N SERA 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 SERA 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 M0L1 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 8 8 CB ALA A 13 4 8.232 -54.119 -59.330 1.00 52.6 8 MOL1 C ATOM 39 C ALA A 13 48.196 -52.241 -60.964 1.00 57.76 MOL1 C ATOM 90 O ALA A 13 43.927 -51.236 -60.931 1.00 56.32 M0L1 O ATOM 91 N SER A 14 46.895 -52.204 -61.263 1.00 56.07 MOL1 N ATOM 92 CA SERA 14 46.202 -50.957 -61.594 1.00 58.55 M0L1 C ATOM 93 CB SERA 14 45.601 -51.052 -62.987 1.00 53.96 MOL1C ATOM 94 OG SERA 14 46.285 -52.023 -63.759 1.00 71.46 MOL1 O ATOM 95 C SERA 14 45.089 -50.686 -60.596 1.00 55.27 MOL1 C ATOM 96 O SERA 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 M0L1 C ATOM 100 CGI VAL A 15 42.027 -47.348 -58.B02 1.00 32.20 MOLl C ATOM 101 CG2 VAL A 15 44.273 -46.607 -59.305 1.00 34.78 MOLl C

ATOM 102 C VALA IE 42.489 -49.966 -59.685 1.00 48.79 MOL1 c ATOM 103 0 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 MOB1 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 M 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 W AEG A 18 42.462 -56.571 -57.693 1.00 48.09 MOL1 N ATOM 117 CA AEG A 18 42.366 -57.231 -56.411 1.00 55.61 MOL1 C ATOM 118 CB AEG A 18 41.284 -58.316 -56.404 1.00 69.85 MOL1 C ATOM 119 CG AEG A IB 41.140 -59.019 -55.033 1.00 84.25 MOL1 C ATOM 120 CD AEG A IB 40.007 -60.048 -54.994 1.00 96.26 MOL1 C ATOM 121 ME AEG A 18 40.377 -61,322 -55.613 1.00111.22 MOL1 N ATOM 122 CZ AEG A 18 40.792 -62.397 -54.941 1.00117.53 MOL1 C ATOM 123 KM 1 AEG A 18 40.889 -62.360 -53.615 1.00117.33 MOL1 N ATOM 124 NH2 AEG A 18 41.110 -63.514 -55.596 1.00116.29 MOL1 M ATOM 125 C AEG A 18 43.710 -57.871 -56.135 1.00 58.76 MOL1 C ATOM 126 O AEG 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 CGI 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 M0I>1 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 THE A 20 46.885 -59.549 -54.172 1.00 49.46 MOL1 N ATOM 135 CA THE A 20 46.983 -60.583 -53.149 1.00 54.36 MOL1 C ATOM 136 CB THE A 20 46.232 -61.041 -53.579 1.00 58.85 MOL1 C ATOM 137 OG1 THE A 20 44.838 -61.542 -53.667 1.00 70.14 MOL1 O ATOM 138 CG2 THE A 20 46.450 -62.967 -52.576 1.00 59.96 MOL1 C ATOM 139 C THE A 20 48.427 -60.973 -52,863 1.00 53. D8 MOL1 C ATOM 140 O THE A 20 49.137 -61.449 -53.736 1.00 55.72 MOL1 O ATOM 141 H 1LE 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 CGI 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 THE A 22 51.169 -63.095 -50.310 1.00 48.57 MOL1 N ATOM 150 CA THE A 22 51.210 -64.278 -49.467 1.00 52.07 MOL1 C ATOM 151 CB THE A 22 51.296 -65.552 -50.308 1.00 55.40 MOL1 C ATOM 152 OG1 THE A 22 50.290 -65.514 -51.325 1.00 62.21 MOL1 O ATOM 153 CG2 THE A 22 51.090 -66.788 -49.435 1.00 58.38 MOL1 C ATOM 154 C THE A 22 52.435 -64.240 -48.597 1.00 51.61 M0L1 C ATOM 155 O THE 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 M0L1 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 AEG A 24 54.201 -67.377 -46.652 1.00 77.18 MOL1 N ATOM 163 CA AEG 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 AEG A 24 54.432 -71.160 -47.168 1.00108.89 MOL1 C

ATOM 166 CD ARG A 24 55.50ε -73..938 -46.383 1.00119.33 MOL1 C

ATOM 167 NE ARG A 24 55.120 -73,333 -46.140 1.00124.33 MOL1 N

ATOM 168 CZ ARG A 24 55.845 -74.215 -45.452 1.00127.65 MOL1 C

ATOM 169 NH1 ARG A 24 57.012 -73,863 -44.927 1.00129.22 MODI N

ATOM 170 NH2 ARG A 24 55.397 -75.454 -45.277 1,00127,95 MOL1 N

ATOM 171 C ARG A 24 55.511 -68.687 -45.111 1.00 84.04 MODI C ATOM 172 O ARG A 24 56.466 -67.926 -45.271 1.00 84.20 MODI 0

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.Ξ8 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 1ST 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 1.00101.85 MOL1C

ATOM 180 CB ASP A 26 60.324 -71.372 -41.202 1.00110.27 MOl.1 C

ATOM 181 CG ASP A 26 61.348 -72.408 -40.854 1,00121.51 MOL1C ATOM 182 OD1 ASP A 26 62.404 -72.014 -40.315 1.00124.97 MOL1 0

ATOM 183 OD2 ASP A 26 61.102 -73.607 -41.114 1.00133.17 MOL1 O

ATOM 184 C ASP A 26 58.330 -72.912 -41.031 1.00101.21 MODI C

ATOM 185 O ASP A 26 57.944 -74.006 -41.455 1.00100.34 MOL1 O

ATOM 186 N GLU A 27 58.111 -72.498 -39.786 1.00100.36 MOL1 N

ATOM 187 CA GLU A 27 57.378 -73.295 -38.808 1.00105.27 MOL1 C

ATOM 188 CB GLU A 27 58.046 -73.174 -37.434 1,00114,82 MOL1 C

*4 ATOM 189 CG GLU A 27 59.493 -73.679 -37.373 1.00130.16 MOL1 C

ATOM 19 0 CD GLU A 2 7 59.608 -75.187 -37.133 1.0013 9.75 MOL1 C

ATOM 191 OE1 GLU A 27 59.170 -75.660 -36.058 1.00142.Ξ0 MOL1 O

ATOM 192 OE2 GLU A 27 60.144 -75.898 -38.017 1.00142.27 MOL1 O

ATOM 193 C GLU A 27 55.920 -72.825 -38.719 1.00103.78 MOL1 C

ATOM 194 O GLU A 27 55.398 -72.228 -39.663 1.00105.79 MOL1 O

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

ATOM 196 CA SERA 28 53.876 -72.706 -37.377 1.00 93.29 MOL1 C

ATOM 197 CB SERA 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 SERA 2B 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 2C2 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 CGI 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.B54 -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.B80 -70.597 -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.B60 -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 H 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 44.07 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 cr

ATOM 230 N META 33 50.322 -S3.762 -36.690 1.00 43.06 MOLl N ATOM 231 CA META 33 50.889 -63.191 -37.889 1.00 41.75 MOL1 C ATOM 232 CB META 33 50.483 -64.018 -39.096 1.00 41.63 MOL1 C ATOM 233 CG META 33 51.029 -63.483 -40.389 1.00 51.79 MOL1 C ATOM 234 SD META 33 52.828 -63.453 -40.386 1.00 67.13 MOL1 S ATOM 235 CE META 33 53.193 -64.771 -41.526 1.00 56.01 MOL1 C ATOM 236 C META 33 50.293 -61.789 -37.983 1.00 43.97 MOLl C ATOM 237 O META 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 MOLl N ATOM 244 CE1 HIS A 34 50.158 -60.439 -34.376 1.00 42.55 MOLl C ATOM 245 NE2 HIS A 34 51.449 -60.337 -34,126 1.00 40.07 MOL1 H ATOM 245 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 TEP A 35 50.468 -57.728 -40.243 1.00 46.73 MOL1 N ATOM 249 CA ΤΕΡΑ 35 50,897 -57.072 -41.468 1.00 41.10 MOLl C ATOM 250 CB TRP A 35 49.885 -57.289 -42.575 1.00 44.24 MOLl C ATOM 251 CG TRP A 35 49.856 -58.687 -43.087 1.00 47.83 MOLl C ATOM 252 CD2 TEP A 35 50,552 -59.193 -44.232 1.00 49.52 MODI 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 MODI C ATOM 255 CD 1 TRP A 35 49.156 -59.729 -42.574 1.00 44.24 MOL1 C ATOM 256 HE1 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 MODI C ATOM 258 CZ3 TRP A 35 51.935 -59.428 -46.168 1.00 52.17 MOLl C ATOM 259 CH2 TRP A 35 51.580 -60.781 -46,265 1.00 52.09 MODI C ATOM 260 C TRP A 35 51.106 -55.592 -41.280 1.00 39,10 MODI C ATOM 261 O TRP A 35 50.346 -54.931 -40.592 1.00 44.85 MOLl O ATOM 252 N TYR A 36 52.154 -55.076 -41.B96 1.00 37.01 MOLl N ATOM 263 CA TYR A 36 52.477 -53.659 -41.818 1.00 34.30 MOLl C ATOM 264 CB TYR A 36 53.802 -53.452 -41.096 1.00 26.67 MOLl C ATOM 265 CG TYR A 36 53.852 -53.935 -39.675 1.00 29.74 MOLl C ATOM 266 CD1 TYR A 36 53 .482 -53.108 -38.630 1.00 32.47 MOLl C ATOM 267 CE1 TYR A 36 53.565 -53.530 -37.315 1.00 33.73 MOLl C ATOM 268 CD2 TYR A 36 54.304 -55.210 -39.372 1.00 32.94 MOLl C ATOM 269 CE2 TYR A 36 54.390 -55.651 -38.063 1.00 32.23 MOLl C ATOM 270 CZ TYR A 36 54.020 -54.805 -37.034 1.00 39.55 MOLl C ATOM 271 OH TYR A 36 54.109 -55.225 -35.718 1.00 39.71 MOLl O ATOM 272 C TYR A 36 52.635 -53.128 -43.234 1,00 34.60 MOLl C ATOM 273 O TYR A 36 52.911 -53.882 -44.161 1.00 39.81 MOLl O ATOM 274 N GLN A 37 52.464 -51.829 -43.409 1.00 31.56 MOLl N ATOM 275 CA GLN A 37 52.653 -51.253 -44.722 1.00 30.34 MOLl C ATOM 276 CB GLN A 37 51.352 -50.726 -45.293 1.00 23.81 MOLl C ATOM 277 CG GLN A 37 51.246 -49.247 -45.228 1.00 22.13 MOLl C ATOM 278 CD GLN A 37 50.323 -48.707 -46.279 1.00 32.73 MOLl C ATOM 279 OE1 GLN A 37 43.891 -47.556 -46.199 1.00 46.81 MOLl O ATOM 280 NE2 GLN A 37 50.016 -49.527 -47.287 1.00 24.92 MOLl N ATOM 281 C GLN A 37 53.647 -50.126 -44.581 1.00 34.22 MOLl C ATOM 282 O GLN A 37 53.724 -49.490 -43.533 1.00 41.80 MOLl O ATOM 233 N GLN A 38 54.440 -49.882 -45.611 1.00 36.15 MOLl N ATOM 284 CA GLN A 3B 55.405 -48.801 -45.516 1.00 35.62 MOLl C ATOM 285 CB GLN A 3B 56.743 -49.324 -45.023 1.00 32.87 MOLl C ATOM 286 CG GLN A 38 57.828 -48.289 -45.090 1.00 38.05 MOLl C ATOM 237 CD GLN A 38 59.145 -48.758 -44.498 1.00 42.59 MOLl C ATOM 288 0E1 GLN A 38 59.598 -49.876 -44.760 1.00 42.39 MOLl O ATOM 289 NE2 GLN A 38 59.779 -47.892 -43,708 1.00 36.19 MOLl N ATOM 290 C GLN A 38 55.5B8 -48.109 -46.839 1.00 36.42 MOLl C ATOM 291 o GLN A 38 55.911 -48.752 -47.830 1.00 39.70 MOLl 0 ATOM 292 N LYS A 39 55.353 -46.800 -46.857 1.00 37.89 MOLl N ATOM 293 CA LYS A 33 55.509 -46.014 -48.078 1.00 41.72 MOLl 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 MOLl C

ATOM 295 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 ME 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 MOLl 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 MODI C

ATOM 304 CB PROA 40 59.011 -44.416 -50.834 1.00 50.04 MODI C

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

ATOM 306 C PROA 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 MODI 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 -42.4B4 -45.434 1.00 67.58 MODI C

ATOM 311 O GLY A 41 60.609 -42.093 -44.479 1.00 70,86 MODI O

ATOM 312 N LYS A 42 58.678 -42.894 -45.308 1.00 66.25 MODI 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 B7.95 MOL1 C

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

ATOM 31B 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 MODI O

ATOM 321 N ALA A 43 57.853 -44.398 -42.032 1.00 41.27 MODI N

ATOM 322 CA ALA A 43 58.090 -45.624 -41.269 1.00 37.44 KOL1 C

ATOM 323 CB ALA A 43 58.311 -45.298 -39.329 1.00 31.23 MOL1 C

ATOM 324 C ALA A 43 56,951 -46.613 -41.384 1.00 39.99 MOLl C

ATOM 325 O ALA A 43 55.837 -46,236 -41.720 1.00 48.24 KOL1 O

ATOM 326 N PRO A 44 57.207 -47.892 -41.064 1.00 40.76 MODI N

ATOM 327 CD PRO A 44 58,327 -48.380 -40.244 1.00 43.70 MOL1 C

ATOM 328 CA PROA 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 MOLl C

ATOM 331 C PRO A 44 54.900 -48.418 -40.470 1.00 39.92 MODI C

ATOM 332 O PROA 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 MODI 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 -47.620 -41.110 1.00 23.93 MODI 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 MODI 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 MODI O

ATOM 342 N LEU A 46 51.168 -50.228 -38.925 1.00 27.60 MODI N

ATOM 343 CA LEU A 46 50.410 -51.452 -38.738 1.00 28.62 MODI 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 -52.052 -36.800 1.00 29.50 MOL1 C

ATOM 346 CD1 LEU A 46 49.954 -54.157 -37.235 1.00 34.12 MODI 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 MODI C

ATOM 352 CB LEU A 47 48.012 -53.198 -42.458 1.00 32.28 MODI 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 MODI C

ATOM 355 CD2 LEU A 47 47.122 -51.145 -43.444 1.00 45.92 MOLl C

ATOM 356 C LEU A 47 46.761 -53.738 -40.416 1-00 36.98 MOLl C

ATOM 357 O LEU A 47 45.592 -53.471 -40-.193 1.00 40.47 MODI O

ATOM 358 N IXjE A 48 47.305 -54.909 -40.112 1.00 35.94 M0L1 N ATOM 359 CA ILEA 48 46.518 -55.986 -39.555 1.00 33.25 MOL1 C ATOM 360 CB ILEA 48 46.192 -56.963 -40.656 1.00 27.62 MOL1 C ATOM 361 CG2 ILEA 48 45.776 -5B.294 -40.078 1.00 23.32 MOL1 C ATOM 362 CGI 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 0 ILE A 48 48.370 -57.124 -38.614 1.00 40.68 MOL1 0 ATOM 366 N HR A 49 46.530 -57.002 -37.347 1.00 41.14 MOL1 N ATOM 367 CA HR 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 MODI 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 MODI 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 1.0D 42.71 MODI 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 MODI C ATOM 380 CB LEU A 50 45.363 -61.201 -33.904 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 MODI C ATOM 383 CD2 LEU A 50 45.771 -60.698 -31.56B 1.00 34.17 MOL1 C ATOM 384 C LEU A 50 45.652 -61.867 -36.369 1.00 38.68 MODI C ATOM 385 O LEU A 50 44.459 -62.128 -36.353 1.00 44.22 MOL1 O ATOM 386 H 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.BI MOL1 C ATOM 389 CGI VAL A 51 45.083 -64.543 -39.970 1.00 39.52 MOL1 C ATOM 390 CG2 VAL A 51 46.312 -64.B60 -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 H SER A 52 43.856 -61.408 -38.957 1.00 48.06 MOL1 N ATOM 394 CA SERA 52 42.859 -60.755 -39.775 1.00 51.23 MOL1 C ATOM 395 CB SERA 52 41.856 -61.804 -40.216 1.00 46.93 MODI C ATOM 396 OG SERA 52 41.328 -61.413 -41.467 1.00 62.81 MOL1 O ATOM 397 C SERA 52 42.136 -59.531 -39.227 1.00 44.79 MOL1 C ATOM 396 0 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 ASK A 53 41.974 -57.853 -37.551 1.00 47.09 MOL1 C ATOM 401 CB ASM A 53 41.955 -58.062 -36.051 1.00 55.32 MOLl C ATOM 402 CG ASK A 53 41.391 -59.423 -35.688 1.00 60.02 MOLl C ATOM 403 OD1 ASK A 53 42.115 -60.319 -35.263 1.00 69.59 MOLl O ATOM 404 HD2 ASK A 53 40.093 -59.591 -35.8B8 1.00 61.16 MOLl N ATOM 405 C ASK A 53 42.667 -56.560 -37.968 1.00 46.67 MOLl C ATOM 406 O ASK A 53 43.883 -56.463 -37.909 1.00 50.32 MOLl O ATOM 4D7 N ARG A 54 41.895 -55.572 -38.410 1.00 43.04 MOLl N ATOM 408 CA ARG A 54 42.470 -54.295 -38.838 1.00 46.76 MOLl C ATOM 409 CB ARG A 54 41.615 -53.661 -39.918 1.00 51.66 MOLl C ATOM 410 CG ARG A 54 41.349 -54.549 -41.074 1.00 59.02 MOLl C ATOM 411 CD ARG A 54 40.225 -53.990 -41.865 1.00 56.96 MOLl C ATOM 412 NE ARG A 54 39.479 -55.082 -42.452 1.00 72.58 MOLl N ATOM 413 CZ ARG A 54 38.278 -54.943 -42.9BB 1.00 83.40 MOLl C ATOM 414 KH1 ARG A 54 37.702 -53.741 -42.998 1.00 86.60 MOLl N ATOM 415 NH2 ARG A 54 37.663 -56.002 -43.508 1.00 87.76 MOLl N ATOM 416 C ARG A 54 42.621 -53.247 -37.746 1.00 48.10 MOLl C ATOM 417 O ARG A 54 41.834 -53.178 -36.809 1.00 51.95 MOLl O ATOM 413 N GLU A 55 43.633 -52.404 -37.885 1.00 52.04 MOLl H ATOM 419 CA GLU A 55 43.851 -51.339 -36.921 1.00 54.69 MOLl C ATOM 420 CB GLU A 55 45.169 -50.607 -37.187 1.00 59.74 MOLl C ATOM 421 CG GLU A 55 46.197 -50.722 -36.093 1.00 66.74 MOLl C

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

ATOM 423 OKI GUI A 55 46.368 -50.556 -33.736 1.00 77.92 MOL1 O

ATOM 424 OE2 GLU A 55 44.3B7 -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 5Ξ 42.017 -50,472 -38.166 1.00 60.22 MOL1 0

ATOM 427 N SERA 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 SERA 56 41.733 -47.342 -35.283 1.00 73.11 MOL1 C ATOM 430 OG SERA 56 40.88S -46.224 -35.507 1.0D 88,98 MOL1 0

ATOM 431 C SERA 56 41.368 -47.794 -37.720 1.00 69.73 MOL1 C

ATOM 422 O SERA 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 CGI 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

't>\ 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 PROA 59 41.041 -48.754 -46.013 1.00 38.01 MOL1 C

ATOM 448 CG PROA 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 PROA 59 40.312 -51.472 -44.331 1.00 50.56 MOL1 0

ATOM 451 N SERA 60 38.571 -50.408 -45.254 1,00 60,71 MOL1 N

ATOM 452 CA SERA 60 37.716 -51.560 -45.394 1.00 62.90 MOL1 C

ATOM 453 CB SERA 60 36.349 -51.056 -45.920 1.00 73.59 MOL1 C ATOM 454 OG SERA 60 36.074 -49.695 -45.508 1.00 70.93 MOL1 0

ATOM 455 C SERA 60 38.332 -52.630 -46.325 1.00 59.30 MOL1 C

ATOM 456 O SERA 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 48.9B 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 -43.641 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 0 ARG A 61 40.679 -55.230 -48.426 1.00 49.00 MOL1 0

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 PH3 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 0

ATOM 479 N SERA 63 42.382 -56.960 -46.047 1.00 50,94 MOL1 M

ATOM 480 CA SERA 63 41.903 -5B.131 -45.299 1.00 54.44 MOL1 C

ATOM 481 CB SERA S3 40.640 -58.702 -45.963 1.00 55.07 MOL1 C

ATOM 482 OG SERA S3 40.676 -58.570 -47.379 1.00 85.10 MOL1 O

ATOM 483 C SER A S3 42.937 -59.249 -45.147 1.00 53.22 MOL1 C

ATOM 484 O SERA 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 436 CA GLY A 64 44.112 -50.766 -43.690 1.00 60.19 MOL1 C ATOM 437 C GLY A 64 43.429 -62.111 -43.737 1.00 63.57 MOL1 C ATOM 43B O GLY A 64 42.224 -62.166 -43.974 1.00 70.23 MOL1 O ATOM 439 N SERA 55 44.179 -63.IBB -43.515 1.00 64.27 M0L1 N ATOM 430 CA SERA 65 43.611 -64.543 -43.539 1.00 65.17 MOL1 C ATOM 431 CB SERA 55 42.818 -64.763 -44.816 1.00 58.41 MOL1 C ATOM 492 OG SERA 65 43.689 -64.837 -45.915 1.00 51.64 MOL1 O ATOM 493 c SERA 65 44.689 -6E.612 -43.478 1.00 68.10 MOL1 C ATOM 494 O SERA 65 45.642 -65.562 -44.247 1.00 73.66 M0L1 O ATOM 495 N GLY A 56 44.542 -65.590 -42.592 1.00 66.93 MOL1 N ATOM 496 CA GLY A 56 45.564 -67.610 -42.522 1.00 72.13 MOL1 C ATOM 497 C GLY A 66 45.465 -68.652 -41.431 1.00 78.05 MOL1 C ATOM 498 0 GLY A 66 44.768 -68.487 -40.431 1.00 78.15 MOL1 O ATOM 499 N SERA 67 46.204 -69.735 -41.641 1.00 84.82 MOL1 N ATOM 500 CA SERA 57 46.245 -70.864 -40.726 1.00 92.63 MOL1 C ATOM 501 CB SERA 67 46.594 -72.142 -41.522 1.00 98.58 MOL1 C ATOM 502 OG SERA 67 46.395 -73.337 -40.771 1.00104.28 MOL1 O ATOM 503 C SER A 67 47.292 -70.612 -39.646 1.00 91.84 MOL1 C ATOM 504 O SERA 67 47.033 -69.929 -38.649 1.00 88.73 MOL1 O ATOM 505 N GLY A 58 48.475 -71.175 -39.868 1.00 91.75 MOL1 N ATOM 506 CA GLY A 58 49.575 -71.034 -38.934 1.00 91.50 M0L1 C ATOM 507 C GLY A 68 50.883 -71.335 -39.640 1.00 91.39 MOL1 C ATOM 508 0 GLY A 6B 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 0G1 THR A 69 52.875 -73.372 -43.335 1.00101.90 MOL1 O ATOM 513 CG2 THR A 69 50.694 -73.811 -42.391 1.00103.36 MOL1 C ATOM 514 C THR A 69 51.913 -70.893 -43.0B8 1.00 89.95 MOL1 C ATOM 515 o THR A 69 52.928 -70,476 -43.642 1.00 86.26 MQL1 O ATOM 516 N ASP A 70 50.695 -70.670 -43.558 1.00 87.82 MOL1 H 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 -45.84B 1.00 95.94 MOL1 C ATOM 519 CG ASP A 70 50.904 -71.768 -46.422 1.00104.24 MOL1 C ATOM 520 OD1 ASP A 70 51.583 -71.378 -47.400 1.00111.20 MOL1 O ATOM 521 OD2 ASP A 70 51.038 -72.896 -45.891 1.00104.29 MOL1 Ο 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 MOL.1 C ATOM 527 CG PHE A 71 49.677 -66.310 -42.327 1.00 57.15 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 57.7S 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 -63.979 -47.228 1.00 52.51 MOL1 C ATOM 537 CB THR A 72 46.884 -64.747 -49.258 1.00 52.75 MOL1 C ATOM 536 OG1 THR A 72 45.947 -65.587 -47.577 1.00 64.27 MOL1 0 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 0 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 4B.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 MGL1 N

ATOM 551 CA THR A 74 44.519 -58-979 -49.609 1.00 44.51 MOLl C

ATOM 552 CB THR A 74 43.712 -60.1S7 -50.198 1.00 41.06 MOLl C

ATOM 553 OG1 THR A 74 42.584 -59.708 -51.073 1.00 47.07 MOLl O

ATOM 554 CG2 THR A 74 43.108 -60.82a -48.960 1.00 35.97 MOLl G

ATOM 555 C THR A 74 43.844 -57.672 -49.871 1.00 43.60 MOLl C

ATOM 556 O THR A 74 43.045 -57.345 -48.391 1.00 46.72 MOLl Q

ATOM 557 N ILE A 75 44.102 -56.927 -50.933 1.00 37.25 MOLl K

ATOM 55B CA ILE A 75 43.465 -55.655 -51.145 1.00 43.51 MOLl C

ATOM 559 CB ILEA 75 44.519 -54.661 -51.591 1.00 3B.34 MOLl C

ATOM 56 0 032 ILEA 75 43.889 -53.323 -51.907 1.00 45.29 MOLl C

ATOM 561 CS1 ILE A 75 45.563 -54.528 -5Q.4B3 1.00 40.01 MOLl C

ATOM 562 CD1 ILE A 75 46.792 -53.717 -50,864 1.00 44.00 MOLl C

ATOM 563 C ILE A 75 42.360 -55.826 -52.191 1.00 51.76 MOLl C ATOM 564 O ILEA 75 42.638 -55.972 -53,375 1.00 54.94 MOLl Ô ATOM 565 N SERA 76 41.107 -55.816 -51.734 1.00 56.54 MOLl 14

ATOM 566 CA SERA 76 39.951 -56.004 -52.605 1,00 57.64 KOL1 C

ATOM 567 CB SERA 76 38.660 -55.979 -51.789 1.00 66.08 MOLl C

ATOM 568 OG SERA 76 38.509 -54.748 -51.105 1.00 79.00 KOL1 O

ATOM 569 C SBR A 76 39.831 -55.022 -53.751 1.00 58.33 MOLl C

ATOM 570 O SER A 76 39.343 -55.378 -54.819 1.00 65.75 MOLl O

ATOM 571 N SERA 7? 40.265 -53.787 -53.5S3 1.00 54.83 KO.L1 N

ATOM 572 CA SERA 77 40.166 -52.B25 -54.633 1.00 54.06 MOLl C

H atom 573 CB SERA 77 38.801 -52.146 -54.570 1.00 51,46 MOLl C

ATOM 574 OG SERA 77 38.583 -51.319 -55.694 1.00 63.11 MOLl O

ATOM 575 C SERA 77 41.293 -51.807 -54.534 1.00 54.48 MOLl C

ATOM 576 O SER A 77 41.129 -50.745 -S3.935 1.00 60.30 KOL1 O

ATOM £77 H LEO A 7Θ 42.432 -52.131 -S5.139 1.00 50.14 MOLl N

ATOM 578 CA LEO A 78 43.598 -51.257 -55.081 1.00 51.12 MOLl C

ATOM 579 CB LEU A 78 44.644 -51.685 -56.099 1.00 51.43 MOLl C

ATOM 560 CG LEU A 78 46.065 -51.361 -55.647 1.00 45.21 MOLl C

ATOM 581 CD! LEU A 78 46.215 -51.714 -54.187 1.00 49.93 MOLl C

ATOM 582 CD2 LEU A 78 47.057 -52.158 -56,471 1.00 53.87 MOLl C

ATOM 583 C LEU A 76 43.26S -49.795 -55.273 1.00 50.05 MOLl C

ATOM 584 O LEU A 78 42.458 -49.432 -S6.113 1.00 52.69 KOL1 O

ATOM 565 H GOT A 79 43.913 -48.960 -54.478 1.00 51.14 MOLl N

ATOM 586 CA SB A 79 43.68S -47.533 -54.505 1.00 54.93 MOLl C

ATOM 587 CB GLN A 79 43.013 -47.138 -53.195 1.00 59.11 KOL1 C

ATOM 5B8 CG GLN A 79 41.565 -47.551 -53.132 1.00 56.17 MOLl C

ATOM 589 CD GLK A 79 40.705 -46.616 -53.944 1,00 65.00 MOLl C

ATOM 590 OBI GLN A 79 40.543 -45.445 -53.584 1.00 69.29 MOLl O

ATOM 591 NE2 OLKA 73 40.154 -47.111 -55.052 1.00 60.06 MOLl KF

ATOM 592 C GLK A 79 44.998 -46.782 -54.696 1.00 55,91 MOLl C

ATOM 593 0 GLK A 79 46.067 -47.269 -54,369 1.00 59.17 MOLl O

ATOM 594 N PROA 80 44.932 -45.553 -55,216 1,00 54.38 MOLl N

ATOM 595 CD PRO A 80 43,722 -44.744 -55.426 1.30 55.89 MOLl C ATOM 596 CA PROA 80 46.132 -44.753 -55.445 1.00 56.22 MOLl €

ATOM 597 CB PRO A 80 45.579 -43,344 -55,609 1.00 56.08 MOLl C

ATOM 598 CG FRO A 80 44,255 -43.577 -56,221 1.00 57,32 MOLl C

ATOM 599 C PRO A 80 47.115 -44.837 -54.295 1,00 59.55 MOLl C

ATOM 600 0 PROA 80 48.287 -45.128 -54.486 1.00 63.58 MOLl O

ATOM 601 H GOT A 81 46.625 -44.589 -53.090 1.00 64.22 MOLl N

ATOM 602 CA GOT A 81 47.484 -44.599 -51,915 1.00 67.38 MOLl C

ATOM 603 CB GOT A 81 46.Θ6Β -43.748 -50,790 1.00 75.36 MOLl C

ATOM 604 CO GOT A 81 45.403 44.042 -50.433 1.00 89.4S MOLl C

ATOM 605 CD GOT A 81 44,411 -43,540 -51,485 1,00 99.68 MOLl C ATOM 606 OE1 GOT A 81 44.59B -42,413 -51.993 1,00107.02 MOLl 0

ÂTCM 607 OE2 GOT A 81 43.434 -44,260 -51.793 1.00103.73 MOLl G

ATOM 608 C GOT A 81 47.838 -45,972 -51.373 1,00 63.47 MOLl C

ATOM 609 O GOT A 81 48.442 -46.078 -30.310 1.00 66.19 MOLi O ATOM 610 H ASF A 82 47.478 -47.025 -52,093 1.00 55.40 MOLl Rf

ATOM 611 CA ASP A 82 47.787 -48.360 -51.612 1.00 52.01 MOLl C

ATOM 612 CB ASP A 82 46,642 -49.312 -51.338 1.00 56.83 MOLl C

ATOM 613 CG ASP A BE 45.415 -49,054 -51.078 1.00 66.32 MOLl C

ATOM 614 GDI ASPA 82 44.359 -49.654 -51.361 1.00 72.61 MOL1 0 ATOM 615 0D2 ASP A 82 45.509 -48.256 -50.113 1.00 68.72 MOLl O ATOM 616 C ASP A 82 49.087 -48.858 -52.195 1,00 46.60 MOLl C ATOM 617 0 ASP A 82 49.567 -49.941 -51.874 1.00 43.30 MOLl O ATOM 618 N PHE A 83 49.668 -48.033 -53.046 1.00 47.70 MOLl 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 -56.013 1.00 42.12 MOLl C ATOM 622 CD1 PHE A 83 49.467 -46.981 -56.783 1.00 45.02 MOLl C ATOM 623 CD2 PHE A 83 49.866 -49.269 -56.249 1.00 39.47 MODI 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 MOLl C ATOM 625 CZ PHE A 83 48.341 -48.713 -57.985 1.00 45.95 MOLl C ATOM 627 C PHE A 83 52.052 -48.161 -52.697 1.00 43.58 MOLl 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 0 ALA A 84 53.845 -51.518 -51.804 1.00 41.77 MOL1 0 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 0 ATOM 638 CG2 THR A 85 57.726 -53.299 -49.478 1.00 43.47 MOL! C ATOM 639 C THR A 85 54.861 -52.701 -48.542 1.00 37.47 MOL1 C ATOM 640 0 THR A 85 54.524 -51.956 -47.630 1.00 46.04 MOL1 0 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 MODI 0 ATOM 651 C TYR A 86 54.802 -55.709 -46.734 1.00 34.26 MOL1 C ATOM 652 O TYR A B6 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 MOLl H ATOM 554 CA TYR A 87 55.568 -56.712 -44.658 1.00 38.87 MOLl C ATOM 655 CB TYR A B7 56.624 -56.051 -43.773 1.00 36.89 MOLl C ATOM 556 CG TYR A 87 57.685 -55.249 -44.478 1.00 42.15 MOLl C ATOM 657 CD1 TYR A 87 58.720 -55.857 -45.146 1.00 40.66 MOLl C ATOM 658 CE1 TYR A 87 59.692 -55.105 -45.755 1.00 45.97 MOLl C ATOM 659 CD2 TYR A 87 57.656 -53.869 -44.443 1.00 50.79 MOLl C ATOM 660 CE2 TYR A Θ7 58.614 -53.116 -45,043 1.00 44.67 MOLl C ATOM 661 CZ TYR A 07 59.626 -53.729 -45.698 1.00 47.60 MOLl C ATOM 662 OH TYR A 87 60.561 -52.943 -46.322 1.00 60.90 MOLl O ATOM 563 C TYR A 87 54.697 -57.563 -43.729 1.00 41.64 MOLl C ATOM 564 O TYR A B7 53.758 -57.056 -43.113 1.00 48.19 MOLl O ATOM 665 N CYS A 88 55.008 -58.852 -43.622 1.00 36.06 MOLl ti ATOM 666 CA CYS A 08 54.294 -59.709 -42.699 1.00 35.87 MOLl C ATOM 667 C CYS A 88 55.242 -59.871 -41.530 1.00 35.09 MOLl C ATOM 668 0 CYS A 88 56.423 -59.588 -41.652 1.00 35.96 MOLl 0 ATOM 669 CB CYS A 88 53.976 -61.072 -43.305 1.00 46.96 MOLl C ATOM 670 SG CYS A 88 55.305 -61.9B9 -44.165 1.00 71.08 MOLl S ATOM 571 N GLN A 89 54.737 -60.287 -40.382 1.00 34.49 MOLl H ATOM 672 CA GLN A 89 55.600 -60.461 -39.234 1.00 37.20 MOLl C ATOM 673 CB GLN A 89 55.804 -59.154 -38.489 1.00 33.50 MOLl C ATOM 674 CG OLE A 89 56.361 -59.397 -37.094 1.00 44.65 MOLl C ATOM 675 CD GLN A 89 56.013 -58.301 -36.118 1.00 49.46 MOLl C ATOM 676 OE1 GLN A 89 54,910 -57.757 -36.166 1.00 50.94 MOLl O ATOM 677 NE2 GLN A 89 5 6.941 -57.992 -35.208 1.00 46.81 MOLl M

ATOM 578 C QLN A 89 54.978 -61.454 -38.291 1.00 44.45 MOL1 C

ATOM 679 0 GIN 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 MOLl N

ATOM 6 81 CA GIN A 90 55.348 -63.226 -36.672 1.00 50.10 MOLl C

ATOM 682 CB GLN A 90 55.862 -64.608 -37,060 1.00 55.58 MOLl C

ATOM 583 CG GLN A 90 57.377 -64.774 -37,019 1.00 61.93 MOLl C

ATOM 684 CD GLN A 90 57.891 -65.004 -35.615 1.00 71.03 MOLl C

ATOM 685 0E1 GLN A 90 57.237 -65.669 -34.812 1.00 74.70 MOLl O

ATOM 686 NE2 GLN A 90 59.075 -64.472 -35.313 1.00 76.62 MOLl N

ATOM 6B7 C GLN A 90 55.868 -62.855 -35.309 1.00 51.67 MOLl C

ATOM 688 O GLN A 90 56.885 -62.179 -35.202 1.00 58.41 MOLl O

ATOM 689 N THR A 91 55.168 -63.280 -34.265 1.00 51. B5 MOLl N

ATOM 690 CA THR A 91 55.593 -62.987 -32.902 1.00 55.11 MOLl C

ATOM 691 CB THR A 91 54.778 -61.855 -32.274 1.00 46.22 MOLl C

ATOM 692 OG1 THR A 91 53.388 -62,151 -32.401 1.00 48.12 MOLl O

ATOM 693 CG2 THR A 91 55.077 -60.541 -32.946 1.00 44.09 MOLl C

ATOM 694 C THR A 91 55.435 -64.220 -32.027 1.00 64.53 MOLl C

ATOM 695 O THR A 91 55.304 -64.120 -30.808 1.00 67.98 MOLl O

ATOM 696 N TRP A 92 55.443 -65.385 -32.658 1.00 72.17 MOLl N

ATOM 697 CA TEE a 92 55.323 -66.638 -31.937 1.00 79.07 MOLl C

ATOM 698 CB TRP A 92 54.998 -67.758 -32.917 1.00 81.59 MOLl C

ATOM 699 CG TRP A 92 54.701 -69.061 -32.275 1.00 86.75 MOLl C

ATOM 700 CD2 TRP A 92 54.106 -69.274 -30.990 1.00 92.89 MOLl C

m ATOM 701 CE2 TRP A 92 53.909 -70.658 -30.850 1.00 94.73 MOLl C

ATOM 702 CE3 TRP A 92 53.716 -68.430 -29,947 1.00101.96 MOLl C

ATOM 703 CD1 TRP A 92 54.845 -70.235 -32.836 1.00 88.08 MOLl C

ATOM 704 NE1 TRP A 92 54.372 -71.253 -31.992 1.00 93.41 MOLl N

ATOM 705 CZ2 TRP A 92 53.337 -71.222 -29.712 1.00100.68 MOLl C

ATOM 706 CZ3 TRP A 92 53.149 -68.991 -28.813 1.00106.61 MOLl C

ATOM 707 CH2 TRP A 92 52.964 -70.374 -28.707 1,00104,86 MOLl C

ATOM 708 C TRP A 92 56.654 -66.939 -31.253 1.00 83.90 MOLl C

ATOM 709 O TRP A 92 56.732 -67.010 -30.026 1.00 83.82 MOLl O

ATOM 710 N SER A 93 57.698 -67.114 -32.064 1.00 89.43 MOLl N

ATOM 711 CA SER A 93 59.036 -67.419 -31.562 1,00 93.50 MOLl C

ATOM 712 CB SERA 93 59.828 -68.239 -32.571 1.00 96.02 MOLl C

ATOM 713 OG SER A 93 61.175 -68.365 -32.142 1,00102.98 MOLl O

ATOM 714 C SER A 93 59.807 -66.157 -31.260 1.00 95.51 MOLl C

ATOM 715 O SERA 93 59.839 -65.233 -32.079 1.00 95.35 MOLl O

ATOM 716 N ASP A 94 60.466 -66.151 -3 0,105 1.00 95.5 8 MOLl N

ATOM 717 CA ASP A 94 61.212 -64,992 -29.632 1.00 98.53 MOLl C

ATOM 718 CB ASP A 94 62.172 -65.393 -28.526 1.00104.00 MOLl C

ATOM 719 CG ASP A 94 62.238 -64.345 -27.434 1.00112.24 MOLl C

ATOM 720 OD1 ASP A 94 62.584 -63.182 -27.751 1.00109.59 MOLl O

ATOM 721 OD2 ASP A 94 61.928 -64.681 -26.266 1.00118.48 MOLl O

ATOM 722 C ASP A 94 61.936 -64.090 -30.638 1.00 97.05 MOLl C

ATOM 723 O ASP A 94 61.807 -62.865 -30.565 1.00104.64 MOLIO

ATOM 724 N PRO A 95 62.742 -64.653 -31.552 1.00 87.92 MOLl N

ATOM 725 CD PRO A 95 63.460 -65.934 -31.551 1.00 81.97 MOLl C

ATOM 726 CA PRO A 95 63.374 -63.703 -32.477 1.00 79.51 MOLl C

ATOM 727 CB PRO A 95 64.457 -64.533 -33.148 1.00 69.47 MOLl C

ATOM 728 CG PROA 95 64.798 -65.520 -32.099 1.00 80.78 MOLl C

ATOM 729 C PROA 95 62.309 -63.263 -33.474 1.00 77.32 MOLl C

ATOM 730 O PROA 95 62.249 -63.779 -34.587 1.00 82.32 MOLl O

ATOM 731 N TRP A 96 61.450 -62.336 -33.066 1.00 69.04 MOLl N

ATOM 732 CA TRP A 96 60.397 -61.862 -33.945 1.00 66.16 MOLl C

ATOM 733 CB TRP A 96 59.733 -60.631 -33.331 1.00 66.85 MOLl C

ATOM 734 CG TRP A 96 59.124 -60.900 -31.992 1.00 67.18 MOLl C

ATOM 735 CD2 TRP A 96 S8.857 -59.945 -30.961 1.00 67.83 MOLl C

ATOM 736 CE2 TRP A 96 58.234 -60.633 -29.902 1.00 67.54 MOLl C

ATOM 737 CE3 TRP A 96 59.081 -58.576 -30.830 1.00 70.92 MOLl C

ATOM 738 CD1 TRP A 96 58.666 -62.095 -31.530 1.00 71.15 MOLl C

ATOM 739 NE1 TRP A 96 58.129 -61.947 -30.271 1.00 69.68 MOLl N ATOM 740 CZ2 TRP A 96 57.835 -60.000 -28,736 1.00 68.19 MOLl c

ATOM 741 CZ3 TRP A 96 58.682 -57.948 -29.665 1.00 73.55 MOLl C

ATOM 742 CH2 TRP A 96 5B.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 MOLl C ATOM 744 O TRP A 96 61.995 -60.B36 -35.418 1.00 64.70 MOLl O ATOM 745 N THR A 97 60.387 -62.05B -36.374 1.00 59.27 MOLl N ATOM 746 CA THR A 97 60.917 -61.846 -37.711 1,00 60.60 MOLl C ATOM 747 CB THR A 97 61.405 -63.167 -38.259 1.00 60.68 MOLl C ATOM 748 OG1 THR A 97 60.391 -64.161 -38.061 1.00 58.89 MOLl O ATOM 749 CG2 THR A 97 62.645 -63 ,59B -37.526 1.00 61.36 MOLl C ATOM 750 C THR A 97 59.937 -61.239 -38.705 1.00 61.06 MOLl C ATOM 751 O THR A 97 58.726 -61.35B -38.544 1.00 69.11 MOLl 0 ATOM 752 N PHE A 98 60.463 -60.590 -39.739 1.00 54.88 MOLl IT ATOM 753 CA PHE A 98 59.615 -59.974 -40.756 1.00 50.50 MOLl C ATOM 754 CB PHE A 98 59.934 -58.484 -40.917 1.00 50.06 MOLl C ATOM 755 CG PHE A 98 59.553 -57.644 -39.743 1.00 51.18 MOLl C ATOM 756 CD1 PHE A 98 60.091 -57.882 -38.493 1.00 57.23 MOLl C ATOM 757 CD2 PHE A 98 58.649 -56.618 -39.B83 1.00 56.31 MOLl C ATOM 758 CE1 PHE A 98 59.728 -57.108 -37.396 1.00 51.93 MOLl C ATOM 759 CE2 PHE A 98 S3.284 -55.845 -38.791 1.00 58.59 MOLl C ATOM 760 CZ PHE A 98 58.827 -56.096 -37.549 1.00 52.32 MOLl C ATOM 761 C PHE A 98 59.793 -60.64B -42.107 1.00 48.51 MOLl C ATOM 762 O PHE A 98 60.632 -61.517 -42.279 1.00 52.64 MOLl O ATOM 763 N GLY A 99 58.986 -60.236 -43.067 1.00 49.51 MOLl N ATOM 764 CA GLY A 99 59.086 -60.799 -44.390 1.00 46.65 MOLl C ATOM 765 C GLY A 99 60.040 -59.922 -45.160 1.00 49.43 MOLl C ATOM 766 O GLY A 99 60.498 -58.888 -44.663 1.00 48.03 MOLl O ATOM 767 N GLN A 100 60.366 -60.340 -46.371 1.00 50.20 MOLl N ATOM 768 CA GLN A 100 61.262 -59.578 -47.211 1.00 49.98 MOLl C ATOM 769 CB GLN A 100 61.723 -60.441 -48.363 1.00 57.87 MOLl C ATOM 770 C3 GLN A 100 60.998 -61.778 -48.411 1.00 68.47 MOLl C ATOM 771 CD GLN A 100 59,849 -61.780 -49,397 1,00 70,21 MOLl C ATOM 772 OE1 GLN A 100 59.070 -62.737 -49.461 1.00 66.70 MOLl O ATOM 773 NE2 GLN A 100 59.745 -60.709 -50.183 1.00 65.68 MOLl N ATOM 774 c GLN A 100 60.534 -58.357 -47.723 1.00 49.56 MOLl C ATOM 775 O GLN A 100 61.161 -57.399 -48.161 1.00 54.53 MOLl O ATOM 776 N GLY A 101 59.207 -58.395 -47.SS7 1.00 47.46 MOLl N ATOM 777 CA GLY A 101 SB.400 -57.277 -48.110 1.00 50.03 MOLl C ATOM 773 C GLY A 101 ΞΒ.022 -57.342 -49.576 1.00 50.81 MOLl C ATOM 779 O GLY A 101 58.829 -57.745 -50.410 1.00 56.79 MOLl O ATOM 780 N THR A 102 56.796 -56.932 -49.B90 1.00 47.60 MOLl N ATOM 781 CA THR A 102 56.3C5 -56.952 -51.258 1.00 40.57 MOLl C ATOM 782 CB THR A 102 55.035 -57.737 -51.366 1.00 37.32 MOLl C ATOM 783 OGl THR A 102 55.265 -59.080 -50.931 1.00 38.63 MOLl O ATOM 784 CG2 THR A 102 54.548 -57.713 -52.789 1.00 37.75 MOLl C ATOM 785 C THR A 102 55.991 -55.557 -51.714 1.00 41.46 MOLl C ATOM 786 O THR A 102 55.229 -54.862 -51.068 1.00 45.54 MOLl O ATOM 787 N LYS A 103 56.569 -55.138 -52.827 1.00 45.04 MOLl N ATOM 788 CA LYS A 103 56-305 -53.795 -53.304 1.00 48.50 MOLl C ATOM 789 CB LYS A 103 57.573 -53.127 -53.850 1.00 49.21 MOLl C ATOM 790 CG LYS A 103 57.312 -51.723 -54.383 1.00 57.11 MOLl C ATOM 791 CD LYS A 103 58.550 -51,076 -54.977 1.00 63.39 MOLl C ATOM 792 CE LYS A 103 59.560 -50.704 -53.914 1.00 69.51 MOLl C ATOM 793 NZ LYS A 103 60.818 -50.204 -54.539 1.00 78.00 MOLl H ATOM 794 C LYS A 103 EE.256 -53.843 -54.383 1.00 49.26 MOLl C ATOM 795 O LYS A 103 55-372 -54.598 -55.346 1.00 52.49 MOLl O ATOM 796 N VAL A 104 54.219 -53.038 -54.205 1.00 49.35 MOLl N ATOM 797 CA VAL A 104 53.135 -52.957 -55.168 1.00 42.36 MOLl C ATOM 798 CB VAL A 104 51.783 -52.894 -54.469 1.00 33.97 MOLl C ATOM 799 CGI VAL A 104 50.715 -52.58B -55.481 1.00 32.23 MOLl C ATOM 800 CG2 VAL A 104 51.540 -54.173 -53.674 1.00 28.43 MOLl C ATOM 801 C VAL A 104 53.344 -51.676 -55.942 1.00 46.45 MOLl C ATOM 802 O VAL A 104 53.462 -50.605 -55.346 1.00 46.72 MOLl O ATOM 803 H GLU A 105 53.411 -51.789 -57.264 1.00 51.41 MOLl N ATOM 804 CA GLU A 105 53.619 -50.629 -58.122 1.00 54.71 MOLl C ATOM 805 CB GLU A 105 54.998 -50.708 - 58.783 1.00 63.51 MOLl C

ATOM soe CG GLU A 105 56.174 -50.756 -57.799 1.00 67.96 MOH C

ATOM 807 CE 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.Ξ21 -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 ILEA 106 52.016 -46.794 -60.970 1.00 61.54 MOL1 C

ATOM 816 CGI ILE A 1D6 49.673 -47.476 -61.688 1.00 73.48 MOL1 C

ATOM 817 CD1 ILEA 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 ILEA 106 52.576 -49.281 -62.616 1.00 52.58 MQL1 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 CH 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 82B O LYS A 107 49.899 -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 H

^ 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 MODI C

ATOM 833 CD ARG A 10B 53.482 -46.405 -67.515 1.00 13.10 MOL1 C

ATOM 834 NE ARG A 108 53.424 -46.544 -68.961 1.00 27.26 MODI N

ATOM 835 CZ ARG A 108 53.711 -45.570 -69.812 1.00 31,83 M0L1 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 53.565 -45.790 -71.118 1.00 32.92 MODI N

ATOM 838 C ARG A 108 51.502 -49.757 -68.555 1.00 5D.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 MOL1N

ATOM 841 CA THR A 109 51.473 -49.344 -70.926 1.00 43.13 MOL1C

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 MODI C

ATOM 848 O THR A 109 53.67B -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 84 8 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 MODI 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 652 OD2 ASP A 110 55.347 -54.132 -72.653 1.00 53.88 MODI 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 ΚΓ ALA A 111 56.776 -4B.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 MODI C

ATOM 85B 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 46.65 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 M

ATOM 866 CD PRO A 113 63.460 -48.608 -73.564 1.00 42.32 MOL1 C

ATOM E67 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 MODI C

ATOM 870 C PRO A 113 S4.416 “45.373 -74.089 1.00 41.43 MOLl C ATOM 871 0 PRO A 113 64.492 -45.715 -75.271 1.00 43.93 MOIil O ATOM 872 N THR A 114 64,857 -44.211 -73.623 1.00 43.96 MOLl IT ATOM 873 CA THR A 114 55.Ξ05 -43.217 -74.465 1.00 45.40 MOLl C ATOM 874 CB THR A 114 64.862 -41.Θ5Θ -74.262 1.00 42.40 MOL1 C ATOM 875 0G1 THR A 114 63.582 -42.033 -73.645 1.00 50.43 MOLl O ATOM 876 CG2 THR A 114 64.661 -41.177 -75-580 1-00 47.99 MOLl C ATOM 877 C THR A 114 66.933 -43.146 -73.980 1.00 45.69 MOLl C ATOM 878 O THR A 114 67.202 -42.525 -72.955 1.00 44.29 M0L1 0 ATOM 879 N VAL A 115 67.844 -43.772 -74.721 1.00 49.35 MOIil 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 MOLl C ATOM 882 CGI VAL A 115 71.027 -45,497 -73.935 1.00 52.20 MOL1 C ATOM 883 CG2 VAL A 115 6Θ.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 SERA 116 72.047 -41.262 -74,216 1.00 49.64 MOL1 C ATOM 888 CB SERA 116 71.497 -40.025 -73.494 1.00 52.26 MOL1 C ATOM 889 0G SER A 116 70.077 -39.999 -73.500 1.00 44.31 MOL1 O ATOM 890 C SERA 116 73.411 -41.610 -73.629 1.00 45.36 MOL1 C ATOM 891 O SERA 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 ILK 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 B95 CG2 ILE A 117 76.462 -42.512 -76.169 1.00 27.33 MOL1 C ATOM 896 CGI ILE A 117 77.796 -43.242 -74.217 1.00 37.61 MOL1 C ATOM 897 CD1 ILE A 117 7B.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 7B.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.B62 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 -71.378 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 -36.188 -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 M0L1 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 B5.638 -39.177 -70-D02 1.00 43.37 MOL1 C ATOM 922 CG PRO A 120 85.313 -40.442 -70-707 1.00 39.57 M0L1 C ATOM 923 C PRO Λ 120 84.537 -36,883 -70.112 1.00 60.86 MOLl C ATOM 924 O PRO A 120 85.027 -36.331 -71.094 1.00 62.52 MOLl O ATOM 925 N SER A 121 84.160 -36.202 -69.041 1.00 64.67 MOLl N ATOM 926 CA SER A 121 84.322 -34.765 -69.001 1.00 66.66 MOLl C ATOM 927 CB SER A 121 83.800 -34.230 -67.683 1.00 70.09 MOLl C ATOM 928 OG SER A 121 84.417 -34.910 -66.611 1.00 64.51 MOLl O ATOM 929 c SERA 121 85.793 -34.443 -69.125 1,00 71.01 MOLl C ATOM 930 O SERA 121 86.617 -35.034 -68.435 1.00 71,34 MOLl O ATOM 931 N SERA 122 86.130 -33,507 -70.005 1.00 76,31 MOLl N ATOM 932 CA SER A 122 87.529 -33.127 -70.176 1.00 76.37 MOLl C ATOM 933 CB SERA 122 87.691 -31.970 -71.165 1.00 72.40 MOLl C

ATOM 934 OG SERA 122 86.954 -30.333 -70.723 1.00 76.66 MOL1 O

ATOM 335 C SEE A 122 88.069 -32.723 -63.814 1.00 77.11 MOM C

ATOM 336 O HER A 122 89.214 -33.012 -68.484 1.00 77.76 MOM O

ATOM 337 N OLD ft 123 87.234 -32.063 -68.019 1.00 78.60 MOM. M

ATOM 33B CA GIiU A 123 87.647 -31.656 -66.684 1.00 81.77 MQL1 G

ATOM 339 CB GWJ A 123 86.547 -30.857 -S5.S66 1.00 83.IS MOM C

ATOM 940 CG SL8 Ã 123 85.145 -31.113 -65.475 1.00 30.86 MOM C

ATOM 341 CD GUI A 123 84.764 -30.199 -67.631 1.00 96.41 MOM C

ATOM 942 OE1 GLLF A 123 84.556 -28.990 -67.387 1.00101.D6 MODI O

ATOM 943 OE2 GUI A 123 B4.676 -30.682 -68.782 1.00 99.78 MQL1 O

ATOM 944 C GHJ A 123 B7.992 -32.830 -65.867 1. OC 80.63 MOM C

ATOM 345 O GUI A 123 88.842 -32.035 -64.982 1.00 83.59 MOM O ATOM 346 N QMT A 124 87.337 -34.005 -66.171 1.00 73.38 MODI »

ATOM 947 CA GLK A 124 87.586 -35.251 -65.456 1.00 78.06 MOL1 C

ATOM 348 CB GDM A 124 86.502 -35.281 -65.751 1.00 73.86 MOM C

ATOM 949 CG GLN A 124 86.739 -37.820 -65.071 1.00 59.63 MOM C

ATOM 950 CD GLKF A 124 85.575 -38.587 -65.238 1.00 54.29 MOM C

ATOM 951 GE1 GLiN A 124 85.458 -39.551 -64,480 1.00 45.01 MOM O

ATOM 952 NE2 GLS A 124 84.713 -38.338 -66.232 1.00 42.63 MOM N

ATOM 953 C 3LH A 124 88.904 -35.B53 -65.857 1.00 79.64 MOM C

ATOM 954 O GLN A 124 89.715 -36.222 -65.010 1.00 81.32 MOL.1 O

ATOM 955 H LED A 125 89.105 -35.971 -67.162 l.QO 81.92 MOM H

ATOM 956 CA IiBU A 125 90.333 -36.553 -67.675 1.00 84.75 MOM C

ATOM 957 CB DEO A 125 90.36S -36.466 -59.199 1.00 77.26 MOM C

1*9 ATOM 958 CG DEO A 125 89.469 -37.SQ7 -69.872 1.00 69.34 MODI C

ATOM 959 CD1 DEO A 125 89.519 -37.371 -71.373 1.00 68.70 MOM C

ATOM 960 CD2 LEO A 125 89.937 -38.381 -59.476 1.00 67,26 MODI C

ATOM 961 C LSD A 125 91.567 -35.908 -67.059 1.00 89.76 MOM C

ATOM 962 O LED A 125 92.572 -36.579 -66.826 1.00 91.29 MOM O

ATOM 963 N THR A 126 91.486 -34.614 -66,775 1.00 92.21 MOM N

ATOM 964 CA THR A 12€ 92.597 -33,914 -66.158 1.00 92.08 MODI C

ATOM 965 CB THR A 126 92.426 -32.407 -66.302 1.00 90.10 MOM C

ATOM 966 OG1 THR A 126 92.228 -32.088 -67.685 1.00 89.96 MQLl O

ATOM 967 CG2 THR A 126 93.660 -31.685 -65.795 1.00 91,12 MOM C

ATCM 968 C THR A 126 92.631 -34.286 -64.679 1.00 94.73 MOM C

ATOM 969 O THR A 126 92.619 -33.422 -63.806 1.00 99.63 MOM O

ATOM 970 N SERA 127 92.S5S -35.589 -64.414 1.00 95.33 MOL1 N

ATOM 971 CA SER A 127 92,680 -36.125 -63.057 1.00 96.51 MOL! C

ATOM 972 CB SER A 127 91.344 -35.912 -62.351 1-00 94.61 MOM C

ATCM 973 OG SER A 127 91.190 -34.577 -61.908 1.00 95.83 MOM O

ATOM 974 C SBR A 127 92.992 -37.617 -63.098 1.00 97.65 MOM C ATOM 975 O SER A 127 92.757 -38.336 -62.125 1.00 97.78 MOL1 0

ATOM 976 II GBY A 128 93.497 -38.080 -64,237 1.00 97.27 MODI N

ATOM 977 CA GLY A 128 93.838 -39.485 -64.383 1.00 97.12 MDM C

ATOM 978 C GLY A 128 92.659 -40.439 -64.311 1.00 94.12 MODI C

ATOM 979 O QJjY A 128 92.819 -41.646 -64.059 1.00 93.78 MOM G

ATOM 980 N GLY A 129 91.468 -39.902 -64,533 1.00 87.00 MOM N

ATOM 981 CA GliY A 129 90.285 -40.734 -64.495 1.00 78.41 MOM C

ATOM 982 C GBY A 129 89.327 -40.361 -65.599 l.QO 69.02 MOM C

ATOM 983 O GI>Y A 129 89,384 -39.249 -66.119 1.00 70.34 MDM O

ATOM 984 N AtiA A 130 88.448 -41,293 -65.954 1.00' 60,37 MODI N

ATOM 98Ξ CA ABA A 130 87.456 -41,070 -66.999 1.00 52.28 MOL1 C

ATCM 986 CB ALA A 130 88.084 -41.260 -68.331 1.00 46.85 MOM C

ATCM 9B7 C ALA A 130 86.258 -42.007 -66.853 1.00 48.05 MOM C

ATOM 588 Ο MA A 130 86.424 -43.213 -66.694 1.00 41.74 MOM O

ATCM S89 N SERA 131 85.055 -41.441 -66Í925 1.00 43.74 MOM H

ATOM 990 CA SERA 131 B3.834 -42.207 -66.700 1.00 40.24 MOM C

ATOM 991 CB SERA 131 83.094 -41.778 -65.526 1.00 31,45 MOM C

ATOM 992 OG SERA 131 83.790 -42.166 -64.358 1.00 41.51 MOM O

ATOM 993 C SER A 131 82.922 -41.984 -67.950 1.00 43.06 MOM C

ATOM 994 O SER A 131 82.745 -40.851 -68.375 1,00 52.63 MOM, O

ATOM 995 M VAB A 132 S2.336 -43.063 -68.465 1.00 41.32 MOM N

ATOM 996 CA 7A1 Λ 132 81.400 -42.371 -69.573 1.00 37.90 HOil C

ATOM 99? CB VAL· A 132 81,650 -44.038 -70.600 1.00 38.60 MOM C

ATOM 998 CGI 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 031 VAL A 133 76.000 -41.233 -67.297 1.00 26.03 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 40.33 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 72.49B -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 -59.849 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 D 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 M0L1 N ATOM 1051 CA PHE A 139 60.772 -46.773 -59.735 1.00 37.47 MOL1 C ATOM 1052 CB PHE A 139 62.024 -47.555 -70.150 1.00 33. S6 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 37.83 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 3.062 CA TW A 140 58.406 -49.571 -68.740 1.00 34.87 MOLl C

ATOM 1063 CB TYR A 140 57.048 -48.911 -68.582 1.00 32.07 MOLl C

ATOM 1064 CG TYR A 140 56.178 -49.612 -67.580 1.00 32,18 MOLl C

ATOM 1065 CD1 TYR A 140 56.275 -49.319 -66 .23B 1.00 29.24 MOLl C

ATOM 1066 CE1 TYR A 140 55.558 -50.017 -65.312 1.00 32.32 MOLl C

ATOM 1067 CD2 TYR A 140 55.326 -50.623 -67.964 1.00 28.25 MOLl C

ATOM 1068 CE2 TYR A 140 54.609 -51.325 -67.037 1.00 26.33 MOLl C

ATOM 1069 CZ TYR A 140 54.732 -51.022 -65.719 1.00 25.07 MOLl C ATOM 1070 OH TYR A 140 54.060 -51.756 -64.783 1.00 36.48 MOLl 0

ATOM 1071 C TYR A 140 58.248 -50.879 -69.507 1.00 34,41 MOLl C

ATOM 1072 O TYR A 140 58.002 -50.874 -70.722 L.00 42.98 MOLl O

ATOM 1073 N PRO A 141 58.279 -52.017 -68.814 1.00 29.07 MOLl N

ATOM 1074 CD PROA 141 57.905 -53.293 -69 .443 1.00 29.25 MOLl C

ATOM 1075 CA PRO A 141 58.450 -S2.164 -67.372 1.00 34.44 MOLl C

ATOM 1076 CB PRO A 141 58.049 -53.616 -67.119 1.00 38.89 MOLl C

ATOM 1077 CG PRO. A 141 58.319 -54.293 -68.420 1.00 30.33 MOLl C

ATOM 1078 C PRO A 141 59.856 -51.847 -66.909 1.00 40.54 MOLl C

ATOM 1079 O PRO A 141 60.685 -51.408 -67.704 1.00 43.11 MOLl O

ATOM 1080 N LYS A 142 60.130 -52.076 -65.626 1.00 44.63 MOLl N

ATOM 1081 CA LYS A 142 61.445 -51.758 -65.077 1.00 48.29 MOLl C

ATOM 1082 CB LYS A 142 61.361 -51.566 -63.557 1.00 49.32 MOLl C

ATOM 1083 CG LYS A 142 60.855 -52.783 -62.805 1.00 65.69 MOLl C

ATOM 10B4 CD LYS A 142 60.636 -52.527 -61.309 1.00 65.89 MOLl C

,1,,ATOM 1085 CE LYS A 142 60.122 -53.799 -60.621 1.00 70.08 MOLl C

ATOM 1086 NZ LYS A 142 59.673 -53.597 -59.215 1.00 70.23 MOLl N

ATOM 1087 C LYS A 142 62.532 -52.758 -65.417 1.00 48.98 MOLl C ATOM 1088 0 LYS A 142 63.711 -52.414 -65.400 1.00 49.13 MOLl 0

ATOM 1089 N ASP Λ 143 62.146 -53.991 -65.722 1.00 49.38 MOLl N

ATOM 1090 CA ASP A 143 63.121 -55.004 -66,072 1.00 51.81 MOLl C

ATOM 1091 CB ASP A 143 62.405 -56.349 -66.242 1.00 59.75 MOLl C

ATOM 1092 CG ASP A 143 63.287 -57.415 -66.886 1.00 72.97 MOLl C

ATOM 1093 ΟΌ1 ASP A 143 63.166 -57.631 -68.120 1.00 77.86 MOLl O

ATOM 1094 OD2 ASP A 143 64.103 -58.033 -66.160 1.00 77.34 MOLl O

ATOM 1095 C ASP A 143 63.815 -54.575 -67.358 1.00 47.42 MOLl C

ATOM 1096 O ASP A 143 63.174 -54.496 -68,406 1.00 53. B1 MOLl O

ATOM 1097 N 1LE A 144 65.109 -54.274 -67.280 1.00 41.26 MOLl N

ATOM 1098 CA ILE A 144 65.866 -S3.860 -68.458 1.00 38.16 MOLl C

ATOM 1099 CB ILEA 144 65.852 -52.337 -68.629 1.00 30.07 MOLl C

ATOM 1100 CG2 ILE A 144 66.828 -51.680 -67.685 1.00 20.04 MOLl C

ATOM 1101 CGI ILE A 144 66.262 -51.973 -70.045 1.00 30.24 MOLl C

ATOM 1102 CD1 ILE A 144 66.502 -50.492 -70.220 1.00 31.80 MOLl C

ATOM 1103 C ILE A 144 67.289 -54.332 -68.292 1.00 46.52 MOLl C

ATOM 1104 0 ILEA 144 67.712 -54.630 -67.178 1.00 60.07 MOLl O

ATOM 1105 N ASM A 145 68.040 -54.386 -69.383 1.00 49.45 MOLl N

ATOM 1106 CA ASHA 145 69.409 -54.870 -69.312 1.00 52.69 MOLl C

ATOM 1107 CB ASM A 145 69,427 -56.322 -69.79B 1.00 60.84 MOLl C

ATOM 1108 CG ASN A 145 70.821 -56.857 -69.996 1.00 70.72 MOLl C

ATOM 1109 OD1 ASN A 145 71.513 -57.186 -69.028 1,00 81.BO MOLl O

ATOM 1110 ND2 ASN A 145 71.252 -56.945 -71.255 1.00 68. B1 MOLl N

ATOM 1111 C ASN A 145 70.379 -54.037 -70.131 1.00 46.40 MOLl C

ATOM 1112 0 ASN A 145 70.174 -53.853 -71.309 1.00 50.05 MOLl O

ATOM 1113 N VAL A 146 71.440 -53.549 -69.501 1.00 45.51 MOLl N

ATOM 1114 CA VAL A 146 72.448 -52.755 -70.183 1.00 40.80 MOLl C

ATOM 1115 CB VAL A 146 72.802 -51.540 -69.377 1.00 33.02 MOLl C

ATOM 1116 CGI VAL A 146 73.935 -50.820 -70.011 1.00 39.18 MOLl C

ATOM 1117 CG2 VAL A 146 71.634 -SO.644 -69.307 1.00 37.76 MOLl C

ATOM 1118 C VAL A 146 73.72B -53.539 -70.413 1.00 45.59 MOLl C ATOM 1119 O VAL A 146 74.178 -54.270 -69.537 1.00 53.43 MOLl 0

ATOM 1120 N LYS A 147 74.312 -53.381 -71.595 1.00 45.17 MOLl N

ATOM 1121 CA LYS A 147 75.546 -54.062 -71.934 1.00 41.57 MOLl C

ATOM 1122 CB LYS A 147 75.288 -55.121 -73 .003 1.00 35.13 MOLl C

ATOM 1123 CG LYS A 147 76.499 -55.994 -73 .323 1.00 48.78 MOLl C

ATOM 1124 CD LYS A 147 76.275 -56.963 -74.494 1.00 56.43 MOLl C

ATOM 1125 CE LYS A 14 7 75.326 - 58.104 -74.138 2.00 63.35 MOLl C

ATOM 1126 NZ LYS A 147 74.942 -58.897 -75,338 1.00 68.95 MOLL 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 TRF A 148 77.764 -53.046 -71.925 1.D0 43.56 MOL1 N ATOM 1130 CA TRF A 148 78.794 -52.119 -72.386 1.00 36.05 MOL1 C ATOM 1131 CB TRF 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 -70.6 85 1.00 19.65 MOL1 C ATOM 1134 CE2 TRP A 148 77.996 -48.575 -69.713 1.O0 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 KOLl 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 S 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 1.0D 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 1.0D 55.61 MOL1 O ATOM 1152 N ILE A 150 83.590 -52.028 -75.27S 1.00 49.76 MOL1 N ATOM 1153 CA ILEA 150 84.721 -51.210 -75.683 1.00 52. B7 MOL1 C ATOM 1154 CB ILEA 150 85.764 -51.046 -74.605 1.00 45.48 MOL1 C ATOM H55 CG2 ILEA 150 86.757 -50.004 -75.057 1.00 38.52 MOL1 C ATOM 1156 CGI ILEA 150 85.114 -50.591 -73.302 1.00 43.30 MODI C ATOM 1157 CD1 ILE A 150 86.118 -50.230 -72.233 1.00 45.01 MODI C ATOM 1158 C ILEA 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 MOLIO ATOM 1150 N ASP A 151 85.444 -51.132 -77.971 1.00 59.45 MOL1 N ATOM 1151 CA ASP A 151 85.049 -51.648 -79.183 1.00 57.43 MOL1 C ATOM 1152 CB ASP A 151 87.559 -51.826 -79.013 1.00 55.63 MOL1 C ATOM 1153 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 1155 OD2 ASP A 151 89.582 -50.588 -79.050 1,00 55.18 MOL1 O ATOM 1156 C ASP A 151 85.441 -52.975 -79.593 1.00 52.93 MOL1 C ATOM 11S7 O ASP A 151 86.107 -53.B01 -80.190 1.00 56.66 MOL1 O ATOM 1158 N GLY A 152 84.183 -53.193 -79.252 1.00 52.23 MOL1 H ATOM 1159 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 SERA 153 84.137 -55.438 -77.574 1.00 58.80 MOL1 N ATOM 1173 CA SERA 153 84.077 -56.481 -76.561 1.O0 52.16 MOL1 C ATOM 1174 CB SERA 153 83.490 -56.860 -76 .129 1.00 50.58 MOL1 C ATOM 1175 OG SERA 153 86.242 -57.306 -77.239 1.00 53.22 MOL1 O ATOM 1176 C SERA 153 83.2B0 -56.051 -75.353 1.00 46.06 MOL1 C ATOM 1177 O SERA 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 M0L1 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 7B.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 MODI C ATOM 1186 O GLU A 154 83-396 -57.253 -72.001 1.00 40.37 MOLL O ATOM 1187 N ASG A 155 B2.169 -55.432 -71.637 1.00 43.14 MOL1 H ATOM 1188 CA ARG A 155 82.845 -55.045 -70.407 1.00 51.06 MOLil C ATOM 1189 CB ARG A 155 83.349 -53.614 -70.570 1.00 46.94 MOL1 C

ATOK 1190 CG MG ã 155 84.389 -53.150 -59.581 1.00 57.47 MOLI C

ATOM 1191 CD MS A 155 85.765 -53.690 -69.926 1.00 64.96 MOLI C

ATOM 1132 HE ARS A 155 B6.819 -52.963 -69.222 1.00 71.72 KGL1 M

ATOK 1133 CZ ARG A 155 66.825 -52.725 -67.313 1.00 69.39 C

ATOM 1194 Mil ARG A 155 85.831 -S3.15C -67.151 1.00 71.63 KOLl N

ATOM 1195 NH2 ARG A 155 87.837 -52.072 -67.365 1.00 66.54 KQL1 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 -59.330 1.00 55.24 MOLI G

ATOM 1198 N Gi>H A 156 32,231 -55,696 -68,124 1.00 55.04 MODI M

ATOM 1199 CA GLM A 156 81.323 -55.783 -66.986 1.00 58.54 MOLI C

ATOM 1200 C3 3LN A 156 81.004 -57.229 -66.615 1.00 61.59 MOLI C

ATOM 1201 CG 3LH A 156 80,438 -58.075 -67.737 1.00 79.38 MOM. C

ATOM 1202 CD GLR A 156 79.966 -59.440 -67.262 1.00 87.41 MOLX C

ATOM 1203 0E1 GLB A 156 80.640 -60.102 -66,468 1.00 93.29 MODI G

ATOM 1204 NE2 SDN A 156 78.805 -59.873 -67.755 1.00 89.51 MOL1 H

ATOM 1205 C GLN A 156 81.928 -55.130 -65.778 1.00 59.64 MOLI C

ATOM 1206 O GIN A 156 81.261 -54.408 -65.OSS 1.00 66.86 MOLI O

ATOM 1207 N ASK A 157 83.199 -55.395 -65.546 1.00 63.25 SOU S

ATOM 1208 CA ASK A 157 83.864 -54 .823 -64.394 1.00 71.10 MOLI C

ATOM 1209 CB ASHA 157 85.283 -55.394 -64.247 1.00 86.83 MOLI C

ATOM 1210 CG ASK A 157 85,302 -56.760 -63.568 1.00 98.45 MQL1 C

ATOM 1211 OD1 ASK A 157 84.663 -57.717 -64,031 1.00103.27 MOL1G

ATOM 1212 ND2 ASK A 157 86.042 -56.857 -62.463 1.00102.54 MOLI N

4 ATOM 1213 C ASK A 157 83.936 -53.316 -64.490 1.00 65.06 MOLX C

ATOM 1214 0 ASK A 157 84.121 -52.756 -65.555 1.00 58.63 MODI O

ATOM 1215 N GEY A 158 83.781 -52.661 -63.355 1.00 66.40 MDLl N

ATOM 1216 CA GLY A 158 83.860 -51.222 -63.340 1.00 65.80 MOLI C

ATOM 1217 C GLY A 158 82.532 -50.549 -63,763 1.00 60.11 MOLI C

ATOM 1218 O GLY A 158 82.597 -49.387 -64.163 1.00 66.36 MOLIO

ATOM 1219 N VAL A 159 81,470 -51.268 -$3.691 1-00 52.44 MOLI N

ATOM 1220 CA VAL A 159 80.195 -50.670 -64.060 1.00 41.97 MOL2 C

ATOK 1221 CB VAL A 159 79.426 -51.493 -65.090 1.00 27.90 MOLI C

ATOK 1222 CGI VAL A 159 7S.09Q -50.86? -65.301 1.00 28.67 MOLI C

ATOM 1223 CG2 VAL A 159 80.148 -51,523 -66.4ÔB 1.00 15.19 MOLI C

ATOM 1224 C VAL A 159 79.236 -50.500 -62.862 1.00 42.76 MOLI C

ATOM 1225 O VAL A 159 79.097 -52.424 -62.075 1.00 48.52 MOLI O

ATGM 1226 N LECT A 260 78.725 -49.307 -62,730 1.00 42.26 MOLI N

ATOK 1227 CA LEU A 160 77.820 -48.994 -61.632 1.00 45.51 MOLI C

ATOM 1228 CB LEU A ISO 78.399 -47.914 -60.728 1.00 40.24 MOLI C

ATOM 1229 CG LEÍI A 160 79.395 -48.483 -59.731 1.00 46.31 MOLI C

ATOK 1230 CD1 LEU A 160 79.255 -47.725 -58.429 1.00 43.90 MOLI C

ATOK 1231 CDS LEU A 160 79.122 -49.969 -59.515 1.0Q 38.91 MOLI C

ATOK 1333 C LEO A 160 76.470 -48,517 -62,121 1.00 46.77 HQI4. C

ATCM 1233 G LEU A 260 76.371 -47.542 -$2,854 1.00 4$.73 MODI O

ATOM 1234 N ASM A 161 75.421 -49.198 -61.634 1.00 48.44 »OLl N

ATOM 1235 CA ASHA 161 74.076 -48.346 -62.090 1.00 41.68 MOLI C

ATOM 1236 CB ASK A 161 73.372 -50.060 -62,683 1.00 31.00 MOLI C

ATOM 1237 CG ASK A 161 74.031 -50,548 -63.539 1.00 33.80 MOLL C

ATOM 1238 OD1 ASK A 161 74.470 -49.752 -$4.760 1.00 44.82 MOLI D

ATOM 1239 ND2 ASM A 161 74.098 -51.859 -64.203 1.00 31.39 MOLI H

ATOM 1240 C ASHA 161 73.239 -48.323 -60.953 1.0D 40.97 MOLI C

ATOM 1241 O ASK A 161 73.439 -48.691 -59.800 1,00 48.68 MOLI O ATOM 1242 H SERA 162 72.284 -47.483 -61.299 1.00 42.52 MOLI f?

ATOM 1243 CA SERI 162 71.360 -46.920 -60,335 1,00 47.61 MOLI C

ATOM 1244 CB SERA 162 71.866 -45.59Q -59.816 1.00 44.97 MOLI C

ATOM 1245 OG SER A 162 70.996 -45.115 -58.308 1.00 56.75 MOLI O

ATOM 1246 C SER A 162 70.011 -46,692 -60.991 1.00 51.05 MOLX C ATOM 1247 G SER A 162 69.925 -45.990 -S1.SS5 1.00 52.94 MOLI 0

ATOM 1248 N TRP A 163 68.958 -47.279 -$0,426 1.00 53.80 MOLI N

ATOM 1249 CA OTA 163 67.607 -47.112 -60.970 1.00 56.76 MOLI C

ATOM 1250 CB TAP A 163 66.916 -48.468 -61.105 1,00 56.83 MOLI C

ATOM 1251 CG TRP A 163 67,638 -49.460 -61.963 1.00 71.33 MOLI C

ATCM 1252 CD2 TAP A 163 68.714 -50.316 -61.561 1.00 75.62 MOLI C

ATCM 1253" CE2 ISPS 163 $9.028 -51.141 -$2.663 1.00 74.63 MOLI C

ATOM 1254 CE3 TRP A 163 6S.438 -50.468 -60.375 1.00 B2.34 MOL1 C

ATOM 1255 CD1 TRP A 163 67,359 -49.785 -63.259 1,00 73.47 MOLl C

ATOM 1256 NE1 TRP A 163 68.188 -50.7S& -63.SB7 1.00 71.93 MOLl N

ATOM 1257 CZ2 TRP A 163 70.031 -52.104 -62.514 1.00 85.23 MOLl 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 M0L1 C

ATOM 1260 C TRP A 163 66.737 -46.208 -60.D&5 1.00 55.98 MOLl C

ATOM 1261 O TRP A 163 66.921 -46.138 -58.B73 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.B4 MOLl 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 M0L1 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 MOLl C

ATOM 1268 O THR A 164 63.308 -46.466 -60.169 1.00 58.45 MOLl O

ATOM 1269 N ASP A 165 62.653 -44.688 -58.970 1.00 62.09 MOLl N

ATOM 1270 CA ASP A 165 61.343 -45.251 -58.674 1.00 66.67 MOLl C

ATOM 1271 CB ASP A 165 60.917 -44.820 -57.280 1.00 80.07 MOLl C

ATOM 1272 CG ASP A 165 62.003 -45.043 -56.252 1.00 92.52 MOLl C

ATOM 1273 OD1 ASP A 165 62.051 -46.153 -55.671 1.00 95.82 MOLl O

ATOM 1274 OD2 ASP A 165 62.817 -44.109 -56.044 1.00 99.11 MOLl O

ATOM 1275 C ASP A 165 60.324 -44.762 -59.688 1.00 63.72 MOLl C

ATOM 1276 O ASP A 165 60.561 -43.785 -60.393 1.00 66.68 MOLl O

ATOM 1277 W GLN A 166 59.182 -45.425 -59.754 1.00 56.44 MOLl N

ATOM 1278 CA GLN A 166 58.178 -45.033 -60.713 1.00 58.67 MOLl C

ATOM 1279 CB GLN A 166 56.908 -45.819 -60.432 1.00 59.19 MOLl C

ATOM 1280 CG GLN A 166 56.084 -46.112 -61.663 1.00 58.86 MOLl C

ATOM 1281 CD GLN A 166 55.394 -47.459 -61.S81 1.00 64.40 MOLl C

ATOM 1282 OE1 GLN A 166 55.010 -47.911 -60.499 1.00 64.45 MOLl O

ATOM 1283 NE2 GLN A 166 55.223 -48.104 -62.726 1.00 66.99 MOLl N

ATOM 1284 C GLN A 166 57,950 -43.520 -60.653 1.00 52.82 MOLl C

ATOM 1285 O GLN A 166 57.456 -42.996 -59.658 1.00 68.37 MOLl O

ATOM 1286 N ASP A 167 58,342 -42.816 -61.714 1.00 65.41 MOLl N

ATOM 1287 CA ASP A 167 58.188 -41,364 -61.760 1.00 66.30 MOLl C

. ATOM 1288 CB ASP A 167 58.740 -40.756 -63.042 1.00 70.81 MOLl C

ATOM 1289 CG ASP A 167 58.354 -39.276 -63.197 1.00 72.23 MOLl C

ATOM 1290 OD1 ASP A 167 SB.940 -38.401 -62.506 1.00 73.65 MOLl O

ATOM 1291 OD2 ASP A 167 57.451 -38.994 -64.012 1.00 68.65 MOLl O

ATOM 1292 C ASP A 167. 56.749 -40.953 -61-658 1,00 65.57 MOLl C

ATOM 1293 O ASP A 167 55.985 -41.154 -62.588 1.00 64.53 MOLl O

ATOM 1294 N SERA 168 56.411 -40.346 -60.523 1.00 73.23 MOLl N

ATOM 1295 CA SERA 168 55.066 -39.872 -60.208 1.00 74.94 MOLl C

ATOM 1296 CB SERA 168 55.128 -38,780 -59.149 1.00 71.48 MOLl C ATOM 1297 OG SER A 168 55.701 -37.605 -59.694 1.00 75.17 MOLl 0

ATOM 1298 C SERA 168 54.254 -39.353 -61.387 1.00 79.14 MOLl C

ATOM 1299 O SERA 168 53.053 -39.603 -61.455 1.00 84.23 MOLl O

ATOM 1300 N LYS A 169 54.880 -38.629 -62.311 1.00 80.12 MOLl N

ATOM 1301 CA LYS A 169 54.130 -38.123 -63.455 1.00 80.42 MOLl C

ATOM 1302 CB LYS A 169 54.921 -37.044 -64.185 1.00 84.94 MOLl C

ATOM 1303 CG LYS A 169 55.039 -35.736 -63.406 1.00 94.72 MOLl C

ATOM 1304 CD LYS A 169 53.685 -35.073 -63.163 1.00 98.23 MOLl C

ATOM 1305 CE LYS A 169 53.842 -33.610 -62.697 1.00102.08 MOLl C

ATOM 1306 NZ LYS A 169 54.350 -32.673 -63.761 1.00 97.72 MOLl N

ATOM 1307 C LYS A 169 53.656 -39.208 -64.441 1.00 80.54 MOLl C ATOM 1308 O LYS A 169 52.453 -39.429 -64.560 1.00 83.84 MOLl 0

ATOM 1309 N ASP A 170 54.568 -39.900 -65.126 1.00 72.17 MOLl N

ATOM 1310 CA ASP A 170 54.145 -40.923 -66.077 1.00 61.39 MOLl C

ATOM 1311 CB ASP A 170 54.832 -40.683 -67.401 1.00 59.48 MOLl C

ATOM 1312 CG ASP A 170 56.303 -40.674 -67.257 1.00 59.53 MOLl C ATOM 1313 OD1 ASP A 170 57.002 -40.408 -68.264 1.O0 63.71 MOLl 0

ATOM 1314 OD2 ASP A 170 56.740 -40.942 -66.114 1.00 48.77 MOLl O

ATOM 1315 C ASP A 170 54.357 -42.372 -65.631 1.00 56.39 MOLl C

ATOM 1316 O ASP A 170 54.340 -43.301 -66.436 1.00 56.20 MOLl O

ATOM 1317 W SER A 172 54.542 -42.567 -64.340 2.00 52.36 MOLl N

ATOM 1318 CA SERA 171 54.718 -43.905 -83.795 1.00 54.88 MOLl C ATOM 1319 CB SER A 171 53.345 -44.582 -63.897 1.00 48,11 MOLl C ATOM 1320 OG SER A 171 52.491 -43.858 -62.823 1.00 43.01 MOLl O ATOM 1321 C SER A 171 55.730 -44.Θ28 -64.510 1.00 55.50 MOLl C ATOM 1322 O SERA 171 55.613 -48.054 -84.443 1.00 51.45 MOL1 O ATOM 1323 N THR A 172 56.728 -44.230 -65.163 1.00 55.OS MOLl N ATOM 1324 CA THR A 172 57.7B4 -44.968 -65.872 1.00 55.45 MOLl C ATOM 1325 CB THR A 172 58.251 -44.191 -67.076 1.00 55.67 MOL1 C ATOM 1328 OG1 THR A 172 58.701 -42.897 -66.648 1.00 59.48 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 NOLI C ATOM 1329 0 THR A 172 58.996 -44.796 -63.817 1.00 83.90 MODI O ATOM 1330 H TYR A 173 60.085 -45.727 -65.526 1.00 52.58 MOL1 N ATOM 1331 CA TYR A 173 61.307 -45.895 -64.750 1.00 50.28 MOLl C ATOM 1332 CB TYR A 173 61.607 -47.367 -64.509 1.00 43.79 MOLl C ATOM 1333 CG TYR A 173 60.621 -43.061 -63.605 1.00 43.50 MOLl C ATOM 1334 CD1 TYR A 173 59.493 -48.681 -64.113 1.00 44.80 MOLl C ATOM 1335 CE1 TYR A 173 58.604 -49.346 -63.278 1.00 45.59 MOLl C ATOM 1338 CD2 TYR A 173 60.331 -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 MOLl C ATOM 1338 CZ TYR A 173 58.842 -49.384 -61.923 1.00 44,25 MOLl C ATOM 1339 OH TYR A 173 57.97B -50.036 -61.082 1.00 51.59 MOW O ATOM 1340 C TYR A 173 62.475 -45.251 -65.486 1.00 55.17 MOil C ATOM 1341 O TYR A 173 62.322 -44.788 -66.618 1.00 62.28 MOL1 O ATOM 1342 N SERA 174 63.636 -45.210 -64.841 1.00 53.72 MOLl N ATOM 1343 CA SERA 174 64.832 -44.632 -65.449 1.00 51.71 MOLl C ATOM 1344 CB SERA 174 64.833 -43.108 -65.304 1.00 50.48 MOil C ATOM 1345 OG SERA 174 63.860 -42.498 -66.147 1.00 44.82 MOil O ATOM 1346 C SER A 174 66.065 -45.223 -64.793 1.00 52.24 MOLl C ATOM 1347 O SERA 174 66.041 -45.570 -63.617 1.00 58.50 MOLl O ATOM 1348 N MET A 175 67.143 -45.338 -65.553 1.00 49.18 MOLl N ATOM 1349 CA MET A 175 68.363 -45.922 -65.031 1.00 47.47 MOLl C ATOM 1350 CB META 175 68.417 -47.380 -65.443 1.00 40,24 MOLl C ATOM 1351 CG MET A 175 69.757 -4B.007 -65.277 1.00 42.37 MOLl C ATOM 1352 SD META 175 69.821 -49.506 -66.218 1.00 45,65 MOLl S ATOM 1353 CE MET A 175 70.994 -50.394 -65.304 1.00 40.57 MOLl C ATOM 1354 C MET A 175 69.605 -45.206 -65.533 1.00 50.44 MOLl C ATOM 1355 0 META 175 69.617 -44.676 -66.647 1.00 55.74 MOLl O ATOM 1356 ST SER A 176 70.655 -45.210 -64.71B 1.00 46.12 MOLl N ATOM 1357 CA SER A 176 71.892 -44.558 -65.091 1.00 41.27 MOLl C ATOM 1358 CB SER A 176 72.061 -43.303 -64.266 1.00 29.85 MOLl C ATOM 1359 OG SER A 176 73.372 -42.821 -64.386 1.00 43.09 MOLl O ATOM 136 0 C SER A 176 73.106 -45.456 -64.923 1.00 45.18 MQH C ATOM 1361 O SER A 176 73.592 -45.658 -63.812 1.00 54.11 MOLl O ATOM 1362 ΚΓ SERA 177 73.598 -45.985 -66.041 1.00 46,03 MOLl N ATOM 1363 CA SER A 177 74.766 -46.B59 -66.051 1.00 44.00 MOLl C ATOM 1364 CB SERA 177 74.588 -47.925 -67.127 1.00 35.81 MOLl C ATOM 1365 OG SERA 177 75.571 -48.936 -66.998 1.00 38.60 MOLl O ATOM 1366 C SERA 177 76.042 -46.049 -66.314 1.00 43.36 MOLl C ATOM 1367 O SER A 177 76.122 -45.294 -67.273 1.00 37.64 MOLl O ATOM 1368 N THR A 178 77.040 -46.225 -65.458 1.00 49.84 MOLl N ATOM 1369 CA THR A 178 78.297 -45.497 -65.574 1.00 52.81 MOLl C ATOM 1370 CB THR A 178 78.464 -44.563 -64.380 1.00 52.72 MOLl C ATOM 1371 OG1 THR A 178 77.268 -43.784 -64.208 1.00 53.19 MOLl O ATOM 1372 CG2 THR A 178 79.661 -43.672 -64.585 1.00 49.15 MOLl C ATOM 1373 C THR A 178 79.525 -46.419 -65.642 1.00 53,03 MOLl C ATOM 1374 O THR A 17B 79.827 -47.156 -64.706 1.00 50.94 MOLl O ATOM 1375 K LEU A 179 80.235 -46.368 -56.758 1.00 52.76 MOLl N ATOM 1376 CA LEU A 179 81.420 -47.185 -66.946 1.00 49.79 MOLl O ATOM 1377 CB LEU A 179 81.573 -47.529 -68.423 1.00 36.69 MOLl C ATOM 1378 CG LEU A 179 82.180 -48.863 -68.827 1.00 28.63 MOLl C ATOM 1379 CD1 LEU A 179 82.723 -48.732 -70.234 1.00 9.54 MOLl C ATOM 1380 CD2 LEU A 179 83.255 -49.267 -67.853 1.00 12.92 MOLl C ATOM 1381 C LEU A 179 82.613 -46,359 -66.500 1.00 55.80 MOLl C

ATOM 1382 O LEU A 179 82.973 -45 .379 -67.155 1.00 60.37 MOLl O ATOM 1383 N THR A 180 83.220 -46.732 -65.380 1.00 59.90 MOLl N ATOM 1384 CA THR A 180 84.376 -45.994 -64.909 1.00 61.75 MOLl C ATOM 1385 CB THR A 180 84.280 -45.653 -63.441 1.00 63.39 MOLl C ATOM 1386 OG1 THR A 180 83.254 -44.670 -63.262 1.00 70.29 MOLl O ATOM 1387 CG2 THR A 180 85.597 -45.084 -62.955 1.00 62.81 MOLl C ATOM 1388 C THR A 180 85.658 -46.751 -65.173 1.00 62.47 MOLl C ATOM 1389 0 THR A 180 85.851 -47.886 -64.737 1.00 54.28 MOIil 0 ATOM 1390 N LEU A 181 86.526 -46.084 -65.920 1.00 65.09 MOLl H ATOM 1391 CA LEU A 181 87.802 -46.615 -66.331 1.00 62.68 MOIil C ATOM 1392 CB LEU A 181 87.846 -46.659 -67.856 1.00 47.31 MOLl C ATOM 1393 CG LEU A 181 86.804 -47.394 -68.708 1.00 38.89 MOLl C ATOM 1394 CD1 LEU A 181 86.8E5 -46.908 -70.141 1.00 32.49 MOLl C ATOM 1395 CD2 LEU A 181 87.068 -48.878 -68.681 1.00 40.25 MOLl C ATOM 1396 C LEU A 181 88.907 -45.689 -65.840 1.00 71.52 MOLl C ATOM 1397 O LEU A 181 88.650 -44.647 -65.235 1.00 78.58 MOLl O ATOM 1398 N THR A 182 90.142 -46.078 -66.124 1.00 74.68 MOLl N ATOM 1399 CA THR A 182 91.306 -45.298 -65.758 1.00 74.62 MOLl C ATOM 1400 CB THR A 182 92.413 -46.237 -65.283 1.00 62.12 MOLl C ATOM 1401 OG1 THR A 182 93.526 -45.466 -64.827 1.00 74.80 MOLl 0 ATOM 1402 CG2 THR A 182 92.B34 -47.157 -66.395 1.00 52.68 MOLl C ATOM 1403 C THR A 182 91,718 -44.554 -67.032 1.00 77.25 MOLl C ATOM 1404 O THR A 182 91.715 -45.133 -68.108 1.00 74.29 MOLl O ATOM 1405 N LYS A 183 92.060 -43.274 -66.924 1.00 83.74 MOLl M ATOM 1406 CA LYS A 183 92.420 -42.525 -68.121 1.00 85.05 MOLl C ATOM 1407 CB LYS A 183 93.107 -41.200 -67.783 1.00 84.93 MOLl C ATOM 1408 CG LYS A 183 93.493 -40.395 -69.028 1.00 89.07 MOLl C ATOM 1409 CD LYS A 183 94.113 -39.041 -68.690 1.00 95.34 MOLl C ATOM 1410 CE LYS A 183 94.971 -38.505 -69.852 1.00102.58 MOLl C ATOM 1411 NZ LYS A 183 94.225 -3B.217 -71.122 1.00101.02 MOLl N ATOM 1412 C LYS A 183 93.299 -43.336 -69.054 1.00 86.65 MOLl C ATOM 1413 0 LYS A 183 93.243 -43.151 -70.264 1.00 89.84 MOLl O ATOM 1414 N ASP A 184 94.097 -44.244 -68.498 1.00 B4.63 MOLl N ATOM 1415 CA ASP A 184 94.968 -45.074 -69.320 1.00 78.83 MOLl C ATOM 1416 CB ASP A 184 95 . B91 -45.922 -68.454 1.00 76.43 MOLl C ATOM 1417 CG ASP A 184 97.093 -45.160 -67.978 1.00 74.31 MOLl C ATOM 1418 OD1 ASP A 184 97.602 -44.319 -68.747 1.00 72.34 MOLl O ATOM 1419 OD2 ASP A 184 97.537 -45.412 -66.845 1.00 77.64 MOLl O ATOM 1420 C ASP A 184 94.164 -45.9B6 -70.222 1.00 74.98 MOLl C ATOM 1421 0 ASP A 184 94.232 -45.882 -71.442 1.00 74.18 MOLl 0 ATOM 1422 N GLU A 185 93.410 -46.8BS -69.602 1.00 72.44 MOLl N ATOM 1423 CA GLU A 185 92.573 -47.843 -70.315 1.00 56.34 MOLl C ATOM 1424 CB GLU A 185 91.754 -48.663 -69.314 1.00 63.30 MOLl C ATOM 1425 CG GLU A 185 90.586 -49.427 -69.921 1.00 67.55 MOLl C ATOM 1426 CD GLU A 185 90.754 -50.947 -69.877 1.00 72.80 MOLl C ATOM 1427 OE1 GLU A 185 91.181 -51.544 -70.902 1.00 65.76 MOLl O ATOM 1428 OE2 GLU A 185 90.456 -51.536 -68.810 1.00 70.09 MOLl O ATOM 142S C GLU A 185 91.632 -47.153 -71.280 1.00 60.58 MOLl C ATOM 1430 O GLU A 185 91.301 -47.688 -72.326 1.00 59.86 MOLl O ATOM 1431 N TYR A 186 91.198 -45.956 -70.929 1.00 57.50 MOLl N ATOM 1432 CA TYR A 186 90.287 -45.246 -71.790 1.00 53.11 MOLl C ATOM 1433 CB TYR A 1B6 89.787 -43.998 -71.107 1.00 44.58 MOLl C ATOM 1434 CG TYR A 186 88.920 -43.169 -72.007 1.00 37.74 MOLl C ATOM 1435 CD1 TYR A 186 89.158 -41.819 -72.167 1.00 31.73 MOLl C ATOM 1436 CE1 TYR A 186 88.379 -41.062 -72.985 1.00 36.38 MOLl C ATOM 1437 CD2 TYR A 186 87.870 -43.734 -72.696 1.00 31.82 MOLl C ATOM 1438 CE2 TYR A 186 87.080 -42.980 -73.522 1.00 32.78 MOLl C ATOM 1439 CZ TYR A 186 87.336 -41.641 -73.664 1.00 35.16 MOLl C ATOM 1440 OH TYR A 186 86.546 -40.851 -74.466 1.00 32.28 MOLl 0 ATOM 1441 C TYR A 186 90,941 -44.873 -73.098 1.00 58.07 MOLl C ATOM 1442 O TYR A 186 90.287 -44.840 -74.137 1.00 58.04 MOLl O ATOM 1443 H GLU A 187 92.239 -44.592 -73.044 1.00 64.32 MOLl N ATOM 1444 CA GLU A 187 92.986 -44.205 -74.235 1.00 63.73 MODI C ATOM 1445 CB GLU A 187 94.223 - 43.415 - 73.828 1.00- 57.01 MOLl 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 MOLl O

ATOM 1450 C GLU A 187 93.372 -45.394 -75.117 1.00 64.63 MOLl 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 MOLl 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 MOLl C

ATOM 1456 CD ARG A 188 95.079 -49.991 -72.096 1.00 51.90 MODI C

ATOM 1457 HE ARG A 1B8 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 HH1 ARG A 188 94.856 -52.484 -70.787 1.00 82.98 MOLl N

ATOM 1460 NH2 ARG A 188 94.739 -53.612 -72.800 1.00 68.90 MOL1 N

ATOM 1461 C ARG A 18B 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 H HIS A 189 91.712 -47.673 -75.112 1.00 56.80 MOL1 N

ATOM 1464 CA HIE 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 -75.337 1.00 30.28 MOLl C

ATOM 146 & 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 MOLl 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 MODI O

ATOM 1473 N ASM A 190 89.164 -47.10B -78.733 1.00 63.31 MOL1 H

ATOM 1474 CA ASN A 190 88.4B2 -46.036 -79.459 1.00 71.60 MOL1 C

ATOM 1475 CB ASK 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 1.00102.56 MOLl C

ATOM 1477 OD1 ASN A 190 91.244 -46.527 -80.511 1.00107.31 MOLl O

ATOM 1476 ND2 ASN A 190 90.207 -47.779 -82.082 1.00104.96 MOLl N

ATOM 1479 C ASN A 190 86.964 -46.031 -79.416 1.00 67.58 MOLl C

ATOM 1480 O ASN A 190 86.351 -44.999 -79.160 1.00 72.39 MOLl O

ATOM 1481 N SER A 191 86.352 -47.173 -79.685 1.00 59.40 MOLl N

ATOM 1482 CA SER A 191 84.902 -47.248 -79.695 1.00 56.91 MOLl C

ATOM 1483 CB SER A 191 84,457 -48.247 -80.739 1.00 57.49 MOLl C

ATOM 1484 OG SER A 191 83.319 -48.946 -80.269 1.00 69.90 MOLl O

ATOM 1405 C SER A 191 84.239 -47.610 -78.375 1.00 54.40 MOLl C

ATOM 1486 O SERA 191 84.642 -48.554 -77.716 1.00 58.76 MOLl O

ATOM 1487 N TYR A 192 83.203 -46.863 -78.003 1.00 51.54 MOLl N

ATOM 1488 CA TYR A 192 82.451 -47.120 -76.773 1.00 43.81 MOLl C

ATOM 1489 CB TYR A 192 82.693 -46.050 -75.749 1.00 31.45 MOLl C

ATOM 1490 CG TYR A 192 84.071 -46.101 -75.234 1.00 33.88 MOLl C

ATOM 1491 CD1 TYR A 192 85.092 -45.470 -75.896 1.00 27.09 MOLl C

ATOM 1492 CE1 TYR A 192 86.359 -45.561 -75.446 1.00 30.45 MOLl C

ATOM 1493 CD2 TYR A 192 84.365 -46.826 -74.105 1.00 35.96 MOLl C

ATOM 1494 CE2 TYR A 192 85.638 -46.925 -73.650 1.00 36.01 MOLl C

ATOM 1495 CZ TYR A 192 86.626 -46.291 -74.322 1.00 31.98 MOLl C

ATOM 1496 OH TYR A 192 87.900 -46.375 -73.855 1.00 47.59 MOLl O

ATOM 1497 C TYR A 192 80.974 -47.178 -76.994 1.00 40.63 MOLl C

ATOM 1498 O TYR A 192 80.384 -46.205 -77.423 1.00 52.47 MOLl O

ATOM 1499 N THR A 193 80.357 -48.308 -76.706 1.00 37.69 MOLl N

ATOM 1500 CA THR A 193 78.928 -48.374 -76.892 1.00 38.83 MOLl C

ATOM 1501 CB THR A 193 78.503 -49.230 -78.093 1.00 37.54 MOLl C

ATOM 1502 OG1 THR A 193 78.013 -50.486 -77,614 1.00 45.73 MOLl O

ATOM 1503 CG2 THR A 193 79.662 -49.433 -79.084 1.00 33.88 MOLl C

ATOM 1504 C THR A 193 78.199 -4B.868 -75.663 1,00 41.18 MOLl C

ATOM 1505 0 THR A 193 78.737 -49.561 -74.816 1.00 38.28 MOLl O

ATOM 1506 N CYS A 194 76.941 -48.476 -75.598 1,00 47.42 MOLl N

ATOM 1507 CA CYS A 194 76.047 -48.774 -74.502 1.00 47.15 MOLl C

ATOM 1508 C CYS A 194 74.831 -49.431 -75.134 1,00 47.65 MOLl C

ATOM 1509 Ο CYS A 194 74.062 - 48.774 - 75.803 1. OC 54.03 MOLl O

ATOM 1510 CB CYS A 194 75.684 -47.442 -73.B58 1.00 39.6B MOL1 C ATOM 1511 SG CYS A 194 74.348 -47.500 -72.653 1.00 51.74 MOL1 S ATOM 1512 N SKI A 195 74.671 -50.731 -74.942 1.00 4E.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 OBI GLU A 195 74.373 -55.150 -77.505 1.00 6Θ.48 MOL1 O ATOM 1518 0E2 GLU A 195 75.960 -54.249 -78.784 1.00 70,03 MOL1 O ATOM 1519 C GLU A 195 72.477 -51.790 -74.549 1.00 49.53 MOLl C ATOM 1520 O GLU A 195 72.6S2 -52.576 -73.630 1.00 54.30 MOLl O ATOM 1521 H 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 MODI C ATOM 1523 CB ALA A 196 69 .4B4 -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.B55 1.00 46.25 MOL1 N ATOM 1527 CA TER A 197 67.967 -54.546 -74.312 1.00 48.46 MOL1 C ATOM 152B 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 53.4B 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 MOXil 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 -SI.440 -72.493 1,00 49.15 MOL1 C ATOM 1538 HD1 HIS A 198 62.600 -53.040 -71.201 1.00 54.01 MOL1 N ATOM 1539 CR1 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 MODI 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 -73.685 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 35.676 -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 -56.04Θ -75.64B 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 MODI 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 MODI C ATOM 1561 CB SERA 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 MOL.1 C ATOM 1564 O SERA 201 63.387 -56.203 -77.890 1.00 61.71 MODI 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 MOL.1 C ATOM 1567 CB THR A 202 63.183 -58.385 -B1.491 1.00 45.01 MOL1 C ATOM 1568 031 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 MODI C ATOM 1571 O THR A 202 66.090 -58.049 -80.582 1.00 64.29 MOL.1 O ATOM 1572 N SERA 203 65.359 -55.967 -81.009 1.00 55.87 MOL1 N ATOM 1573 CA SERA 203 66.659 -55.469 -81.390 1.00 55.42 MOL·! C

ATOM 1574 CB SERA 203 66.579 -54.852 -82.792 1.00 64.96 MOL1 C ATOM 1575 OG SERA 203 65.456 -55.354 -83.505 1.00 68.31 MOL1 O ATOM 1576 C SER A 203 67.032 -54.401 -80.405 1.00 51.49 MOL1 C ATOM 1577 O SERA 203 66.366 -53.378 -80.324 1,00 56.39 MOL1 O ATOM 1578 N PROA 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 -78.285 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 15S7 CB ILE A 205 68.136 -48.913 -77.778 1.00 28.59 MOL1 C ATOM 1588 CG2 IIiB A 205 68.284 -47.508 -78.298 1.00 13.39 MOL1 C ATOM 15B9 CGI ILEA 205 66.658 -49.256 -77.B49 1.00 31.89 MOL1 C ATOM 1590 CD1 ILEA 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 CGI 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 51.62 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 -4Ξ.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 -77.921 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 ΚΓΖ 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 16OB O LYS A 207 76.181 -46.435 -77.409 1.00 66.08 MOL1 O ATOM 1609 N SERA 20β 76.559 -45.064 -79.144 1.00 64.15 MOL1 N ATOM 1610 CA SERA 208 77.996 -45.070 -78.937 1.00 63.92 MOL1 C ATOM 1611 CB SERA 208 78.621 -46.249 -79.658 1.00 62.29 MOL1 C ATOM 1612 OG SERA 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 SERA 208 78.001 -42.892 -79.908 1.00 72.59 MOL1 O ATOM 1615 Η PHE A 209 79.978 -43.762 -79.272 1.00 56.19 MOL1 N ATOM 1616 CA PHE A 209 80.750 -42.605 -79.676 1.00 71.93 MOL1C ATOM 1617 CB PHE A 209 80.563 -41.508 -78.655 1.00 68,73 MOL1 C ATOM 16IB 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 54,44 MOL1 C ATOM 1621 CE1 PHE A 209 83.411 -41.245 -76.220 1.00 63,44 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 71.7B 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 ASM A 210 82.970 -42.364 -80.639 1.00 80.19 MOL1 N ATOM 1627 CA ASN A 210 84.397 -42.537 -80.739 1.00 83.35 MOL1 C ATOM 1628 CB ASHA 210 84.7B7 -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 ASHA 210 84.357 -44.680 -83.759 1.00 75.22 MOL1 O ATOM 1631 MD2 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 -B0.299 1.00 92.82 MOL1 C ATOM 1633 0 ASN A 210 84.599 -40.327 -80.169 1.00 99.32 MOLIO 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 1.00107.02 MOL1 C ATOM 1636 CB ARG A 211 88.451 -40.903 -78.791 1.00 93.10 MOL1C ATOM 1637 CG ARG A 211 88.073 -41.235 -77.356 1.00 79.51 MCrLl C

ATOM 1638 CD ARG A 211 89.235 -41.722 -76.571 1.00 73.73 MOLl C ATOM 1633 NE ARG A 211 90.006 -42.738 -77.341 1.00 71.41 MOL1 N ATOM 1640 ca ARG A 211 31.270 -42.640 -77.738 1.00 70.17 MOLl C ATOM 1641 NH1 ARG A 211 81.382 -41.569 -77.420 1.00 71.92 MODI N ATOM 1642 NH2 ARG A 211 91.805 -43.587 -78.506 1.00 68.06 MOLl N ATOM 1643 C ARG A 211 87.804 -39.593 -80.827 1.00121.27 MOLl C ATOM 1644 O ARG A 211 88.444 -40.099 -81.766 1.00119.32 MOL1 O ATOM 1645 N ASN A 212 87.487 -38.298 -80.752 1.00135.01 MOL1 N ATOM 1646 CA ASH A 212 87.890 -37.305 -81.745 1.00145.02 MOL1 C ATOM 1647 CB ASN A 212 86.663 -36.718 -82.458 1.00137.80 MOL1 C ATOM 1648 CG ASH A 212 85.950 -37.738 -83.333 1.00132.35 MOL1 C ATOM 1649 OD1 ASH A 212 86.566 -38.393 -84.177 1,00126.73 MOL1 O ATOM 1650 ND2 ASN A 212 34.643 -37.370 -83.140 1.00128.12 MOL1 N ATOM 1651 C ASN A 212 88.694 -36.198 -81.045 1.00154.72 MODI C ATOM 1652 O ASN A 212 89.535 -35.545 -81.668 1.00157.30 MOLl O ATOM 1653 N GLU A 213 88.428 -36.001 -79.750 1.00162.53 MODI N ATOM 1654 CA GLU A 213 39.138 -35.014 -78.920 1,00168.79 MODI C ATOM 1655 CB GLU A 213 90.625 -35.395 -78.813 1.00169.60 MOL1C ATOM 1656 CG GLU A 213 90.907 -36.740 -78.141 1.00170.51 MOLl C ATOM 1657 CD GLU A 213 92.383 -37.131 -78.192 1.00169.55 MOLl C ATOM 1658 OE1 GLU A 213 92.749 -38.162 -77.5B8 1.00168.02 MOLIO ATOM 1659 0E2 GLU A 213 93.175 -36.411 -78.838 1.00169-37 MOLl. O ATOM 1660 C GLU A 213 89.049 -33-548 -79.357 1.00172.64 MOLl C ATOM 1661 0 GLU A 213 89.783 -33.115 -80.248 1.00173.63 MOLIO ATOM 1662 N CYS A 214 88.171 -32.784 -78.709 1.00176.10 MOLl N ATOM 1663 CA CYS A 214 87.997 -31.359 -79.010 1.00179.13 MOLl C ATOM 1664 CB CYS A 214 87,418 -31.162 -80.423 1.00179.49 MOLl C ATOM 1665 SG CYS A 214 88.420 -30.127 -81.553 1,00180.10 MOLl S ATOM 1666 C CYS A 214 87.067 -30.7D2 -77.984 1.00180.20 MOLl C ATOM 1667 0 CYS A 214 86.648 -31.400 -77.034 1.00181.04 MOLl O ATOM 1668 OXT CYS A 214 86.764 -29.497 -78.143 1.00180.10 MOLl O ATOM 1669 CB GLU B 1 46.708 -39.422 -29.729 1.00 92.80 MOLl C ATOM 1670 CG GLU B 1 45.511 -38.548 -30.169 1.00106.71 MOLl C ATOM 1671 CD GLU B 1 45.054 -37.536 -29.111 1.00113.96 MOLl C ATOM 1672 OE1 GLU B 1 44.367 -36.557 -29.4B7 1.00113.19 MOLl O ATOM 1673 OE2 GLU B 1 45.363 -37.722 -27.908 1.00118.07 MOLl O ATOM 1674 C GLU B 1 49.136 -39.618 -29.188 1.00 76.62 MOLl C ATOM 1675 O GLUB 1 49.286 -39.476 -27.979 1.00 79.69 MOLl O ATOM 1676 N GLU B 1 48.419 -38.707 -31.390 1.00 83.29 MOLl N ATOM 1677 CA GLU B 1 48.098 -38.794 -29.937 1.00 B1.61 MOLl C ATOM 1678 N VAL B 2 49.865 -40.468 -29.900 1.00 68.35 MOLl N ATOM 1679 CA VAL B 2 50.857 -41.313 -29.248 1.00 63.27 MOLl C ATOM 1680 CB VAL B 2 50.550 -42,780 -29.493 1.00 59.59 MOLl C ATOM 1681 CGI VAL B 2 51.267 -43.634 -28,481 1.00 51.24 MOLl C ATOM 1682 CG2 VAL B 2 49.052 -42.995 -29.492 1.00 63.72 MOLl C ATOM 1683 C VAL B 2 52,262 -41.077 -29.757 1,00 67.70 MOLl C ATOM 1684 O VALB 2 52.880 -41.996 -30,286 1,00 77.73 MOLl O ATOM 1685 N GLN B 3 52.781 -39.870 -29.584 1.00 66.29 MOLl N ATOM 1686 CA GLN B 3 54.125 -39.534 -30.060 1.00 62.99 MOLl C ATOM 1687 CB GLN B 3 54.452 -38.077 -29.719 1.00 73.78 MOLl C ATOM 1688 CG GLN B 3 53.589 -37.034 -30.427 1.00 91.77 MOLl C ATOM 1689 CD GLN B 3 53.525 -37.241 -31.934 1,00101.46 MOLl C ATOM 1690 OE1 GLN B 3 52.813 -38.126 -32.421 1.00106.00 MOLl O ATOM 1691 NE2 GLN B 3 54.281 -36.429 -32.682 1.00105.77 MOLl N ATOM 1692 C GLN B 3 55.300 -40.401 -29,583 1.00 55.69 MOLl C ATOM 1693 O GLN B 3 55.367 -40.827 -2B.43B 1.00 46.69 MOLl O ATOM 1694 N LEU B 4 56.226 -40.651 -30.500 1.00 54.86 MOLl N ATOM 1695 CA LEU B 4 57.460 -41.395 -30.236 1.00 51.40 MOLl C ATOM 1696 CB LEU B 4 57,385 -42.836 -30.704 1.00 50.04 MOLl C ATOM 1697 CG LEU B 4 56.609 -43.772 -29.813 1.00 53.16 MOLl C ATOM 1698 CD1 LEU B 4 56.653 -45.200 -30.362 1.00 54.68 MOLl C ATOM 1699 CD2 LEU B 4 57.235 -43.682 -28.448 1.00 57.66 MOLl C ATOM 1700 C LEU B 4 58.491 -40.688 -31.090 1.00 52.50 MOLl C ATOM 1701 O LEU B 4 58.257 -40.482· -32.290 1.00 55.22 MOLl O

ATOM 17D2 N VAL B 5 59.603 -40.279 -30.491 1.00 51.49 KGL1 N

ATOM 1703 CA VAL B 5 ¢0.636 -39.598 -31.267 1.00 43.73 MDLl C

ATOM 1704 C3 VAX) B 5 60.564 -33.054 -31.130 1.00 33.29 MOL1 C

ATOM 1705 CGI VAL B 5 59.153 -37.620 -30.886 1.00 20.66 MOL1 C

ATOM 1706 CG2 VAL B S 61.470 -37.580 -30.024 1.00 46.70 MOLl C

ATOM 1707 C VAL B 5 62.033 -40.067 -30.891 1.00 51,85 MDLl C

ATOM 1703 O VAL B 5 62.441 -40.G45 -29.724 1.00 53.70 MOL1 O

ATOM 1709 M GLU B 6 62.759 -40.517 -31.904 1.00 54.55 ROLL N

ATOM 1710 CA GLU B € 64.109 -41.004 -31.698 1.00 59.63 MOL1 C

ATOM 1711 CB GLU B € 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 WOL1 C

ATOM 1713 CD GLXJ B 6 62,481 -43.540 -33.538 1.00 68.99 MQL1 C

ATOM 1714 OE1 GUI 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 «QLI O

ATOM 1716 C GLU B 6 65.102 -39.877 -31.926 1.00 62.51 MG LI C

atom 1717 O GLU B 6 64,779 -38.840 -32.519 1.00 62.23 BOLl O

ATOM 1718 N SER B 7 66.317 -40.092 -31.444 1.00 65.47 MOL1 M

ATOM 1719 CA SER B 7 67.363 -39.105 -31.564 1.00 67.74 MOL1 C

ATOM 1720 CB SEE B 7 67.110 -37.975 -30.580 1.00 71,57 MQLl C

ATOM 1721 OG SER B 7 68.305 -37.256 -30.342 1.00 85.77 MGL1 Q

ATOM 1722 C SER B 7 68.714 -39.718 -31.272 1.00 69.29 MO LI C

ATOM 1723 O SER B 7 68.814 -40.789 -30.668 1.00 66.88 MOL1 O

ATOM 1724 N GUY B 8 69.757 -39.021 -31.700 1-00 73.83 MDLl N

ATOM 1725 CA GLY B B 71.101 -39.503 -31.462 1.00 79.51 MOL1 C

** ATOM 1726 C GLY B B 71.689 -40.148 -32,690 1.00 01.37 MDLl C

ATOM 1727 O GLY B 8 72.599 -40,967 -32.594 1,00 80.82 MOL1 G

ATOM 1728 N GLY B 9 71.167 -39.775 -33.351 1.00 04.19 MDLl N

ATOM 1729 CA GLY B 9 71.665 -40.342 -35.087 1.00 85.32 MDLl C

ATOM 1730 C GLY B 9 72.935 -39.674 -35.563 1.00 84.49 MDLl 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 83.01 MOL1 H

ATOM 1733 CA GLY B 10 74.897 -39.823 -36.982 1.00 91.06 MDLl C

ATOM 1734 C GLY B 10 75.817 -40,917 -37.498 1.00 90. SO 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 MDLl H

ATOM 1737 CA LEU B 11 77.980 -41.515 -38.445 1.00 84.85 MDLl C

ATOM 173B CB LEU B 11 78.654 -41.035 -39.732 1.00 83.78 MGL1 C

ATOM 1739 CG LEU B 11 79.532 -39.793 -39.S39 1,00 92.04 MDLl C

ATOM 1740 GDI LEU B 11 SO.000 -39.404 -41.Q38 1.00 89.62 MOL1 C

ATOM 1741 CD2 LEU & 11 78.752 -38.648 -38.983 1.00 98.71 MDLl C

ATOM 1742 C LBU B 11 79.026 -41.762 -37.307 1.00 80-95 MDLl C

ATQM 1743 O L3U B 11 73.219 -40.940 -36.493 1,00 80.32 MDLl G

ATOM 1744 N VAL B 12 79.706 -42.894 -37.405 1.00 77.34 MDLl M

ATOM 1745 CA VAL B 12 80.713 -43.226 -36.499 1.00 79.50 MDLl C

ATOM 1746 CB VAL B 12 30.055 -43.626 -35.169 1.00 78.17 MOL1 C

ATOM 1747 CGI VAL B 12 79.010 -44.677 -35.412 1.00 76.02 MDLl C

ATOM 1748 CG2 VAL B 12 81.099 -44.151 -34.203 1.00 82.85 MQLl C

ATOM 1749 C VAL B 12 81.602 -44.362 -36,964 1.00 81.58 MQLl C

ATOM 1750 O VAL B 12 81.129 -45.441 -37.276 1.G0 85.47 MDLl O

ATOM 1751 N GLN B 13 32.902 -44.103 -37.004 1.00 87,73 MDLl 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 85.29S -44.S64 -37.106 1.00 93.25 MQLl C

ATOM 1754 CG GLN B 13 85.612 -44.330 -35.600 1.00105.01 MDLl C

ATOM 1755 CD GLN B 13 84,752 -43.241 -34.923 1.00108.62 MQL1 C

ATOM 1756 OE1 GLN 3 13 84.530 -42.161 -35.487 1.00110,17 MDLl O ATOM 1757 NE2 GLN B 13 84.289 -43.521 -33.59S 1,00100.71 MDLl ij

ATOM 1758 C GLN B 13 83.650 -46.441 -36.757 1.00 81,85 MDLl C

ATQM 1759 O GLN B 13 83.176 -46.S22 -35.544 1.00 83.04 MDLl G

ATOM 1760 N FRO B 14 83.955 -47.527 -37,473 1.00 78.83 MQLl N

ATOM 1761 CD PSD B 14 84.450 -47.575 -38,857 1.Q0 80.79 MDLl C

ATOM 1762 CA PRO B 14 83,772 -4B.072 -36.929 1.00 81.36 MDLl C

ATQM 1763 CB PRO 8 14 84.589 -49.731 -37.878 1.00 80,68 MDLl C

ATOM 1764 CG PRO B 14 84.344 -49.058 -33.191 1.00 84.61 RKDL1 C

ATOM 1765 e PRO B 14 84.300 -48.942· -35.511 l.OTJ 84.32 MDLl G

ATOM 1766 O PRO B 14 85.114 -48.116 -35.112 1.00 85.63 MOL1 0 ATOM 1767 N GLY B 15 83.842 -49.927 -34.750 1.00 89.73 MOLl 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 -49.00B -32.448 1.00 93.53 MODI C ATOM 1770 O GAY B 15 83-483 -49,287 -31.279 1.00 96.75 MOLl 0 ATOM 1771 N GAY 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 M0L1 0 ATOM 1775 N SER B 17 Θ1.174 -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 SERB 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 SERB 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 MOLl 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 1736 CD2 LEU B 18 75.517 -41.904 -30.788 1.00 85.69 MOLl C ATOM 1787 C LEU B 18 75.449 -44.875 -29,051 1,00 00.39 MOL1 C ATOM 1788 O LEU B 18 75.233 -46.064 -28.795 1.00 77.79 MOL1 O ATOM 1789 N MG 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 -43.5 90 - 25 . 2 3 7 1.0 0 8 2.86 140L1 C ATOM 1793 CD ARG B 19 72,952 -42.531 -24,160 1.00 87.91 MOLl C ATOM 1794 NE ARG B 19 72.042 -42.612 -23.015 1.00 91.00 MOLl H ATOM 1795 CZ ARG B 19 71.945 -43.653 -22.189 1.00 94.13 MOLl C ATOM 17 96 fill ARG B 19 72.693 -44.741 -22.376 1.00 84.23 MOLl H ATOM 1797 NH2 ARG B 19 71.128 -43.583 -21.140 1.00 93.49 MOLl N ATOM 1798 C ARG B 19 72.382 -43.379 -28.224 1.00 79.41 MOLl C ATOM 1799 O ARG B 19 72.371 -42.153 -28.396 1.00 79.85 MOLl O ATOM 1800 N LEU B 20 71.354 -44.168 -28.525 1.00 75.09 MOLl N ATOM 1801 CA LEU B 20 70.123 -43.640 -29.083 1.00 66.85 MOLl C ATOM 1802 CB LEU B 20 69.645 -44.530 -30.219 1.00 65.49 MOLl C ATOM 1803 CG LEU B 20 70.528 -44.532 -31.456 1.00 62.82 MOLl C ATOM 1804 GDI LEU B 20 70.296 -45.817 -32.218 1.00 57.88 MOLl C ATOM 1805 CD2 LEU B 20 70.231 -43.293 -32.299 1.00 58.37 MOLl C ATOM 1806 C LEU B 20 69.042 -43.537 -28.035 1.00 67.03 MOLl C ATOM 1807 O LEU B 20 68.948 -44.373 -27.120 1.00 61.60 MOLl O ATOM 1808 N SERB 21 68.220 -42.502 -28.177 1.00 66.77 MOLl N ATOM 1809 CA SER B 21 67.125 -42.249 -27.246 1.00 66.59 MOLl C ATOM 1810 CB SER B 21 67.440 -41.017 -26.394 1.00 72.40 MOLl C ATOM 1811 OG SER B 21 68.373 -40.165 -27.051 1.00 86.54 MOLl O ATOM 1812 C SER B 21 65.795 -42.063 -27.962 1.00 59.32 MOLl C ATOM 1813 O SER B 21 65.743 -41.647 -29,112 1.00 55.95 MOLl O ATOM 1814 U CYS B 22 64.719 -42.397 -27.269 1.00 59.26 MOLl N ATOM 1815 CA CYS B 22 63.376 -42.272 -27.323 1.00 63.35 MOLl C ATOM 1816 C CYS B 22 62.480 -41.702 -26.749 1.00 58.51 MOLl C ATOM 1817 O CYS B 22 62.360 -42.256 -25.661 1.00 55.11 MOLl O ATOM 1818 CB CYS B 22 62.822 -43.632 -28.267 1.00 70.91 MOLl C ATOM 1819 SG CYS B 22 61.092 -43.638 -28.868 1.00 69.75 MOLl S ATOM 1820 M ALA B 23 61.858 -40.5B1 -27.064 1.00 55.49 MOLl N ATOM 1821 CA ALA B 23 60.983 -39.923 -26.125 1.00 57.79 MOLl C ATOM 1822 CB ALA B 23 61.141 -38.430 -26.256 1.00 54.12 MOLl C ATOM 1823 C ALA B 23 59.559 -40.327 -26.438 1.00 62.28 MOLl C ATOM 1824 O ALA B 23 59.071 -40.043 -27.528 1.00 72.96 MOLl O ATOM 1825 N ALA B 24 58.892 -40.984 -25.491 1.00 59.76 MOLl H ATOM 1826 CA ALA B 24 57.515 -41.429 -25.692 1.00 55.65 MOLl C ATOM 1827 CB ALA B 24 57.333 -42.827 -25.111 1.00 55.99 MOLl C ATOM 1828 C ALA B 24 56,508 -40.474 -25.068 1.00 50.19 MOLl C ATOM 1829 O ALA B 24 56.841 -39.698 -24.178 1.00 52.13 MOLl O ATOM 1830 N SER B 25 55.271 -40.545 -25.529 1.O0 45.27 MOLI &

ATOM 1831 CA SERB 25 54.232 -39.683 -2S.010 1.00 48.S5 MQL1 C

ATOM 1832 CB SER B 25 54.467 -38.251 -25.461 1.00 48.57 MOLI C ATOM 1833 QG SERB 25 53.339 -37.781 -26.179 1.00 54.52 MOLI 0

ATOM 1834 C SER B 25 52.892 -40.244 -25.535 1.00 53.00 MOEI C

ATOM 1835 O SER B 25 52.822 -40.851 -26.536 1.00 61.24 MOLI O ATOM 1836 M GLY B 26 51.822 -39.726 -24.872 1.00 54.62 MOLI »

ATOM 1837 CA GLY B 26 50.494 -40.121 -25.308 1.00 54.72 MOLI C

ATOM 1838 C GLY B 26 50.050 -41.474 -24.772 1.00 45.42 MOLI C

ATOM 1839 O GLY B 26 49.043 -42.030 -25.212 1.00 42.66 MOLI O

ATOM 1840 N PHI B 27 50,803 -42.018 -23.833 1.00 36.73 MOLI H

ATOM 1841 CA PHE B 27 50.425 -43.293 -23.273 1.00 45.67 MOLI C

ATOM 1842 CB PHE B 27 50.534 -44.373 -24.333 1.00 39.88 MOLI C

ATOM 1843 CG PHE B 27 SI.939 -44.750 -24.695 1.00 46.62 MOLI C

ATOM 1844 CD1 PH5 B 27 52.425 -46.022 -24.404 1-00 49.24 MOLI C

ATOM 1845 CE2 ΡΗΞ B 27 52.750 -43.875 -25.353 1.00 49.02 MOLI C

ATOM 1846 CE1 PHE B 27 53.688 -46.417 -24.813 1.00 49.13 MOLI C

ATOM 1847 CE2 PHE B 27 54.016 -44.266 -25.803 1.00 53.94 MOLI C

ATOM 1848 C0 PHE B 27 54.483 -45,542 -25.514 1.0C 52.90 MOLI C

ATOM 1849 C PHE B 27 £1.206 -43.700 -22.027 1.00 52.80 MOLI C

ATOM 1850 O PHE B 27 52.308 -43.208 -21.763 1.00 56.14 MOLI O

ATOM 1851 » THR B 28 50.627 -44.537 -21,244 1,00 54.92 MOLI N

ATOM 1852 CA THR. B 28 51.291 -45.037 -20.032 1.00 59.91 MOLI C

ATOM 1853 CB THR B 28 50.313 -45.847 -19.157 1.00 65.78 MOLI C

fa· ATOM 1854 OG1 THR B 28 49.272 -44.372 -18.697 1,00 66,99 MOLI O

ATOM 18SE CG2 THR B 28 SI.030 -46.477 -17.962 1.00 65.79 MOLI C

ATOM 1856 C THR B 28 52.523 -45.361 -20.388 1.00 57.46 MOLI C

ATOM 1857 O THR B 28 52.479 -47.091 -20,426 1,00 54.80 MOLI O

ATOM 1858 » PHE B 29 53.618 -45,153 -20,654 1.00 57,06 MOLI N

ATOM 1859 CA ?HS B 29 54.895 -45.759 -21.035 1,00 60.02 MOLI C

ATOM I860 CB PHE B 29 55.985 -44.675 -21.068 1,00 55.85 MOLI C

ATOM 1861 CG PHE B 29 S7.351 -45.130 -21.448 1.00 57.00 MOLI C

ATOM 1862 CB1 PHE B 29 57.749 -45.231 -22.772 1.00 55.30 MOLI C

ATOM 1863 CD2 PHE B 29 58.224 -45.676 -20.477 1.00 59.98 MOLI C

ATOM 1864 CE1 PHE B 29 58.988 -45.749 -23.121 1.00 51.36 MOLI C

ATOM 1865 CE2 THE B 29 59.465 -46.197 -20.822 1,00 50,05 MOLI C

ATOM 1866 CZ PHE B 29 59.843 -46.233 -22.145 1.00 50.50 MOLI C

ATOM 1867 C PHE B 29 55.321 -46.885 -20.090 1.00 63.14 MOLI C

ATOM 186 8 O PHE B 29 55.64 7 -48.0 03 -20.518 1.00 57.84 MQL1 O

ATOM 1869 H SER B 30 55.318 -46.569 -18.800 1,00 68.76 MOLI H

ATOM 1870 CA SER B 30 55.712 -47.506 -17.747 1.00 73.60 MOLI C

ATOM 1871 CB SERB 30 55.622 -46.801 -16.378 1.00 80.60 MOLI C

ATOM 1872 OG SERB 30 54.426 -46.032 -16.248 1.00 84.81 MOLI Q

ATOM 1873 C SERB 30 54,877 -48.782 -17,722 1,00 70.64 MOLI C

ATOM 1874 O SERB 30 5S.096 -49.662 -16.898 1.00 69.54 MOLI O

ATOM 1875 N ASP B 31 53.937 -40.881 -18.650 1.00 71.65 MOLI N

ATOM 1876 CA ASP B 31 53.034 -50.013 -18.714 1.00 70.16 MOLI C

ATOM 1877 CB ASP B 31 51.620 -49,500 -IB. 948 1.00 77.49 MOLI C

ATOM 1878 CG ASP B 31 50,622 -50,126 -18.027 1,00 88.93 MOLI C

ATOM 1879 QD1 ASP B 31 50.532 -51.374 -18.020 1.00 95.83 MOLI O

ATOM 1880 OD2 ASP B 31 49.929 -49.367 -17.310 1.00 96.84 MOLI O

ATOM 1881 C ASP B 31 53.346 -51,035 -19.784 1,00 65.89 MOLI C

ATOM 1882 O ASP B 31 53.055 -52.207 -19.615 1.00 67.11 MOLI O

ATOM 1883 N TYR B 32 53.927 -50.599 -20.891 1,00 64.43 MOLI K

ATOM 1884 CA TYR B 32 54.207 -51.522 -21.985 1.00 61.62 MOLI C

ATOM 1885 CB TYR B 32 53.581 -50,399 -23,266 1.00 55.41 MQL1 C

ATOM 1886 CG TYR B 32 52.108 -50.796 -23.165 1.00 51.34 MOLI C

ATOM 1887 CD1 TYR B 32 51.230 -51.709 -23.716 1.00 49.66 MOLI C

ATOM 1888 CE1 TYR B 32 49.078 -51.536 -23.616 1,00 53.52 MOLI C

ATOM 1889 CD2 TYR B 33 51.592 -49.700 -22.506 1.00 51.65 MOLI C

ATOM 1890 CE2 TYR B 32 S0.240 -49.522 -22.392 1,00 58.62 MOLI C

ATOM 1891 CZ TYR B 32 49.384 -50.444 -22.946 1.00 58,75 MOLI C

ATOM 1892 OH TYR B 32 48.026 -50.297 -22.785 1,00 70.25 MOLI O

ATOM 1893 C TYR B 32 55.665 -51.785 -32-.266 1, Off 61.33 MOLI C

ATOM 1894 O TYRB 32 56.533 -51.00S -21.877 1.00 S4.82 MOLl 0 ATOM 1895 N ASN B 33 55.928 -52.888 -22.959 1.00 60.89 MOLl N ATOM 1896 CA ASN B 33 57.295 -53.215 -23.353 1.00 63.30 MOLl C ATOM 1897 CB ASN B 33 57.429 -54.661 -23.868 1.00 64.44 MOLl C ATOM 1898 CG ABN 3 33 56.811 -55.686 -22.944 1.00 69.90 MOLl C ATOM 1899 OD1 ASN B 33 56.929 -55.594 -21,722 1.00 71.26 MOLl Ο ATOM 1900 ND2 ASN B 33 56.159 -56.692 -23.534 1.00 73.88 MOLl N ATOM 1901 C ASN B 33 57.651 -52.276 -24.519 1,00 62.16 MOLl C ATOM 1902 O ASN B 33 56.778 -51.737 -25.189 1.00 64.71 MOL.1 O ATOM 1903 N MET B 34 58.934 -52.086 -24.771 1.00 53.74 MOLl N ATOM 1904 CA MET B 34 59.350 -51.240 -25.869 1.00 50.90 MOLl C ATOM 1905 CB MET B 34 59.902 -49.937 -25.328 1,00 48.83 MOLl C ATOM 1906 CG MET B 34 58.863 -49.094 -24.625 1.00 47,15 MOLl C ATOM 1907 SD MET B 34 57.512 -48.641 -25.725 1.00 50.43 MOLl S ATOM 1908 CE MET B 34 58.261 -47.327 -26,794 1.00 43.83 MOLl C ATOM 1909 C MET B 34 60.414 -51.986 -26.65B 1.00 52.46 MOLl C ATOM 1910 O MET B 34 61.012 -52.937 -26.158 1.00 53.36 MOLl O ATOM 1911 N ALA B 35 60.650 -51.578 -27.897 1.00 50.28 MOLl N ATOM 1912 CA ALA B 35 61.648 -52.266 -28.700 1.00 45.02 MOLl C ATOM 1913 CB ALA B 35 61.050 -53.515 -29.331 1.00 29.39 MOLl C ATOM 1914 C ALA B 35 62.235 -51.394 -29.775 1.00 48.08 MOLl C ATOM 1915 O ALA B 35 61.740 -50.296 -30.056 1.00 49.70 MOLl O ATOM 1916 N TRP B 36 63.330 -51.881 -30.351 1.00 51.88 MOLl N ATOM 1917 CA TRP. B 36 63.975 -51.177 -31.443 1.00 51.95 MOLl C ATOM 1918 CB TRP B 36 65.420 -50.809 -31.130 1.00 45.10 MOLl C ATOM 1919 CG TRP B 36 65.565 -49.798 -30.057 1.00 43.87 MOLl C ATOM 1920 CD2 TRP B 36 65.596 -48.378 -30.210 1.00 40.77 MOLl C ATOM 1921 CE2 TRP B 36 65.788 -47.822 -28.923 1.00 45.65 MOLl C ATOM 1922 CE3 TRP B 36 65.484 -47.521 -31.303 1.00 42.67 MOLl C ATOM 1923 CD1 TRP B 36 65.730 -50.043 -28.729 1,00 54.15 MOLl C ATOM 1924 NE1 TRP B 36 65.868 -48.861 -28.037 1.00 52.53 MOLl N ATOM 1925 CZ2 TRP B 36 65.870 -46.449 -28.701 1.00 38.30 MOLl C ATOM 1926 CZ3 TRP B 36 65.568 -46.151 -31.084 1.00 45.99 MOLl C ATOM 1927 CH2 TRP B 36 65.759 -45.631 -29.789 1,00 42.88 MOLl C ATOM 1928 C TRP B 36 63.934 -52.117 -32.623 1.00 49.95 MOLl C ATOM 1929 O TRP B 36 64.092 -53.334 -32.475 1.00 45.55 MOLl O ATOM 1930 N VAL B 37 63.687 -51.540 -33.783 1.00 46.39 MOLl N ATOM 1931 CA VAL B 37 63.617 -52.298 -35.013 1.00 47.88 ' MOLl C ATOM 1932 CB VAL B 37 62.169 -52.400 -35.492 1.00 41.67 MOLl C ATOM 1933 CGI VAL B 37 62.065 -53,324 -36.663 1.00 41.23 MOLl C ATOM 1934 CG2 VAL B 37 61.320 -52.898 -34.384 1.00 41.38 MOLl C ATOM 1935 C VAL B 37 64.427 -51.461 -35.975 1.00 52.48 MOLl C ATOM 1936 O VAL B 37 64.256 -50.241 -36.035 1.00 55.74 MOLl O ATOM 1937 N ARG B 39 65.316 -52.105 -36.718 1.00 52.27 MOLl N ATOM 1938 CA ARG B 38 66.165 -51.393 -37.664 1.00 52.32 MOLl C ATOM 1939 CB ARG B 38 67.613 -51.778 -37.423 1.00 59,42 MOLl C ATOM 1940 CG ARG B 38 67.768 -53.293 -37.331 1.00 64.80 MOLl C ATOM 1941 CD ARG B 38 69.102 -53.780 -37.846 1.00 65.87 MOLl C ATOM 1942 NE ARG B 38 70.211 -53.258 -37.064 1.00 69.65 MOLl N ATOM 1943 CZ ARG B 38 71.243 -53,996 -36.676 1.00 76.35 MOLl C ATOM 1944 NH1 ARG B 38 71,299 -55.286 -36.997 1.00 78,10 MOLl N ATOM 1945 NH2 ARG B 38 72.220 -53.444 -35.975 1.00 80.15 MOLl N ATOM 1946 C ARG B 38 65.814 -51.761 -39.086 1.00 49.40 MOLl C ATOM 1947 O ARG B 38 65.183 -52.799 -39.333 1.00 48.23 MOLl O ATOM 1948 N GLN B 39 66.260 -50.924 -40.019 1.00 44.75 MOLl N ATOM 1949 CA GLN B 39 66.027 -51.157 -41.438 1.00 43.64 MOLl C ATOM 1950 CB GLN B 39 64.729 -50.505 -41.854 1.00 41.38 MOLl C ATOM 1951 CG GLN B 39 64.449 -50.506 -43.329 1.00 34,67 MOLl C ATOM 1952 CD GLN B 39 63.095 -49.913 -43.611 1.00 42.91 MOLl C ATOM 1953 OE1 GLN B 39 62.779 -48.805 -43.156 1.00 43.88 MOLl 0 ATOM 1954 NE2 GLN B 39 62,278 -50.642 -44.35S 1.00 43.01 MOLl N ATOM 1955 C GLN B 39 67.160 -50.599 -42.279 1.00 47.48 MOLl C ATOM 1956 O GLN B 39 67.243 -49.390 -42.495 1.0D 44.38 MOLl O ATOM 195? N ALA B 40 68.029 -51.489 -42.751 1.08 52.72 MOLl N

ATOM 1958 CA ALA B 40 59.166 -51.097 -43.577 1.00 57.93 MOLl C

ATOM 1959 CB ALA B 40 70.051 -52.286 -43.815 1.00 60.62 MOLl C

ATOM 1960 C ALA B 40 68.715 -50.525 -44.909 1.0G 64.10 MOLl C

ATOM 1961 O ALA B 40 67.752 -51.001 -45.507 1.00 71.54 MOLl O

ATOM 1962 N PRO B 41 69.427 -49.510 -45.411 1.00 66.71 MOLl N

ATOM 1963 CD PRO B 41 70.733 -49.035 -44.936 1.00 66.97 MOLl C

ATOM 1964 CA PRO B 41 69.084 -48.877 -46.687 1.00 71.95 MOLl C

ATOM 1965 CB PRO B 41 70.376 -48.181 -47.081 1.00 65.76 MOLl C

ATOM 1966 CG PRO B 41 70.933 -47.794 -45.769 1.00 69.20 MOLl C

ATOM 1967 C PRO B 41 68.642 -49.890 -47.732 1.00 77.48 MOLl C ATOM 1968 O PRO B 41 69.321 -50.889 -47.968 1.00 80.43 MOLl 0

ATOM 1969 N GLY B 42 67.492 -49.633 -48.341 1.00 82.42 MOLl N

ATOM 1970 CA GLY B 42 66.977 -E0.529 -49.357 1.00 82.41 MOLl C

ATOM 1971 C GLY B 42 66.426 -51.829 -48.809 1.00 79.86 MOLl C

ATOM 1972 O GLY B 42 65.435 -52.347 -49.323 1.00 81.14 MOLl O

ATOM 1973 H LYS B 43 67.053 -52.351 -47.760 1.00 75.67 MOLl N

ATOM 1974 CA LYS B 43 66.620 -53.609 -47.167 1.00 78.61 MOLl C

ATOM 1975 CB LYS B 43 67,745 -54.174 -46.297 1.00 87,21 MOLl C

ATOM 1976 CG LYS B 43 69.005 -54.545 -47.080 1.00100.19 MOLl C

ATOM 1977 CD LYS B 43 69.995 -55.315 -46.201 1.00112.51 MOLl C

ATOM 1978 CE LYS B 43 69,365 -56.593 -45.627 1.00117.15 MOLl C

ATOM 1979 NZ LYS B 43 70.287 -57.328 -44.705 1,00117.37 MOLl N

ATOM 1980 C LYS B 43 65.306 -53.582 -46.367 1.00 73.40 MOLl C

( ATOM 1981 O LYS B 43 64.650 -52.543 -46.241 1.00 68.85 MOLl O

H ATOM 1982 N GLY B 44 64.939 -54.747 -45.835 1.00 67.59 MOLl N

ATOM 1983 CA GLY B 44 63.712 -54.886 -45.071 1.00 65.22 MOLl C

ATOM 1984 C GLY B 44 63.781 -54.467 -43.614 1.00 64.36 MOLl C

ATOM 1985 O GLY B 44 64.568 -53.594 -43.251 1.00 70.41 MOLl O

ATOM 1986 N LEU B 45 62.960 -55.083 -42.768 1.00 56.81 MOLl N

ATOM 1987 CA LEU B 45 62.943 -54.720 -41.357 1.00 51.84 MOLl C

ATOM 1988 CB LEU B 45 61,515 -54.395 -40.893 1.00 47.66 MOLl C

ATOM 1989 CG LEU B 45 60.686 -53.353 -41.671 1.00 49.11 MOLl C

ATOM 1990 CD1 LEU B 45 59.243 -53.418 -41.213 1.00 41.70 MOLl C

ATOM 1991 CD2 LEU B 45 61.229 -51.951 -41.487 1.00 34.18 MOLl C

ATOM 1992 C LEU B 45 63.511 -55.831 -40.505 1.00 55.33 MOLl C

ATOM 1993 O LEU B 45 63.154 -57.000 -40.665 1.00 59.00 MOLl O

ATOM 1994 N GLU S 46 64.400 -55.452 -39.593 1.00 57.69 MOLl N

ATOM 1995 CA GLU B 46 .65.052 -56.404 -38.697 1.00 61. B6 MOLl C

ATOM 1996 CB GLU B 46 66.557 -56.435 -38.971 1.00 75.49 MOLl C

ATOM 1997 CG GLU B 46 67.313 -57.598 -38.340 1.00 87.36 MOLl C

ATOM 1998 CD GLU B 46 68.743 -57.703 -38.864 1.00 92.97 MOLl C

ATOM 1999 OE1 GLU B 46 69.650 -57.057 -38.286 1.00 94.73 MOLl O ATOM 2000 OE2 GLU B 46 68.951 -58.423 -39.869 1.00 93.69 MOLl 0

ATOM 2001 C GLU B 46 64.819 -55.955 -37.277 1.00 58-22 MOLl C

ATOM 2002 O GLU B 46 64.976 -54.773 -36.965 1.00 53.10 MOLl O

ATOM 2003 N TRP B 47 64.443 -55.895 -36.419 1.00 57.07 MOLl N

ATOM 2004 CA TRP B 47 64.180 -56.569 -35.026 1.00 60.27 MOLl C

ATOM 2005 CB TRP B 47 63.291 -57.625 -34.381 1.00 57.30 MOLl C

ATOM 2006 CG TRP B 47 63.340 -57.537 -32.911 1.00 57.43 MOLl C

ATOM 2007 CD2 TRP B 47 63.840 -58.524 -32.010 1.00 64.30 MOLl C

ATOM 2008 CE2 TRP B 47 63.765 -57.983 -30.715 1.00 68.83 MOLl C

ATOM 2009 CE3 TRP B 47 64.348 -59.813 -32.172 1.00 69.52 MOLl C

ATOM 2010 CD1 TRP B 47 62.988 -56.474 -32.153 1.00 €4.23 MOLl C

ATOM 2011 HEI TRP B 47 63.238 -56.727 -30.828 1.00 68.28 MOLl N

ATOM 2012 CZ2 TRP B 47 64.180 -58.683 -29.592 1.00 69.21 MOLl C

ATOM 2013 CZ3 TRP B 47 64.758 -60.507 -31.057 1.00 69.35 MOLl C

ATOM 2014 CH2 TRP B 47 64.673 -59.941 -29.784 1.00 72.43 MOLl C

ATOM 2015 C TRP B 47 65,480 -56.507 -34.259 1.00 60.65 MOLl C

ATOM 2016 0 TRP B 47 66.271 -57.434 -34.327 1.00 69.26 MOLl O

ATOM 2017 N VAL B 48 65.706 -55.426 -33.527 1.00 58.46 MOLl N

ATOM 2018 CA VAL B 48 66.940 -55.305 -32.764 1,00 55.72 MOLl C

ATOM 2019 CB VAL B 48 67.3B9 -53.649 -32.644 1.00 48.84 MOLl C

ATOM 2020 CGI VAL B 48 68.417 -53.724 -31.552 1,00 42.05 MOLl C

ATOM 2021 C61 VKL B" 48 67.972 -53.385 -33.969 1.00 38.51 MOLl C

ATOM 2022 C VAL B 48 66.787 -55.889 -31.370 1.00 59,88 MOL1 C ATOM 2023 O VAL B 48 S7.259 -56.986 -31.117 1.00 66.07 MOL1 O ATOM 2024 Μ 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 -29.135 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 2020 O ALA B 49 64.124 -54,106 -29.007 1.00 75.80 MOL1 O ATOM 2029 N THE B 50 64.234 -55.727 -27.420 1.00 73.72 MOL1 N ATOM 2030 CA THE B 50 63.061 -55.266 -26.675 1.00 70.84 MOL1 C ATOM 2031 CB THE 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 THE B 50 62.084 -57.352 -27.765 1.00 63.45 MOL1 C ATOM 2034 C THE B 50 63.330 -55.371 -25.179 1.00 64.29 MOL1 C ATOM 2035 O THE 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 H ATOM 2037 CA ILE B 51 62.903 -54.368 -22.964 1.00 60.21 MOL1 C ATOM 2030 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 CGI 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 THE B 52 61.309 -54.984 -21.229 1.00 64.43 MOL1 N ATOM 2045 CA THE 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 50.427 -52.89B -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 TYRE 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 1.00100.45 MOL1 C ATOM 2056 CE1 TYR B 53 55.303 -55.628 -16.816 1.00103.92 MOL1 C ATOM 2057 CD2 TYR B 53 55.091 -52.887 -16.518 1.00101.50 MOL1 C ATOM 2058 CE2 TYR B 53 54.537 -53.728 -15.567 1.00105.53 MOL1 C ATOM 2059 CZ TYR B 53 54.643 -55.096 -15.721 1.00107.84 MOL1 C ATOM 2060 OH TYRE 53 54.066 -55.928 -14.785 1.00112.40 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 GLUB 54 59.158 -53.054 -15.315 1.00 96.04 MOL1 C ATOM 2065 CB GLUB 54 S9.150 -54.406 -14.616 1.00 96.47 MOL1 C ATOM 2066 CG GLU B 54 59.909 -55.466 -15.386 1.00102.64 MOL1 C ATOM 2067 CD GLU B 54 59.069 -56.704 -15.648 1.00109.60 MOL1 C ATOM 2068 0E1 GLU B 54 59.569 -57.620 -16.343 1.00110.56 MOL1 O ATOM 2069 0E2 GLU B 54 57.913 -56.763 -15.160 1.00106.82 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 ΕΓ ATOM 2073 CA GLY B 55 62.557 -52.552 -15.849 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 AEG B 56 63.117 -54.801 -16.151 1.00102.67 MOL1 ΚΓ ATOM 2077 CA AEG B 56 64.071 -55.846 -15.815 1.00109.99 MOL1 C ATOM 2078 CB AEG B 56 64.027 -56.143 -14.310 1.00120,09 MOL1 C ATOM 2079 CG ARG B 56 65.396 -56 .531 -13.704 1.00131.53 MOL1 C ATOM 2080 CD ARG B 56 66.519 -55.506 -14.023 1.00138.72 MOL1 C ATOM 2081 NE ARG B 56 66.268 -54.159 -13.493 1.00142.56 MOL1 N ATOM 2082 CZ AEG B 56 67.086 -53.117 -13.654 1.00140.61 MOLL C ATOM 2083 MH1 AEG B 56 68.219 -53.255 -14.331 1.00139.77 MOLL N ATOM 2084 NH2 AEG B 56 66.767 -51.932 -13.145 1.00137,84 MOLL N ATOM 2085 C ARG B 56 63.876 -57.122 -16.625 1.00107.40 MOL1 C

atom 2086 O ARG B 56 63.302 -58.099 -16.150 1.00105.77 MOL1 O ATOM 2087 N ASM B 57 64.370 -57.075 -17.859 1.00106.30 MOL1 Sr ATOM 2088 CA ASNB 57 64.330 -5B.175 -18.819 1.00103.13 MOL1 C ATOM 2089 CB ASM B 57 63.020 -58.954 -18.735 1.00109.31 MOIil C ATOM 2090 CG ASNB 57 63.171 -60.237 -17.943 1.00116.48 MOL1 C ATOM 2091 OD1 ASN B 57 64.056 -61,055 -18.226 1.00119.17 MOL1 0 ATOM 2092 MD2 ASNB 57 62.312 -60.424 -16.946 1.00119.65 MOL1 N ATOM 2093 C ASNB 57 64.532 -57.641 -20.229 1.00 97.02 MOL1 C ATOM 2094 O ASNB 57 63.639 -57.047 -20.824 1.00 94.31 MOL1 0 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 -57.405 -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 MOKL N ATOM 2103 CA TYR B 59 66.252 -59.657 -25.112 1.00 92,72 MOL1 C ATOM 2104 CE TYR B 59 64.872 -60.004 -25.665 1.00 94.05 MOL1 C ATOM 2105 CG TYR B 59 63.975 -60.555 -24.578 1.00101.13 MOL1 C ATOM 2106 CD1 TYR B 59 63.472 -59.727 -23.579 1.00103.97 MOIil C ATOM 2107 CE1 TYR B 59 62.746 -60.23B -22.511 1.00104.73 MOIil C ATOM 2108 CD 2 TYR B 59 63.715 -61.923 -24.485 1.00103.68 MOL1 C ATOM 2109 CE2 TYR B 59 62.986 -62.446 -23.418 1.00105.50 MOL1 C ATOM 2110 CZ TYR B 59 62.508 -61.595 -22.433 1.00106.12 MOL1 C ATOM 2111 OH TYR B 59 61.816 -62.095 -21.352 1.00105.21 MOL1 O ATOM 2112 C TYR B 59 67.311 -59.689 -26.214 1.00 93.91 MOIil C ATOM 2113 O TYR B 59 68.066 -60.661 -26.304 1.00101,59 MODI O ATOM 2114 N TYR B 60 67.376 -58.561 -27.052 1.00 86.78 MOL1 N ATOM 2115 CA TYR B 60 68.381 -58.608 -28.123 1.00 81.63 MOIil C ATOM 2116 CB TYR B 60 69.795 -58.542 -27.542 1.00 68.64 MOIil C ATOM 2117 CG TYR B 60 69.995 -57.478 -26.506 1.00 59,84 MOIil C ATOM 2118 CD1 TYR B 60 69.653 -57.705 -25.181 1.00 59.97 MOIil C ATOM 2119 CE1 TYR B 60 69.802 -56.716 -24.225 1.00 65.05 MODI 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 MOIil C ATOM 2122 CZ TYR B 60 70.294 -55.477 -24.595 1.00 65,79 MOIil 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 MOI.1 C ATOM 2125 O TYR B 60 67.950 -60.850 -28.948 1.00 03.74 MOL1 0 ATOM 2126 N ARG B 61 68.887 -59.354 -30.351 1.00 85.06 MOIil N ATOM 2127 CA ARG B 61 68.987 -60.229 -31.507 1.00 89.57 · MOIil 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 60.986 -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 MOIil C ATOM 2131 NE ARG B 61 68.150 -59.964 -36.418 1.00 95.41 MOIil N ATOM 2132 CZ ARG B 61 68.957 -60.493 -37.334 1,00100.00 HOL1 C ATOM 2133 NH1 ARG B 61 70.271 -60.318 -37.239 1,00101.90 MOIil 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 MOIil C ATOM 2136 O ARG B 61 71.350 -60.324 -31.129 1.00 97.78 MOIil O ATOM 2137 N ASP B 62 70.369 -62.225 -31.784 1.00 96,51 MODI N ATOM 2138 CA ASP B 62 71.633 -62.952 -31.779 1.00 97,02 MOIil C ATOM 2139 CB ASP B 62 71.390 -64.447 -32,022 1.00107.96 MOIil C ATOM 2140 CG ASP B 62 71.171 -65.232 -30.728 1.00114.45 MOL1 C ATOM 2141 OD1 ASP B 62 70.495 -64.717 -29.805 1.00115.26 MODI 0 ATOM 2142 OD2 ASP B 62 71.672 -66.376 -30.644 1.00115.30 MOIil 0 ATOM 2143 C ASP B 62 72.497 -62.382 -32.888 1.00 92.57 MOL1 C ATOM 2144 0 ASP B 62 72.675 -63.016 -33.921 1.00 96.14 MOIil O ATOM 2145 N SER B 63 73.023 -61.181 -32.674 1.00 86.96 MOL1 ST ATOM 2146 CA SERB 63 73.854 -60.516 -33.673 1.00 87.32 MOI.1 C ATOM 2147 CB SERB 63 73.075 -50.284 -34,977 1.00 91.29 MOI.1 C ATOM 2148 OG SERB 63 72.923 -61.474 -35.742 1.00 96.02 MOIil O ATOM 2149 C SERB 63 74.340 -59.177 -33.161 1.00 85.60 MOIil C

ATOM 2150 O SEE B 63 75.072 -58.469 -33.SS0 1.00 86.71 MOLl O ATOM 2151 N VAL B 64 73.913 -58.823 -31.957 1.00 83.68 MOLl 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 MOLl C ATOM 2154 CGI 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 MOIil C ATOM 2156 C VAL B 64 74.305 -57.719 -29.858 1.00 92.93 MOL1 C ATOM 2157 C 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 55 74.343 -59.222 -27.962 1.00104.57 MOL1 C ATOM 2160 CB LYS B 65 74.088 -60.702 -27.656 1.00104.76 MQL1 C ATOM 2161 CG LYS B 65 73.871 -60.958 -26.173 1.00110.85 MOL1 C ATOM 2162 CD LYS B 65 73.555 -62.413 -25.871 1.00117.47 MOL1 C ATOM 2163 CE LYS B 65 73.388 -62.625 -24.367 1.00119.04 MOL1 C ATOM 2164 NZ LYS B 65 73.094 -64.045 -24.021 l.OOlia.64 MOL1 KF ATOM 2165 C LYS B 65 75.684 -58.793 -27.376 1.00104.37 MOL1 C ATOM 2166 O LYS B 65 76.731 -58.921 -28.021 1.00103.03 MOL1 O ATOM 2167 M GLY B 66 75.646 -58.274 -26.154 1.00102.25 MOL1 ΚΓ ATOM 2168 CA GLY B 66 76.865 -57.819 -2S.520 1.00101.34 MOL1 C ATOM 2169 C GLY B 66 77.301 -56.469 -26.061 1.00100.26 MOL1 C ATOM 2170 O GLY B 66 77.736 -55.601 -25,293 1.00102.10 MOLl O ATOM 2171 N AEG B 67 77.177 -56.288 -27.377 1.00 94.56 MOL1 N ATOM 2172 CA ARG B 67 77.562 -ΞΞ.039 -20.037 1.00 91.19 MOL1 C ATOM 2173 CB ARG B‘ 67 77.781 -55.274 -29.532 1.00 92.23 MOLl C ATOM 2174 CG AEG B 67 78.604 -56.509 -29.831 1.00 96.75 MOLl C ATOM 2175 CD ARG B 67 79.057 -56.587 -31.285 1.00 97.01 MOLl C ATOM 2176 NE ARG B 67 77.961 -56.587 -32.252 1.00 92.98 MOLl M ATOM 2177 CZ AEG B 57 77.561 -55,515 -32.927 1.00 90.72 MOLl C ATOM 2178 MH1 ARG B 67 76.560 -55.610 -33.789 1.00 92.03 MOLl N ATOM 2179 NH2 ARG B 67 78.165 -54.348 -32.746 1.00 87.27 MOLl M ATOM 2180 C AEG B 67 76.520 -53.937 -27.842 1.00 89.64 MOLl C ATOM 2181 O ARG B 67 76.863 -52.764 -27.696 1.00 82.64 MOLl O ATOM 2182 N PHE B 68 75.245 -54.315 -27.853 1.00 90.14 MOLl ΚΓ ATOM 2183 CA PHE B 68 74.174 -53.345 -27.653 1.00 88.75 MOLl C ATOM 2184 CB PHE B 68 73.011 -53.548 -28.633 1.00 93.SS MOLl C ATOM 2185 CG PHE B 68 73.251 -53.011 -30.017 1.00 93.67 MOLl C ATOM 2186 CD1 PHE B 68 74.102 -51.950 -30.237 1.00 92.74 MOLl C ATOM 2187 CD2 PHE B 68 72.587 -53.558 -31.099 1.00 91.80 MOLl C ATOM 2188 CE1 PHE B 68 74,280 -51.455 -31.512 1.00 92.25 MOLl C ATOM 2189 CE2 PHE B 68 72.766 -53.062 -32.366 1.00 91.38 MOLl C ATOM 2190 CZ PHE B 68 73.613 -52.009 -32.573 1.00 91.73 MOH C ATOM 2191 C PHE B 68 73.609 -53.489 -26.255 1.00 86,27 MOLl C ATOM 2192 O PHE B 58 73.826 -54.497 -25.580 1.00 85.81 MOLl O ATOM 2193 W THR B 59 72.862 -52.475 -25.839 1.00 82.42 MOLl N ATOM 2194 CA THR B 69 72.224 -52.481 -24.534 1.00 85.27 MOLl C ATOM 2195 CB THR B 69 73.225 -52.072 -23.422 1.00 89.83 MOLl C ATOM 2196 OG1 THR B $9 74.120 -53.164 -23.171 1.00 91.62 MOLl O ATOM 2197 CG2 THR B 69 72.494 -51.712 -22.127 1.00 88.90 MOLl C ATOM 2198 C THR B 69 70.993 -51.571 -24.512 1.00 84.21 MOLl C ATOM 2199 O THR B 69 71.096 -50.352 -24.666 1.00 84.76 MOLl O ATOM 2200 N ILE B 70 69.822 -52.180 -24.333 1.00 81.35 MOLl N ATOM 2201 CA ILE B 70 68.563 -51.442 -24.291 1.00 77.85 MOLl C ATOM 2202 CB ILE B 70 67.428 -52.236 -24.926 1.00 77.51 MOLl C ATOM 2203 CG2 ILE B 70 67.296 -53.573 -24.230 1.00 65.9B MOLl C ATOM 2204 CGI ILE B 70 66.131 -51.420 -24.857 1.00 78.19 MOLl C ATOM 2205 CD1 ILE B 70 64.973 -52.037 -25.623 1.00 80.92 MOLl C ATOM 2206 C ILE B 70 68.159 -51.120 -22.862 1.00 78.88 MOLl C ATOM 2207 O ILEB 70 68.299 -51.946 -21.964 1.00 78.72 MOLl O ATOM 2208 N SERB 71 67.629 -49.923 -22.656 1.00 79.84 MOLl M ATOM 2209 CA SERB 71 67.240 -49.507 -21.318 1.00 81.01 MOLl C ATOM 2210 CB SERB 71 68.453 -48.931 -20.618 1.00 85.85 MOLl C ATOM 2211 OG SER B 71 68.959 -47.846 -21.380 1.00 88.29 MOLl O ATOM 2212 C SER B 71 66.149 -48.450 -21.343 1,00 81.45 MOLl C ATOM 2213 O SER B 71 65.978 -47.756 -22.342 1.00 83.47 MOLl O

ATOM 2214 N AEG B 72 65.424 -48.311 -20.235 1.00 79.53 MOL1 N ATOM 2215 CA AEG 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 62.57B -48.E79 -19.254 1.00 72.98 MOL1 C ATOM 2218 CD ARG B 72 61.431 -49.766 -19.681 1.00 73.00 MOLil C ATOM 2219 HE 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 59.2S3 -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 -46.5B7 -18.826 1.00 73.41 MOIil 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 -13.740 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 ASPS 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 0 ATOM 2230 0D2 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 MOIil C ATOM 2236 CG ASN B 74 59-699 -47.366 -16.723 1.00 SB.63 MOL1 C ATOM 2237 0D1 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 MOIil 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 MOIil 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 1.00102.03 MOL1C ATOM 2248 CB LYS B 76 62.130 -38.474 -18.242 1.00108.64 MOL1 C ATOM 2249 CG LYS B 76 62.651 -37.617 -17.097 1.00119.35 MOL1 C ATOM 2250 CD LYS B 76 64.154 -37.329 -17.254 1.00121.07 MOL1 C ATOM 2251 CE LYS B 76 64.445 -36.455 -18.478 1.00122.47 MODI C ATOM 22B2 NZ LYS B 76 65.893 -36.117 -18.612 1.00120.70 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 MOIil 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 MOU 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 -43.8B0 -22.645 1.00 55.66 MOL1 C ATOM 2268 O SERB 78 63.030 -44.640 -21.694 1.00 58.81 MOL1 0 ATOM 2269 H LEU B 79 63.195 -44.195 -23.B95 1.00 56.03 MOL1N ATOM 2270 CA LEU B 79 63.763 -45.484 -24.252 1.00 55.87 MODI 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 62.54B -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 ΪΪ 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 6B.356 -45.415 -23.779 1.00 61.18 MOL1 C ATOM 2280 CG TYR B 80 67.B59 -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 MODI 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 65.992 -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 MOLL 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. B12 -47.982 -27.036 1.00 61.74 MOL1 C ATOM 2291 CB LEU B 81 69.406 -48.252 -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 M0L1 C ATOM 2294 CD2 LEU B 81 69.740 -49.759 -3 0.483 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 M0L1 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 77.0B 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 -32.39B 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 ASNB 84 77.563 -50.228 -28.701 1.00 90.93 MOL1 N ATOM 2315 CA ASNB 84 79.016 -50.311 -28.526 1.00 94.51 MOL1 C ATOM 2316 CB ASNB 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 M0L1 C ATOM 2318 OD1 ASN B 84 79.009 -48.873 -25.928 1.00 96 . B3 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 ASNB 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 SERB 85 81.849 -53.222 -30.333 1.00102.16 MOL1 C ATOM 2325 OG SER B 85 82.641 -54.008 -31.207 1.00106.22 MOL1 O ATOM 2326 C SER B 85 8D.B42 -51.355 -32.186 1.00 95.52 MOL1 C ATOM 2327 O SERB 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 1.0O 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 C3 ARG B 87 79.627 -54.444 -36.801 1.00100.00 MOL1 C ATOM 2339 CG ARG B 87 79.675 -55.332 -35.556 1.00111.29 MOL1 C ATOM 2340 CD ARG B B7 81.094 -55.636 -35.096 1.00124.71 MOL1 C ATOM 2341 NE ARG B 87 81.114 -56.577 -33.973 1.0-0136.98 MOL1 N

ATOM 2342 CZ ARQB 87 82.197 -56.881 -33.253 1.00142.47 MOL·! C Aim 2343 NH1 AEG B 87 83.366 -56.317 -33.542 1.00145.24 MOLl N ATOM 2344 HH2 AHG B 87 82.112 -57.746 -32.252 1.00142.45 MOLl K ATOM 2345 C AEG B 87 79.706 -52.153 -37.807 1.00 91.66 MOLl C ATOM 2346 O ARG B 67 79.058 -51.135 -37.591 1.00 87.56 MOLl O ATOM 2347 N ALA B 88 80.005 -52.54.9 -39,038 1.00 94.65 MOLl H ATOM 2348 CA ALA B 88 79.567 -51.769 -40.193 1.00 95.57 MOLl C ATOM 2349 CB ALA B 88 80.627 -51.802 -41.291 1.00 98.24 MOLl C ATOM 2350 C ALA B 88 7B.236 -52.291 -40.725 1.00 95.75 MOLl C ATOM 2351 O ALA B 88 77.481 -51.559 -41.361 1.00 92.75 MOLl O ATOM 2352 H CLUB 89 77.953 -53.561 -40.462 1.00 96.30 MOLl N ATOM 2353 CA GLOB 89 76.707 -54.154 -40.905 1.00 97.62 KOL1 C ATOM .2354 CB GLU B 89 76.835 -55.684 -40.919 1.00106.24 MOLl C ATOM 2355 CG GLU B 89 77.211 -56.320 -33,581 1.00120.92 MOLl C ATOM 2356 CD GLU B 89 76.088 -57.184 -38.986 1.00130.30 MOLl C ATOM 2357 OE1 GLU B 89 76.312 -57.803 -37.924 1.00131.94 MOLl O ATOM 2358 OE2 GLU B 89 74.984 -S7.240 -39.583 1.00133.92 MOLl O ATOM 2359 C GLU B 83 75.562 -53.700 -39.989 1.00 94.40 MOLl C ATOM 2360 O GLU B 83 74.442 -54.207 -40.DS7 1.00 95.94 MOLl G ATOM 2361 N ASP B 90 75.848 -52.724 -39,131 1.00 89.39 KQL1 N ATOM 2362 CA ASP B 90 74.857 -52.193 -38.293 1.00 83.27 MOLl C ATOM 2363 CB ASP B 90 75.499 -51.873 -36,842 1.00 85.32 MQL1 C ATOM 2364 CG ASP B 90 75.718 -53.110 -35.974 1.00 91.03 MOLl C ATOM 2365 OD1 ASP B SO 75.257 -54.217 -35.357 1.00 89.00 MOLl O ATOM 2366 OD2 ASP B 30 76.340 -52.964 -34.894 1.00 88.62 MOLl O ATOM 2367 C ASP B 90 74.206 -50,924 -38.716 1.00 79.69 MOLl C ATOM 2368 O ASP B 90 73.295 -50.399 -38.088 1.00 78.86 MOLl O ATOM 2369 N THR B 91 74.686 -50.420 -39.848 1.00 78.76 KOB1 N ATOM 2370 CA THR B 91 74.142 -49.194 -40.433 1.00 73.34 MOLl C ATOM 2371 ÇB THR B £1 74.872 -48,823 -41.706 1.00 68.24 MOL1C ATOM 2372 QG1 THR B 91 76.279 -48.980 -41.516 1.00 69.85 MOLl O ATOM 2373 CG2 THR B SI 74.572 -47.409 -42.073 1.00 62.10 MOLl C ATOM 2374 C THR B 91 72.679 -49.375 -40.808 1.00 76.36 MOLl C ATOM 2375 O THR B SI 72,315 -50,390 -41.410 1.00 81.79 MOLl O ATOM 2376 N ALA B 92 71.846 -48.395 -40.465 1.00 70.36 MOLl N ATOM 2377 CA ALA B 92 70-423 -48-463 -40.783 1.00 66.19 MOLl C ATOM 2378 CB ALA B 32 69. B54 -49.814 -40.373 1.00 64.76 MOLl C ATOM 2379 C ALA B 92 69.651 -47.370 -40.081 1.00 64.77 MOLl C ATOM 2380 O ALA B S2 70.229 -46.506 -39,420 1.00 67.65 MOLl O ATOM 2381 M VAL B 93 68.334 -47.393 -40.250 1.00 60.04 MOLl N ATOM 2382 CA VAL B 93 67.507 -46.435 -39.555 1.00 54.68 MOLl C ATOM 2383 CB VAL B 93 66.386 -45.386 -40,390 1.00 52.41 MQH C ATOM 2384 CGI VAL B 93 65.218 -45.538 -39,484 1.00 51.63 MOLl C ATOM 2385 CG2 VAL B 93 66.852 -44.630 -41.032 2.00 54.11 MOLl C ATOM 2386 C VAL B S3 66.917 -47.182 -38.382 1.00 55.09 MOLl C ATOM 2387 O VAL B 93 66.327 -48.256 -38.529 1.00 53.60 MOLl O ATOM 2388 H TYR B 94 67.112 -46.622 -37.202 1.00 52.57 MOLl H ATOM 2389 CA TYR B 94 66.617 -47.261 -36.021 1,00 47.72 MOLl C ATOM 2390 CB TYR B 94 67.615 -47.108 -34.885 1.00 48.04 MOLl C ATOM 2391 CG TYR B 94 68.771 -48.070 -35.032 1.Q0 52.97 MOLl C ATOM 2392 CD1 TYR B 94 69.714 -47.909 -36.045 1.00 58.49 MOLl C ATOM 2393 CE1 TYR B 94 70.727 -48.831 -36.233 1.00 62.20 MOLl C ATOM 2394 CD2 TYR B 94 68.880 -49.182 -34.209 1.00 50.31 MOLl C ATOM 2395 CE2 TYR B 94 69,882 -50.112 -34.389 1.00 56.78 MOLl C ATOM 2396 CZ TYR B 94 70.802 -49.935 -35.401 1.00 64.78 MOLl c ATOM 2397 OH TYR B 94 71.788 -50.S7S -35.585 1.00 67.91 MOLl O ATOM 2398 C TYR B 94 65.277 -46.716 -35.648 1,00 47.66 MOLl C ATOM 2399 O TYR B S4 65.106 -45.509 -35.519 1.00 47.18 MOLl 0 ATOM 2400 N TYR B 95 64.330 -47.642 -35.499 1.00 47.28 MO LIN ATOM 2401 CA TYR B 9S 62.946 -47.35S -35.146 1.00 42.92 MOLl C ATOM 2402 CB TYR B 95 62.009 -48.074 -36.112 1.00 41.36 MOLl C ATOM 2403 CG TYR B 95 61.952 -47.495 -37.503 1.00 36.03 MOLl Ç ATOM 2404 CD1 TYR B 95 62.216 -48,286 -38.610 1.00 31.42 M3L1 C ATOM 2405 CE1 TYR B 95 62.135 -47.770 -39.894 1.00 31.36 MOLl 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 -36.990 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 42.4Ξ MOL1 ST ATOM 2413 CA CYS B 96 61.2B0 -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 2413 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 SBR B 98 53.682 -47.961 -2B.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 -2B.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 -23.520 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 -23.417 1.00 43.50 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 -23.766 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 ¢7.961 -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 4B.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 ¢7.203 -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 0 GLN B 101 45.799 -50.078 -24.329 l.OD 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 -2B.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.B55 1.00 67.71 MOL1 C ATOM 2459 CE2 TYR B 102 44.629 -51.0B9 -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 MCL1 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 ¢5.431 -57.966 -25,965 1.00 40.77 MOL1 C ATOM 24 6 9 CE1 TYR B 103 ¢4.739 -58.689 -27.913 l.trO 39.01 MOL1 C

ATOM 2470 CD2 TYR B 103 45.421 -S6.073 -28.309 1.00 37.07 MOL1 C

ATOM 2471 CE2 TYR B 103 44.725 -56.7B5 -29.340 1.00 37.65 MOL1 C

ATOM 2472 CZ TYR B 103 44.385 -5B.092 -29.090 1.00 40.30 MOL1 C

ATOM 2473 OH TYR B 103 43.664 -50-795 -30.040 1.00 45.78 MOL1 O

ATOM 2474 C TYR B 103 46.438 -55.312 -23.731 1.00 61.14 MOL.1 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 MODI N

ATOM 2477 CA GLU B 104 43.736 -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 2403 C GLU B 104 48.567 -56.196 -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 H

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 SERB 106 51.584 -57.772 -17.440 1.00101.06 MOL1 O

^ ATOM 2493 C SER B 106 52.076 -53.352 -21.075 1.00 76.46 MOL1 C

ATOM 2494 O SER B 106 53.261 -53.468 -21.354 1.00 80.98 MOL1 O

ATOM 2495 N XLE 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 CGI ILE B 107 48.850 -59.916 -23.365 1.00 57.52 MOL1 C

ATOM 2500 CD1 ILE B 107 47.709 -59.968 -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 25 05 CB TYR B 108 55.791 -61.316 -23.8 79 1.0 0 72.0 0 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 G

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 ME ARG B 109 54.686 -65.846 -25.985 1,00103.95 MOL1 N

ATOM 2521 CZ ARG B 109 55.168 -67.084 -25.885 1.00107.07 MOL1 C

ATOM 2522 NH1 ARG B 109 55.456 -67.775 -26.983 1.00108.09 MOL1 N

ATOM 2523 NH2 ARG B 109 55.362 -67.629 -24.683 1.00102.84 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 0

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 SO.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.&7S 1.00 46.46 MOL1 O

ATOM 2534 N TRP B 111 52.399 -57.530 -31.040 1.00 4B.24 MODI N ATOM 2535 CA TRP B 111 52.964 -56.916 -32.237 1.00 48.84 MODI C ATOM 2536 CB TRP B 111 51.964 -57.012 -33.391 1.00 48.00 MOIil C ATOM 2537 CG TRP B 111 50.647 -56.428 -33.029 1.00 46.57 MOL1 C ATOM 2538 CD£ 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 NOLI 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 MODI C ATOM 2542 KfEl 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 MODI O ATOM 2548 H FHE B 112 53.309 -54.598 -32,851 1.00 46.77 MODI 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 MOIil C ATOM 2552 CD1 PHE B 112 56.749 -54.370 -31.842 1.00 62.59 MODI 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 MODI 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 MODI C ATOM 2558 O PHE B 112 53.405 -52.088 -34.608 1.00 43,22 MODI O ATOM 2559 N ΑΙΑ B 113 51.977 -51.358 -32.997 1.00 39.22 MOL1 N ATOM 2560 CA ALA B 113 51.449 -SO.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 MODI C ATOM 2562 C ALA B 113 52.290 -49.105 -33.185 1.00 39.72 MODI C ATOM 2563 O ALA B 113 52.953 -49,271 -32.180 1.00 43.81 MODI 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 MODI C ATOM 2566 CB HXS 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 49.2S4 -46.761 -30.832 1.00 58.SB 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 MODI 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 2590 CE3 TRP B 115 58.737 -49.665 -36.941 1.00 37.30 MODI 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 H GLY B 116 58.306 -44.820 -34.376 1.00 42.65 MODI N ATOM 2589 CA GLY B 116 58.788 -43.451 -34.384 1.00 ¢4.00 MODI 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 H GLN B 117 59.763 -41.973 -36.075 1.00 53.34 MODI 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 MODI C ATOM 2595 CG GLN B 117 61.399 -39.485 -36.89B 1.00 80.29 MOL1 C ATOM 2596 CD GLN B 117 61.066 -39.298 -35.429 1.00 90.29 MODI C ATOM 2597 OE1 GLN B 117 60.009 -38.752 -35,086 1.00 91.75 MODI O

ATOM 2Ξ98 N22 OLN B 217 SI.968 -39-739 -34.551 1.00 90.06 MQL1 N

ATOM 2599 C GIN B 117 61.490 -42.306 -37.7X0 2.00 52.56 MOL1 C

ATOM 2GOO O GLK B 117 61.863 -42.539 -38.852 1.00 53.79 MOL1 O

ATOM 2601 M SLY B 118 62.212 -42.596 -36.632 1.00 52.43 MOLL N

ATOM 2602 CA SLY B 118 63.508 -43.246 -36.736 1.00 53.65 MQL1 C

ATOM 2603 C GIiY B 118 64.687 -42.320 -36.967 1.00 52.41 MOL1 C

ATOM 2604 O GLY B 113 64.507 -41.207 -37.462 1.00 54.86 MOL1 O

ATOM 2605 N THR B 119 65.884 -42.7SS -36.579 1.00 49.15 MQL1 K

ATOM 2606 CA THE 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 MOLl C ATOM 2608 QG1 THE B 119 67.548 -42.508 -34.471 1.00 53.33 MOLl 0

ATOM 2609 CG2 THR B 119 67.453 -40.166 -35.136 1.00 53.36 MOLl C

ATOM 2610 C THR B 119 68.119 -42.816 -37.554 1.00 50.51 MOLl C

ATOM 2611 O THR B 119 68.283 -44.019 -37.318 1.00 47.34 MOIil 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 69.82C -42.761 -39.274 0.50 49.21 ’ MOLl C

ATOM 2514 CE LEU B 120 70.031 -41.891 -40.498 1.00 48.65 MOL1 C

ATOM 2615 CG LSU B 120 71.120 -42.347 -41.453 1.00 46.65 MOLl 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 MOLl C

ATOM 2619 O LED B 120 71.641 -42.058 -37.916 1.00 4B.24 MOL1 O

ATOM 2620 H VAL B 121 71.696 -44.164 -38.670 1.00 44.98 MOL1 M

ATOM 2621 CA VAL B 121 72.966 -44.463 -33.034 1.00 51.17 MOLl C

^ ATOM 2622 CB VAL B 121 72.765 -45.379 -36.821 1.00 51.60 MOL1 C

ATOM 2623 CGI VAL B 121 74.104 -45.701 -36.172 1.00 40.79 MOLl C

ATOM 2624 CG2 VAL B 121 71.847 -44.700 -35.336 1.00 49.63 MOL1 C

ATOM 2625 C VAL B 121 73.879 -45.136 -39,046 1,00 56.48 MOLl C

ATOM 2626 O VAL B 121 73.663 -46.30D -39.410 1.00 55.82 MOL1 O

ATOM 2627 W THR B 122 74.890 -44.396 -39.503 1.00 59.17 MOLl M

ATOM 262B 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 MOLl C

ATOM 2632 C TOR B 122 77.259 -45.152 -39.970 1.00 67.95 MOL1 C

ATOM 2633 O TER B 122 78.011 -44.216 -39,694 1.00 72.78 MOLl O

ATOM 2634 N VAL B 123 77.617 -46.423 -39.836 1.C0 71.58 MOL1 N

ATOM 2635 CA VAL B 123 78.941 -46.804 -33.378 1.00 76.99 KOL1 C

ATOM 2636 CB VAL B 123 78.872 -48.098 -38,544 1.00 75.96 MOLl C

ATOM 2637 CGI VAL B 123 78.099 -49.149 -39,286 1.00 86.41 MOLl C

ATOM 2638 CG2 VAL B 123 80,254 -48.607 -38.261 1.00 84.18 KOL1 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 KOL1 O

ATOM 2641 N SEE B 124 80.685 -45.974 -40.865 1.00 86,73 MOLl N

ATOM 2642 CA SER B 124 81.627 -45.986 -41.986 1.00 90.91 MOLl C

ATOM 2643 CB SIR B 124 81.040 -45.209 -43.173 1.00 94.57 KOll C

ATOM 2644 OG SBR B 124 81.931 -45.159 -44.277 1.00 93.43 MOL1 O

ATOM 2645 C SBR B 124 82.956 -45,355 -41.572 1.00 92.08 MOLl C

ATOM 2645 O SER B 124 82.978 -44.409 -40,783 1.00 94,13 MOll O

ATOM 2647 N SERB 125 84.058 -45.877 -42.110 1.00 90.43 MOll K

ATOM 2648 CA SIR B 125 85.3B8 -45.366 -41.794 1.00 83.28 MOll C

ATOM 2649 CB SBR B 125 86.423 -46.486 -41.903 1.00 79.81 MOLl C

ATOM 2650 OG SSR B 125 86-211 -47.259 -43.06B 1.00 85.28 MOLl O

ATOM 2651 C SBR B 125 85.782 -44.194 -42.681 1.00 79.66 KOL1 C ATOM 2652 O SER B 125 86.730 -43,481 -42.3B4 1.00 78.73 MOLl 0

ATOM 2653 H ALA B 126 85.044 -43,990 -43.763 1.00 79.96 MOLl 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 KOL1 C

ATOM 2656 C ΑΙΑ B 126 85.265 -41.548 -43.954 1.00 81.14 MOLl C ATOM 2657 O ALA B 126 84.682 -41.431 -42.875 1.00 82.37 MOLl 0

ATOM 2658 N LYS B 127 85-859 -40.535 -44,573 1.0Q 81.98 MQLl N

ATOM 2659 CA LYS B 127 85.926 -39.205 -43,963 1-00 87,15 MOW- C

ATOM 2660 CB LYS B 127 87.391 -38.794 -43.795 1.00 99.20 MGL1 C

ATOM 2661 03 LYS B 127 88.340 -23.923 -43.332 1.00111,33 MQLl C ATOM 2662 CD LYS B 127 86.734 -40.877 -44.484 1.00116.04 MODI C ATOM 2663 CE LYS B 127 89.702 -41.973 -44.023 1.00114.55 MOL1 C ATOM 2664 NZ LYS B 127 90.022 -42.962 -45.103 1.00107.62 MOL1 17 ATOM 2665 C LYS B 127 83.243 -38.193 -44.871 1.00 80.91 MODI Ç ATOM 2666 0 LYS B 127 85.237 -38.340 -46,079 1.00 79,56 MOXil 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 B3.999 -36.115 -45.026 1.00 80.44 MOL1 C ATOM 2669 CB THR B 12B B3.662 -34.900 -44.123 1.00 Θ7.75 MOL1 C ATOM 2670 OG1 THR B 128 B3.157 -33.824 -44.930 1.00 91.00 MOL1 O ATOM 2671 CG2 THR B 12B 84.906 -34.433 -43.354 1,00 95.92 MOL1 C ATOM 2572 C THR B 128 B4.809 -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 0 ATOM 2674 N THR B 129 34,277 -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 M0L1 C ATOM 2676 CB THR B 129 B5.295 -36.655 -49.546 1.00 55,93 MOL.1 C ATOM 2677 OG1 THR B 129 86.154 -37.538 -48.824 1.00 47.85 MOL1 0 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 0 THR B 129 32.822 -35.132 -49.801 1.00 72.74 MOL1 0 ATOM 2681 N PRO B 130 84.365 -33.534 -50,135 1.00 71.79 MOL1 M 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 B4.0B9 -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 KOL1 C ATOM 2686 C PRO B 130 33.356 -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 MODI O ATOM 2688 N PRO B 131 82.327 -33.319 -53.130 1.00 79.47 MOLl H ATOM 2689 CD PRO B 131 81.168 -32.449 -52.863 1.00 85.BB 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 KOL1 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 MODI 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 MOXil O ATOM 2701 N VAL B 133 82.588 -32.438 -59.452 1.00 63.51 MODI 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 CGI 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 MODI 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 H TYR B 134 81.548 -33.196 -62.669 1.00 57.45 MODI N ATOM 2709 CA TYR B 134 B1.873 -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 MODI 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 KOL1 C ATOM 2715 CE2 TYR B 134 84.693 -36.477 -62.114 1.00 53.51 MODI 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 0 ATOM 2718 C TYR B 134 B0.573 -33.020 -64.854 1.00 57.98 MOLil 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 MODI N ATOM 2721 CD PRO B 135 81.773 -31.604 -56.474 1.00 55.20 MOL1 C ATOM 2722 CA PROS 135 79.462 -32.118 -66.886 1.00 60.31 MODI 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 MODI c ATOM 2726 0 PRO B 135 8C.232 -33.431 -68.716 1.00 62.45 MOL1 0

ATOM 2727 N LEO 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 77.34B -34.011 -70.387 1.D0 67.26 MOL1 C

ATOM 2734 0 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 MODI C

ATOM 2739 O ALA B 137 78.578 -35.130 -73.745 1.00 79.25 MOL1 O

ATOM 2740 N PRO B 136 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 BS.88 MOL1 C

ATOM 2745 C PRO B 136 78.048 -35.128 -76.659 1,00 89.70 MODI 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 1.00113.85 MOL1 C

H ATOM 2749 C GLY B 139 78.962 -35.612 -79.730 1.00124.92 MOL1 C

ATOM 2750 O GLY B 139 77.951 -34.928 -79.916 1.00126.20 MOL1 O

ATOM 2751 N SER B 140 79.905 -35.768 -80.651 1.00133.36 MOL1 N

ATOM 2752 CA SER B 140 79.739 -35.132 -81.953 1.00140.03 MOL1 C

ATOM 2753 CB SER B 140 81.176 -34.925 -82.550 1.00140.08 MODI C

ATOM 2754 OG SER B 140 82.012 -34.265 -81.617 1.00143.82 MOL1 O

ATOM 2755 C SER B 140 78.940 -35.998 -82.879 1.00145.00 MQL1 C

ATOM 2756 O SERB 140 79.256 -36.157 -34.058 1.00145.81 KOLIO

ATOM 2757 N ALA B 141 77.861 -36.555 -82.331 1.00150.83 MOL1 N

ATOM 2758 CA ALA B 141 76.948 -37.411 -33.087 1.00154.88 MODI C

ATOM 2759 CB ALA B 141 76.494 -38.575 -82.222 1.00155.02 MOL1 C

ATOM 2760 C ALA B 141 75.734 -36.636 -83.591 1.00158.07 MOL1 C

ATOM 2761 0 ALA B 141 74.611 -37.145 -83.580 1.00156.84 MOL1 O

ATOM 2762 N ΑΓΑ B 142 75.979 -35.401 -84.024 1.00162.10 MODI N

ATOM 2763 CA SLA B 142 74.948 -34,514 -84.556 1.00163,53 MOL1 C

ATOM 2764 CB ALA B 142 74.538 -34.974 -85.957 1.00164.67 MOL1 C

ATOM 2765 C ALA B 142 73.711 -34.363 -83.671 1.00162.99 MOL1 C

ATOM 2766 O ALA B 142 73.661 -34.880 -82.550 1.00161.99 MOL1 O

ATOM 2767 N GLN B 143 72.716 -33.648 -34.196 1.00162.28 MOL1 N

ATOM 2768 CA GLN B 143 71.471 -33.386 -83.480 1.00160.11 MOL1 C

ATOM 2769 CB GLN B 143 71.247 -31.077 -83.359 1.00156.48 MOL1 C

ATOM 2770 CG GLN B 143 69.969 -31.516 -82.638 1.00150.39 MOL1 C

ATOM 2771 CD GLN E 143 69.859 -32.222 -81.307 1.00146.35 MOL1 C

ATOM 2772 OE1 GLN B 143 70.743 -32.106 -80.459 1.00141.00 MOL1 O

ATOM 2773 NE2 GLN B 143 68.774 -32.966 -81.118 1.00145.15 MOL1 N

ATOM 2774 C GLN B 143 70.235 -34.018 -84.115 1.00159.54 MOL1 C

ATOM 2775 O GLN B 143 69.692 -33.505 -85.095 1.00158.40 MOL1 O

ATOM 2776 N THR B 144 69.796 -35.135 -83.546 1.00159.59 MOL1 N

ATOM 2777 CA THR B 144 68.609 -35.826 -84,032 1.00157.12 MOL1 C

ATOM 2778 CB THR B 144 68.856 -37.357 -84.186 1.00155.IB MOL1 C ATOM 2779 OG1 THR B 144 69.976 -37.504 -85,055 1.00147.12 MOL1 0

ATOM 2780 CG2 THR B 144 67.622 -38.043 -84.775 1.00151.91 MODI C

ATOM 2781 C THR B 144 67.500 -35.579 -83.006 1.00156.85 M0L1 C ATOM 2782 O THR B 144 67.773 -35.375 -81.817 1.00157.41 MODI 0

ATOM 2783 N ASNB 145 66.255 -35.579 -83.474 1.00153.16 MOL1N

ATOM 2784 CA ΑΞΝ B 145 65.106 -35.354 -82.604 1.00147.39 MOL1 C

ATOM 2785 CB ΑΞΝ B 145 65.129 -36.354 -81.432 1.00151.09 MOL1 C

ATOM 2786 CG ASNB 145 63,833 -36,355 -00.623 1.00153.65 MOL1 C ATOM 2787 0D1 ASN B 145 62.736 -36.473 -81.178 1.00155.14 MOL1 0

ATOM 2788 NE2 ASN B 145 63.960 -36.238 -79.304 1.00151.49 MOL1 N

ATOM 2789 C ASN B 145 65.089 -33.911 -82.087 1.00133.28 MOL1 C ATOM 2790 O ASN B 145 66.083 -33.184 -82.169 1.00134.73 MOL1 Ο ATOM 2791 N SERB 146 63.942 -33.513 -81.556 1.00130.39 MOL1 N ATOM 2792 CA SERB 146 63.742 -32.174 -81.039 1.00121.32 MOL1 C ATOM 2793 CB SER B 146 62.252 -31.872 -81.046 1.00121.39 MOL1 C ATOM 2794 OG SER B 146 61.539 -32.977 -80.523 1.00119.93 MOL1 O ATOM 2795 C SER B 146 64.287 -31.963 -79.638 1.00116.49 MOL1 C ATOM 2796 O SERB 146 64.423 -30.829 -79.190 1.00117.95 MOL1 O ATOM 2797 N MET B 147 64.606 -33.049 -73.947 1.00109.47 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 33.01 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 CGI 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 58.728 -33.401 -74,592 1.00 83.56 MOL1 C ATOM 2811 O VAL B 143 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 6B.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 MQL1 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 SLY 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 M0L1 C ATOM 2830 0 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 45.33 MOL1 C ATOM 2841 CD1 LEU B 153 73.795 -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 M0L1 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 -3S.631 -58.207 1.00 44.57 MOL1 □ ATOM 2848 CGI 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 M0L1 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 M0L1 N ATOM 2853 CA LYS B 155 81,726 -38.187 -58.128 1.00 47.10 MODI 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 82.954 -39.984 -59.438 1.00 48.09 MOL1 C ATOM 2855 CD LYS B 155 83.884 -40.241 -SO.515 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 2B58 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 1S6 83.200 -38.166 -53.833 1.00 69.92 MOL1 C ATOM 2864 O GLY B 156 84.041 -37.293 -S3.618 1.00 77.50 MOL1 O ATOM 2865 N TYR B 157 82.068 -38.264 -53.142 1.00 70.11 MOL1 M ATOM 2866 CA TYR B 157 81.761 -37.335 -52.063 1.00 64.80 MOL1 C ATOM 2867 CB TYR B 157 80.589 -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 -Ξ1.826 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 -38.215 -4 8.493 1.00 74.39 MOL1 C ATOM 28 79 CB PHE B 150 81.953 -39.235 -4B.058 1.00 65,26 MOL1 C ATOM 2880 CG PHE B 158 81.537 -40.043 -46.880 1.00 64.19 MOL1 C ATOM 2881 CD1 ΡΗΞ B 158 81.138 -41.365 -47.035 1.00 72.15 MOL1 C ATOM 28 32 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 80.599 -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 79.521 -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 289 0 CA PRO B 159 78.570 -38.465 -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 2B95 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 74,092 -39.444 -47,971 1.00 85.56 MOL1 C ATOM 2B9B CG GLU B 160 74.270 -40.523 -49.046 1.00 B2.66 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 MGL1 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 92.05 MOL1 C ATOM 2909 C PRO B 161 73.854 -35.095 -4S.828 1.00 89.06 MOL1 C ATOM 2910 C 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 B1.00 MOLtl C ATOM 2913 CB VAL B 162 75.002 -34.526 -53.121 1.00 79.53 MOL1 C ATOM 2914 CGI 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 183 72.85 7 -32.358 -5Ξ.935 l.DO 79.82 MOLl N ATOM 2919 CA THR B 163 71.424 -31.850 -53.511 1.00 83.82 MOLl C ATOM 2920 CB THR B 163 70.814 -30.706 -52.688 1.00 SB.23 MOLl C ATOM 2921 OG1 THR B 163 71.513 -29.485 -52.941 1.00 92.89 MOLl O ATOM 2922 CG2 THR B 183 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 MOLl C ATOM 2924 O THR B 163 72.513 -30.376 -55.037 1.00 83.05 MOLl O ATOM 2925 N VAL B 164 71.071 -31.855 -55.904 1.00 82.18 MOLl 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 CGI VAL B 164 71.828 -31.964 -59.589 1.00 80.19 MOLl C ATOM 2929 CG2 VAL B 164 72.927 -33.140 -57.694 1.00 81.90 MOIil C ATOM 2930 C VAL B 164 70.059 -30.683 -57.793 1.00 85.73 MOLl C ATOM 2931 O VAL B 164 6B.930 -31.037 -57.445 1.00 90.71 MOLl O ATOM 2932 N THR B 165 70.293 -29.690 -58.646 1.00 85.71 MOLl N ATOM 2933 CA THR B 165 69.223 -28.911 -59.254 l.DO 86.99 MOL1 C ATOM 2934 CB THR B 165 6B.794 -27.760 -58.365 1.00 84.35 MOL1 C ATOM 2935 OG1 THR B 165 SB.662 -26.588 -59.174 1.00 86.68 MOL1 O ATOM 2936 CG2 THR B 165 59.826 -27.504 -57.282 1.00 82.83 MOLl C ATOM 2937 C THR B 165 69.696 -28.297 -60.557 1.00 87.96 MOLL 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 SB.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 MOLil N ATOM 2948 C22 TRP B 166 71.921 -32.029 -64.523 1.00 94.04 MOLl C ATOM 2949 C23 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 1.00105.82 MOL1 O ATOM 2953 N ASN B 167 69.539 -25.026 -63.159 1.O0 99.81 MOL1 N ATOM 2954 CA ASN Ξ 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.B48 1.00 87.45 MOLl C ATOM 2957 OD1 ASN B 167 70.279 -22.622 -65.929 1.00 83.06 MOL1 0 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 MOLl C ATOM 2960 0 ASN B 167 67.612 -22.263 -62.099 1.00 95.45 NOLI O ATOM 2961 N SER B 168 69.013 -23.571 -60.920 1.00 99.16 MOLl N ATOM 2962 CA SER B 168 68.530 -23.209 -59.605 1.00103.13 MOL1 C ATOM 2963 CB SER B 168 68.962 -21.781 -59.282 1,00105.76 MOLl C ATOM 2964 OG SER B 168 70.379 -21.701 -59.186 1.00104.13 MOL1 O ATOM 2965 C SER B 168 67.034 -23.389 -59.391 1.00105.80 MOL1 C ATOM 2966 O SER B 168 66.469 -22.866 -58.430 1.00112.60 MOI.1 O ATOM 2967 N GLY B 169 66.396 -24.151 -60.271 1.00103.98 MOLl N ATOM 2968 CA GLY B 169 64.975 -24.395 -60.122 1,00102.24 MOLl C ATOM 2969 C GLY B 169 64.203.-24.118 -61.390 1.00101.31 MOL.1 C ATOM 2970 O GLY B 169 63.037 -24.491 -61.506 1.00101.78 MOL1 O ATOM 2971 N SER B 170 64.851 -23.459 -62.344 1.00100.43 MOL1 N ATOM 2972 CA SER B 170 64.206 -23.136 -63.610 1.00103.82 MOLl C ATOM 2973 CB SER B 170 65.167 -22.362 -64.524 1.00105.34 MOI.1 C ATOM 2974 OG SBR B 170 65.513 -21,096 -63.976 1.00106.93 MOLl O ATOM 2975 C SERB 170 63.739 -24.410 -64.312 1.00103.24 MOI.1 C ATOM 2976 O SER B 170 62.668 -24.447 -64.916 1.00104.85 MOL1 O ATOM 2977 N LEU B 171 64.552 -25.454 -64.220 1.00101.77 M0L1 N ATOM 2978 CA LEU B 171 64.245 -26.737 -64.B38 1.00 97.44 MOL1 C ATOM 2979 CB LEU B 171 65.469 -27.234 -65.596 1.00 85.50 MOLl C ATOM 2980 CG LEU B 171 65.734 -26.597 -66.954 1-00 75.09 MOLl C ATOM 298-1 CD1 LEU B 171 65.33(1 -25.148 -66.967 1.00 31.51 MOLl C

ATOM 2982 CD2 LEU B 171 67.183 -26.741 -67.257 1.00 74.81 MOLl C

ATOM 2983 C LEU B 171 63.859 -27.751 -63.774 1.00100.19 MOLl C

ATOM 2984 O LEU B 171 64.701 -28.165 -62.975 1.00 99.25 MOLl O

ATOM 2985 N SERB 172 62.593 -28.153 -63.756 1.00103.78 MOLl N

ATOM 2986 CA SERB 172 62.139 -29.123 -62.766 1,00111.40 MOL1 C

ATOM 2987 CB SER B 172 61.091 -28.490 -61.843 1.00118. B2 MOLl C

ATOM 2988 OG SER B 172 60.013 -27.933 -62.582 1.00129.27 MOLl O

ATOM 2989 C SER B 172 61.560 -30.351 -63.450 1.00110.58 MOLl C ATOM 2990 O SER B 172 61.656 -31.471 -62.938 1.00109.57 MOLl 0

ATOM 2991 N SER B 173 60.966 -30.128 -64.615 1.00109.96 MOLl N

ATOM 2992 CA SER B 173 60.360 -31.200 -65.385 1.00110.01 MOLl C

ATOM 2993 CB SER B 173 59.115 -30.675 -66.105 1.00115.15 MOLl C

ATOM 2994 OG SER B 173 59.278 -29.312 -66.472 1.00120.73 MOLl O

ATOM 2995 C SER B 173 61.354 -31.773 -66.381 1.00106.83 MOLl C

ATOM 2996 O SER B 173 62.180 -31.047 -66.939 1.00106.61 MOLl O

ATOM 2997 N GLY B 174 61.272 -33.082 -66.594 1.00103.41 MOLl N

ATOM 2998 CA GLY B 174 62.182 -33.735 -67.519 1.00 98.00 MOLl C

ATOM 2999 C GLY B 174 63.556 -33.909 -66.902 1.00 90.42 MOLl C

ATOM 3000 O GLY B 174 64.568 -34.021 -67.598 1.00 90.12 MOLl O

ATOM 3001 N VAL B 175 63.590 -33.928 -65.579 1.00 82.41 MOLl N

ATOM 3002 CA VAL B 175 64.839 -34.086 -64.867 1.00 75.83 MOLl C

ATOM 3003 CB VAL B 175 65.078 -32.923 -63.895 1.00 72.58 MOLl C

ATOM 3004 CGI VAL B 175 65,923 -33.385 -62.725 1.00 68.11 MOLl C

ATOM 3005 C32 VAL B 175 65.777 -31.797 -64.621 1.00 69.53 MOLl C

^ ATOM 3006 C VAL B 175 64.865 -35.377 -64.087 1.00 73.80 MOLl C

ATOM 3007 O VAL B 175 63.891 -35.744 -63.435 1.00 76.99 MOLl O

ATOM 3008 N HIS B 176 65.995 -36.064 -64.164 1.00 69.57 MOLl N

ATOM 3009 CA HIS B 176 66.170 -37.313 -63.459 1.00 63.67 MOLl C

ATOM 3010 CB HIS B 176 66.184 -38.477 -64.440 1.00 59.02 MOLl C

ATOM 3011 CG HIS B 176 64.846 -38.786 -65.024 1.00 54.57 MOLl C

ATOM 3012 CD2 HIS B 176 64.443 -38.915 -66.310 1.00 56.32 MOLl C

ATOM 3013 ND1 HIS B 176 63.741 -39.040 -64.245 1.00 47.59 MOLl U

ATOM 3014 CE1 HIS B 176 62.712 -39.314 -65.028 1.00 57.73 MOLl C

ATOM 3015 NE2 HIS B 176 63.111 -39.245 -66.286 1.00 55.09 MOLl N

ATOM 3016 C HIS B 176 67.473 -37.301 -62.687 1.00 60.01 MOLl C ATOM 3017 O HIS B 176 68.550 -37.359 -63.277 1.00 63.17 MOLl 0

ATOM 3018 N THR B 177 67.377 -37.199 -61.369 1.00 49.33 MOLl N

ATOM 3019 CA THR B 177 68,564 -37.228 -60.542 1.00 44.72 MOLl C

ATOM 3020 CB THR B 177 68.535 -36.154 -59.466 1.00 44.70 MOLl C ATOM 3021 OG1 THR B 177 68.910 -34.901 -60.048 1.00 47.85 MOLl 0

ATOM 3022 CG2 THR B 177 69.493 -36.513 -58.319 1.00 37.69 MOLl C

ATOM 3023 C THR B 177 68.557 -38.587 -59.883 1.00 44.14 MOLl C

ATOM 3024 O THR B 177 67.717 -38.863 -59.032 1.00 48.38 MOLl O

ATOM 3025 N PHE B 178 69.496 -39.437 -60.276 1.00 36.90 MOLl N

ATOM 3026 CA PHE B 178 68.556 -40.784 -59.757 1.00 35.45 MOLl C

ATOM 3027 CB PHE B 17B 70.324 -41.622 -60.749 1.00 34.29 MOLl C

ATOM 3028 CG PHE B 178 69.831 -41,470 -52.154 1.00 34.63 MOLl C

ATOM 3029 CD1 PHE B 178 68,988 -42.419 -62.722 1.00 41.22 MOLl C

ATOM 3030 CD2 PHE B 178 70.168 -40.363 -62.898 1.00 31.17 MOLl C

ATOM 3031 CE1 PHE B 17B 68.489 -42.261 -54.007 1.00 31.40 MOLl C

ATOM 3032 CE2 PHE B 17B 69.671 -40.200 -64.187 1.00 36.21 MOLl C

ATOM 3033 CZ PHE B 178 68.834 -41.147 -64.735 1.00 34.22 MOLl C ATOM 3034 C PHE B 178 70.133 -40.938 -58.361 1.00 38.82 MOLl 0

ATOM 3035 O PHE B 178 70.817 -40.066 -57.844 1.00 41.93 MOLl O

ATOM 3036 N PRO B 179 69.823 -42.053 -57.717 1.00 39.92 MOLl N

ATOM 3037 CD PRO B 17S 68.718 -42.912 -58.147 1.00 42.26 MOLl C

ATOM 3038 CA PRO B 179 70.266 -42.412 -56.374 1.00 47.21 MOLl C

ATOM 3039 CB PRO B 179 69.563 -43.732 -56.129 1-00 46.52 MOLl C

ATOM 3040 CG PRO B 179 68.292 -43.536 -56.842 1.00 52. D5 MOLl C

ATOM 3041 C PRO B 179 71.763 -42.577 -56.319 1.00 55.33 MOLl C

ATOM 3042 O PRO B 179 72.362 -43.179 -57.207 1.00 63.13 MOLl O

ATOM 3043 N ALA B 180 72,374 -42.053 -55.270 1.00 61.91 MOLl N

ATOM 3044 CA ALA B 180 73.815 -42.181 -55.123 1-00 66.51 MOLl C

ATOM 3045 CB ALA B 180 74.289 -41.361 -53.931 1.00 67.83 MOLl C

ATOM 3046 C ΑΙΑ B 160 74.169 -43.653 -54.925 1.00 65.38 MOLl C ATOM 3047 O AI* B 180 73.400 -44.417 -54.350 1.00 64.94 M0L1 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 M0L1 C ATOM 3050 CB VAL B 181 75.769 -46.121 -56.625 1.00 61.30 MOL1 C ATOM 3051 CGI VAL B 181 76.559 -45.307 -57.626 1.00 64.46 M0L1 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 M0L1 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 G 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 60.6B 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 81.94 0 -46.550 -55.159 1.00103.35 MOL1 C ATOM 3065 CB GLN B 183 82.149 -45,585 -56.339 1.00105.01 MOL1 C ATOM 3066 CG GLN B 183 82.928 -46.219 -57.510 1.OO10B.OO MOL1 C ATOM 3067 CD GLN B 183 83.172 -45.267 -58.686 1.00107.81 MODI C ATOM 3068 OE1 GLN B 183 82.239 -44.649 -59.208 1.00102.97 MOL1 O ATOM 3069 NE2 GLN B 183 84.433 -45.161 -59.114 1.00106.13 MOLl N ATOM 3070 C GLN B 183 83.192 -46.588 -54.282 1.00107.21 MOL1C ATOM 3071 O GLN B 183 83.S94 -45.644 -54.255 1.00107.06 MOL1 O ATOM 3072 N SERB 184 83.33B -47.696 -53.560 1.00108.45 MOLl N ATOM 3073 CA SER B 184 84.467 -47.900 -52.670 1.00106.07 MOL1 C ATOM 3074 CB SER B 184 85.754 -48.042 -53.491 1.00109.58 MOL1 C ATOM 3075 OG SERB 184 85.668 -49.151 -54.380 1.00107.72 MOL1 O ATOM 3076 C SER B 184 84.577 -46.756 -51.664 1.00102.55 MOLl 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 -50.575 1.00 99.87 MOL1 N ATOM 3079 CA ASP B 185 83.800 -45.945 -49.489 1.00 99.99 MOLl C ATOM 3080 CB ASP B 185 85.049 -46.132 -48.633 1.00113.23 MOL1 C ATOM 3081 CG ASP B 185 85.294 -47.599 -48.287 1.00121.20 MODI C ATOM 3082 OD1 ASP B 185 84.360 -48.258 -47.771 1.00123.76 MOL1 O ATOM 3083 OD2 ASP B 185 86.417 -48.092 -48.537 1.00125.07 MOL1 O ATOM 3084 C ASP B 185 83.642 -44.500 -49.939 1.00 93.27 MOLl C ATOM 3085 O ASP B 185 84.261 -43.592 -49.402 1.00 91.74 MODI O ATOM 3006 N LEU B 186 82.783 -44.297 -50.926 1.00 89.70 MOL1 N ATOM 3087 CA LEU B 1B6 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 MOLl C ATOM 3089 CG LEU B 186 84.700 -41.676 -51.407 1.00 89.92 MOLl C ATOM 3090 CD1 LEU B 186 86.042 -41.580 -52.110 1.00 95.15 MOLl 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.IB MOLl 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 -52.21B 1.00 61.53 MOL1 C ATOM 3097 CG TYR B 187 77.685 -41.764 -50.982 1.00 57.Dl 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 ca TYR B 187 76.79D -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 MOLl O ATOM 3106 N THR B 188 78.791 -41.680 -55.362 1.00 69.39 MOLl N ATOM 3107 CA THR B 188 78.835 -41.170 -56.723 1.00 67.27 MOLl C ATOM 3108 CB THR B 1SB 79.666 -42.073 -57.625 1.00 59.30 MOLl C ATOM 3109 OG1 THR B 188 81.015 -42.117 -57.148 1.00 79.26 MOLl O

ATOM 3110 032 THU B lag 79.631 -41.360 -59.Q4S 1.00 66.69 MOLI C

ATOM 3111 C THR B 188 77.423 -41.187 -57.269 1.00 63.71 MOtl C

ATOM 3112 O THR B 188 76.7S1 -42.216 -57.202 1.00 65.03 MOLI O

ATOM 3113 N LEIF B 109 76.966 -4Q.062 -57,806 1.00 54.59 MOLI N

ATOM 3114 CA LEO B 189 75.528 -40.017 -58.361 1.00 49.73 MOLi C

ATOM 3115 CB LEO B 189 74.648 -39.449 -57.338 1.00 42.85 MOLI C

ATOM 3116 CG LEO B 189 74.286 -37.964 -57.332 1.00 45.67 »1,1 C

ATOM 3117 CD! LEO B 189 73.527.-37.544 -58.567 1.00 38.70 MOLI C

ATOM 3118 CD2 LEO B 189 73.423 -37.721 -56.134 1.00 37.05 MOLI C

ATOM 3119 C UE0 B 189 75,625 -39.179 -59.619 1.00 50.65 MOLI C

ATOM 3120 0 LEO B 189 76.489 -3B.333 -59,805 1.00 54.33 MOLI O

ATOM 3121 N SERB 190 74.649 -39.424 -60,482 1.00 52.64 MOLI N

ATOM 3122 CA SER B ISO 74.530 -38.697 -61.735 1.00 54.20 MOLI C

ATOM 3123 CB SERB ISO 74.757 -39.646 -62.900 1.00 57.86 MOLI C

ATOM 3124 OG SER B ISO 73.943 -40.796 -62.755 1.00 67.10 MOLI O

ATOM 3125 C SERB 190 73.143 -38.105 -61.S49 1.00 54.39 MOLI C

ATOM 3126 O SER B 190 72.240 -38.432 -61.119 1.00 54.55 MOLI O

ATOM 3127 ti SER B 191 72.972 -37.167 -62.769 1.00 55.30 MOLI N

ATOM 3128 CA SER B 191 71.674 -36.547 -62.973 1,00 54.42 MOLI C

ATOM 3129 CB SER B 191 71,467 -35.389 -62.014 1.00 54.05 KOL1 C

ATOM 3130 OG SER B 191 70.266 -34.717 -62.335 1.00 58.62 MOLI O

ATOM 3131 C SER B 191 71,542 -36.039 -64.387 1,00 55.25 KOL1 C

ATOM 3132 a SER B 191 72.363 -35,252 -64.845 1.00 55.60 MOLI O

ATOM 3133 N SER B 192 70.503 -36.496 -65.075 1.00 57.49 MOLI H

M ATOM 3134 CA SER B 192 70.266 -36.083 -66.447 1,00 61.32 MOLI C

ATOM 3135 CB SER B 192 69.892 -37.274 -67.324 1.00 65.44 MOLI C

ATOM 3136 OS SER B 192 68.551 -37.665 -67.081 1.00 73.00 MOLI O

ATOM 3137 C SER B 192 69.132 -35.G86 -66.492 1.00 59.32 MOLI C

ATOM 3138 O SER B 192 68.349 -34,980 -65.556 1.00 58.01 KOL1 O

ATOM 3139 K VAL B 193 69.059 -34.361 -67.599 1.00 59.58 MQL1 H

ATOM 314 0 eft VAL B 133 6 8.026 -33.364 -67.820 1.00 5 9.14 MOLI C

ATOM 3141 C3 VAL B 193 6B.414 -31.991 -67.232 1.00 58.14 MOLI C

ATOM 3142 CS1 VAL B 193 69.794 -31.566 -67.710 1.00 50.78 MOLI O

ATOM 3143 CS2 VAL B 193 67.375 -30.971 -67.633 1.00 54.34 MOLI C

ATOM 3144 C VAL B 193 67.775 -33.209 -69,307 1,00 60.40 MOLI C

ATOM 3145 Q VAL B 193 68.679 -32.B94 -70.076 1.00 63.83 MOLI O

ATOM 3146 N THR B 194 66.545 -33,448 -63.725 1.00 59.61 MOLI N

ATOM 3147 CA THR B 194 66.239 -33-325 -71.133 1.00 67.96 MOLI C

ATOM 3148 CB THR B 194 65.172 -34.333 -71.551 1.00 68.81 MOLI C

ATOM 3149 OGl THR B 194 65.509 -35.610 -70.996 1.00 77.62 MOLI O

ATOM 3150 CG2 THR B 194 65.114 -34.466 -73.079 1.00 63.49 MOLI C

AT0K 3151 C THE B 194 65.791 -31.904 -71.423 1.G0 73.21 MOLI C

ΑΤ0ΡΪ 3152 Q THR B 194 65.368 -31.179 -70.527 1.00 76.10 MOLI Q

ATOM 3153 M VALE 195 65.883 -31,506 -72.684 1.00 76.41 MOLI W

ATOM 3154 CA VAL B 195 65.545 -30.150 -73.068 1.00 74.34 MOLI C

ATOM 3155 CB VALE 19S 66.631 -29.206 -72.555 1.00 66.37 MOLI C

ATOM 3156 CGI VAL B 195 67.130 -28.335 -73.675 1.00 61.14 MOLI C

ATOM 3157 CG2 VAL B 195 66.110 -28.397 -71.401 1.00 63.66 MOLI C

ATOM 3158 C VAL S> 195 65.457 -30.016 -74.585 1.00 81.67 MOLI C

ATOM 3159 O VAL B 195 66,125 -30,733 -75.325 1.00 83.13 MOLI O

ATOM 3160 N PRO B 196 64.634 -29.081 -75.066 1.00 88.47 MOLI W

ATOM 3161 CD PRO B 196 63.774 -28.181 -74.262 1.00 92.03 MOLI C

ATOM 3162 CA BRO B 196 64.462 -28.854 -76.506 1.00 91.83 MOLI C

ATOM 3163 CB PRO P 196 63.408 -27.750 -76.561 1.00 93.80 MOLI C

ATOM 3164 CG PRO B 196 62,659 -27.902 -75.253 1.00 94.40 MOLI C

ATOM 3165 C PRO B 196 65.763 -28.429 -77.180 1.00 94.22 MOLI G

ATOM 3166 O PRO B 196 66.427 -27.493 -76.734 1.00 92.88 MOLI O

ATOM 3167 K SER B 197 66.113 -23.115 -78.262 1.00 97.48 MOLI N

ATOM 3168 CA SER B 197 67.334 -28.826 -79.007 1,00100.32 MOLI C

ATOM 3169 CB ΕΞΗ. B 197 67.385 -29.633 -30.272 1.00 96.90 MOLI C

ATOM 3170 0G SER B 197 66.139 -29.707 -80.948 1,00 94.23 MQLl Q

ATOM 3171 C SWi B 197 67.478 -27.356 -73.377 1.00104.09 MOLI C

ATOM 3172 0 SER B 197 68.592 -26.849 -79.514 1.00104.50 MOLI Q ATOM 3173 fif SER B 198 66.347 - 26.674 -79.533 2.0010-9.43 MOLI If

ATOM 3174 CA SER B 198 66.355 -25.2G3 -79.897 1.00110.51 MOLl C ATOM 3175 CB SERB 198 64.978 -24.833 -B0.411 1.00108.99 MOL·! C ATOM 3176 OS SERB 198 63.989 -24.930 -79.4D1 1.00111.15 MOLl O ATOM 3177 C SERB 198 66.780 -24.372 -78.733 1.00109.23 MOL1 C ATOM 3178 0 SERB 198 67.292 -23.275 -78.952 1.00110.24 MOL1 O ATOM 3179 N THR B 199 66.580 -24.848 -77.503 1.00108.30 MOLl N ATOM 3180 CA THR B 199 66.951 -24.080 -76.310 1.00110.76 MOL1 C ATOM 31Θ1 CB THR B 199 65.942 -24.276 -75.138 1.00113.30 MOL1 C ATOM 3182 OG1 THR B 199 65.832 -25.667 -74.821 1.00114.54 MOL1 O ATOM 3183 CG2 THR B 199 64.566 -23.722 -75.502 1.00118.95 MOLl C ATOM 3184 C THR B 199 68.343 -24.413 -75.769 1.00108.82 MOL1 C ATOM 3185 O THR B 199 68.614 -24,202 -74.584 1.00105.85 MOLl 0 ATOM 3186 N TRP B 200 69.208 -24.945 -76.633 1.00107.48 MOL1 N ATOM 3187 CA TRF B 200 70.586 -25.292 -76.269 1.00103.53 MOIil 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 MOLl C ATOM 3192 CE3 TRP B 200 73.144 -28.641 -76.103 1.00 80.27 MOLl C ATOM 3193 CD1 TRP B 200 72.503 -26.059 -73.63B 1.00 91.69 MOL1 C ATOM 3194 NE1 TRP B 200 73.758 -26.523 -73.306 1.00 84.66 MOLl H ATOM 3195 CZ2 TRP B 200 75.265 -28.278 -74.254 1.00 77.42 MOLl C ATOM 3196 CZ3 TRP B 200 74.296 -29.397 -76.170 1.00 74.97 MOLl C ATOM 3197 CH2 TRP B 200 75.341 -29.213 -75.252 1.00 78.91 MOLl C ATOM 3198 C TRP B 200 71.377 -25.572 -77.531 1.00106.26 MOLl C ATOM 3199 O TRP B 200 70.889 -26.238 -78.443 1.00105.91 MOLl O ATOM 3200 N PRO B 201 72.622 -25.080 -77.597 1.00109.15 MOLl N ATOM 3201 CD PRO B 201 73.557 -2S.484 -78.659 1.00106.75 MOLl C ATOM 3202 CA PRO B 201 73.313 -24.290 -76.566 1.00110. B9 MOLl C ATOM 3203 CB PROS 201 74.772 -24.323 -77.019 1.00108.78 MOLl C ATOM 3204 CG PRO B 201 74.846 -25.553 -77.912 1.00108.54 MOLl C ATOM 3205 C PRO B 201 72.801 -22.855 -76.450 1.00114.98 MOLl C ATOM 3206 O PRO B 201 73.366 -22.051 -75.706 1.00115.76 MOLl O ATOM 3207 N SER B 202 71.742 -22.545 -77.201 1.00117.80 MOLl N ATOM 3208 CA SER B 202 71.126 -21.219 -77.212 1.00119.64 MOLl C ATOM 3209 CB SER B 202 69.705 -21.322 -77.764 1.00117.95 MOLl C ATOM 3210 OG SER B 202 69.691 -22.078 -78.964 1.00117.45 MOLl O ATOM 3211 C SERB 202 71.098 -20.610 -75.812 1.00123.42 MOLl C ATOM 3212 O SER B 202 71.941 -19.774 -75.476 1.00126.01 MOLl O ATOM 3213 N GLU B 203 70.126 -21.013 -74.997 1.00125.06 MOLl N ATOM 3214 CA GLU B 203 70.054 -20.503 -73.633 1.00127.20 MOLl C ATOM 3215 CB GLU B 203 68.661 -20.722 -73.02B 1.00132.57 MOLl C ATOM 3216 CG GLU B 203 67.622 -19.666 -73.421 1.00136.08 MOLl C ATOM 3217 CD GLU B 203 66.306 -19.821 -72.662 1.00139.23 MOLl C ATOM 3218 OE1 GLU B 203 65.553 -20.785 -72.933 1.00139.00 MOLl O ATOM 3219 OE2 GLU B 203 66.028 -18.977 -71.783 1.00141.09 MOLl O ATOM 3220 C GLU B 203 71.115 -21.241 -72.820 1.00126.53 MOLl C ATOM 3221 O GLU B 203 71.971 -21.915 -73.389 1.00125.59 MOLl O ATOM 3222 N THR B 204 71.074 -21.118 -71.499 1.00127.33 MOLl N ATOM 3223 CA THR B 204 72.072 -21.792 -70.672 1.00127.07 MOLl C ATOM 3224 CB THR B 204 72.915 -20.775 -69.852 1.00131.21 MOLl C ATOM 3225 OG1 THR B 204 72.050 -19.947 -69.060 1.00133.18 MOLl O ATOM 3226 CG2 THR B 204 73.756 -19.902 -70.787 1.00131.27 MOLl C ATOM 3227 C THR B 204 71.500 -22.841 -69.718 1.00124.11 MOLl C ATOM 3228 O THR B 204 70.357 -22.739 -69.254 1.00125.30 MOLl O ATOM 3229 N VAL B 205 72.318 -23.854 -69.440 1.00115.10 MOLl N ATOM 3230 CA VAL B 205 71.960 -24.957 -68.553 1.00105.02 MOLl C ATOM 3231 CB VAL B 205 71.807 -26.267 -69.329 1.00 98.74 MOLl C ATOM 3232 CGI VAL B 205 70.477 -26.318 -70.020 1.00 96.87 MOLl C ATOM 3233 CG2 VAL B 205 72.917 -26.371 -70.356 1.00 94.57 MOLl C ATOM 3234 C VAL B 205 73.104 -25.154 -67.582 1,00100.78 MOLl C ATOM 3235 O VAL B 205 74.244 -25.310 -67.998 1.00 99.79 MOLl O ATOM 3236 N THR B 206 72.808 -25.153 -66.292 1.00 97.98 MOLl N ATOM- 3237 Cft THR B 206 73.856 -25.337 -65,302 1.00 95.66 MOLl C

ATOM 3238 CB THR B 206 74.294 -23.992 -64.599 1.00 93.03 MOL1 C

ATOM 3239 0G1 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 73.455 -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 MOLT 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 1.00100.43 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 ASM B 208 73.610 -27.619 -60.352 1.00 95.58 MOL1 N

ATOM 3250 CA ASH B 208 73.728 -26.957 -59.054 1.00 93.33 MOL1 C

ATOM 3251 CB ASM B 208 72.493 -26.112 -58.762 1.00101,23 MOL1 C

ATOM 3252 CG ASMS 208 72.342 -24.967 -59.729 1.00106.59 MOL1 C

ATOM 3253 OD1 ASK B 208 73.171 -24.053 -59.763 1.00108.28 MOL1 O

ATOM 3254 MD2 ASM B 208 71.284 -25.010 -60.533 1.00110.86 MOL1 N

ATOM 3255 C ASM B 208 73.920 -27.963 -57.946 1.00 89.80 MOL1 C

ATOM 3256 O ASM 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 M

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 CGI VAL B 209 76.822 -31.430 -56.224 1.00 63.09 MOL1 C

' ATOM 3251 CG2 VAL B 209 76.521 -30.788 -58.604 1.00 61.88 MOL1 C

M 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 M

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 B0.72 MOL1 G

ATOM 3267 C ALA B 210 75.682 -29.877 -52.020 1.00 80.42 MOL1 C

ATOM 3268 Ο ΑΙΑ 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 B9.17 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 73.044 -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 BIS 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 1.00102.85 MOL1 N

ATOM 3280 CD PRO B 212 74.773 -30.777 -48.572 1.00105.49 MOL1 C

ATOM 3281 CA PRO B 212 75.912 -29.629 -46.771 1.00105.91 MOL1 C

ATOM 3282 CB PRO B 212 74.529 -30.117 -46.338 1.00107.78 MOL1 C

ATOM 3283 CG PRO B 212 73.768 -30.131 -47.636 1.00108.54 MOL1 C

ATOM 3284 c PRO B 212 77.021 -30.110 -45.837 1.00106.85 MOL1 C

ATOM 32B5 O PRO B 212 77.750 -29.304 -45.265 1.00109.43 MOL1 O

ATOM 3286 N ALA B 213 77.143 -31.426 -45.691 1.00106.07 MOL1 N

ATOM 3287 CA ALA B 213 78.155 -32.025 -44.822 1.00104.23 MOL1 C

ATOM 3288 CB ALA B 213 78.274 -33.511 -45.109 1.00104.88 MOL1 C

ATOM 3289 C ALA B 213 79.522 -31.376 -44.961 1.00102.80 MOL1 C

ATOM 3290 O ALA B 213 80.322 -31.401 -44.029 1.00105.87 MOL1 O

ATOM 3291 N SER B 214 79.790 -30.806 -46.129 1,00100.89 MOL1 N

ATOM 3292 CA SER B 214 81.067 -30.154 -46.388 1.00100.65 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 1.00104.48 MOL1 C

ATOM 3296 O SER B 214 81.816 -28.009 -47.11B 1.00105.37 MOL1 O

ATOM 3297 H SER B 215 79.650 -28.208 -46.558 1.00109.71 MOL1 N

ATOM 3293 CA SER B 215 79.318 -26.810 -46.837 1.00113.22 MOL1 C

ATOM 3299 CB SER B 215 79.953 -25.881 -45.789 1.00113.27 MOL1 C

ATOM 3300 OG SERB 215 81.366 -25.857 -45.892 1,00110.37 MOL1 O

ATOM 3301 C- SERB 215 79.751 -26.371 -48.235 1.00112.71 MOL1 C

ATOM 3302 O SER B 215 79.950 -25.181 -48.487 1.00110.22 MOLl O ATOM 3303 N THR B 216 79.895 -27.339 -49.135 1.00113.28 MOLl M ATOM 3304 CA THR B 216 B0.289 -27.067 -50.515 1.00112.49 MOL1 C ATOM 3305 CB THR B 216 80.989 -28.287 -51.163 1.00116.13 MOLl C ATOM 3306 OQ1 THR B 216 81.951 -28.842 -50,256 1.00116.88 MOL1 O ATOM 3307 CS2 THR B 216 31.684 -27.868 -52,452 1,00116.06 MOLl C ATOM 3308 C THR B 216 79.026 -26.791 -51.320 1.00109.89 MOL1 C ATOM 3309 O THR B 216 77.954 -27.302 -50.988 1.00110.41 MOLl O ATOM 3310 N LYS B 217 79.150 -25.998 -52.377 1.00105.80 MOLl N ATOM 3311 CA LYS B 217 78.004 -25.675 -53.212 1,00109.45 MOLl C ATOM 3312 CB LYS B 217 77.132 -24.527 -52.599 1.00119.31 MOL1 C ATOM 3313 CG LYS B 217 76.444 -24.889 -51.289 1.00129.29 MOL1 C ATOM 3314 CD LYS B 217 75.516 -23.773 -50.775 1.00131.72 MOL1 C ATOM 3315 CE LYS B 217 74.728 -24.222 -49.533 1.00133.19 MOL1 C ATOM 3316 NZ LYS B 217 73.777 -23.188 -49.007 1.00131,75 MOL1 N ATOM 3317 C LYS B 217 78.509 -25.271 -54.576 1.00107.36 MOLl C ATOM 3318 O LYS B 217 78.557 -24.085 -54.899 1.00110.84 MOL1 O ATOM 3319 N VAL B 218 78.882 -26.265 -55.375 1,00103.91 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 CGI 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 1.00100.48 MOLl C ATOM 3324 C VAL B 218 78.379 -25.983 -57.839 1.00 98.84 MOL1 C ATOM 3325 0 VALE 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 1.00102.84 MOL1 C ATOM 3328 CB ASP B 219 77.104 -23.613 -59.998 1.00112.70 MOL1 C ATOM 3329 CG ASP B 219 78.114 -22.472 -60.101 1.00122.00 MOLl C ATOM 3330 OD1 ASP B 219 79.026 -22.396 -59.245 1.00127.83 MOLl O ATOM 3331 0D2 ASP B 219 77.989 -21.646 -61.036 1.00124.13 MOLl O ATOM 3332 C ASP B 219 78.643 -25 .211 -61.1B0 1.00100.52 MOLl C ATOM 3333 O ASP B 219 79.737 -24.661 -61,264 1.00100.80 MOLl O ATOM 3334 N LYS B 220 78.181 -26.031 -62.114 1.00 99.48 MOLl N ATOM 3335 CA LYS B 220 78.959 -26.285 -63.318 1.00102.77 MOLl C ATOM 3336 CB LYS B 220 79.492 -27.723 -63.339 1.00105.07 MOLl C ATOM 3337 CG LYS B 220 80.752 -27.941 -64.205 1.00101.06 MOLl C ATOM 3338 CD LYS B 220 82.027 -27.800 -63.364 1.00 99.44 MOLl C ATOM 3339 CE LYS B 220 83.278 -28 .285 -64.093 1.00 96.80 MOLl C ATOM 3340 NZ LYS B 220 84.404 -28.566 -63.141 1.00 91.69 MOLl N ATOM 3341 C LYS B 220 78.084 -26 .056 -64.536 1.00103.79 MOLl C ATOM 3342 O LYS B 220 77.029 -26.668 -64.682 1.00105.73 MOLl O ATOM 3343 N LYS B 221 78.530 -25.161 -65.406 1.00104.74 MOLl N ATOM 3344 CA LYS B 221 77.801 -24.838 -66,625 1.00106.44 MOLl C ATOM 3345 CB LYS B 221 78.335 -23.527 -67.230 1.00115.48 MOLl C ATOM 3346 CG LYS B 221 78.279 -22.304 -66.294 1.00127.04 MOLl C ATOM 3347 CD LYS B 221 79.219 -21.154 -66.729 1.00131.38 MOLl C ATOM 3348 CE LYS B 221 78.824 -20 .516 -68.064 1.00133.20 MOLl C ATOM 3349 NZ LYS B 221 79.750 -19.404 -68.453 1.00128.30 MOLl N ATOM 3350 C LYS B 221 78.032 -25.963 -67.617 1.00101.80 MOLl C ATOM 3351 O LYS B 221 79.152 -26.446 -67.745 1.00100.90 MOLl O ATOM 3352 N ILEB 222 76.984 -26.380 -68.319 1.00100.90 MOLl N ATOM 3353 CA ILE B 222 77.120 -27.442 -69.315 1.00 96.97 MOLl C ATOM 3354 CB ILE B 222 75.862 -28.299 -69.416 1.00 91.83 MOLl C ATOM 3355 CG2 ILE B 222 76.044 -29 .337 -70.493 1.00 89.24 MOLl C ATOM 3356 CS1 ILE B 222 75.561 -28.943 -68.064 1.00 86.37 MOLl C ATOM 3357 CD1 ILE B 222 76.703 -29.721 -57.504 1.00 85.83 MOLl C ATOM 3358 C ILE B 222 77.394 -26.851 -70.689 1.00 98.76 MOLl C ATOM 3359 O ILE B 222 76.498 -26.307 -71.341 1.00100.71 MOLl O ATOM 3360 ΚΓ VAL B 223 78.641 -26.972 -71.122 1.00 99.19 MOLl N ATOM 3361 CA VAL B 223 79.078 -26.442 -72.405 1.00 9B.35 MOLl C ATOM 3362 CB VAL B 223 80.310 -25.552 -72.218 1.00 97.77 MOLl C ATOM 3363 CGI VAL B 223 81.118 -26.030 -71.006 1.00 94.96 MOLl C ATOM 3364 CG2 VAL B 223 81.173 -25.603 -73.474 1.00 97.02 MOLl C ATOM 3365 C VAL B 223 79.460 -27.558 -73.352 1.00 98.65 MOLl C ATOM 3366 Ο VAL Β 223 30.115 -20.516 -72,951 1.00 99.88 M0L! Ο ATOM 3367 Η PRO Β 224 79.073 -27.437 -74.629 1.00 96.92 MOL1 Ν

ATOM 3366 CD PRO B 224 78.286 -26.316 -75.161 1.00 94.90 MOL1 C

ATOM 3369 CA PROS 224 79.354 -28.421 -75.683 1,00104.37 MOL1 C

ATOM 3370 CB PRO B 224 78.488 -27.942 -7S.842 1.00 96.75 MOL1 C

ATOM 3371 CG PRO B 224 78.489 -25,467 -75.654 1.00 95.48 MOL1 C

ATOM 3372 C PRO B 224 80.832 -28.541 -76.067 1.00111.20 MOL1 C

ATOM 3373 0 PRO B 224 81.690 -27.S47 -75,519 1.00111.75 MOL1 Q

ATOM 3374 N ABG B 225 81.114 -29.439 -77.007 1,00118.08 MODI N

ATM 3375 CA ARG B 225 82.473 -29.677 -77.486 1.00124.84 MQL1 C

ATOM 3376 C3 ARG B 22S 82.742 -31.177 -77.550 1.00122.51 MOL1 C

ATOM 3377 CG ARG B 225 62.489 -31.912 -76.239 1.00119.75 MOL1 C

ATOM 3378 CD ARG B 225 82.337 -33.422 -76.457 1,00116.39 S4QL1 C

ATM 3379 HE ARG B 225 82.076 -34.224 -75.205 1.00111.70 MOL1 H

ATOM 3380 CZ ARG B 225 83.001 -34.3S3 -74.287 1.00112.50 MODI C

ATOM 3381 HH1 ARG B 225 82.661 -35.029 -73.173 1.00114.12 MOL1 N

ATOM 3382 NH2 ARG B 225 84.267 -34.045 -74.490 1.00109.27 MOL1 N

ATOM 3383 C ARG B 225 82.613 -29.069 -78.878 1.00133.06 MOL1 C

ATM 3384 a ARG B 225 81.621 -28.913 -79.594 1.00135.73 MGL1 O

ATOM 3385 N ASP B 226 B3.840 -28.738 -79.269 1.C0140.S2 MOL1 H

ATOM 3386 CA ASP B 226 B4.067 -28.226 -80.575 1.00149.72 MOL1 C

ATOM 3387 C3 ASP B 226 85.360 -27,296 -80.554 1.00145.64 MGL1 C

ATM 3388 CG ASP B 226 85.149 -25.893 -79.984 1,00142.50 MOL1 C

ATOM 3389 OD1 ASP B 226 86.143 -25.150 -79.854 1.00139.30 MGL1 O M ATOM 3390 OD2 ASP B 226 83.992 -25.527 -79.671 1.00137.82 MOL2 0

ATOM 3391 C ASP B 226 84.065 -29.0B2 -81.776 1.00155.68 MOL1 C

ATOM 3392 O ASP B 226 82.997 -29.481 -82.250 1.00156.17 KOL1 G

ATOM 3393 N CYS B 227 85.248 -29.438 -82.274 1.00162.72 MOL1 W

ATOM 3394 CA CYS B 227 85.352 -30.325 -83.435 1.00168.19 MOL1 C

ATOM 3395 CB CYS B 227 85.735 -A0.162 -84.109 1,00171.79 MOL1 C

ATOM 3396 SG CYS B 227 88.179 -31.014 -83.367 1.00175.Ξ8 MOL1 S

ATOM 3397 C CYS B 227 85.079 -31.797 -83.104 1.D0169.02 MOL1 C

ATOM 3398 O CYS 3 227 84.756 -32.089 -81.930 1.00168.83 MGL1 Q

ATOM 3399 OXT CYS B 227 85.171 -32.640 -S4.026 1.00169.12 MOL1 O

ATOM 3400 CB GUJF IE 22.974 -19,456 -42.886 1.00149.67 MQL1 C

ATOM 3401 CS GUI F 15 22.375 -19.287 -41.505 1.00144.07 MGL1 C

ATOM 3402 CD GUI F 15 21.496 -20.457 -41.117 1.C0141.32 MGL1 C ATOM 3403 031 GUI F 15 22,037 -21.457 -40.599 1.00139.31 MQL1 0

ATOM 3404 032 GUI F 15 20.271 -20.383 -41.342 1,00136.53 MDL1 O

ATOM 3405 C GUI F 15 21.960 -17,725 -44.377 1.00155.87 MQL1 C

ATOM 3406 O GUI F 15 22,161 -17.366 -45.S39 1.00156.62 MQL1 O

ATOM 3407 N GUI F 15 22.347 -20.014 -45.220 1.00152.69 MOL1 N

ATOM 3408 CA GUI F 15 21.974 -19.212 -44,016 1.C0153.60 MOL1 C

ATOM 3409 W SER F 16 21.731 -15.865 -43,304 1.00157.81 MOL1 N

ATOM 3410 CA SER F 16 21.685 -15.421 -43.619 1.0015B.62 MDL1 C

ATOM 3411 CB SER F 16 20.704 -15.094 -44.752 1.00156.06 MODI C

ATOM 3412 OS SER F 16 19.358 -15.219 -44,325 1.00151.69 KOL1 O

ATOM 3413 C SER F 16 21.286 -14.514 -42.382 1.00161.17 MOL1 C

ATOM 3414 O SER F 16 21.4B6 -13.4Q4 -42,334 1.00162.33 MODI O

ATOM 3415 N CYS F 17 20.720 -15.285 -41.386 1.00163.62 MOL1 H

ATOM 3416 CA CYS F 17 20.282 -14.628 -40.154 1.00164.31 MOL1 C

ATOM 3417 C CYS F 17 21.380 -13.767 -39.528 1.C0165.32 MOL1 C

ATOM 3418 O CYS W 11 22.566 -13.976 -39.785 1.00164.46 HQL1 O

ATOM 3419 CB CYS F 17 19.845 -15,681 -39.140 1,00162.75 MOL1 C

ATOM 3420 SG CYS F 17 19.205 -17.206 -39.897 1.00160.53 MOItl S ATOM 3421 N PRO F 18 20.987 -12.782 -38,698 1.00166.83 MOL1 Kf ATOM 3422 CD PRO F IS 19.585 -12.387 -38.472 1.00165.88 KOLX Ç

ATOM 3423 CA PRO F 18 21.903 -11.865 -38.006 1.00167.SB MOL1 C

ATOM 3424 CB PRO F 18 20.957 -10.992 -37.185 1.00166.11 MOL! C

ATOM 3425 CG PRO F 18 19.725 -10.947 -38.036 1.00166.04 MOLl C

ATOM 3426 C PRO F 18 22.880 -12.636 -37,122 1,00169.16 KOL1 Q

ATOM 3427 0 PRO F 18 22.543 -13.037 -36.003 1,00167,54 MOLl O

ATOM 3428 N FRQ F 19 24.111 -12.837 -37,611 1.00172.45 KOL1 N

ATO» 3429 CD FRO F 19 24.560 -12.245 -3F.87S 1.00172.44 MOL1 C

ATOM 3430 CA PRO F 19 25.202 -13.555 -36.940 1.00175.OS MOL1 c ATOM 3431 CB PRO F 19 26.425 -13.162 -37.769 1.00X74.52 MOL1 C ATOM 3432 CG PRO F 19 25.850 -13.024 -39.149 1.00173.92 MOL1 C ATOM 3433 C PRO F 19 25.402 -13.286 -35.441 1.00176.12 MOL1 C ATOM 3434 O PRO F 19 24.737 -12.436 -34.841 1,00174.47 MOL1 O ATOM 3435 M VAL F 20 26.322 -14.041 -34.848 1.00177.57 MOL1 N ATOM 3436 CA VAL F 20 26.659 -13.908 -33.437 1.00178.58 MOL1 C ATOM 3437 CB VAL F 20 26.466 -15.253 -32.686 1.00178.29 MOL1 C ATOM 3438 CGI VAL F 20 24.982 -15.571 -32.574 1.00176.76 M0L1 C ATOM 3439 CG2 VAL F 20 27.191 -16.378 -33.420 1.00176.99 M0L1 C ATOM 3440 C VAL F 20 28.119 -13.451 -33.346 1.001B0.71 MOL1 C ATOM 3441 O VAL F 20 28.845 -13,480 -34.346 1.00181.31 MOL1 O ATOM 3442 N PRO F 21 28.566 -13.008 -32.155 1.00182.04 MOL1 N ATOM 3443 CD PRO F 21 27.795 -12.900 -30.899 1.00182.08 MOL1 C ATOM 3444 CA PRO F 21 29.946 -12.545 -31.957 1.00181.92 MOL1 C ATOM 3445 CB PRO F 21 30.098 -12,597 -30.440 1.00181.19 MOL1 C ATOM 3446 CG PRO F 21 28.743 -12.119 -29.987 1.00180.80 MOL1 C ATOM 3447 C PRO F 21 31.028 -13.345 -32.703 1.00181.93 MOL1 C ATOM 3448 O PRO F 21 31.999 -12.769 -33.202 1.00180.80 MOL1 O ATOM 3449 N GLY F 22 30.860 -14.663 -32.780 1.00182.34 MOL1 N ATOM 3450 CA GLY F 22 31.831 -15.486 -33.484 1.00181.41 MOL1 C ATOM 3451 C GLY F 22 32.213 -16.792 -32.806 1.00180.52 MOL1 C ATOM 3452 O GLY F 22 32.647 -16,800 -31.651 1.00181.38 MOL1 O ATOM 3453 N GLY F 23 32.055 -17.900 -33.530 1.00173.22 MOL1 N ATOM 3454 CA GLY F 23 32.400 -19.208 -32.995 1.00174.34 M0L1 C ATOM 3455 C GLY F 23 31.603 -19.638 -31.775 1.00171.67 MOL1 C ATOM 3456 O GLY F 23 32.174 -19.920 -30.718 1.00170.67 MOL1 0 ATOM 3457 N SER F 24 30.281 -19.692 -31.920 1.00168.80 MOL1 H ATOM 3458 CA S3R F 24 29.402 -20.095 -30.825 1.00164.63 MOL1 C ATOM 3459 CB SER F 24 29.323 -18.982 -29.772 1.00165.56 MOL1 C ATOM 3460 OG SER F 24 28.530 -19.374 -28.662 1.00164.93 MOL1 O ATOM 3461 C SER F 24 28.001 -20,419 -31.345 1.00160.92 MOL1 C ATOM 3462 O SER F 24 27.533 -19.812 -32.314 1.00160.03 MOL1 O ATOM 3463 N MET F 25 27.340 -21.378 -30.696 1.00155.68 MOL1 N ATOM 3464 CA MET F 25 25.992 -21.790 -31.083 1.00140.45 MOL1 C ATOM 3465 CB MET F 25 26.061 -23.054 -31.949 1.00148.69 MOL1 C ATOM 3466 CG MET F 25 24.964 -23.169 -33.015 1.00149.35 MOL1 C ATOM 3467 SD MET F 25 25.375 -22.436 -34.533 1.00149.53 MOL1 S ATOM 3468 CE MET F 25 25.741 -23.915 -35.642 1.00145.96 MOL1 C ATOM 3469 C MET F 25 25.141 -22.048 -29.829 1.00143.51 MOL1 C ATOM 3470 O MET F 25 25.672 -22.140 -28.717 1.00140.73 MOL1 O ATOM 3471 N LYS F 26 23.826 -22.158 -30.013 1.00138.19 MOL1 N ATOM 3472 CA LYS F 26 22.907 -22.392 -28.897 1,00134.01 M0L1 C ATOM 3473 CB LYS F 26 21.479 -21.964 -29.270 1.00133.72 MOL1 C ATOM 3474 CG LYS F 26 21.216 -20.465 -29.159 1.00133.94 MOL1 C ATOM 3475 CD LYS F 26 19.764 -20.106 -29.491 1.00134.50 MOL1 C ATOM 3476 CE LYS F 26 18.769 -20.636 -28.457 1.00134.34 MOL1 C ATOM 3477 NZ LYS F 26 18.842 -19.931 -27.142 1.00135.55 MOL1 N ATOM 3478 C LYS F 26 22.879 -23.833 -28.398 1.00129.94 MOL1 C ATOM 3479 0 LYS F 26 22.459 -24.746 -29.111 1.00130.92 MOL1 O ATOM 3480 N LEU F 27 23.316 -24.026 -27.158 1.00123.18 MOL1 H ATOM 3481 CA LEU F 27 23.334 -25.345 -26.546 1.00117.71 MOL1 C ATOM 3482 CB LEU F 27 24.752 -25.718 -26.127 1.00108.77 MOL1 C ATOM 3483 CG LEU F 27 24.900 -27.123 -25.551 1.00102.45 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 1.00118.97 MOL1 C ATOM 3487 O LEU F 27 22.865 -24.923 -24.246 1.00119.24 MOL1 O ATOM 3488 N ASP F 28 21.215 -25.821 -25.471 1.00122.32 MODI N ATOM 3489 CA ASP F 28 20.278 -25.862 -24.358 1.00125.99 MOL1 C ATOM 3490 CB ASP F 28 18.937 -26.448 -24.807 1.00129.38 MOL1 C ATOM 3491 CG ASP F 28 18.465 -25.880 -26.135 1.00135.42 MOL1 C ATOM 3492 OD1 ASP F 28 18.844 -24.734 -26.458 1.00137.40 MOL1 O ATOM 34 93 002 ASP F 28 17.707 - 26.573 -26.852 1.00136.01 MODI O

ATOM 3494 C ASP F 28 20.820 -26.889 -23.201 1.00128.20 MOL1 C

ATOM 3495 0 ASP F 28 21.489 -27.702 -23.401 1.00127.44 MOL1 O

ATOM 3496 N ILE F 29 20.532 -26.238 -21.985 1.00132.62 MOL1 ST

ATOM 3497 CA ILE F 29 20.962 -26.933 -20.776 1.00133.08 MOLl C

ATOM 3498 CB ILE F 29 20,752 -26.077 -19,507 1.00132.47 MOLl C

ATOM 3499 CG2 ILE F 29 21.747 -24,935 -19.472 1,00134.02 MOLl C

ATOM 3500 CGI ILE F 29 19.305 -25.575 -19.461 1.00131.56 MOLl C

ATOM 3501 CD1 ILE F 29 19.011 -24.625 -18.323 1.00131.84 MOLl C

ATOM 3502 C ILE F 29 20.094 -28.163 -20.625 1.00132.87 MOLl C

ATOM 3503 O ILE F 29 19.048 -28.282 -21.271 1,00132.86 MOLl O

ATOM 3504 N GLY F 30 20.520 -29.071 -19.757 1.00131.60 MOLl N

ATOM 3505 CA GLY F 30 19.751 -30.278 -19.537 1.00129.89 MOLl C

ATOM 3506 C GLY F 30 20.037 -31.345 -20.571 1.00126.50 MOLl C ATOM 3507 0 GLY F 30 19.802 -31.158 -21.767 1.00128.12 MOLl 0

ATOM 3508 N ILE F 31 20.543 -32.475 -20.098 1.00121.94 MOLl N

ATOM 3509 CA ILE F 31 20,871 -33.590 -20.964 1.00117.12 MOLl C

ATOM 3510 CB ILE F 31 22.120 -34.327 -20.471 1.00115.73 MOLl C

ATOM 3511 CG2 ILE F 31 22.518 -35.373 -21.478 1.00114.88 MOLl C

ATOM 3512 CGI ILE F 31 23.265 -33,339 -20.237 1.00116.43 MOLl C

ATOM 3513 CD1 ILE F 32 23.121 -32.490 -18.975 1.00120.44 MOLl C

ATOM 3514 C ILE F 31 19.720 -34.582 -20.981 1.00116.73 MOLl C

ATOM 3515 O ILE F 31 19.209 -34.967 -19.931 1.00116.15 MOLl O

ATOM 3516 N ILE F 32 19,317 -34.994 -22.176 1.00118.68 MOLl N

ATOM 3517 CA ILE F 32 13.226 -35.949 -22.329 1.00123.20 MOLl C

W ATOM 3518 CE ILE F 32 17.780 -36.044 -23.805 1.00123.36 MOLl C

ATOM 3519 CG2 ILE F 32 16.553 -36.940 -23.922 1.00122.71 MOLl C

ATOM 3520 CGI ILE F 32 17.480 -34.644 -24.349 1.00122.75 MOLl C

ATOM 3521 CD1 ILE F 32 16.994 -34.637 -25.786 1.00123.21 MOLl C

ATOM 3522 C ILE F 32 18.640 -37.346 -21.856 1.00127,61 MOLl C

ATOM 3523 O ILE F 32 19.633 -37.899 -22.333 1.00129.87 MOLl O

ATOM 3524 N ASK F 33 17.875 -37.904 -20.917 1.Q0132.09 MOLl N

ATOM 3525 CA ASN F 33 18.128 -39.239 -20,362 1.00136.09 MOLl C

ATOM 3526 CB ASK F 33 18.367 -40.248 -21.490 1.00137.26 MOLl C

ATOM 3527 CG ASN F 33 17.174 -40.378 -22.422 1.00141.15 MOLl C

ATOM 3528 OD1 ASN F 33 16.113 -40.861 -22.025 1.00144.19 MOLl O

ATOM 3529 ND2ASNF 33 17.340 -39.940 -23.657 1.00141.99 MOLl N

ATOM 3530 C ASK F 33 19.297 -39.289 -19.379 1.00139.95 MOLl C

ATOM 3531 O ASN F 33 19.952 -40.319 -19.241 1.00140,54 MOLl O

ATOM 3532 N GLU F 34 19.550 -38.177 -18.694 1.00145.31 MOLl N

ATOM 3533 CA GLU F 34 20.638 -38.089 -17.720 1.00150.17 MOLl C

ATOM 3534 CB GLU F 34 20.604 -36.710 -17.049 1.00152.50 MOLl C

ATOM 3535 CG GLU F 34 21.625 -36.504 -15.937 1.00155.37 MOLl C

ATOM 3536 CD GLU F 34 21.432 -35.184 -15.207 1.00155.48 MOLl C

ATOM 3537 OE1 GLU F 34 21.490 -34.124 -15.868 1.00155.20 MOLl O

ATOM 3538 OE2 GLU F 34 21.224 -35.208 -13.972 1.00153.96 MOLl O

ATOM 3539 C GLU F 34 20.514 -39.185 -16.659 1.00153.34 MOLl C

ATOM 3540 O GLU F 34 21.434 -39.414 -15.871 1.00152.98 MOLl O

ATOM 3541 M ASN F 35 19.368 -39.863 -16.660 1.00159.41 MOLl N

ATOM 3542 CA ASN F 35 19.062 -40.925 -15.702 1.00165.02 MOLl C

ATOM 3543 CB ASN F 35 17.544 -41.041 -15.518 1.00167.52 MOLl C

ATOM 3544 CG ASN F 35 16.895 -39.730 -15.128 1.00169.43 MOLl C

ATOM 3545 OD1 ASN F 35 17.154 -39.189 -14.052 1.00171.02 MOLl O

ATOM 3546 ND2 ASN F 35 16.041 -39,213 -16.006 1.00168.39 MOLl N

ATOM 3547 C ASN F 35 19.592 -42.311 -16.072 1.00167.21 MOLl C

ATOM 3548 O ASN F 35 19.730 -43.169 -15.200 1.00168.76 MOLl O

ATOM 3549 M GLN F 36 19.853 -42.546 -17.357 1.00169.24 MOLl N

ATOM 3550 CA GLN F 36 20.358 -43.848 -17.798 1.00170.44 MOLl C

ATOM 3551 CB GLN F 36 20.719 -43.814 -19.287 1.00170.00 MOLl C

ATOM 3552 CG GLN F 36 19.540 -44.006 -20.228 1.00166.49 MOLl C

ATOM 3553 CD GLN F 36 18.973 -45.412 -20.175 1.00164.75 MOLl C

ATOM 3554 OE1 GLN F 36 18.015 -45.732 -20.878 1.00163.00 MOLl O

ATOM 3555 NE2 GLN F 36 19.565 -46.261 -19.340 1.00165.04 MOLl N

ATOM 3556 C GLN F 36 21.582 -44.240 -16.984 1.00173.14 MOLl C

ATOM 3557 O GLN F 36 22.631 -43.591 -17.069 1.00171.50 MOLl O

ATOM 3558 N ARG P 37 21.443 -45.30B -16.200 1,00176.32 MOL1 N ATOM 3553 CA ARG F 37 22.527 -45.7B0 -15.342 1,00179.91 MOL1 C ATOM 3560 CB ARG F 37 21.968 -46.662 -14.213 1.00179.37 MOL1 C ATOM 3561 CG ARG F 37 20.B9B -45.987 -13.352 1.00177-94 MOL1 C ATOM 3562 CD ARG F 37 20.879 -46.550 -11.938 1.00175.90 MOÍ.1 C ATOM 3563 NE ARG F 37 22.089 -46.191 -11.204 1.00175.74 MOL1 N ATOM 3564 CZ ARG F 37 22.415 -44.947 -10.859 1.00175.03 MOL1 C ATOM 3565 NH1 ARG F 37 21,618 -43.936 -11.177 1.00173.00 MODI ST ATOM 3566 NH2 ARG F 37 23.541 -44.714 -10.199 1.00174.73 MOL1 N ATOM 3567 C ARG F 37 23.633 -46.533 -16.079 1.00180.73 MOL1 C ATOM 3568 O ARG F 37 23.379 -47.259 -17.047 1.00179.26 MOL1 O ATOM 3569 N VAli F 38 24.861 -46.337 -15.597 1.00182.74 MOL1 N ATOM 3570 CA VAL F 38 26.063 -46.966 -16.144 1,00183.52 M0L1 C ATOM 3571 CB VAL F 38 27.300 -46.666 -15.240 1.00183.75 M0L1 C ATOM 3572 CGI VAL F 38 28.542 -47.351 -15.794 1.00184.08 MOL1 C ATOM 3573 CG2 VAL F 38 27.521 -45.161 -15.132 1.00181.36 MOL1 C ATOM 3574 C VAL F 38 25.878 -48.481 -16.224 1.00183.05 MOL1 C ATOM 3575 O VAL F 38 26.238 -49.208 -15.313 1.00182.81 MOL1 O ATOM 3576 H SER F 39 25.265 -48.955 -17,307 1.00180.94 MOL.l N ATOM 3577 CA SER F 39 25.036 -50,387 -17.470 1.00178.69 MOL1 C ATOM 3578 CB SER F 39 24.145 -50.659 -18.685 1.00178.07 MOL1 C ATOM 3Ξ79 OG SER F 39 23.836 -52.041 -18.782 1.00174.85 MOL1 O ATOM 3580 C SER F 39 26.357 -51.134 -17.619 1.00177.48 MOL1 C ATOM 3501 O SER F 39 26.859 -51.330 -18.728 1.00176.69 MOL1 O ATOM 3582 N MET F 40 26.912 -51.548 -16.483 1.00175.26 MOL1 N ATOM 3583 CA MET F 40 28.174 -52.271 -16.457 1.00170.51 MOL1 C ATOM 3584 CB MET F 40 29.294 -51.325 -16.004 1.00173.33 MOL1 C ATOM 3585 CG MET F 40 30.706 -51.782 -16.345 1.00175.64 MOL1 C ATOM 3586 SD MET F 40 31.936 -50,475 -16.064 1.00176.59 MOL1 S ATOM 3587 CE MET F 40 31.861 -49.599 -17.635 1.00173.87 MOL1 C ATOM 3588 C MET F 40 28.053 -53.455 -15.499 1.00165.12 MOL1 C ATOM 3589 O MET F 40 28.501 -53.381 -14.354 1.00163.85 MOL1 O ATOM 3530 N SER F 41 27.421 -54.532 -15.967 1.00158.82 MOL1 N ATOM 3591 CA SER F 41 27.256 -55.735 -15.153 1.00152.76 MOL1 C ATOM 3592 CB SER F 41 26.658 -56.879 -15.983 1.00150.88 MOL1 C ATOM 3593 OG SER F 41 25.380 -56.542 -16.494 1.00146.30 MOL1 O ATOM 3594 C SER F 41 28.652 -56.114 -14,680 1.00149.80 MOL1 C ATOM 3595 O SER F 41 29.417 -56.745 -15.407 1.00149.13 MOL1 O ATOM 3596 N ARG F 42 2B.977 -55.714 -13.458 1.00145.39 MOL1 N ATOM 3597 CA ARG F 42 30.292 -55.964 -12.890 1.00139.25 MOL1 C ATOM 3598 CB ARG F 42 30.286 -55.570 -11.410 1.00141.33 MOL1 C ATOM 3599 CG ARG ? 42 29.458 -54.316 -11.126 1.00144.63 MOL1 C ATOM 3600 CD ARG F 42 29.711 -53.788 -9.723 1.00150.26 MOL1 C ATOM 3601 NE ARG F 42 30.999 -53.107 -9.610 1.00155.68 MOL1 N ATOM 3602 CZ ARG F 42 31.301 -51.968 -10.229 1.00156.48 MOL1 C ATOM 3603 NH1 ARG F 42 30.404 -51.376 -11.009 1.00157.71 MOL1 N ATOM 3604 NH2 ARG F 42 32.49Θ -51.419 -10.068 1.00154.00 MOL1 N ATOM 3605 C ARG F 42 30.813 -57.392 -13.050 1.00133.09 MOL1 C ATOM 3606 O ARG F 42 30.045 -58.356 -13.162 1.00131.03 MOL1 O ATOM 3607 N ASN F 43 32.139 -57.496 -13.089 1.00126.61 MOL1 N ATOM 3608 CA ASN F 43 32.849 -58.769 -13.192 1.00119.43 MOL1 C ATOM 3609 CB ASN F 43 32.486 -59.648 -11.990 1.00126.89 MOL1 C ATOM 3610 CG ASN F 43 32.751 -58.959 -10.661 1.00132.70 MOL1 C ATOM 3611 OD1 ASN F 43 32.121 -57.947 -10.334 1.00134.91 MOL1 O ATOM 3612 ND2 ASN F 43 33.69D -59.503 -9.887 1.00135.04 MOL1 N ATOM 3613 C ASN F 43 32.713 -59.604 -14.468 1.00109.71 MOL1 C ATOM 3614 O ASN F 43 33.448 -60.582 -14.636 1.00105.52 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 B7.58 MOL1 C ATOM 3619 CGI 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 M0L1 C ATOM 3621 C ILE F 44 32.921 -59.860 -17,416 1.00 79.76 MOL1 C

ATOM 3622 O IDE F 44 33.205 -60.630 -18.328 1.00 74.80 MOLl O

ATOM 3623 N GLU F 45 33.672 -58.817 -17.089 1.00 76.85 MOLl N

ATOM 3624 CA GLU F 45 34.911 -58.545 -17.784 1.00 75.75 MOLl C

ATOM 3625 CE GLU F 45 35.521 -57.218 -17.323 1.00 77.64 MOLl C

ATOM 3626 CG GLU F 45 35.481 -56.970 -15.822 1,00 79.53 MOLl 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 8B.06 MOL1 O

ATOM 3630 C GLU F 45 35. Β6Θ -59.674 -17.454 1.00 76.46 MOLl C

ATOM 3631 O GLU F 45 36.396 -59.834 -18.098 1.00 78.53 M0L1 O

ATOM 3632 H SEE 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.B7 MOL1 C

ATOM 3634 CB SER F 46 36.734 -61.432 -14.561 1.00 85.43 MOLl 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 2B.313 -63.551 -15.754 1.00 71.40 MOL1 C

ATOM 3645 HH1 ARG F 47 28.080 -62.397 -15.128 1.00 69.35 MOL1 N

ι'Ί ATOM 3645 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 H 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.S55 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 MODI C

ATOM 3654 O SER F 48 35.443 -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 W

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 MGL1 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 0

ATOM 3662 N SER F 50 37.055 -64.162 -23.246 1.00 54.40 MODI 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 0

ATOM 3668 N PRO F 51 38.544 -62.229 -21.594 1.00 50.16 MOL1 N

ATOM 3669 CD PRO F 51 39.2B4 -63.474 -21.372 1.00 45.51 MOLl C

ATOM 3670 CA PRO F 51 38.675 -61.335 -20.435 1.00 50.86 MOLl C

ATOM 3671 CB PRO F 51 39.525 -62.151 -19.476 1.00 50.48 MOLl C

ATOM 3672 CG PRO F 51 39.255 -63.563 -19.899 1.00 53.81 MODI C

ATOM 3673 C PRO F 51 39.339 -6D.004 -20.780 1.00 51.50 MOLl C

ATOM 3674 O PRO F 51 40.097 -59.920 -21.738 1.00 54.86 MOLl O

ATOM 3675 N TRP F 52 39.087 -Ξ8.97Β -19.978 1.00 47.99 MOLl H

ATOM 3676 CA TRP F 52 39.646 -57.673 -20.254 1.00 46.10 MOLl C

ATOM 3677 CB TRP F 52 38.815 -57.031 -21.366 1.00 46.29 MOLl C

ATOM 367B CG TRP F 52 37.361 -56.685 -21.016 1.00 45.96 MOLl C

ATOM 3679 CD2 TRP F 52 36.166 -57.345 -21.485 1.00 42.76 MOLl C

ATOM 3SS0 CE2 TRP F 52 35.061 -56.624 -20.980 1.00 39.10 MOLl C

ATOM 3681 CE3 TRP F 52 35.924 -58.471 -22.281 1.00 46.96 MOLl C

ATOM 3682 CD1 TRP F 52 36.930 -55.626 -20.264 1.00 42.72 MOLl C

ATOM 3683 NE1 TRP F 52 35.555 -55.5B0 -20.245 1.00 37.06 MOLl FT

ATOM 3684 CZ2 TRP F 52 33.731 -56.996 -21.243 1.00 40.09 MOLl C

ATOM 3685 C23 TRP F 52 34.581 -58.848 -22.545 1.00 44.34 MOLl C

ATOM 3666 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 -55.94S -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 MOLIO 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 36.754 -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 MOLil 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 FT 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 -17.945 1.00 76,93 MOIil C ATOM 3712 031 THR F 55 42.509 -49.447 -18.591 1.00 81.50 M0L1 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 M0L1 C ATOM 3718 CB VAL F 56 38.452 -45.142 -14.632 1.00 73.26 MOL1 C ATOM 3719 CGI 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 7B.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 -41.5B7 -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 79.6S MOL1 C ATOM 3728 0 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 MQL1 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 5B 37.832 -36.661 -11.892 1.00 92.81 MOL1 C ATOM 3735 CE2 TRP E 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 H 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 M0L1 C ATOM 3742 C TRP F 58 39.304 -37.233 -15.005 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 3745 C3 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.ΞΘ0 -34.221 -15.648 1.00 74.69 MOLl C

ATOM 3751 o ASP F 59 36.504 -34.332 -16.247 1.00 74.80 MOLl O ATOM 3752 N PRO F 60 37.768 -33.335 -14.664 1.00 7B.98 MOLl ΚΓ

ATOM 3753 CD PRO F 60 38.998 -33.204 -13.869 1.00 79.46 MOLl C

ATOM 3754 CA PRO F 60 36 .738 -32.415 -14.178 1.00 80.65 MOLl C

ATOM 3755 CB PRO F 60 37.440 -31.694 -13.026 1.00 80.21 MOLl C

ATOM 3756 CG PRO F 60 38.836 -31.799 -13.3B1 1.00 80.21 MOLl C

ATOM 3757 C PRO F 60 36.164 -31.457 -15.233 1.00 81.09 MOLl C

ATOM 3758 O PRO F 60 35.046 -30.951 -15.067 1.00 83.18 MODI O

ATOM 3759 N ASM F 61 36.912 -31.217 -16.309 1.00 76.42 MOLl N

ATOM 3760 CA ASN F 61 36.438 -30.336 -17.372 1.00 78.59 MOLl C

ATOM 3761 CB ASM F 61 37.543 -29.386 -17.828 1.00 90.58 MOLl C

ATOM 3762 CG ASN F 61 37.940 -28.403 -16.750 1.00103.85 MOLl C ATOM 3763 OD1 ASN F 61 37.083 -27,799 -16.097 1.00106.74 MOLl 0

ATOM 3764 ND2 ASN F 61 39.246 -28.226 -16-559 1.00111.58 MOLl N

ATOM 3765 C ASN F 61 35.966 -31.145 -18,558 1.00 74.54 MOLl C

ATOM 3766 O ASN F 61 36.094 -30.719 -19.705 1.00 73.22 MOLl O

ATOM 3767 N ARG F 62 35.410 -32.313 -18.275 1.00 72.69 MOLl N

ATOM 3768 CA ARG F 62 34.933 -33.189 -19.328 1.00 72.28 MOLl C

ATOM 376 9 CB ARG F 62 36.011 -34.227 -19.647 1.00 71.86 MOLl C

ATOM 3770 CG ARG F 62 35.657 -35.181 -20.775 1.00 73.66 MOLl C

ATOM 3771 CD ARG F 62 36.784 -36.174 -21.045 1.00 70.50 MOLl C

ATOM 3772 NE ARG F 62 37.021 -37.058 -19.909 1.00 63.47 MOLl N

M ATOM 3773 CS ARG F 62 37.876 -38.076 -19.922 1.00 52.97 MOLl C

ATOM 3774 NH1 ARG F 62 38.580 -38.337 -21.017 1.00 67.00 MOLl N

ATOM 3775 NH2 ARG F 62 38.017 -38.843 -18.849 1.00 58.63 MOLl N

ATOM 3775 C ARG F 62 33.653 -33.897 -18.917 1.00 72.52 MOLl C

ATOM 3777 O ARG F 62 33.569 -34.453 -17.820 1.00 74.93 MOLl O

ATOM 3773 N TYR F 63 32.648 -33.868 -19.785 1.00 68.99 MOLl N

ATOM 3779 CA TYR F 63 31,416 -34,567 -19,477 1.00 66.19 MOLl C

ATOM 3780 CB TYR F 63 30.227 -33.630 -19,378 1.00 74.78 MOLl C

ATOM 37B1 CG TYR F 63 28.946 -34.400 -19.155 1.00 81.35 MOLl C

ATOM 3782 CD1 TYR F 63 27.948 -34.430 -20.117 1.00 83.49 MOLl C

ATOM 3783 CE1 TYR F 63 26.796 -35.179 -19.930 1.00 88.75 MOLl C

ATOM 3784 CD2 TYR F 63 28.759 -35.137 -17.994 1.00 87.18 MOLl C

ATOM 3785 CE2 TYR F 63 27.614 -35.889 -17.795 1.00 92.81 MOLl C

ATOM 3786 C3 TYR F 63 26.636 -35.908 -18.766 1.00 92.83 MOLl C

ATOM 3787 OH TYR F 63 25.506 -36.673 -18.569 1.00 96.03 MOLl O

ATOM 3788 C TYR F 63 31,130 -35.575 -20.552 1,00 63.85 MOLl C

ATOM 3789 O TYR F 63 31.003 -35,223 -21,725 1.00 67.96 MOLl O

ATOM 3790 N PRO F 64 31.055 -36.853 -20.171 1.00 58.19 MOLl N

ATOM 3791 CD PRO F 64 30.733 -37.996 -21.039 1.00 62.74 MOLl C

ATOM 3792 CA PRO F 64 31.237 -37.303 -18.798 1.00 57.91 MOLl C

ATOM 3793 CB PRO F 64 30.807 -38.758 -18.859 1.00 66.16 MOLl C

ATOM 3794 CG PRO F 64 31.243 -39.160 -20.219 1.00 63. B3 MOLl C

ATOM 3795 C PRO F 6.4 32.668 -37.167 -18.319 1.00 60.20 MOLl C

ATOM 3796 O PRO F 64 33.603 -37.219 -19.107 1.00 55.01 MOLl O

ATOM 3797 N . SER F 65 32.817 -37.015 -17.008 1.00 66.64 MOLl N

ATOM 3793 CA SER F 65 34.111 -36.862 -16.349 1.00 66.34 MOLl C

ATOM 3799 CB SER F 65 33.875 -36.451 -14.907 1.00 75.37 MOLl C

ATOM 3800 OG SER F 65 32.951 -37.347 -14.296 1.00 92,37 MOLl O

ATOM 3801 C SER F 65 34.950 -38.137 -16.375 1.00 63.39 MOLl C

ATOM 3802 O SER F 65 36.153 -38.086 -16.623 1.00 65.34 MOLl O

ATOM 3803 N GLU F 66 34.324 -39.276 -16.090 1.00 58.70 MOLl N

ATOM 3804 CA GLU F 66 35.033 -40.551 -16.106 1.00 60.70 MOLl C

ATOM 3805 CB GLU F 66 34.458 -41.543 -15.073 1.00 69.86 MOLl C

ATOM 3806 CG GLU F 66 34.83B -41.313 -13.593 1.00 97.36 MOLl C

ATOM 3807 CD GLU F 66 33.864 -40.401 -12.812 1.00111.30 MOLl C

ATOM 3803 OE1 GLU F 66 34.168 -40.083 -11.635 1.00113.19 MOLl O

ATOM 3809 OE2 GLU F 66 32.802 -40.008 -13.357 1.00118.22 MOLl O

ATOM 3810 C GLU F 66 34.898 -41.177 -17.406 1.00 61.75 MOLl C

ATOM 3811 O GLU F 66 33.811 -41.182 -18.070 1.00 65.70 MOLl O

ATOM 3812 N VAL F 67 36.005 -41.684 -18,020 1-00 59.43 MOLl N

ATOM 3813 CA VAL P 67 35.980 -42.357 -19.315 1.00 54.35 MOLl C

ATOM 3814 CB VAL F 67 36.684 -41.569 -20.407 1.00 47.87 MOL1 C ATOM 3815 CGI 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 CGI VAL F 6B 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 0 VAL F 6B 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 0S1 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. B2 MOL1 C ATOM 3834 0 GLN F 69 39.650 -49.548 -20.096 1.00 51.37 MOL1 0 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 ΞΞ.45 M0L1 N ATOM 3841 CA GLN F 71 42.067 -53.859 -22.690 1.00 51.57 MOLX 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 0 ATOM 3846 NE2 GLN F 71 44.751 -51.590 -19.512 1.00 98.59 MOL1 N ATOM 3847 C GLN F 71 42.03D -55.376 -22.649 1.00 45.36 M0L1 C ATOM 3848 O GLN F 71 42.037 -55.923 -21.563 1.00 49.02 MOL1 0 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 3 8 5 2 O CYS F 72 44.312 -57.779 -23.134 1.00 49.99 MOL1 O ATOM 3853 CB CYS F 72 42.036 -50.157 -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 -58.950 -21.351 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 M0L1 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 1.00102.54 MOL1 C ATOM 3862 SHI ARG F 73 42.085 -63.302 -16.631 1.00103.80 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 45.8B1 -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 M0L1 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 -24.8B2 1.00 61.52 MOL1 C ATOM 3873 0 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 MQL1 C ATOM 3876 CB LEU F 75 47.182 -63.191 -27.668 1.00 53.74 MQL1 C ATOM 3877 CG LEU F 75 48.268 -62.124 -27.616 1.00 53.32 MOL1 C

ATOM 367Θ CD1 LEU F 75 49.181 -62.346 -28.811 1.00 45.91 M0L1 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 MOLl O

ATOM 3882 N GLY F 76 44.816 -65.096 -26.956 1.00 71.53 MOLl 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.B62 1.00 85.29 MOL1 O

ATOM 3886 N CYS F 77 41.836 -67.095 -26.517 1.00 81.74 MOLL 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 MQL1 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 3696 CGI 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 MOLL C

ATOM 3898 C ILE F 78 39.002 -70.175 -22.4B3 1.00103.80 MOL1 C

ATOM 3899 O ILE F 78 37.348 -69.926 -22.B12 1.0D106.45 MOLl O ATOM 3900 N ASN F 79 39.395 -71.394 -22.106 1.00112.68 MOLl Ft

, ATOM 3901 CA ASH F 79 38.471 -72.535 -22.043 1.00122.59 MOLl C

pH

ATOM 3902 CB ASH F 79 39.182 -73.837 -22.434 1.00129.08 MODI C

ATOM 3903 CG ASH F 79 39.563 -73.893 -23.900 1.00139.42 MOLl C

ATOM 3904 OD1 ASN F 79 38.707 -73.800 -24.7B8 1.00144.42 MOLl O

ATOM 3905 ND2 ASN F 79 40.857 -74.059 -24.165 1.00143.29 MOLl N

ATOM 3906 C ASH F 79 37.907 -72.729 -20,637 1.00126.34 MOLl C

ATOM 3907 O ASH F 79 37.789 -71.778 -19.861 1.00124.78 MOLl O

ATOM 3908 N ALA F 80 37.566 -73.981 -20.326 1.00130.91 MOLl N

ATOM 3909 CA ALA F 80 37-036 -74.346 -19.014 1.00133.29 MOLl C

ATOM 3910 CB ALA F 80 36.611 -75.812 -19.003 1.00131.58 MOLl C

ATOM 3911 C ALA F 80 38.132 -74.114 -17.987 1.00135.12 MOLl C

ATOM 3912 O ALA F 80 38.652 -75.064 -17.396 1.00132.96 MOLl O

ATOM 3913 ST GLN F 81 38.484 -72.844 -17.796 1.00139.60 MOLl N

ATOM 3914 CA GLN F 81 39.526 -72.455 -16.852 1.00142.21 MOLl C

ATOM 3915 CB GLN F 81 39,186 -73.013 -15.463 1.00144.86 MOL1C

ATOM 3916 CG GLN F 81 40.143 -72.625 -14.348 1.00147.70 MOLl C

ATOM 3917 CD GLN F 81 39.934 -73.457 -13.094 1.00151.40 MOLl C

ATOM 3918 OE1 GLN F 81 40.540 -73.195 -12.054 1.00154.30 MOLl O

ATOM 3919 NE2 GLN F 81 39.077 -74.470 -13.190 1.00150.41 MOLl N

ATOM 3920 C GLN F 81 40.860 -73.028 -17.330 1.00140.93 MOLl C

ATOM 3921 O GLN F 81 41.834 -73.066 -16.579 1.00143.16 MOLl O

ATOM 3922 N GLY F 82 40.899 -73 .459 -1B.5B9 1.00137.86 MOLl N

ATOM 3923 CA GLY F 82 42.101 -74.066 -19.130 1.00132.06 MOLl C

ATOM 3924 C GLY F 82 43.000 -73.207 -19.990 1.00126.42 MOLl C

ATOM 3925 O GLY F 82 43.433 -73.635 -21.055 1.00124.30 MOLl O

ATOM 3926 N LYS F 83 43.282 -71.997 -19.527 1.00123.62 MOLl N

ATOM 3927 CA LYS F 83 44.169 -71.077 -20.237 1.00121.91 MOLl C

ATOM 3928 CB LYS F 83 45.638 -71.440 -19.938 1.00128.60 MOLl C

ATOM 3929 CG LYS F 83 46.659 -70.323 -20.198 1.00130.49 MOLl C

ATOM 3930 CD LYS F 83 48.091 -70.760 -19.873 1.00133.53 MOLl C

ATOM 3931 CE LYS F 83 48.585 -71.854 -20.823 1.00134.47 MOLl C

ATOM 3932 NZ LYS F 83 50.000 -72.257 -20.552 1.00131.10 MOLl N

ATOM 3933 C LYS F 83 43.965 -70.982 -21.756 1.00115.06 MOLl C

ATOM 3934 O LYS F 83 43.163 -71.708 -22.353 1.00110.32 MOLl O

ATOM 3935 N GLU F 84 44.729 -70.073 -22.358 1.00109.95 MOLl H

ATOM 3936 CA GLU F 84 44.687 -69.776 -23.786 1.00102,67 MOLl C

ATOM 3937 CB GLU K 84 45.936 -68.982 -24.206 1.00106.26 MOLl C

ATOM 3938 CG GLU F 84 45.382 -67.490 -23.901 1.00110,45 MOLl C

ATOM 3939 CD GLU F 84 47. D99 -66.735 -24.414 1.00114.20 MOLl C

ATOM 3940 OE1 GLU F 84 47.116 -65.489 -24.292 1.00116.18 MOLl O

ATOM 3941 OE2 GLU F 84 48.037 -67.383 -24.935 1.00116.06 MOLl O

ATOM 3942 C GLU F 84 44.511 -70.921 -24.758 1.00 93.83 M0L1 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 MODI 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 89 43.022 -70.425 -29.023 1.00 83.23 MOL1 O

ATOM 3952 N 1LE 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 XLE 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 CGI 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 MOL2 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.Ξ63 1.00 66.78 MOL1 C

ATOM 3970 SD MET F 88 37.930 -70.420 -30.863 1.00 32.70 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 ASM 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 -32.303 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 MODI 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 4D.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 MODI C

ATOM 3990 CB VAL F 91 39.562 -58.996 -31.353 1.00 44.58 MODI C

ATOM 3991 CGI 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 MODI 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 MODI C

ATOM 3999 CG PRO F 92 40.517 -54.706 -29.835 1.00 30.67 MOL2 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 M0L1 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 2.00 42.56 MOL2 C

ATOM 4006 CGI ILS F 93 33.907 -56.042 -29.582 a.00 52.55 MOL1 C

ATOM 4007 CD1 ILB F 93 34.323 -56.053 -31.053 1.00 54.32 MOL1 C

ATOM 4008 C ILB 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 60.32 MOL1 C

ATOM 4015 OE1 GLN F 94 39.3S5 -49.742 -32.025 1.00 85.68 MOL1 O

ATOM 4016 NE2 GLN F 94 40 .2B5 -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 33.9B0 -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 M0L1 C

ATOM 4024 OE1 GLN F 95 30.834 -47.553 -32.165 1.00101.86 MOL1 O

ATOM 4025 NE2 GLN F 95 28.725 -47.925 -31.451 1.00101.41 MOL1 N

ATOM 4026 C GLN F 95 33.286 -46.126 -30.092 1.00 72.26 MOL1 C

ATOM 4027 0 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

M 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 1.00111.90 MOL1 C

ATOM 4032 CD GLU F 96 32.691 -44.149 -34.886 1.00123.07 MOL1 C

ATOM 4033 OE1 GLU F 96 32.906 -43.070 -35.490 1.00128.72 MOL1 O

ATOM 4034 OE2 GLU F 96 31.853 -44.996 -35.283 1.00126.28 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 -23.639 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 -23.959 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 MODI 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 56.49 MOL1 C

ATOM 4055 CGI 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 0 VAL F 99 32.518 -33.992 -25.107 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 CGI 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 -32.430 -23.963 1,00 92.67 MODI C

ATOM 4070 CD ARG F 101 38.536 -31.359 -24.259 1.00 97.30 MODI C ATOM 4071 NE ARG F 101 39,193 -32.540 -23.689 1.00100.67 MODI N ATOM 4072 CZ ARG F 101 39.300 -32.752 -22.383 1.00102.06 MOL1 C ATOM 4073 NH1 ARG F 101 38.803 -31.8B4 -21.521 1.00100.04 MODI N ATOM 4074 NH2 ARG F 101 39.881 -33.870 -21.936 1.00104.84 MODI N ATOM 4075 C ARG F 101 34.721 -28.753 -22.585 1.00 89.71 MODI C ATOM 4076 0 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 MODI N ATOM 4078 CA ARG F 102 34.730 -27.135 -20.767 1,00107.35 MODI C ATOM 4079 CB ARG F 102 34.273 -27.316 -19,312 1.00110.28 MOL1 C ATOM 4080 CG ARG F 102 33.813 -26.036 -18.622 1.00116.90 MODI C ATOM 4081 CD ARG F 102 33.005 -26.322 -17.350 1.00118.91 MODI C ATOM 4082 NE ARG F 102 33.782 -26.977 -16.298 2.00119.03 MODI N ATOM 4083 CZ ARG F 102 33.271 -27.3B6 -15.140 1.00119.45 MODI C ATOM 4084 NH1 ARG F 102 31.980 -27.207 -14.885 1.00119.89 MODI N ATOM 4085 NH2 ARG F 102 34.046 -27.974 -14.237 1.00117.70 MOL1 N ATOM 4086 C ARG F 102 35.983 -26.276 -20.837 1.00113.63 MODI C ATOM 4087 O ARG F 102 36.818 -26.307 -19,931 1.00116.27 MODI 0 ATOM 4088 N LYS F 103 36.121 -25.518 -21.922 1.00120.15 MODI N ATOM 4089 CA LYS F 103 37.293 -24.SS8 -22.103 1.00128.06 MODI C ATOM 4090 CB LYS F 103 37.552 -24.419 -23.600 1.00129.18 MODI C ATOM 4091 CG LYS F 103 38.204 -25.504 -24.315 1.00133.24 MOL1 C ATOM 4092 CD LYS F 103 38.661 -25.262 -25.732 1.0D137.99 MOL1 C ATOM 4093 CE LYS F 103 39.419 -26.434 -26.373 1.00140.56 MOL1 C ATOM 4094 NZ LYS F 103 39.910 -26.140 -27.757 1.00139.88 MODI N ATOM 4095 C LYS F 103 37.224 -23.342 -21.350 1.00133.17 MOL1 C ATOM 4036 0 LYS F 103 36.158 -22.726 -21.244 1.00134.08 MOL1 O ATOM 4097 N HIS F 104 38.373 -22.927 -20.814 1.00137.83 MOL1 N ATOM 4098 CA HIS F 104 38.500 -21.675 -20.074 1.00144.47 MOL1 C ATOM 4099 CB HIS F 104 37,925 -20.528 -20.916 1.00150.75 MOL1 C ATOM 4100 CG HIS F 104 38.359 -20.554 -22.353 1.00158.24 MOL1 C ATOM 4101 CD2 HIS F 104 39.416 -21.150 -22.957 1.00161.11 MOL1 C ATOM 4102 ND1 HIS F 104 37.660 -19.911 -23.354 1.00160.78 MODI N ATOM 4103 CE1 HIS F 104 38.266 -20.111 -24,512 1.00162.24 MOL1 C ATOM 4104 NE2 HIS F 104 39.334 -20.860 -24.299 1.00162.96 MOL1 N ATOM 4105 C HIS F 104 37.800 -21.739 -18.707 1.00147.30 MOL1 C ATOM 4106 Ο HIS F 104 37.140 -22.730 -18.378 1.00145.39 MOL1 0 ATOM 4107 N GLN F 105 37.956 -20.683 -17.909 1.00150.81 MOL1 N ATOM 4108 CA GLN F 105 37.335 -20.621 -16.586 1.00150.93 MOL1 C ATOM 4109 CB GLN F 105 38.403 -20.763 -15.478 1.00153.40 MOL1 C ATOM 4110 CG GLN F 105 39.723 -20.006 -15.700 1.00154.82 MOL1 C ATOM 4111 CD GLN F 105 39.601 -18.548 -15.257 1.00155.99 MOL1 C ATOM 4112 OE1 GLN F 105 40.679 -17.829 -15.362 1.00154.70 MOL1 0 ATOM 4113 NE2 GLN F 105 38.531 -18.10B -14.755 1.00155.92 MOL1 N ATOM 4114 C GLN F 105 36.496 -19.357 -16.366 1.00149.14 MOL1 C ATOM 4115 O GLN F 105 36.445 -18.464 -17,221 1.00145.42 MOL1 0 ATOM 4116 N GLY F 106 35.819 -19.305 -15.223 1.00147.74 MOL1 N ATOM 4117 CA GLY F 106 34.997 -18.154 -14.897 1.00147.34 MOL1 C ATOM 4118 C GLY F 106 33.842 -17.884 -15.843 1.00147.13 MOL1 C ATOM 4119 O GLY F 106 33.125 -10.801 -16.246 1.00145.82 MOL1 O ATOM 4120 N CYS F 107 33.654 -16.617 -16.200 1.00147.53 MOL1 N ATOM 4121 CA CYS F 107 32.558 -16.255 -17.086 1.00148.41 MOL1 C ATOM 4122 C CYS F 107 32.903 -16.477 -18.554 1.00145.11 MOL1 C ATOM 4123 0 CYS F 107 32.017 -16.507 -19.409 1.00142.60 MOL1 O ATOM 4124 CB CYS F 107 32.123 -14.601 -16.851 1.00155.97 MOL1 C ATOM 4125 SG CYS F 107 31.605 -14.369 -15.144 1.00165.92 MQL1 S ATOM 4126 N SER F 108 34.191 -16.651 -18.836 1.00143.69 MOL1 N ATOM 4127 CA SER F 108 34.660 -16.887 -20.201 1.00144.58 MOL1 C ATOM 4128 CB SER F 108 36.080 -16.327 -20.360 1.00145.52 MOL1 C ATOM 4129 OG SER F 108 36.549 -16.458 -21,693 1.00144.26 MOL1 O ATOM 4130 C SER F 108 34.646 -18.389 -20,532 1.00143.38 MOL1 C ATOM 4131 O SER F 108 35.564 -18.902 -21.182 1.00143.38 MOL1 0 ATOM 4132 N VAL F 109 33.591 -19.078 -20.090 1.00139.43 MOL1 N ATOM 4133 CA VAL F 109 33.429 -20.521 -20,303 1.00131.1? MOL1 C

ATOM 4134 CB VAL F 109 32.716 -21.171 -19.084 1.00129.56 MOL1 C

ATOM 4135 CGI VAL F 109 31.765 -22.265 -19.543 1.00127.20 MOL1 C

ATOM 4136 CG2 VAIt F 109 33.757 -21.745 -18.128 1.00127.59 MOL1 C

ATOM 4137 C VAL F 109 32.691 -20.929 -21.587 1,00126.27 MOL1 C

ATOM 4138 0 VAL F 109 31.581 -20.465 -21.874 1.00120.54 MOL1 O

ATOM 4139 ΚΓ SER F 110 33.334 -21.813 -22.344 1.00121.64 MOL1 N

ATOM 4140 CA SER F 110 32.800 -22.328 -23 .59Ξ 1.00117.57 MOL1 C

ATOM 4141 CB SER F 110 33.56B -21.847 -24.759 1.00118.18 MOL1 C

ATOM 4142 OG SER F 110 35.003 -22.314 -24.627 1.00114.40 MOL1 O

ATOM 4143 C SER F 110 32.812 -23,859 -23.534 1.00115,99 MOL1 C

ATOM 4144 O SER F 110 33.53B -24.449 -22.724 1.00113.41 MOL1 O

ATOM 4145 N PHE F 111 32.013 -24.493 -24.393 1.00111.00 MOL1 N

ATOM 4146 CA PHE F 111 31.906 -25.952 -24.451 1.00100.84 MOL1 C

ATOM 4147 CB PHE F 111 30.495 -26.371 -24.048 1.00102.04 MOL1 C

ATOM 4148 CG PHE F 111 30.207 -26.211 -22.584 1.00102.79 MOL1 C

ATOM 4149 CD1 PHE F 111 28.910 -26.274 -22.112 1.00102.51 MOL1 C

ATOM 4150 CD2 PHE F 111 31.236 -26.050 -21.675 1.00105.75 MOEI C

ATOM 4151 CE1 PHE F 111 28.643 -26.185 -20.763 1.00104.73 MOL1 C

ATOM 4152 CE2 PHE F 111 30.975 -25.960 -20.322 1.00107,04 MOEI C

ATOM 4153 CZ PHE F 111 29.678 -26.028 -19.866 1.00107.03 MOEI C

ATOM 4154 C PHE F 111 32.192 -26.461 -25.861 1.00 96.24 MOEI C

ATOM 4155 O PHE F 111 31.634 -25.944 -26.825 1.00 97.45 MOEI O

ATOM 4156 N GLN F 112 33.046 -27.474 -25.984 1.00 90.96 MOL1 N

i*s 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 H 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 H 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 MDL1 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 1.00102.03 MOL1 C

ATOM 4178 OE1 GLU F 114 39.778 -35.005 -26.660 1.00108.49 MOL1 O

ATOM 4179 OE2 GLU F 114 38.159 -34.334 -25.331 1.00 97.17 M0L1 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 LYE 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 H

ATOM 4189 C LYS F 115 36.253 -38.381 -29.647 1.00 62.95 M0L1 C

ATOM 4190 O LYS F 115 37.445 -38.279 -29.911 1.00 70.29 M0L1 O

ATOM 4191 N VAL F 116 35.781 -39.359 -28.886 1.00 60.57 MOL1 H

ATOM 4192 CA VAL F 116 36.677 -40.346 -28.291 1.00 60.31 M0L1 C

ATOM 4193 CB VAL F 116 36.570 -40.317 -26.760 1.00 57.13 MOL1 C

ATOM 4194 CGI 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 4195 C VAL F 116 36.373 -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 MOLl O'

ATOM 4198 N LEU F 117 37.420 -42.536 -29.027 1.00 58.45 M0L1 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 38.2B8 -45.628 -31.284 1.00 67.28 MOL1 C ATOM 4202 CD1 LEU F 117 39.302 -4S.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 0 LEU F 117 38.617 -44.725 -27.660 1.00 51.96 MOL1 0 ATOM 4206 N VAL F 118 36.51S -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 CGI 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 59.36 MOL1 C ATOM 4218 C THR F 119 36.394 -50.483 -25.072 1.00 52.98 MOL1 C ATOM 4219 0 THR F 119 36.707 -50.477 -23.Θ74 1.00 58.84 MOL1 0 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 CGI 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 -23.95θ' 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 W CVS F 122 36.170 -57.033 -24.918 1.00 41.90 MOL1 N ATOM 4232 CA CYE 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 0 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 H ATOM 4238 CA THR F 123 35.057 -60.762 -27.828 1.00 46.BI MOL1 C ATOM 4239 CB THR F 123 34.071 -60.318 -28.953 1.00 46.B3 MOL1 C ATOM 4240 0G1 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 0 THR F 123 36.977 -61.451 -29.054 1.00 44.66 MOL1 0 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.S7 MOL1 C ATOM 4247 0 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 H 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 CGI VAL F 125 36.531 -61.994 -32.605 1.00 62.70 MOL1 C ATOM 4254 C32 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 0 VAL F 125 38.869 -65.755 -32.603 1.00 58.76 MOL1 0 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 M0L1 C ATOM 4259 CB THR F 126 37.274 -68.320 -35.334 1.00 67.09 MOL1 C ATOM 4260 0G1 THR F 126 38.052 -69.165 -36.192 1.00 78.72 MObl O ATOM 4261 CS2 THR F 126 35.022 -67.878 -36.079 1.00 67.8Ί MOL1 C

ATOM 42£2 C THR F 126 38.666 -66.472 -36.181 1.00 62.28 MOL1 C

ATOM 4263 0 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 MODI C

ATOM 4268 CG PRO F 127 41.971 -67.618 -36.755 1.00 6B.75 MOL1 C

ATOM 4269 C PRO F 127 39.916 -66.437 -33.785 1.00 66.45 MOL1 C

ATOM 4270 O FRO 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 CGI 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 -59.395 -42.102 1.00107.61 MOL1 C

ATOM 4280 CB ILE F 129 40.760 -70.716 -41.310 1.00112.00 MOL1 C

ATOM 4281 CG2 ILE F 129 41.726 -71.764 -41.847 1.00107.86 MOJjl C

ATOM 4282 CGI ILE F 129 41.038 -70.468 -39.822 1.00121.08 MODI C

ATOM 4283 CD1 ILE F 129 40.925 -71.714 -38.933 1.00126.52 MOL1 C

ATOM 4284 C ILE F 129 40.580 -69,666 -43,567 1.00112.94 MOL1 C

in ATOM 4285 0 ILE F 129 41.411 -70.172 -44.314 1.00113.20 MOL1 O

ATOM 4286 N HIS F 130 39.356 -69.328 -43.961 1.00121.19 MOL1 N

ATOM 4287 CA HIS F 130 38.863 -69,516 -45.329 1.00127.35 MOL1 C

ATOM 4288 CB HIS F 130 37.560 -68.713 -45.485 1.00130.61 MOLL C

ATOM 4289 CG HIS P 130 36.861 -68.454 -44.181 1.00134.06 MOL1 C

ATOM 4290 CD2 HIS F 130 36.356 -67.315 -43.648 1.00135.37 MOL1 C

ATOM 4291 NP1 HIS F 130 36.673 -69.435 -43.229 1.00135.79 MOLL N

ATOM 4292 CEL HIS F 130 36.090 -68.911 -42.165 1.00135.80 MOLL C

ATOM 4293 NE2 HIS F 130 35.888 -67.625 -42.392 1.00135.87 MOL1 N

ATOM 4294 C HIS F 130 39.913 -69.107 -46.3B3 1.00128.31 MOL1 C

ATOM 4295 0 HIS F 130 39.855 -68.006 -46.948 1.00121.52 MOL1 O

ATOM 4296 N HIS F 131 40.850 -70.030 -46.629 1.00133.20 MOL1 N

ATOM 4297 CA HIS F 131 41.987 -69.884 -47.554 1.00140.61 MOL1 C

ATOM 4298 CB HIS F 131 41.730 -70.652 -48.864 1.00144.36 MOL1 C

ATOM 4299 CG HIS F 131 42.975 -70.917 -49.663 1.00147.92 MOL1 C

ATOM 4300 CD2 HIS F 131 43.462 -72.061 -50.203 1.00148.07 MOL1 C

ATOM 4301 ND1 HIS F 131 43.881 -69.929 -49.987 1.00148.71 MQL1 N

ATOM 4302 CE1 HIS F 131 44.871 -70.451 -50.689 1.00148.41 MOL1 C

ATOM 4303 NB2 HIS F 131 44.641 -71.744 -50.835 1.00147.74 MOL1 N

ATOM 4304 C HIS F 131 42.393 -68.440 -47.879 1.00141.82 MOL1 C

ATOM 4305 O HIS F 131 43.448 -67.961 -47.439 1.00140.46 MOL1 O

ATOM 4306 N VAL F 132 41.557 -67.770 -48.668 1.00141.67 MOL1 N

ATOM 4307 CA VAL F 132 41,771 -66.384 -49.077 1.00139.40 MOL1 C

ATOM 4308 CB VAL F 132 42.654 -66.291 -50.359 1.00137.24 MOL1 C

ATOM 4309 CGI VAL F 132 42.877 -64.827 -50.736 1.00135.57 MOL1 C

ATOM 4310 CG2 VAL F 132 43.990 -66.999 -50.140 1.00131.43 MOL1 C

ATOM 4311 C VAL F 132 40.387 -65.81B -49.391 1.00140.29 MOL1 C

ATOM 4312 O VAL F 132 39.658 -65.379 -48.497 1.00137.38 MOL1 O

ATOM 4313 N GLN F 133 40.035 -65.856 -50.673 1.00142.86 MOL1 N

ATOM 4314 CA GLN F 133 38.746 -65.377 -51.161 1.00143.14 MOL1 C

ATOM 4315 CB GLN F 133 38.770 -63.848 -51.309 1.00143.32 MOL1 C

ATOM 4316 CG GLN F 133 37.404 -63.157 -51.215 1.00142.55 MOL1 C

ATOM 4317 CD GLN F 133 36.460 -63.506 -52.361 1.00143.56 MOL1 C

ATOM 4318 0E1 GLN F 133 36.766 -63.274 -53.536 1.00141.91 MOL1 O

ATOM 4319 NE2 GLN F 133 35.299 -64.059 -52.019 1.00141.58 MOL1 N

ATOM 4320 C GLN F 133 38.518 -66.045 -52.525 1.00143.02 MOL1 C

ATOM 4321 0 GLN F 133 37.554 -66.833 -52,645 1.00141.78 MOL1 O

ATOM 4322 OXT GLN F 133 39.323 -65.789 -53.451 1.00142.78 MOL1 O

ATOM 4323 CB ALA C 1 -4.305 -58.626 -73.057 1.00101.99 MOL2 C

ATOM 4324 C ALA C 1 -3.330 -57.654 -70.875 1.00 96.91 MOL2 C

ATOM 432*5 0 ALA C 1 -3.606 -57.740 -69.680 1.00100.25 MOL2 O

ATOM 4326 N ALA C 1 -4.1Θ4 -56.198 -72.502 1.00100.33 MOL2 N ATOM 4327 CA ALA C 1 -4.380 -57,566 -71.940 1.00 9S.91 M0L2 C ATOM 4328 N ILE C 2 -2.129 -58.220 -71.315 1.00 89.04 M0L2 N ATOM 4329 CA ILE C 2 -1.03B -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 M0L2 C ATOM 4331 CG2 ILE C 2 1.24Θ -59,482 -70.461 1.00 83.33 MOL2 C ATOM 4332 CGI ILE C 2 0.122 -58.988 -72.569 1.00 84.56 MOL2 C ATOM 4333 CD1 ILE C 2 -0.2B7 -60.430 -72.679 1.00 91.19 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 4333 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 M0L2 C ATOM 4340 CD GLN C 3 -3.626 -55.296 -65.133 1.00110.28 M0L2 C ATOM 4341 OE1 GLN C 3 -4.048 -54.590 -64.210 1.00112.13 M0L2 O ATOM 4342 NE2 GLN C 3 -3.953 -55.083 -66.411 1.00111.21 MOL2 N ATOM 4343 C GLN C 3 0.067 -57.203 -65.063 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 LEO C 4 0.BB2 -56.155 -65.991 1.00 75.88 M0L2 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.B36 1.00 74.18 M0L2 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 M0L2 C ATOM 4350 CD2 LEU C 4 3.609 -56.960 -67.633 1.00 71.94 M0L2 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.B35 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.B6 M0L2 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 M0L2 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 M0L2 C ATOM 4363 CG GLN C 6 6.3S8 -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 M0L2 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 6.5B3 -51.089 -62.B23 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 M0L2 C ATOM 4371 CB SER C 7 5.253 -56.625 -55.B95 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 M0L2 C ATOM 4374 O SER C 7 8.1B7 -Ξ5.Β37 -55.963 1.00 72.62 MOL2 O ATOM 4375 N PRO C 8 7.395 -54.462 -54.393 1.0D 65.56 MOL2 N ATOM 4376 CD PRO C B 8.704 -54.188 -53.788 1.00 66.95 MOL2 C ATOM 4377 CA PRO C B 6,363 -53.673 -S3.728 1.00 69,73 MOL2 C ATOM 4378 CB PRO C B 7.080 -53.162 -52.494 1.00 67.77 MOL2 C ATOM 4379 CG PRO C B 8.434 -52.910 -53.015 1.00 63.16 MOL2 C ATOM 4380 C PRO C B 5.917 -52.528 -54.606 1.00 71.09 M0L2 C ATOM 4381 O PRO C 8 6.499 -52.286 -55.6S3 1.00 76.45 MOL2 O ATOM 4382 N SER C 9 4.887 -51.821 -54.171 1.0D 70.48 MOL2 N ATOM 4383 CA SER C 9 4,393 -50.592 -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 1.0D 74.33 M0L2 O ATOM 4386 C SER C 9 5.187 -49.507 -54.396 1.00 65.19 MOL2 C ATOM 4387 O SER C 3 5.474 -48.552 -55.107 1.00 66.87 M0L2 O ATOM 4388 N SER C 10 5.548 -49.584 -53.127 1.00 63.71 M0L2 N ATOM 4389 CA SER C 10 6,332 -48.532 -52.511 1.08 63.51 MOL2 C

ATOM 4390 CB SER C 10 5.446 -47.S46 -51.635 1.00 65.35 MOL2 C ATOM 4391 OG SER C 10 6.177 -46.533 -51.147 1.00 7D.90 MOL2 O ATOM 4392 C SER C 10 7.383 -49.243 -51.671 1.00 61.83 M0L2 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 MOB2 N ATOM 4395 CA LEU C 11 9.349 -49.124 -50.298 1.00 51.69 M0L2 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 M 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 SERC 12 11.246 -46.553 -46.718 1.00 73,13 MOL2 C ATOM 4405 OG SERC 12 11.103 -47.546 -45.707 1.00 91.16 MOL2 O ATOM 4406 C SER C 12 13.040 -47.SS6 -47.879 1.00 64.64 MOL2 C ATOM 4407 O SERC 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 ALAC 13 15.445 -47.715 -4B.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 ALAC 13 16.430 -46.623 -47.85S 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 SERC 14 17.666 -47.023 -47.549 1.00 59.92 MOL2 N ATOM 4414 CA SERC 14 18.74 8 -46.082 -47,236 1.00 62.56 MOL2 C ATOM 4415 CB SERC 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 -4B.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 M0L2 M 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 CGI VAL C 15 23.957 -44.274 -49.958 1.00 52.75 M0L2 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 M0L2 C ATOM 4428 C GLY C 16 22.B79 -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 M0I.2 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 -49.7B3 -47.153 1.00 76.43 MOL2 O ATOM 4435 0D2 ASP C 17 20.364 -50.056 -46.954 1.00 83.78 M0L2 O ATOM 4435 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 M0L2 O ATOM 4438 N ARG C 18 20.392 -52.694 -51.000 1.00 50.22 M0L2 H ATOM 4439 CA ARG C 18 20.294 -53.411 -52.251 1.00 56.08 M0L2 C ATOM 4440 CB ARG C 18 21.000 -54.765 -52.127 1,00 66.53 M0L2 C ATOM 4441 CG ARG C 18 21.162 -55.544 -53.416 1.00 69.54 M0L2 C ATOM 4442 CD ARG C 18 22.473 -56.333 -53.410 1.00 76.41 MOL2 C ATOM 4443 NB ARG C 18 22.607 -57.130 -54.621 1.00 83.22 M0L2 N ATOM 4444 CZ ARG C 18 21.768 -58.106 -54.964 1.00 90.00 M0L2 C ATOM 4445 NH1 ARG C 18 20.736 -58.411 -54.178 1.00 91.48 M0L2 N ATOM 4446 NH2 ARG C 18 21.947 -58.762 -56.105 1.00 8B.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 0 ATOM 4449 N VAL C 19 18.227 -52.560 -53.143 1.00 53.91 MOL2 W ATOM 4450 CA VAL C 19 16.814 -52.531 -53.500 1.00 48.82 M0L2 C ATOM 4451 CB VAL C 19 16.430 -51.116 -54.008 1.00 49.90 MOL2 C ATOM 4452 CGI VAL C 19 14.942 -50.897 -53.896 1.00 55.27 MQL2 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 IS.490 -53.548 -54.599 1.00 4S.40 MOL2 C ATOM 4455 0 VAL C 19 17.300 -53.790 -55.485 1.00 41.70 MOL.2 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 MOL.2 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 CGI 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 0 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 TKR 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 M0L2 C ATOM 4476 C THR C 22 8.558 -56.868 -60.070 1.00 62.56 M0L2 C ATOM 4477 0 THR C 22 7.879 -55.877 -59.806 1.00 67.37 MOL2 0 ATOM 447B H CYS C 23 8.324 -57.632 -61.129 1.00 64.49 M0L2 N ATOM 4479 CA CYS C 23 7.249 -57,295 -62.046 1.00 69.63 M0L2 C ATOM 4480 C CYS C 23 6.683 -58.549 -62.694 1.00 74.35 M0L2 C ATOM 4481 O CYS C 23 7.028 -58.879 -63.825 1.00 79.68 MOL2 0 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 M0L2 N ATOM 4485 CA ARG C 24 5,189 -60.471 -62.476 1.00 84.17 M0L2 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 1.00108-22 M0L2 C ATOM 448B CD ARG C 24 4.643 -62.860 -59.410 1.00120.10 M0L2 C ATOM 4489 HE ARG C 24 3.463 -63.534 -59.964 1.00130.87 MOL2 N ATOM 4490 CZ ARG C 24 2.741 -64,452 -59.318 1.00135.36 M0L2 C ATOM 4491 HH1 ARG C 24 3.071 -64.828 -58.086 1.00135.50 MOL2 N ATOM 4492 NH2 ARG C 24 1.673 -64.987 -59.900 1.00136.70 M0L2 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 M0L2 N ATOM 4496 CA ALA C 25 3.022 -60.558 -65.597 1.00 81.28 M0L2 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 0 ALA C 25 2.420 -62.815 -66.178 1.00 84.26 MOL2 0 ATOM 4500 N ASP C 25 0.809 -61.232 -65.234 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 25 -1.270 -61.153 -67.466 1.00106.45 MOL2 C ATOM 4503 CG ASP C 26 -2.373 -61.908 -68.180 1,00115.95 MOL2 C ATOM 4504 OD1 ASP C 26 -2.074 -62.825 -68.981 1.00117.86 MOL2 O ATOM 45D5 OD2 ASP C 25 -3.552 -61.559 -67.950 1.00122.70 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 H GLU C 27 0.478 -62.975 -68.810 1,00100.98 MOL2 N ATOM 4509 CA GLU C 27 0.932 -63.998 -69.754 1,00102.53 MOL2 C ATOM 4510 CB GLU C 27 0.396 -63.738 -71.170 1.00109.48 MOB2 C ATOM 4511 CG GLU C 27 -1.094 -63.983 -71.392 1.00119.13 MOL2 C ATOM 4512 CD GLU C 27 -1.483 -63.922 -72.876 1.00125.04 MOL2 C ATOM 4513 OKI GLU C 27 -2.697 -63.949 -73.180 1.00127.79 MOL2 0 ATOM 4514 0E2 GLU C 27 -0.575 -63.855 -73.739 1.00124.79 MOL2 O ATOM 4515 C GLU C 27 2.459 -64.012 -69.822 1.00 99.74 MOL2 C ATOM 4516 0 GLU C 27 3.138 -63.575 -68.893 1.00 98.01 M0L2 O ATOM ¢517 N SER C 28 2,98-9 -64.5 10 - 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 1.00101.41 MOL2 C

ATOM 4520 OG SER C 28 6.224 -66.108 -71.380 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 74.79 MOL2 C

ATOM 4526 CGI 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 M0L2 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 . B76 -62.33B -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 LEUC 32 9,485 -58.314 -75.279 1.00 53.74 MOL2 C

ATOM 4547 CG LEUC 32 10.003 -58.972 -76.55B 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 LEUC 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 -69.47S 1.00 53.72 MOL2 C

ATOM 4555 CG MET C 33 10.063 -56.693 -68.203 1.00 63.35 M0L2 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 H

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 M

ATOM 4573 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 TRF 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 M0L2 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 MOU2 C ATOM 4585 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 M0L2 C ATOM 4591 CE2 TYR C 36 9.682 -48.366 -70.693 1.00 29.24 M0L2 C ATOM 4592 CZ TYR C 36 10.303 -47.739 -71.763 1.00 38.05 M0L2 C ATOM 4593 OH TYR C 36 ID.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 -64.592 1.00 37.85 M0I.2 O ATOM 4596 N GLN C 37 12.693 -45.236 -65.517 1.00 30.14 MOI.2 N ATOM 4597 CA GLN C 37 12.802 -44.566 -64.242 1.00 33.69 MOI.2 C ATOM 4598 CB GLN C 37 14.281 -44.370 -63.910 1.00 25.67 MOI.2 C ATOM 4599 CG GLN C 37 14.536 -43.723 -62.571 1.00 29,66 MOI.2 C ATOM 4600 CD GLN C 37 15.789 -42.877 -62.577 1.00 36.17 MOI.2 C ATOM 4601 OE1 GLN C 37 16.014 -42.092 -63.498 1.00 42.75 MOL2 O ATOM 4602 ΝΞ2 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 M0L2 C ATOM 4604 O GLN C 37 12.240 -42.619 -65.457 1.00 45.43 MOI.2 O ATOM 4605 N GLN C 38 11.475 -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 MOI.2 C ATOM 4607 CB GLN C 38 9.425 -41.507 -63.BB3 1.00 42.79 M0L2 C ATOM 4608 CS GLN C 38 8.736 -40.175 -63.B02 1.00 46.09 MOI.2 C ATOM 4609 CD GLN C 38 7.317 -40.260 -64.245 1.00 51.40 MOI.2 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 -39.4B4 -62.173 1.00 43.36 MOL2 N ATOM 4615 CA LYS C 39 11.731 -38.667 -60.976 1.00 46.56 M0L2 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 MOI.2 C ATOM 4619 CE LYS C 39 16,433 -39.450 -60.494 1.00 62.86 M0L2 C ATOM 4620 N2 LYS C 39 17.409 -38.41B -61.000 1.00 63.36 MOL2 M ATOM 4621 C LYS C 39 10.479 -37.B11 -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 FRO C 40 10.193 -37.159 -59.B22 1.00 64.58 M0L.2 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 M0L2 C ATOM 4626 CB PRO C 40 8.982 -35.905 -58.253 1.00 65.24 M0L2 C ATOM 4627 CG PRO C 40 9.807 -36.975 -57.570 1.00 71.18 M0L2 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 65.57 M0L2 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 M0L2 C ATOM 4633 O GLY C 41 8.240 -33.348 -64.704 1.00 74.22 M0L2 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 4537 CG LYS C 42 12.633 -34.071 -64.233 1.00 79.68 M0L2 C ATOM 4638 CD LYS C 42 13.192 -33.060 -65.260 1.00 98.35 M0L2 C ATOM 4639 CE LYS C 42 14.349 -33.664 -66.104 1.0,0110.67 MOL2 C ATOM 4640 N3 LYS C 42 14.865 -32.795 -67.225 1.00109.90 M0L2 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 M0L2 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 -37.17ΈΓ -69.249 1.08 52.86 M0L2 C

ATOM 4645 C MAC 43 10.219 -38.873 -67.655 1.00 46.72 MoL2 C

ATOM 4647 O ALA C 43 11.384 -38.896 -67.231 1.00 47.15 W0L2 G

ATOM 4648 F PRO C 44 S .558 -40.001 -67.978 1.00 44.39 M0L2 H

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 44.63 MQD2 C

ATOM 4651 CB PRO C 44 9.251 -42.245 -68.59S 1.00 45.67 MQL2 C

ATOM 4652 CG PRO C 44 7.938 -41.584 -S3.41S 1.00 52.20 MOL2 C

ATOM 4653 C PRO C 44 11.546 -41.275 -68.537 1.00 45.42 MGL2 C

ATOM 4654 O PRO C 44 11.802 -40.387 -69.348 1.00 52.33 MGL2 O

ATOM 4655 H 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.El MOI.2 C

ATOM 4657 C3 LYS C 45 14.806 -41.625 -67.364 1.00 39.22 MOL2 C

ATOM 4656 CG LYS C 45 16.236 -42.071 -68.266 1.00 54.90 MOI.2 C

ATOM 4659 CD LYS C 45 17.180 -41.630 -67,110 1.00 72. C9 MOL2 C

ATOM 4650 CB LYS C 45 18.593 -42.278 -67.122 1.00 70.55 MOL2 C

ATOM 4651 KZ 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 MQL2 C

ATOM 4663 C LYS C 45 13.894 -44.542 -67.S54 1.00 45.87 MOL2 O

ATOM 4664 N LEU C 46 14.476 -44.286 -69.995 1.00 36.14 HOL2 N

ATOM 4655 CA LED 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 15.437 -47.425 -71,985 1.00 23.94 MOL2 C

ATOM 4668 CD1 LEU C 46 14.636 -43.437 -71.328 1.00 28.01 MQL2 C

( ATOM 4669 CD2 LEU C 46 15.437 -47.614 -73.474 1.00 23.58 KOL2 C

*' ATOM 4670 C LEU C 46 15.960 -46.100 -69.322 1.00 39.09 MQL2 C

ATOM 4671 C LEU C 46 16.989 -45.429 -69.321 1.00 43.63 MOL2 O

ATOM 4672 H LEU C 47 15.807 -47.213 -68.593 1.00 40.04 KOL2 H

ATOM 4673 CA LEU C 47 16.880 -47.74S -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 16.525 -46,345 -65-348 1.00 45.46 KOL2 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 MQL2 C

ATOM 4678 C LEU C 47 17.418 -49.009 -68.330 1.00 37.87 MOL2 C

ATOM 4679 O LEU C 47 18.605 -49.117 -68-623 1.00 44.63 MDL2 G

ATOM 4680 M ILE C 48 16.537 -43.958 -68.679 1.00 36.23 MOL2 H

ATOM 4681 CA ILE C 48 16.961 -51.235 -69.225 1.00 32.84 KQL2 C

ATOM 4682 CB ILE C 48 17.074 -52.25B -6B.O70 1.00 34.34 MOL2 C

ATOM 4683 CG2 ILE C «8 17.200 -53.672 -68.586 1.00 25.38 MOL2 C

ATOM 4584 CGI ILK C 48 18.268 -51.837 -67.134 1.00 36,96 MQL2 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 -51.78S -70.281 1.00 35.44 MOL2 C

ATOM 4687 O ILE C 48 14.815 -51.818 -70.072 1. DO 39.59 MOL2 O

ATOM 4688 N TYK C 43 16,581 -53.215 -71.413 1.00 36,31 M0L3 N

ATOM 4689 CA TYR C 43 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 Ç

ATOM 4691 CG TYR C 49 17,514 -52.236 -74.361 1.00 38.82 MOL2 C

ATOM 4692 CD1 TYR C 43 18.494 -51.433 -73.811 1.00 43.57 MOL2 C

ATOM 4693 CE1 TYR C 43 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 MQL2 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 MGL.2 C

ATOM 4697 OH TYR C 49 21.329 -51.397 -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 4g 17.075 -54.808 -72.109 1.00 45.94 MDL2 Q

ATOM 4700 N LEU C 50 15.197 -54,999 -73.332 1.00 41.35 M0L2 N

ATOM 4701 CA LEU C 50 15.333 -56.434 -73.504 1.00 37.64 MOL2 Q ATOM 4702 CB LEU C 50 16.309 -56.760 -74.619 1.00 41.43 MGL2 Ç

ATOM 4703 CG LEU C 50 15.801 -56.897 -76.060 1.00 49.42 KGL2 C

ATOM 4704 CD1 LEO C 50 14.353 -57.366 -76.092 1.00 43.83 MOL2 C

ATOM 4705 CB2 LEU C 50 15.953 -55.576 -76.752 1.00 49.87 MODS C

ATOM 4706 C LBU C 50 15,803 -57.131 -72.232 1.00 38.81 MOL2 C ATOM 4707 0 LSD C 50 16.858 -57.741 -72.2C4 1.00 39.05 KQL2 0

ATOM 4708 N VAL C 51 15-011 -57.008 -71.179 1,00 39.B6 MGL2 H ATOM 4709 CA VftL C 51 15.264 -57.635 -69.890 1.00 41.18 MQL2 c

ATOM 4710 CB VAL C 51 15.333 -59.142 -S9.983 1.00 40.58 MOL2 C ATOM 4711 CGI VAL C 51 15.210 -59.724 -68.598 1.00 38.71 M0L2 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 M0L2 C ATOM 4714 O VAL C 51 16.310 -57.004 -S7.863 1.00 52.89 MOL2 O ATOM 4715 N SER C 52 17.642 -57.226 -69.643 1.00 42,94 M0L2 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 M0L2 C ATOM 4720 O SER C 52 20.949 -55.910 -68.838 1.00 50.11 MOL2 0 ATOM 4721 N ASK 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 ASK C 53 20.452 -54.611 -72.673 1.00 42.75 M0L2 C ATOM 4724 CG ASN C 53 20.612 -55,998 -73.197 1.00 47.39 M0L2 C ATOM 4725 OD1 ASK C 53 19.6B5 -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 M0L2 C ATOM 4728 O ASN C 53 19.272 -52.606 -70.749 1.00 48.58 M0L2 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 M0L2 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 -6B.636 1.00 62.65 M0L2 C ATOM 4733 CD ARG C 54 23.970 -50.206 -67.220 1.00 53.90 M0L2 C ATOM 4734 NE ARG C 54 23.905 -51.481 -66.516 1.00 64.24 M0L2 N ATOM 4735 CZ ARG C 54 24.8B9 -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 Μ0Ϊ.2 N ATOM 4737 NH2 ARG C 54 24.740 -53.531 -65.866 1.00 71.08 MGL2 N ATOM 4738 C ARG C 54 21.524 -49.998 -70.965 1.00 44.55 M0L2 C ATOM 4739 O ARG C 54 22.327 -50.238 -71,857 1.00 42.06 M0L2 O ATOM 4740 N GLU C 55 20.830 -48.861 -70.908 1.00 49.25 M0L2 N ATOM 4741 CA GLD 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 M0L2 C ATOM 4743 CG GLU C 55 18.911 -46.718 -72.816 1.00 64.00 M0L2 C ATOM 4744 CD GLU C 55 19.397 -46.306 -74.186 1.00 66.72 MOL2 C ATOM 4745 OS1 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 M0L2 O ATOM 4747 C GLUC 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 M0L2 O ATOM 4749 N SER C 56 22.880 -46.432 -72.573 1.00 56.90 M0L2 N ATOM 4750 CA SER C 56 24.205 -45.836 -72.467 1.00 60.81 M0L2 C ATOM 4751 CB SERC 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 M0L2 0 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 M0L2 0 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 M0L2 C ATOM 4758 O GLY C 57 24.646 -44.243 -67.272 1.00 57.46 M0L2 O ATOM 4759 N VAL C 5B 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 CGI VAL C 58 20.912 -47.749 -66.253 1.00 45.32 MOL2 C ATOM 4763 CG2 VAL C 53 20.642 -46.801 -68.493 1.00 39.41 MOL2 C ATOM 4764 C VAL C 58 23.735 -46.551 -66.334 1.00 48.33 M0L2 C ATOM 4765 O VAL C 58 24.558 -47.247 -66.931 1.00 45.45 MOL2 0 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 M0L2 C ATOM 4768 CA PRO C 59 24.972 -46.646 -64.181 1.00 45.60 M0L2 C ATOM 4769 CB PRO C 59 24.665 -45.977 -62.858 1.00 47.98 M0L2 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 M0L2 O ATOM 4773 W SER C 60 26.273 -43.498 -63.529 1.00 63.15 MOL2 N

ATOM 4774 CA SER C SO 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 MOD2 O

ATOM 4777 C SER C 60 25.705 -50.637 -62.374 1.00 60.32 MOL2 C ATOM 4778 O SERC 60 25.409 -51.807 -62.610 1.00 61.45 MOL2 0

ATOM 4779 N ARG C 61 25.238 -49.969 -61.310 1.00 49.31 M0L2 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 51 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 51 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 0

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 -62.2B2 1.00 33.23 M0L2 C

ATOM 4794 CD1 PHE C 52 18.952 -48.661 -61.510 1.00 30.43 MOL2 C

ATOM 4795 CD2 PHE C 52 20.975 -47.591 -62.291 1.00 34.55 MOL2 C

ATOM 4796 CE1 PHE C 62 18.697 -47.539 -60.760 1.00 31.63 M0L2 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 M0L2 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 M0L2 0

ATOM 4801 N SER C 63 20.464 -53.376 -62.652 1.00 48.82 M0L2 M

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 M0L2 C ATOM 4804 OG SER C 63 21.678 -55.300 -61.382 1.00 63.54 MOL2 0

ATOM 4805 C SER C 63 19.182 -55.322 -63.505 1.00 49.62 M0L2 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 M0L2 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 M0L2 O

ATOM 4811 W SER C 65 16.712 -58.727 -65.044 1.00 61,30 M0L2 N

ATOM 4812 CA SER C 65 16.789 -60.191 -65.035 1.00 63.04 M0L2 C

ATOM 4B13 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 4315 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 0

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 -52.458 -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 M0L2 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 M0L2 0

ATOM 4827 N GLY C 68 10.016 -54.937 -68.628 1.00 95.23 M0L2 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 0

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 M ASP C 70 8.046 -63.612 -64.946 1.00 88.12 MOL2 ΪΓ ATOM 4B39 CA ASP C 70 8.500 -62.905 -63.752 1.00 85.65 MOL2 C ATOM 4840 CB ASP C 70 B.708 -63.866 -62.572 1.00 90.05 MOL2 C ATOM 4B41 CS ASP C 70 7.424 -64.558 -62.132 1.00 95.17 MOL2 C ATOM 4B42 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 4B44 C ASP C 70 9.819 -62.199 -64.056 1.00 79.36 MOÍ.2 C ATOM 4B45 0 ASP C 70 10.718 -62.769 -64.675 1.00 81.13 MOL2 O ATOM 4846 Μ PHE C 71 9.923 -60 .947 -63.632 1.00 68.65 M0L2 N ATOM 4 84 7 CA PHE C 71 11,132 -60.172 -63.852 1.00 55.13 M0L2 C ATOM 4848 CB PHE C 71 10.950 -59 ,221 -65.0C5 1.00 47.53 M0L2 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 M0L2 C ATOM 4851 CD2 PHE C 71 9.323 -60.433 -66.415 1.00 42.09 MOL2 C ATOM 4B52 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 4B54 ca PHE C 71 9.847 -61.096 -6B.62B 1.00 40.40 M0L2 C ATOM 4855 C PHE C 71 11.470 -59.372 -62.623 1.00 53.35 MOL2 C ATOM 4856 0 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 47.33 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 M0L2 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 -62.4B9 1.00 49.23 M0L2 O ATOM 4864 N LEU C 73 13.990 -55.966 -61.211 1.00 46.28 MOL2 N ATOM 4865 CA LEUC 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 M0L2 C ATOM 4 86 8 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 4370 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 4372 N THR C 74 16.942 -54.521 -60.150 1.00 42.16 MOL2 H ATOM 4873 CA THR C 74 17.665 -54.436 -58.890 1.00 46.63 M0L2 C ATOM 4874 CB THR C 74 18.187 -55.618 -56.459 1.00 50.79 M0L2 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 IB. 821 -53.453 -58.832 1.00 44.72 M0L2 C ATOM 4878 O THR C 74 19.681 -53 .425 -59.707 1.00 45.79 M0L2 O ATOM 4879 N ILE C 75 18.831 -52.648 -57.779 1.00 42.15 M0L2 W ATOM 48Θ0 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 CGI ILE C 75 18.145 -4S .932 -58.091 1.00 41.7S M0L2 C ATOM 4864 CD1 ILE C 75 17.763 -48.493 -57.969 1.00 40.92 M0L2 C ATOM 4885 C ILE C 75 20.837 -52.161 -56.510 1.00 53.74 M0L2 C ATOM 4885 O IDE C 75 20.519 -52.153 -55.325 1.00 58.13 M0L2 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 -S3.Ill -56.085 1.00 55.62 M0L2 C ATOM 4889 CB SERC 76 24.334 -53 .347 -56.900 1.00 61.50 M0L2 C ATOM 4890 OG SER C 76 24.075 -54,209 -57.995 1.00 81.73 M0L2 O ATOM 4891 C SERC 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 M0L2 O ATOM 4893 N SER C 77 23.434 -50 .928 -55.163 1.00 52.22 M0L2 ΚΓ ATOM 4894 CA SER C 77 23.870 -50.024 -54.101 1.00 52.79 M0L2 C ATOM 4 895 CB SER C 77 25.389 -49 .839 -54.162 1.00 49,01 M0L2 C ATOM 4396 OG SER C 77 25.840 -48.801 -53.318 1.00 53.10 MOL2 O ATOM 4397 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 52.30 MOL2 N ATOM 4900 CA LEU C 78 21.130 -47.412 -53.756 1.00 50.35 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 M0L2 C

ATOM 4903 CD1 LEU C 78 18.558 -47.499 -54.675 1.00 48.44 M0L2 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 M0L2 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 M0L2 C

ATOM 4909 CB GLN C 79 23.0BO -43.S48 -55.711 1.00 55.34 M0L2 C

ATOM 4910 CG GLN C 79 24.229 -44.593 -55.899 1.00 54.70 M0L2 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.B29 -43.S47 -54.475 1.00 60.93 MOL2 O

ATOM 4913 NE2 GLN C 79 25.187 -45.644 -53.949 1,00 52.58 M0L2 N

ATOM 4914 C GLN C 79 21.341 -42.731 -54.210 1.00 54.56 M0L2 C ATOM 4915 0 GLN C 79 20.169 -42.BB1 -54.541 1.00 62.39 M0L2 0

ATOM 4916 N PRO C 80 21.806 -41.571 -53.721 1.00 52,71 M0L2 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 0 PRO C 80 18.794 -39.970 -54.471 1.00 68.04 M0L2 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

IM ATOM 4925 CB GLU C 81 20.689 -39.406 -58.158 1.00 76.22 M0L2 C

ATOM 4926 CG GLU C 81 22.051 -40.110 -58.272 1.00 B8.01 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 1.00101.10 MOL2 0

ATOM 4929 OE2 GLU C B1 22.751 -38.795 -56.369 1.00101.43 M0L2 O

ATOM 4930 C GLU C 81 18.959 -41.102 -57.572 1.00 63.06 M0L2 C ATOM 4931 O GLU C 81 18.359 -41.016 -58.638 1.00 70.08 MQL2 0

ATOM 4932 N ASP C 82 18.931 -42.199 -56.834 1.00 56.47 MOL2 N

ATOM 4933 CA ASP C 82 18.170 -43.356 -57.291 1.00 56.08 M0L2 C

ATOM 4934 CB ASP C 82 18.915 -44.631 -56.912 1.00 65.30 M0L2 C

ATOM 4935 CG ASP C 82 20.182 -44.808 -57.704 1.00 75.06 M0L2 C

ATOM 4936 ODl ASP C 82 20.938 -45.761 -57.409 1.00 79.38 M0L2 O

ATOM 4937 OD2 ASP C 82 20.407 -43.989 -58.628 1.00 78.88 M0L2 O

ATOM 4938 C ASP C 82 16.778 -43.366 -56.716 1.00 50.07 MOL2 C

ATOM 4939 0 ASP C 82 15.960 -44.244 -57.018 1.00 43.69 M0L2 O

ATOM 4940 N PHE C 83 16.512 -42.377 -55.880 1.00 46.85 M0L2 N

ATOM 4941 CA PHE C 83 15.217 -42.262 -55.263 1.00 47.13 M0L2 C

ATOM 4942 CB PHE C 83 15.316 -41.358 -54.038 1.00 41.56 M0L2 C

ATOM 4943 CG PHE C 83 16.047 -41.988 -52.899 1.00 43.74 M0L2 C

ATOM 4944 CD1 PHE C 83 17.214 -41.435 -52.409 1.00 47.35 M0L2 C

ATOM 4945 CD2 PHE C 03 15.573 -43.157 -52.326 1.00 50.15 M0L2 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 M0L2 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 M0L2 C

ATOM 4950 0 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.B54 1.00 41.88 MOL2 C

ATOM 4953 CB ALA C 84 13.169 -42.081 -59.176 1.00 43.18 M0L2 C

ATOM 4954 C ALA C 84 11.467 -43.417 -57.980 1.00 42.51 MOL2 C ATOM 4955 0 ALA C 84 11.444 -44.347 -57.183 1.00 44.46 MOL2 0

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 -59.1B5 1.00 45.97 M0L2 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 M0L2 C

ATOM 4961 C THR C 85 10.132 -45.159 -60.377 1.00 43.47 MOL2 C ATOM 4962 0 THR C 85 10.725 -44.579 -61.274 1.00 46.85 MOL2 0

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 CS 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 M0L2 C ATOM 4957 CD1 TYR C B6 12.753 -47.089 -59.249 1.00 30.80 M0L2 C ATOM 4968 CE1 TYR C 86 13.895 -46.406 -5B.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 36 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 0 86 9.192 -48.057 -62.136 1.00 37.41 MOL2 C ATOM 4974 0 TYR C 86 8.342 -48.594 -61.433 1.00 42.90 MOL2 0 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 M0L2 C ATOM 4981 CD2 TYR C 87 7.167 -45.429 -64.309 1.00 57.77 MOL2 C ATOM 4982 CE2 TYR C 37 6.543 -44.370 -63.667 1.00 58.59 M0L2 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 0 ATOM 4985 C TYR C 87 8.625 -49.898 -65.069 1.00 44.65 MOL2 C ATOM 4986 0 TYR C 87 9.686 -49 .744 -65.665 1.00 50.92 MOL2 O ATOM 4937 N CYS C 88 7.902 -51,010 -65.165 1.00 40.51 M0L2 H ATOM 4988 CA. CYS C 88 8.321 -52.063 -66.074 1.00 44.56 M0L2 C ATOM 4989 C CYS C 88 7.382 -51.954 -69.247 1.00 44.14 MOL2 C ATOM 4990 0 CYS C 38 6.341 -51.336 -67.127 1.00 50.52 M0L2 0 ATOM 4991 CB CYS C 88 8.229 -53 .445 -65.447 1.00 53.31 M0L2 C ATOM 4992 SG CYS C 88 6.697 -53.880 -64.577 1.00 73.27 M0I>2 S ATOM 4993 N GLN C 89 7.744 -62.514 -68.391 1.00 42.16 MOL2 N ATOM 4994 CA GLNC 39 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 M0L2 C ATOM 4996 CG GLN C 39 6.642 -51.211 -71.784 1.00 49.94 M0L2 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 M0L2 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 0 GLN C 89 8.263 -54.033 -70.605 1.00 51.54 M0L2 0 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 5D04 CB GUT 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 M0D2 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 M0L2 N ATOM 5009 C GLN C 90 5.798 -54.677 -73.407 1.00 60.06 M0L2 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 5D12 CA THR C 91 5.976 -54.959 -7S.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 M0L2 O ATOM 5015 CG2 THR C 91 7.215 -52.783 -75.847 1.00 61.34 M0L2 C ATOM 5016 C THR C 91 5.777 -56.201 -76.648 1.00 66.54 M0L2 C ATOM 5017 0 THR C 91 5.987 -56,178 -77.854 1.00 71.36 M0L2 0 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 M0L2 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 1.00103.33 MOL2 C ATOM 5023 CE2 TRP C 92 5.527 -63.108 -77.457 1.00108.01 MOL2 C ATOM 5024 CE3 TRP C 92 3.663 -62.635 -75.984 1.00106.52 MOL2 C ATOM 5025 CD1 TRP C 92 6.650 -61.180 -77.428 1.00104.29 MOL2 C ATOM 5026 NE1 TRP C 92 6.630 -62.457 -77.943 1.00104.83 MOL2 N ATOM 5027 CZ2 TRP C 92 5.078 -64.408 -77.688 1.00114.24 MOL2 C ATOM 5028 CZ3 TRP C 92 3.216 -63.930 -76.214 1.00115.21 MOL2 C ATOM 5029 eH2 TRP C 92 3.929 -64.801 -77.059 1.00118.29 MOL2 C ATOM 5030 C TRP C 32 3.7S6 -5B.397 -77.405 1.00 87.15 MOL2 C ATOM 5031 O TRP C 92 3.638 -5S.507 -78.626 1.00 83.95 M0L2 O ATOM 5032 N SER C 33 2.741 -58.151 -76.587 1.00 92.89 M0L2 N ATOM 5033 CA SER C 93 1.364 -58.013 -77.073 1,00 98.74 M0L2 C ATOM 5034 CB SER C 93 0.371 -58,525 -76.023 1.00102.20 M0L2 C ATOM 5035 OG SER C 93 0.370 -59.945 -75,962 1.00103.64 M0L2 O ATOM 5036 C SER C 93 1.025 -56.568 -77.427 1.00100.18 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 -73.599 1.00101.46 MOIi2 N ATOM 5039 CA ASP C 94 0.042 -55.086 -79.131 1,00104.82 MOL2 C ATOM 5040 CB ASP C 94 -1.136 -55.232 -80.089 1.00113.96 M0L2 C ATOM 5041 CG ASP C 94 -1.477 -53,923 -80.778 1.00123.75 MOL2 C ATOM 5042 OD1 ASP C 94 -2.669 -53.693 -SI.099 1.00127.52 MOL2 O ATOM 5043 OD2 ASP C 94 -0.535 -53.126 -81.001 1.00124.10 M0L2 O ATOM 5044 C ASP C 94 -0.282 -53.949 -78.153 1.00101.57 MDIi2 C ATOM 5045 O ASP C 94 0.285 -52.857 -78.251 1.00108.20 M0D2 O ATOM 5046 N PRO C 95 -1.225 -54.164 -77.224 1.00 93.00 M0L2 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 M0L2 C ATOM 5049 CB PRO C 95 -2.800 -53.450 -75.621 1.00 80.37 M0L2 C ATOM 5050 CG PRO C 95 -3.372 -54.514 -76.521 1.00 91.74 M0L2 C ATOM 5051 C PRO C 95 -0.361 -52.954 -75.31B 1.00 80.12 MOL2 C ATOM 5052 0 PRO C 95 -0.492 -53.406 -74.186 1.00 84.08 M0L2 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 M0L2 C ATOM 5055 CB TRP C 96 2.939 -Ξ1.339 -75.472 1.O0 S7.03 MOL2 C ATOM 5056 CG TRP C 96 3.479 -51.811 -76.799 1.00 65.50 M0L2 C ATOM 5057 CD2 TRP C 96 4.212 -51.031 -77.751 1.00 64.82 MOL2 C ATOM 5D58 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 MQL2 C ATOM 5060 CD1 TRP G 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 5D64 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 0 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 M0L2 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 EHE C 98 2.219 -50.913 -69.096 1.00 59.78 M0L2 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 M0L2 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 65.48 M0L2 C ATOM 5080 CE1 PHE C 98 4.093 -47.660 -71.-330 1.00 67.42 M0L2 C ATOM 5081 CE2 PHE C 98 5.833 -47.039 -69.846 1.00 6B.13 MOL>2 C ATOM 5082 C2 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 0 PHE C 98 1.687 -51.611 -66.501 1.00 62.87 MOL2 0 ATOM 5085 N GLY C 99 3.724 -51.036 -65.765 1.00 59,70 M0L2 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 M0L2 C ATOM 5088 0 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 M0L2 N ATOM 5090 CA GLN C 100 1.798 -49.603 -61.623 1.00 53.18 MOL2 C ATOM 5091 CB GLN C 100 1.165 -50.28B -60.427 1.00 63.92 MQL2 C ATOM 5092 CG GLN C 100 2.172 -51.079 -59.621 1.00 74.70 M0L2 C ATOM 5093 CD GLN C 100 1.666 -51.403 -58.236 1.00 85.82 MOL2 c

ATOM 5094 OE1 GLN C 100 2.423 -51.875 -57.378 1.00 92.54 MOL2 O ATOM 5095 NE2 GLN C 100 0.374 -51.155 -58.004 1.00 91.03 M0L2 N ATOM 5096 C GLN C 100 2.864 -48.636 -51.153 1.00 54.59 MOL.2 C ATOM 5097 O GLN C 100 2.571 -47.503 -60.752 1.00 52.82 MOL2 O ATOM 5098 N GLN 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 4.532 -48.520 -58.442 1.00 50.84 MOL2 0 ATOM 5102 N THR C 102 6.833 -48.470 -5B.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 WOL2 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 MQL2 0 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 MOL>2 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 M0L2 C ATOM 5117 0 LYS C 103 8.903 -46.585 -53.518 1.00 55.19 MOL2 0 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 C31 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 11.303 -44.522 -52.957 1.00 40.72 MOL2 C ATOM 5124 0 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 M0L2 N ATOM 5126 CA GLU C 105 11.374 -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 87.43 MOL2 O ATOM 5132 C GLU C 105 12.924 -43.665 -49.710 1.00 56.45 MOL2 C ATOM 5133 0 GLU C 105 13,151 -44.807 -49.328 1.00 66.11 M0L2 0 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 MOL.2 C ATOM 5136 CB ILE C 106 15.345 -41.378 -47.985 1.00 69.09 M0L2 C ATOM 5137 CG2 ILE C 106 16.317 -41,562 -48.252 1.00 73.60 MOL2 C ATOM 5138 CGI ILE C 106 14.701 -40.256 -48.822 1.00 75.56 MOL.2 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 62.9B MOL2 C ATOM 5141 0 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 14.975 -46.0B6 -44.728 1.00 53.80 MOL2 C ATOM 5145 CG LYS C 107 14.056 -47.077 -43.939 1.00 61.17 MOL.2 C ATOM 5146 CD LYS C 107 13.947 -46,753 -42.471 1.00 67.82 M0L2 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 M0L2 N ATOM 5149 C LYS C 107 14.867 -43.7B8 -43.88B 1.00 44.89 MOL2 C ATOM 5150 0 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 MOL.2 N ATOM 5152 CA ARG C 10B 14.698 -42.731 -41.719 1.00 53.5B MOL2 C ATOM 5153 CB ARG C 108 14.588 -41.238 -42.075 1.00 54.26 MOL.2 C ATOM 5154 CG ARG C 108 13.184 -40.659 -42.059 1.00 55.57 MOL2 C ATOM 5155 CD ARG C 10B 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 56.7B MOL.2 N ATOM 5157 CZ ARG-C 108 13.332 -3&.U31 -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 10B 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 M0L.2 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 M0L2 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 0

ATOM 5166 CG2 THR C 109 16.509 -42.320 -37.067 1.00 52.82 MOL2 C

ATOM 5167 C THR C 1D9 12.789 -42.197 -37.830 1.00 50.20 MOL2 C ATOM 5168 O THR C 109 12.454 -41.146 -3B.353 1.00 54.79 M0L2 0

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 1.0D 53.05 MOIj2 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 l.DD 71.39 MOL2 O ATOM 5174 OD2 ASP C 110 8.716 -4S.765 -36.905 1.00 64.73 M0L2 0

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 M0L2 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 51B0 C ALA C 111 7.638 -38.961 -35.759 1.00 53.06 M0L2 C

Η ATOM 5181 O ALA C 111 6.90B -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 M0L2 N

ATOM 5183 CA ALA C 112 5.814 -38.210 -34.349 1.00 50.17 M0L2 C

ATOM 5184 CB ALA C 112 5.564 -38.185 -32.880 1.00 55.55 M0L2 C

ATOM 5185 C ALA C 112 5,410 -36.880 -34.975 1.00 53,70 M0L2 C

ATOM 5185 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 M0L2 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 M0L2 C

ATOM 5190 CB PRO C 113 2.263 -36.176 -36.623 1.00 55.06 M0L2 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 M0L2 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 H

ATOM 5195 CA THR C 114 3.000 -32.149 -34.719 1.00 66.52 M0L2 C

ATOM 5196 CB THR C 114 4.006 -31.088 -34,027 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 W

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 M0L2 C

ATOM 5204 CGI VAL C 115 -3.165 -31.978 -34,883 1.00 65.89 M0L2 C

ATOM 5205 CG2 VAL C 115 -1.494 -33.812 -34.824 1.00 68.29 MOL2 C

ATOM 5205 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 90.19 M0L2 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 M0L2 C

ATOM 5217 CG2 ILE C 117 -7.482 -27.688 -33.360 1.00 75.13 MOL2 C

ATOM 5218 CGI 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 Cr

ATOM 5222 N PHE 0 118 -7.312 -25.594 -36.654 1.00 79.08 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 B8.66 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 -4.898 -24.755 -38.319 1.00100.70 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 11B -3.358 -24.982 -38.022 1.00108.84 MOL2 C ATOM 5229 CE2 PHE C 118 -3.436 -23.220 -38.414 1.00102.11 MOL2 C ATOM 5230 CZ PHE C 118 -2.727 -24.206 -37.065 1.00106.08 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 B4.75 MOL2 N ATOM 5234 CD PRO C 119 -9.142 -22.344 -35.34Ξ 1.00 88.58 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 B9.26 MOIi2 C ATOM 5238 C PRO C 119 -11.509 -21.9B9 -37.719 1.00 81.90 MOL2 C ATOM 5239 0 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 -38.268 1.00 79.18 MOL2 N ATOM 5241 CD PRO C 120 -13.B91 -22.740 -37.854 1.00 74.33 MOL2 C ATOM 5242 CA PRO C 120 -13.109 -21.414 -39 .514 1.00 83.28 M0L2 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 -39.498 1.00 88.69 MOL2 C ATOM 5248 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 1,00103.21 MOL2 C ATOM 5250 OG SER C 121 -9,860 -18.249 -42.094 1.00106.70 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 1.00100.00 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 MOI.2 C ATOM 5256 OG SER C 122 -13.835 -14.597 -37.260 1.00 95.13 MOL2 O ATOM 5257 C SER C 122 -14.733 -14.850 -40.901 1.00 97.46 MOL2 C ATOM 525 8 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 MOI.2 N ATOM 5260 CA GLU C 123 -13.897 -14.021 -43.031 1.00 96.49 MOI.2 C ATOM 5261 CB GLU C 123 -12.513 -13.741 -43.626 1.00101.06 M0L2 C ATOM 5262 CG GLU C 123 -11.598 -12.872 -42.722 1.00105.38 MOL2 C ATOM 5263 CD GLU C 123 -11.419 -13.419 -41.291 1.00107.61 MOL2 C ATOM 5264 OE1 GLU C 123 -11.022 -14.594 -41.134 1.00111.76 MOL2 0 ATOM 5265 OE2 GLU C 123 -11.670 -12,673 -40.316 1.00103.87 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 .Ξ25 1.00 97.89 MOL2 N ATOM 5269 CA GLNC 124 -15.059 -17,460 -44.212 1.00101.57 MOL2 C ATOM 5270 CB GLNC 124 -14.358 -18.771 -43.837 1.00105.91 KOL2 C ATOM 5271 CG GLN C 124 -15.008 -20.006 -44.441 1.00107.01 MOL2 C ATOM 5272 CD GLN C 124 -14.364 -21.295 -43 .978 1.00103.71 MOL2 C ATOM 5273 OE1 GLN C 124 -14.499 -22.331 -44.631 1.00101.30 M0L2 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 M0I>2 C ATOM 5276 O GLN C 124 -17.417 -17.669 -44.677 1.00 94.72 MOL2 0 ATOM 5277 N LEU C 125 -16.750 -17.544 -42.514 1.00100.90 MOL2 N ATOM 5278 CA LEU C 125 -18.077 -17.616 -41.919 1.00105.80 MOL2 C ATOM 5279 CB LEU C 125 -18.006 -17.163 -40.460 1.00107.11 MOL2 C ATOM 5280 CG LEU C 125 -17.051 -17.885 -39.509 1.00112.14 MOL2 C ATOM 5281 CDl LEU C 125 -16.864 -17.060 -38.238 1.00111.82 MOL2 C ATOM 5282 CD2 LEU C 12S -17.602 -19.270 -39.189 1,00113.IB MOL2 C ATOM 5283 C LEU C 125 -19.037 -16.693 -42.655 1,00109.20 MOL2 C ATOM 5284 O LEU C 125 -20.187 -17.050 -42.942 1.00109.87 ΜΟΙι2 O ATOM 5285 N THR C 126 -18.553 -15.488 -42.939 1.00110.02 MOL.2 N

ATOM 5286 CA THR C 126 -19.352 -24.487 -43.627 1.00110.15 MOL2 C

ATOM 5287 CB THR C 126 -18.690 -13.090 -43.555 1.00111.30 M0L2 C ATOM 5288 OG1 THR C 126 -17.549 -13.055 -44.421 1.00116.23 M0L2 0

ATOM 5288 CG2 THR C 126 -18.240 -12.781 -42.125 1.00110.60 M0L2 C

ATOM 5290 C THR C 126 -19.519 -14.880 -45.089 1.00111.30 M0L2 C

ATOM 5291 O THR C 126 -19.216 -14.096 -45.991 1.00113.98 M0L2 O

ATOM 5292 N EER C 127 -19.993 -16.101 -45.316 1.00110.58 M0L2 H

ATOM 5293 CA SER C 127 -20.208 -16.602 -46.668 1.00111.26 MOL2 C

ATOM 5294 CB SER C 127 -18.870 -16.820 -47.385 1.00115.20 M0L2 C

ATOM 5295 OG SER C 127 -19.073 -17.129 -48.757 1.00114.55 MOL2 O

ATOM 5296 C SER C 127 -20.980 -17.910 -46.610 1.00110.60 M0L2 C

ATOM 5297 O SER C 127 -21.007 -18.672 -47.580 1.00110.21 MOL2 O

ATOM 5298 N GLY C 12B -21.600 -18.166 -45.461 1.00109.69 MOL2 N

ATOM 5299 CA GLY C 128 -22.384 -19.379 -45.292 1.00110.41 MOL2 C

ATOM 5300 C GLY C 128 -21.583 -20.668 -45.338 1.00108.79 MOL2 C

ATOM 5301 O GLY C 128 -22.125 -21.751 -45.585 1.00107.03 MOLQ O

ATOM 5302 N GLY C 129 -20.2B3 -20.556 -45.098 1.00106.35 MOL2 N

ATOM 5303 CA GLY C 129 -19.442 -21.734 -45.117 1.00104.12 MOL2 C

ATOM 5304 C GLY C 129 -18.409 -21.660 -44.017 1.00102.84 M0L2 C

ATOM 5305 O GLY C 129 -18.098 -20.564 -43.523 1.00 96.92 M0L2 O

ATOM 5306 H ALA C 130 -17,885 -22.827 -43.634 1.00102.40 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 1.00102.42 M0L2 C

m ATOM 5309 C ALA C 130 -16.077 -24.222 -42.702 1.00 93.42 M0L2 C

ATOM 5310 O ALA C 130 -16.649 -25.302 -42.884 1.00 89.92 M0L2 O

ATOM 5311 N SER C 131 -14.756 -24.108 -42.607 1.00 89.44 MOL2 N

ATOM 5312 CA EER 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 M0L2 O

ATOM 5315 C SER C 131 -12.903 -25.319 -41.542 1.00 78,50 M0L2 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 M0L2 N

ATOM 5318 CA VAL C 132 -11.783 -26.644 -39.878 1.00 74.12 M0L2 C

ATOM 5319 CB VAL C 132 -12.332 -27.379 -38.674 1.00 76.94 MOL2 C

ATOM 5320 CGI VAL C 132 -11.266 -27.399 -37.588 1.00 73.30 M0L2 C

ATOM 5321 CG2 VAL C 132 -13.578 -26.684 -38.170 1.00 80.37 M0L2 C

ATOM 5322 C VAL C 132 -10.586 -27.400 -40.411 1.00 72.25 MQL2 C

ATOM 5323 O VAL C 132 -10.688 -28,531 -40.890 1.00 66.86 M0L2 O

ATOM 5324 N VAL C 133 -9.441 -26.746 -40.331 1.00 72.51 M0L2 N

ATOM 5325 CA VAL C 133 -8.217 -27.310 -40.840 1.00 71.90 MOB2 C

ATOM 5326 CB VAL C 133 -7.479 -26.261 -41.712 1.00 70.60 MOL2 C

ATOM 5327 CGI 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 ΒΓ

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 M0L2 S

ATOM 5337 N PHE C 135 -3.439 -29.612 -39.365 1.00 70.18 MOL2 W

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 -23.679 -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 -42.1B5 1.00 83.39 M0L2 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 Ο EHE 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 -33.615 -39.139 1.00 63.06 MOL2 C ATOM S350 CE LEU C 136 -0.717 -34.401 -39.409 1.00 01.67 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 -34.03B -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 M0L2 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 M0L2 C ATOM 5360 ODl ASN C 137 2.040 -29.702 -41.373 1.00 79.28 MOL2 0 ATOM 5361 ND2 ASN C 137 2,306 -28.536 -39.470 1.00 77.18 M0L2 N ATOM 5362 C ASN C 137 4.632 -32.663 -39.451 1.00 64.01 MOL2 C ATOM 5363 0 ASN C 137 4.753 -33.048 -3B.291 1.00 67.80 MOL2 0 ATOM 5364 N ASN C 138 S.531 -32.865 -40.402 1.00 64.58 M0L2 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 ODl 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 M0L2 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 5S.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 M0L2 C ATOM S380 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 KOL2 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 0 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 M0L2 N ATOM 5396 CD PRO C 141 6.842 -44.281 -39.555 1.00 46.87 M0L2 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 MOL.2 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 Ξ.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 -4Ξ.488 1.00 68.52 KOL2 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 -4B.198 1.00 98.10 MOL2 C ATOM 5408 NZ LYS C 142 4.341 -45.622 -47.914 1.00102.50 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.S14 -43.612 -43.302 1.00 60.86 MOL2 N ATOM 5412 CA ASP C 143 1.302 -44.156 -42.968 1.00 65.49 MOL2 C ATOM 5413 CB SS? C Í43 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 M0L2 C ATOM 5415 OD1 ASP C 143 1.239 -46.356 -45.150 1.00102.89 KOL2 0

ATOM 5416 OD2 ASP C 143 3.125 -46.752 -44.080 1.00107.17 M0L2 O

ATOM 5417 C ASP C 143 0.824 -43.535 -41.674 1.00 64.02 KOL2 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 NOL2 C

ATOM 5421 CE 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 CGI ILE C 144 -0.771 -40.168 -39.093 1.00 48.15 MOL2 C

ATOM 5424 CD1 ILE C 144 -0.1Ξ1 -38.833 -38.788 1.00 47.62 MGL2 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 ASM C 145 -3.093 -41.926 -39.714 1.00 68.11 MOL2 N

ATOM 5428 CA ASM 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 ASNC 145 -6.573 -43.397 -39.768 1.00100.33 MOL2 C

ATOM 5431 OD1 ASN C 145 -7.015 -43.141 -40.894 1.00108.69 MOL2 O

ATOM 5432 ND2 ASN C 145 -7.353 -43.782 -38.757 1.00104.92 M0L2 H

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 -38.098 -39.012 1.00 77.82 MOL2 C

„ ATOM 5437 CB VAL C 146 -5,609 -37.632 -39.8B4 1.00 75.85 MOL2 C

ATOM 5438 CGI 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 -39.035 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 -37.5B3 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 1.00100.75 MOL2 C

ATOM 5446 CD LYS C 147 -11.402 -41.970 -36.B54 1.0D106.03 MOL2 C

ATOM 5447 CE LYS C 147 -12.371 -43.079 -36.418 1.00106.05 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 -IQ.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 -10.910 -31.469 -37.576 1.00 77.16 MOL2 C

ATOM 5462 CH2 TRP C 148 -10.052 -31.146 -38.526 1.00 80.07 MOL2 C

ATOM 5463 C TRP C 148 -13.662 -36.422 -35.978 1.00 86.B6 MOL2 C

ATOM 5464 O TRP C 148 -14.372 -37.429 -36.105 1.00 86.90 M0L2 O

ATOM 5465 N LYS C 149 -13.851 -35.532 -35.005 1.00 98.93 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 -34.40B -33.576 1.00 91.10 MOL2 C ATOM 5473 0 LYS C 149 -15.070 -33.467 -33.120 1.00 B8.06 MOL2 0

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 G 150 -18.145 -32.293 -36.070- 1.00 82.58 »14 C ATOM 5478 CGI 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 -36.520 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 M0L2 N ATOM 5483 CA ASP C 151 -19-063 -33.075 -30.12B 1.00103.28 MOL2 C ATOM 5484 CB ASP C 151 -20.524 -32.594 -30.198 1.00115.41 MOL2 C ATOM 5485 CG ASP 0 151 -20.695 -31.151 -29.712 1.00123.70 MOL2 C ATOM 5486 OD1 ASP C 151 -20.264 -30.842 -28.575 1.00125.67 M0L2 O ATOM 5487 0D2 ASP C 151 -21.266 -30.331 -30.463 1.00127.57 MOL2 O ATOM 5488 C ASP C 151 -19.004 -34.541 -29.673 1.00102.98 M0L2 C ATOM 5489 O ASP C 151 -19.953 -35.064 -29,070 1.00103.40 M0L2 O ATOM 5490 M GLY C 152 -17.886 -35.203 -29.968 1.00 99.06 M0L2 N ATOM 5491 CA GLY C 152 -17.721 -36.583 -29.544 1.00 96.11 M0L2 C ATOM 5492 C GLY C 152 -17.970 -37.689 -30.553 1.00 94.54 M0L2 C ATOM 5493 O GLY C 152 -17.555 -38.829 -30.333 1.00 95.10 M0L2 O ATOM 5494 N SER C 153 -18.648 -37.382 -31.651 1.00 93.68 M0L2 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 1.00102.40 M0L2 C ATOM 5497 OG SER C 153 -20.879 -37.091 -33.319 1.00104.42 M0L2 0 ATOM 5498 C SER C 153 -18.011 -38.290 -33.891 1.00 98.07 M0L2 C ATOM 5499 O SER C 153 -17.672 -37.193 -34.351 1.00 94.93 M0L2 O ATOM 550 D N GLU C 154 -17.621 -39,448 -34.412 1.00 99. SO MOL2 N ATOM 5501 CA GLU C 154 -16.760 -39.555 -35.586 1.00101.67 MOL2 C ATOM 5502 CB GLU C 154 -16.365 -41.028 -35.789 1.D0112.22 MOL2 C ATOM 5503 CG GLU C 154 -17.573 -41.987 -35.942 1.00122.85 MOL2 C ATOM 5504 CD GLU C 154 -17.182 -43.460 -36.123 1.00128.93 MOL2 C ATOM 5505 OE1 GLU C 154 -IB. 094 -44.311 -36.263 1.00128.05 M0L2 O ATOM 5506 OE2 GLU C 154 -15.969 -43,768 -36.125 1.00132.10 MOL2 0 ATOM 5507 C GLU C 154 -17.422 -39.049 -36.867 1.00100.46 M0L2 C ATOM 550B O GLU C 154 -18.530 -39.473 -37.212 1.00 95.86 MOL2 O ATOM 5509 ΜΓ ARG C 155 -16.752 -38,147 -37.576 1.00101.89 M0L2 N ATOM 5510 CA ARG C 155 -17.303 -37.664 -38.B34 1.00104.81 M0L2 C ATOM 5511 CB ARG C 155 -17.558 -36.153 -38.794 1.00115.43 MOL2 C ATOM 5512 CG ARG C 155 -18.542 -35.687 -39.879 1.00124.32 MOL2 C ATOM 5513 CD ARG C 155 -19.678 -36.706 -40.048 1.00130.47 M0L2 C ATOM 5514 NE ARG C 155 -20.690 -36.285 -41.007 1.00133.53 M0L2 U ATOM 5515 CZ ARG C 155 -21.548 -37.114 -41.609 1.00135.26 MOL2 C ATOM 5516 NH1 ARG C 155 -21.503 -38.421 -41.360 1.00135.19 MOL2 N ATOM 5517 NH2 ARG C 155 -22.452 -36.636 -42.454 1.00132.94 MOL2 N ATOM 5518 C ARG C 155 -16.334 -38.018 -39.953 1.00102,03 M0L2 C ATOM 5519 O ARG C 155 -15.115 -37.886 -39.796 1.00100.80 MOL2 O ATOM 5520 N GLN C 156 -15.872 -38.496 -41.073 1.00 99.85 MOL2 N ATOM 5521 CA GLN C 156 -IS . 021 -3B.B70 -42.194 1.00102.60 MOL2 C ATOM 5522 CB GLN C 156 -16.088 -40.395 -42.429 1.00106.25 M0L2 C ATOM 5523 CG GLN C 156 -17.039 -40.858 -43.537 1.00113.94 M0L2 C ATOM 5524 CD GLN C 156 -16.388 -40.889 -44.922 1.00117.43 MOL2 C ATOM 5525 OE1 GLN C 156 -17.072 -41.043 -45.941 1.00117,35 M0L2 O ATOM 5526 NE2 GLN C 156 -15.063 -40.756 -44.960 1.00120.20 MOL2 N ATOM 5527 C GLN C 156 -16.382 -38.098 -43.471 1.00101.69 MDL2 C ATOM 5528 O GLN C 156 -15.495 -37.649 -44.211 1.00102.59 M0L2 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 -10.057 -37.207 -44.936 1.00 98.32 MOL2 C ATOM 5531 CB ASN C 157 -19.551 -37.377 -45.217 1.00105.31 MOL2 C ATOM 5532 CG ASN C 157 -19.926 -38.823 -45.526 1.00113.27 MOL2 C ATOM 5533 OD1 ASN C 157 -19.856 -39.694 -44.655 1.00119.33 MOL2 O ATOM 5534 ND2 ASN C 157 -20.320 -39.085 -46.771 1.00116.14 MOL2 N ATOM 5535 C ASN C 157 -17.679 -35.737 -44.852 1.00 96.79 M0L2 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 VSL C 15? -14.669 -34.629 -45.669 1.00 85.73 M0L2 »

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 CGI 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 GDI LED 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 M0L2 C

ATOM 5554 C LEU C 160 -9.037 -33.752 -47.190 1.00 79.38 MOL2 C

ATOM 5555 0 LEU C 160 -8.525 -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 -46.413 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 M0L2 O

ATOM 5564 N SER C 162 -4,714 -34.179 -47.960 1.00 66.45 MOL2 N

v 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 S569 O SER C 162 -2.013 -33.536 -47.228 1.00 75.21 MOL2 O

ATOM 5570 N TRP C 163 -1.4BS -35.060 -40.801 1.00 70.73 M0L2 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 M0L2 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 -4.515 -38.862 -47.472 1.00 87.30 MOL2 C

ATOM 5580 C23 TRP 0 163 -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. B16 -34.778 -50.319 1.00 65.33 MOL2 0

ATOM 55B4 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 55B6 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 0

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 M0L2 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 M0L2 C

ATOM 5594 CG ASP C 165 5.751 -36.151 -52.825 1.00103.78 MOL2 C

ATOM 5595 OD1 ASP C 165 5.047 -37.148 -52.521 1.00102.42 MOL2 O

ATOM 5596 OD2 ASP C 165 5.609 -35.502 -53.892 1.00113.76 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 0

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 0

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 gum C 166 10.872 -34.842 -49.426 1.00 73.54 MOL2 O ATOM 5608 H ASP C 157 9.980 -34,395 -47.423 1.00 65.97 MOL2 H ATOM 5609 CA ASP C 167 10.571 -33.069 -47.341 1.00 70.13 MOI.2 C ATOM 5610 CB ASP C 157 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 0 ATOM 5614 C ASP C 167 12.088 -33.127 -47.465 1.00 72.07 MOL2 C ATOM 5615 O ASE C 167 12.775 -33.505 -46.527 1.00 70.94 MOL2 0 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 16B 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 M0L2 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 1.00100.12 MOL2 C ATOM 5625 CG LYS C 169 14,461 -28.90B -45.715 1.00116.06 MOL2 C ATOM 5626 CD LYS C 169 13.644 -27.890 -44.907 1.00126.27 MOL2 C ATOM 5627 CE LYS C 169 13.220 -26.682 -45.747 1.00128.00 MOL2 C ATOM 562 8 NZ LYS C 169 12.23 7 -25.8 21 -45.023 1.00129.09 MOB2 H ATOM 5629 C LYS C 169 15.571 -32.482 -44.677 1.00 90.77 MOL2 C ATOM 5630 0 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 IT ATOM 5632 CA ASF 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 0 ATOM 5636 0D2 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 M0L2 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 M0L2 N ATOM 5640 CA SER C 171 13.022 -36.553 -45.270 1.00 54.15 M0L2 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 0 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 M0L2 C ATOM 5651 0 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 MOI.2 H 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 MOI.2 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.OB 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 56.65 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 0 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 -45.563 1.00 49.82 MOL2 Cr

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. B3 MOL2 C

ATOM 5683 O SER C 176 -5.383 -31.908 -45.492 1.00 72.93 M0L2 O

ATOM 5684 ΚΓ 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 M0L2 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 M0L2 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

iH 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 36.77 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 75.3B 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.S74 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 M0L2 O

ATOM 5705 H THR C 180 -14.773 -29.707 -44.028 1.00 83.44 MOL2 N

ATOM 5706 CA THR C ISO -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 38.62 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 -43.585 1.00 95.28 MOL2 M

ATOM 5713 CA LEU C 181 -19.087 -28.100 -43.247 1.00100.5Ξ MOL2 C

ATOM 5714 CB LEU C 181 -19.253 -28.373 -41.744 1.00101.03 MOL2 C

ATOM 5715 CG LEU C 181 -13.023 -28.175 -4 0.848 1.00101.25 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 -2B.825 -39.491 1.00 97.16 MOL2 C

ATOM 5718 C LEU C 181 -19.816 -26.819 -43.671 1.00104.10 MOL2 C

ATOM 5719 O LEU C 181 -19.203 -25.888 -44.214 1.00102.19 MOL2 O

ATOM 5720 H THR C 182 -21.129 -26.786 -43.463 1.00108.71 MOL2 N

ATOM 5721 CA THR C 182 -21.913 -25.604 -43.813 1.00111.41 MOL2 C

ATOM 5722 CB THR C 182 -23.308 -25.961 -44.372 1.00113.22 MOL2 C

ATOM 5723 OG1 THR C 182 -24.150 -26.433 -43.309 1.00114.49 MOL2 O

ATOM 5724 CG2 THR C 182 -23.183 -27.028 -45.453 1.00111.82 MOL2 C

ATOM 5725 C THR C 182 -22,103 -24.784 -42.546 1.00112.00 MOL2 C

ATOM 5726 O THR C 182 -22.343 -25.336 -41.471 1.00111.30 MOL2 O

ATOM 5727 N LYS C 183 -21.985 -23.469 -42.672 1.00113.84 MOL2 N

ATOM 5728 CA LYS C 183 -22.141 -22.578 -41.528 1.00116.17 MOL2 C

ATOM 5729 CB LYS C 183 -22.474 -21.164 -42,017 1.00122.32 MOL2 C

ATOM 5730 CG LYS C 183 -22.940 -20.217 -40.928 1.00127.78 MOL2 C

ATOM 5731 CE LYS C 183 -22.291 -18.853 -41.076 1.00133.45 MOL2 C

ATOM 5732 CE LYS C 183 -20.832 -18.885 -40.633 1.00134.43 MOL2 C

ATOM 5733 M2 LYS C 183 -19.983 -19.798 -4-1.448 1.00135.94 MCTLZ W

ATOM 5734 C LX'S C 133 -23.223 -23.058 -40.560 1.00114.83 MOL2 C ATOM 5735 O LYS C 133 -23.110 -22.B79 -39.343 1.00114.09 MOB2 0 ATOM 5736 N ASP C 134 -24.256 -23.673 -41.110 1.00112.78 MOL2 IT ATOM 5737 CA ASP C 184 -25.374 -24.171 -40.302 1.00111.31 KOL2 C ATOM 5738 CB ASP C 184 -26.502 -24.691 -41,212 1,00122.40 MOL2 C ATOM 5739 CG ASP C 184 -26.976 -23.645 -42,228 1.00129.47 MOL2 C ATOM 5740 OD1 ASP C 184 -27.293 -22.503 -41.819 1.00130.84 M0L2 0 ATOM 5741 OD2 ASP C 184 -27.038 -23.972 -43.437 1.00131.20 MOL2 0 ATOM 5742 C ASP C 184 -24.913 -25.278 -39.357 1.00105.04 MOL2 C ATOM 5743 O ASP C 184 -24.942 -25.108 -38.133 1.00 99.16 M0L2 0 ATOM 5744 N GLU C 185 -24.494 -26.402 -39.942 1.00100.32 MOL2 N ATOM 5745 CA GLU C 185 -24.010 -27.568 -39.197 1.00 97.52 M0L2 C ATOM 5746 CB GLU C 185 -23.495 -28.630 -40.172 1.00103.77 M0L2 C ATOM 5747 CG GLU C 185 -24.525 -29.640 -40.672 1.00114.23 MOL2 C ATOM 5748 CD GLU C 185 -24.581 -30.906 -39.817 1.00120.06 MOL2 C ATOM 5749 OE1 GLU C 135 -25.092 -31.93 8 -4 0.314 1.0 0119.6 7 MOL2 O ATOM 5750 OE2 GLU C 185 -24.122 -30.871 -38.651 1.00121.57 M0L2 O ATOM 5751 C GLU C 185 -22.890 -27.214 -38.215 1.00 93.65 MOL2 C ATOM 5752 0 GLU C 185 -22.768 -27.818 -37.143 1.00 89.39 M0L2 O ATOM 5753 N TYR C 186 -22.061 -26.243 -38.585 1.00 91.15 MOL2 N ATOM 57E4 CA TYR C 186 -20.969 -25.846 -37.712 1.00 90.99 M0L2 C ATOM 5755 CB TYR C 186 -20-048 -24.823 -38.383 1.00 93.51 M0L2 C ATOM 5756 CG TYR C 186 -19.012 -24.246 -37.436 1.00 93.52 MOL2 C ATOM 5757 CD1 TYR C 136 -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 M0L2 C ATOM 5760 CE2 TYR C 186 -16.765 -24.179 -36.568 1.00 96.25 M0L2 C ATOM 5761 CZ TYR C 186 -17.142 -23.240 -35.637 1.00 94.84 M0L2 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 M0L2 C ATOM 5764 O TYR C 186 -20.935 -25.479 -35.358 1.00 96.72 M0L2 O ATOM 5765 H 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 1.00104.73 M0L2 C ATOM 5768 CG GLU C 187 -23.687 -21.655 -36.637 1.00111.79 PI0L2 C ATOM 5769 CD GLU C 187 -22.778 -20.739 -35.820 1.00118.04 MOL2 C ATOM 5770 OE1 GLU C 187 -22.470 -19.630 -36.312 1.00117.06 M0L2 O ATOM 5771 OE2 GLU C 187 -22.365 -21,120 -34.699 1.00121.68 M0L2 O ATOM 5772 C GLU C 187 -23.935 -24.864 -34.424 1.00 95.32 I40L2 C ATOM 5773 O GLU C 187 -23.872 -24.713 -33.198 1.00 85.41 MOL2 0 ATOM 5774 W ARG C 188 -24.597 -25.864 -35.016 1.00 97.41 M0L2 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 1.00104.21 M0L2 C ATOM 5778 CD ARG C 188 -27.252 -28.208 -37.392 1.00112.70 MOL2 C ATOM 5779 NE ARG C 188 -27.661 -27.498 -38.604 1.00122.18 MOL2 N ATOM 5780 CZ ARG C 1B8 -27.990 -28.087 -39.751 1.00124.20 MOL2 C ATOM 5781 HH1 ARG C 188 -27,962 -29.409 -39.848 1.00126.54 MOL2 N ATOM 5782 HH2 ARG C 1B8 -28.329 -27.352 -40.807 1.00121.65 MOL2 N ATOM 5783 C ARG C 188 -24.512 -27.634 -33.229 1.00100.68 M0L2 C ATOM 5784 O ARG C 188 -25.077 -28.256 -32.324 1.00101.42 M0L2 O ATOM 5785 N HIS C 189 -23.185 -27.571 -33.343 1.00100.30 MOL2 N ATOM 5785 CA HIS C 189 -22.310 -28.256 -32.390 1.00 97.49 M0L2 C ATOM 5787 CB HIS C 189 -21.672 -29.472 -33.055 1.00101.41 MOL2 C ATOM 5788 CG HIS C 189 -22.663 -30.382 -33.710 1.00105.48 MOL2 C ATOM 5789 CD2 HIS C 189 -23.194 -31.561 -33.30B 1.00106.26 M0L2 C ATOM 5790 MD1 HIS C 189 -23.243 -30.096 -34.929 1.00108.49 M0L2 M ATOM 5791 CE1 HIS C 189 -24.086 -31.061 -35.251 1.00109.87 MOL2 C ATOM 5792 NE2 HIS C 189 -24.075 -31.962 -34.285 1.00111.52 MOL2 N ATOM 5793 C HIS C 189 -21.234 -27.343 -31.802 1.00 96.73 M0L2 C ATOM 5794 0 HIS C 189 -20.976 -26.254 -32.321 1.00 94.15 MOL2 O ATOM 5795 N ASM C 190 -20.593 -27.793 -30.727 1.00 99.11 MOL2 N ATOM 5796 CA ASH C 190 -19.589 -26.967 -30.058 1.00106.33 MOL2 C ATOM- 5797 CB ASM C 190 -20.060 -26.674 -28.619 1.00110.99 MOL2 C

ATOM 5798 CG ASN C 190 -19.356 -25.466 -27.991 1.00128.44 MOL2 C

ATOM 5799 OD1 ASN C 190 -18.126 -25.435 -27.877 1.00132.56 MOL2 O

ATOM 5800 MD2 ASN C 190 -20.142 -24.470 -27.573 1.00130.77 M0L2 N

ATOM 5801 C ASN C 190 -18.143 -27.488 -30.031 1.00104.71 MOL2 C

ATOM 5802 O ASN C 190 -17.205 -26.711 -30.257 1,00102.41 M0L2 O

ATOM 5803 N SER C 191 -17.948 -28.779 -29.747 1.00102.86 MOL2 N

ATOM 5804 CA SER C 191 -16.588 -29.330 -29.688 1.00 98.88 M0L2 C

ATOM 5805 CB SER C 191 -16.441 -30.332 -28.521 1.00100.66 MOL2 C

ATOM 5806 OG SER C 191 -17.297 -31.457 -28.638 1.00102.00 M0L2 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 -14.398 -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 CS TYR C 192 -14.210 -28.977 -33.670 1.00 98.25 M0L2 C

ATOM 5812 CG TYR C 192 -15.552 -28.622 -34.269 1.00102.09 M0L2 C

ATOM 5813 CD1 TYR C 192 -15.94B -27.297 -34.397 1.00101,80 M0L2 C

ATOM 5814 CE1 TYR C 192 -17.182 -26.971 -34.932 1.00105.33 MOL2 C

ATOM 5815 CD2 TYR C 192 -16.431 -29.619 -34.698 1.00100.60 MOL2 C

ATOM 5816 CE2 TYR C 192 -17.665 -29.300 -35.237 1.00101.03 MOL2 C

ATOM 5817 CZ TYR C 192 -18.037 -27.975 -35.352 1.00104.61 MOL2 C

ATOM 5818 OH TYR C 192 -19.262 -27.644 -35.894 1.00103.77 MOL2 O

ATOM 5819 C TYR C 192 -12.898 -30.535 -32.334 1.00 92.21 M0L2 C

ATOM 5820 O TYR C 192 -12.010 -29.911 -31.862 1.00 91.97 MOL2 O

H MOM 5821 N THR C 193 -12.714 -31.916 -32.633 1.00 87.96 M012 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 M0L2 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 M0L2 C

ATOM 5826 C THR C 193 -10.875 -33.237 -33.628 1.00 85.96 M012 C

ATOM 5827 O THR C 193 -11.606 -33.720 -34.496 1.00 80.74 M0L2 O

ATOM 5828 N CYS C 194 -9.552 -33.281 -33.680 1.00 88.35 M0L2 N

ATOM 5829 CA CYS C 194 -8.835 -33.903 -34.778 1.00 S6.66 M0L2 C

ATOM 5830 C CYS C 194 -7.866 -34.866 -34.096 1.00 85.37 MOL2 C

ATOM 5B31 O CYS C 194 -6.920 -34.446 -33.421 1.00 84.98 M0L2 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 M0L2 S

ATOM 5B34 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 1S5 -8.159 -38.157 -32.783 1.00 94.33 MOL2 C

ATOM 5837 CG GLU C 195 -9.060 -37.488 -31.737 1.00104,52 MOL2 C

ATOM 5B38 CD GLU C 195 -9.777 -38.477 -30.816 1.00110.31 MOL2 C

ATOM 5839 OE1 GLU C 195 -10.283 -39.511 -31.312 1.00115.56 M0L2 O

ATOM 5840 OE2 GLU C 195 -9.848 -38.209 -29.594 1.00111.25 M0L2 O

ATOM 5841 C GLU C 195 -6.425 -37.930 -34.576 1.00 82.75 M0L2 C

ATOM 5842 O GLU C 195 -6.911 -38.637 -35.471 1.00 77.51 M0L2 O

ATOM 5343 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 M0L2 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 S849 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 64.99 MOL2 C

ATOM 5351 OG1 THR C 197 -4.013 -44.073 -33.746 1.00 72.06 M0L2 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 M0L2 C

ATOM 5854 O THR C 197 -1.904 -42.476 -36.866 1.00 54,75 MOL2 O

ATOM 5Β5Ξ N HIS C 198 -0.7.29 -42.616 -34.955 1.00 66.83 MOL2 N

ATOM 5855 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 M0L2 C

ATOM 5858 CG HIS C 198 2.485 -41.593 -36.668 1.00 63.38 M0L2 C

ATOM 5B59 CD2 HIS C 198 3.754 -41.223 -36.417 1.00 60.84 MOL2 C

ATOM 5B60 MD1 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 e ATOM 5862 NE2 HIS C 198 4.480 -41.432 -37.570 1.00 60.65 MOL2 Μ ATOM 5863 C HIS C 198 1.449 -43.895 -34.909 1.00 63.67 M0L2 C ATOM 5864 0 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 H 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 5B71 ΚΓΖ 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 M THR C 200 4.173 -44.012 -33.980 1.00 47.42 MOL2 Kf 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 M0L2 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 M0L2 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 -30.0B4 1.00 68.79 MOL2 C ATOM 5886 O SER. C 201 0.698 -45.002 -31.124 1.00 71.76 MOL2 0 ATOM 5887 N THR C 202 0.981 -45.301 -28.902 1.00 71.34 MOL2 H 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 -43.029 -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 6 8.75 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 7B.78 M0L2 C ATOM 5897 OG SER C 203 -0.582 -42.302 -25.977 1.00 74.75 M0L2 O ATOM 5898 C SER C 203 -2.184 -41.999 -28.62a 1.00 73.19 MOL2 C ATOM 5899 O SER C 203 -1.217 -41.237 -28.701 1.00 72.48 M0L2 O ATOM 5900 ST PRO C 204 -3.283 -41.869 -29.405 1.00 74.35 MOI.2 M ATOM 5901 CD PRO C 204 -4.374 -42.866 -2S .369 1.00 74.62 MQL2 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 M0L2 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 M0L2 C ATOM 5906 O PRO C 204 -3.640 -39.063 -28.858 1.00 72.58 MOL.2 O ATOM 5907 N XLE C 205 -2.713 -38.628 -30.874 1.00 70.09 MOL.2 N ATOM 5908 CA ILB C 205 -2.458 -37.225 -30.570 1.00 71.17 M0332 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 -3S.133 -31.230 1.00 64.64 MOL2 C ATOM 5911 CGI 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 M0L2 N ATOM 5916 CA VAL C 206 -5.593 -35.160 -30.060 1.00 81.99 M0L2 C ATOM 5917 CB VAL C 206 -6.659 -35.771 -29.128 1.00 76.92 M0L2 C ATOM 5918 CGI VAL C 206 -8.023 -35.259 -29.506 1.00 83.47 M0L2 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 -29.017 1.00 87.24 M0L2 C ATOM 5921 O VAL C 206 -4.991 -33.194 -28.790 1.00 SB.17 M0L2 0 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 CQ- LY& C 207- -3.610--31.037 - 31.305 1.00 90-.37 MDL.2-e

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 0 LYS C 207 -B.lll -31.550 -31.329 1.00 90.15 M0L2 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 M0L2 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 1.00104.94 MOL2 N

ATOM 5938 CA PHE C 209 -11.165 -26.331 -29.78S 1.00112.91 M0L2 C

ATOM 5939 CB PHE C 209 -10.646 -25.379 -30.867 1.00119.37 MOL2 C

ATOM 5940 CG PHE C 209 -11.603 -25.205 -32.013 1.00125.03 MOL2 C

ATOM 5941 CD1 PHE C 209 -12.188 -23.975 -32.261 1.00127.55 MOL2 C

ATOM 5942 CD2 PHE C 209 -11.974 -26.289 -32.796 1.00127.39 MOL2 C

ATOM 5943 CE1 PHE C 209 -13.128 -23.832 -33.264 1.00132.81 MOL2 C

ATOM 5944 CE2 PHE C 209 -12.913 -26.151 -33.798 1.00131.06 MOL2 C

ATOM 5945 CZ PHE C 209 -13.492 -24.924 -34.033 1.00134.21 MOL2 C

ATOM 5946 C PHE C 209 -12.692 -26.208 -29.732 1.00116.65 MOL2 C

ATOM 5947 O PHE C 209 -13.413 -26.882 -30.486 1.00114,04 MOL2 O

ATOM 5948 N ASN C 210 -13.179 -25,343 -28.843 1.00119,28 MOL2 N

M ATOM 5949 CA ASN C 210 -14.613 -25.107 -28.715 1.00122.10 MOL2 C

ATOM 5950 CB ASNC 210 -15.063 -25.285 -27.266 1.00122.85 MOL2 C

ATOM 5951 CG ASNC 210 -15.326 -26.733 -26.920 1.00124.32 MOL2 C ATOM 5952 OD1 ASN C 210 -16.123 -27.399 -27.580 1.00120.86 MOL2 0

ATOM 5953 ND2 ASN C 210 -14.659 -27.229 -25.884 1.00126.41 MOL2 N

ATOM 5954 C ASNC 210 -14.945 -23.697 -29.188 1.00125,34 MOL2 C ATOM 5955 0 ASM C 210 -14.053 -22.852 -29.316 1.00124.68 MOL2 0

ATOM 5956 N ARG C 211 -16.228 -23.448 -29.445 1.00130.51 M0L2 N

ATOM 5957 CA ARG C 211 -16.687 -22.137 -29.905 1.00135.75 MOL2 C

ATOM 5958 CB ARG C 211 -18.032 -22.273 -30.626 1.00135.55 MOL2 C

ATOM 5959 CG ARG C 211 -18.058 -23.334 -31.715 1.00138.83 MOL2 C

ATOM 5960 CD ARG C 211 -19.445 -23.492 -32.338 1.00143.96 MOL2 C

ATOM 5961 NE ARG C 211 -20.477 -23.824 -31.355 1.00150.84 MOL2 N

ATOM 5962 CZ ARG C 211 -21.122 -22.932 -30.603 1.00156.30 MOL2 C

ATOM 5963 NH1 ARG C 211 -20.850 -21,638 -30.717 1.00159,23 MOL2 N

ATOM 5964 NH2 ARG C 211 -22.037 -23.334 -29.727 1.00157.52 MOL2 N

ATOM 5965 C ARG C 211 -16.825 -21.130 -28.756 1.00141.28 MOL2 C

ATOM 5966 O ARG C 211 -17.563 -21.351 -27.787 1.00138.31 MOL2 O

ATOM 5967 N ASNC 212 -16.102 -20.022 -28.893 1.00149.64' MOL2 N

ATOM 5968 CA ASN C 212 -16.077 -18.930 -27.925 1.00157.26 M0L2 C

ATOM 5969 CB ASN C 212 -14.645 -18.774 -27.385 1.00158,65 MOL2 C

ATOM 5970 CG ASNC 212 -13.580 -18.869 -28.491 1.00160.07 MOL2 C

ATOM 5971 OD1 ASN C 212 -13.470 -17.989 -29.352 1.00159.67 M0L2 O

ATOM 5972 MD2 ASN C 212 -12.799 -19.947 -28.468 1.DG157.43 M0L2 N

ATOM 5973 C ASN C 212 -16.525 -17.643 -28.633 1.00162.36 M0L2 C

ATOM 5974 O ASN C 212 -17.142 -16.760 -28.027 1.00162.64 MOL2 O

ATOM 5975 N GLU C 213 -16.193 -17.561 -29.923 1.00168.08 M0L2 N

ATOM 5976 CA GLU C 213 -16,534 -16.432 -30.794 1.00172.24 M0L2 C

ATOM 5977 CB GLU C 213 -18.060 -16.334 -30.957 1.00174.81 M0L2 C

ATOM 5978 CG GLU C 213 -18.588 -16.676 -32.363 1.00178.79 MOL2 C

ATOM 5979 CD GLU C 213 -18.485 -18.160 -32.725 1.00180.90 MOL2 C

ATOM 5980 OE1 GLU C 213 -19.059 -18.999 -31.995 1.00182.92 M0L2 O

ATOM 5981 OE2 GLU C 213 -17.840 -18.486 -33.748 1.00179.09 MOL2 O

ATOM 5982 C GLU C 213 -15.981 -15.067 -30.379 1.00173.25 MOL2 C

ATOM 5983 O GLU C 213 -16.527 -14.402 -29.499 1.00173.91 MOL2 O

ATOM 5984 N CYS C 214 -14.900 -14.653 -31.034 1.00174.34 MOL2 N

ATOM 5985 CA CYS C 214 -14.271 -13.364 -30.765 1.D0176.87 MOL2 C

ATOM 5986 CB CYS C 214 -13.684 -13.328 -29.352 1.00177.45 MOL2 C

ATOM 5987 SG CYS C 214 -14.578 -12.272 -28-158 1.00178.63 MOL2 S

ATOM 598B C CYS C 214 -13.166 -13.089 -31,782 1.00177.57 MOL2 C ATOM- 5989 O CYS C 214 -12-.996 -13.915 -32.703 1.00177.03 MOL2 O- ATOM 5990 OXT CYS C 214 -12,435 -12.0S1 -31,648 1.00173.26 MOL2 O ATOM 5991 CB GLU D 1 22.314 -35.760 -79.347 1.00 84.87 MQL2 C ATOM 5992 CG GLU D 1 22.427 -35.327 -80.787 1.00101.66 KOL2 C ATOM 5993 CD GLU D 1 23.307 -35.500 -81.745 1.00109.46 MGL2 C ATOM 5994 OE1 GLU D 1 23.251 -35.754 -82.981 1.00102.99 M0L2 O ATOM 5995 OE2 GLU D 1 24.058 -34.614 -81,266 1,00111.21 KQL2 O ATOM 5996 C GLU D 1 19.956 -35.196 -79.380 1.00 69.87 MOL2 C ATOM 5997 0 GLU B 1 19.881 -35.063 -81.098 1.00 75.70 MOL2 O ATOM 5998 N GLU D 1 2D. 944 -34.490 -77,692 1.00 75.00 MGL2 N ATOM 5939 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 MGL2 N ATOM 6001 CA VAL B 2 17,762 -36.194 -79,327 1.00 55.58 S4QL2 C ATOM 6002 CB VAL D 2 17.566 -37.689 -79,628 1.00 47.21 M0B2 C ATOM 6003 CGI VAL B 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 M0L2 C ATOM 6005 C VAL D 2 16.514 -35.503 -79.331 1.00 60.47 M0L2 C ATOM 6006 O VAL D 2 15.623 -36.155 -78.805 1.00 66.99 MQL2 O ATOM 6007 N GLN D 3 16.439 -34.192 -79.527 1,00 62.47 E40L2 N ATOM 6008 CA GLH D 3 15.305 -33.390 -79.073 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 1.00104.39 KGL2 C ATOM 6012 OE1 GLN D 3 18.353 -29,614 -79.949 1.00112.27 MOL2 O ATGM 6013 NE2 GLN D 3 16.126 -29.334 -80.186 1.00106.58 KGL2 N ATOM 6014 C GUS D 3 13.911 -33.840 -79.546 1.00 52.32 M0L2 C ATOM 6015 O GLN D 3 13.716 -34.239 -00.690 1.00 46.30 MGL2 O ATOM 6016 N LEU D 4 12.351 -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 MGL2 c ATOM 6018 CB LEU D 4 11.184 -35,486 -78.423 1.00 36.42 KOL2 C ATOM 6019 CG LEU D 4 11.126 -36.543 -79.515 1.00 40.93 MQL2 C ATOM 6020 CD1 LEU D 4 12.450 -36.560 -80.210 1.00 48.51 M0L2 C ATOM 6021 CD2 LEU D 4 10.802 -37.918 -7B.347 1.00 37.15 MQL2 C ATOM 6022 C LEU D 4 10.784 -33.048 -78.095 1.00 51.22 KSOL2 C ATOM 6023 O LEU D 4 11.038 -32.902 -76.885 1.00 57.44 MQL2 G ATOM 6024 N VAL D 5 9.393 -32.291 -78.742 1.00 48.35 MGL2 N ATOM 6025 CA VAL D 5 9.128 -31,282 -78.008 1.00 48.38 E*5L2 C ATOM 6026 CB VAL D 5 9.726 -29.864 -78.176 1.00 39.25 M0L2 C ATOM 6027 CGI VAL D 5 11.212 -29.956 -78.478 2.00 29.62 MQL2 C ATOM 6028 CG2 VAL D 5 8.995 -29.114 -79.250 1.00 51.89 MGL2 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 6.312 -31.418 -77.363 1.00 56.64 MGL2 N ATOM 6032 CA GLU D 6 5,379 -31.428 -77,570 1.00 62.34 M0L2 C ATOM 6033 CB GLU D g 4.720 -32,458 -76.657 1.00 65-34 MOL2 C ATOM 6034 CG GLU D 6 5.275 -33.857 -75.832 1.00 74.88 1*50132 C ATOM 6035 CD GLU D 6 S.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 OÉ2 GLU D 6 6,203 -35 .426 -75.307 1.00 82.65 MOL2 O ATOM 6038 C GLU D Ç 4.803 -30.044 -77.313 1.Q0 66.15 M0L2 C ATOM 6039 Q GLU D S 5.439 -29.IB? -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 ΞΕΚ D 7 2.930 -28.549 -77.691 1.00 70.93 MODS C ATOM 6042 CB SEE D 7 3.601 -27.436 -73.574 1,00 74.24 MOL2 C ATOM 6043 OG SEE D 7 4.164 -28.060 -79.748 1.00 77.33 MQL2 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 M0L2 0 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 -77.9Q1 1.00 81.67 MOL2 C ATOM 6048 C GLY D 8 -1.499 -28.062 -75.673 1.00 B3.23 KGL2 C ATOM 6049 O GLY D 8 -2.624 -28.54? -76,769 1.00 83.26 MOL2 O ATOM 6050 N GLY D 9 -0,890 -27.852 -75.513 1.00 88.14 MOL5 N ATOM 6051 CA GLY B 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 B 9 -2.441 -25,995 -74.236 1,00 96.58 Μθίι2- &

ATOM 6054 N GLY Ώ 10 -3.443 -27.544 -72.926 1.00 95.77 MQL2 N

ATOM 6055 CA GLY D 10 -4.436 -26.621 -72.407 1.00 93.74 M0L2 C

ATOM 6056 C GLY D 10 -5.672 -27.331 -71.682 1.00 90.23 MOI.2 C

ATOM 6057 C SLY D 10 -5.716 -26.563 -71.621 1.00 87.47 MOL2 O

ATOM 6058 If Iffl'D 11 -6.681 -26.549 -71.513 1.00 87.23 M0L2 N

ATOM 6059 CA LEU D 11 -7,929 -27.063 -7D.S7S 1.00 85.72 MQL2 C

ATOM 6060 CB LEU I? 11 -8,429 -26.209 -69.B2S 1.00 86.17 MOL2 C

ATOM 6061 CG LEU D 11 -7.3S7 -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 P 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 El.34 M0L2 H ATOM €067 CA VAL D 12 -ll.OSO -27.851 -72.911 1,00 SO.17 MQL2 €

ATOM 6068 CB VAL D 12 -10.484 -28.360 -74.253 1.00 85.76 MOL2 C

ATOM 6069 CGI 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 VALE 12 -12.283 -28.644 -72.464 1.00 96.91 MQL2 C

ATOM 6072 O VAL D 12 -12.196 -29,827 -72.130 1.00100.56 MOL2 O

ATOM 6073 N GLM D 13 -13,428 -27.961 -72.442 1.00100.84 MOL2 H

ATOM 6074 CA Gffl 3 13 -14.702 -28.555 -72.036 1.00 99.10 MOL2 C

ATOM 6075 CB SL-N D 13 -15.880 -27.642 -72.450 1.00105.56 MGL2 C

ATOM 8076 CG 3LN £> 13 -15.513 -26.216 -72.931 1.00107.21 MQL2 C

. ATOM 6077 CD 3LH D 13 -15.442 -25.179 -71.807 1.00109.35 MOL2 C

ATOM 6078 OE1 GLM D 13 -16.437 -24.911 -71.125 1.00104.19 M0L2 O

ATOM 6079 NE2 GLN D 13 -14.263 -24 .S87 -71.619 1.00106.68 MOL2 N

ATOM 6080 C GLN D 13 -14.898 -29.935 -72.665 1.00 93.48 KQL2 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 -30.353 -71.922 1.00 92.73 MOL2 K

ATOM 5083 CD PRO O 3.4 -15.928 -30.745 -70.506 1.00 91.49 M0L2 C

ATOM 6084 CA PRO D 14 -15.766 -32.200 -72.448 1.00 93.50 M0L2 C

ATOM 6085 CB PRO D 14 -16.742 -32.769 -71.442 1.00 93.16 M0L2 C

ATOM 6086 CG PRO B 24 -16.228 -32.190 -70.136 1.00 96.15 M0L2 C

ATOM 6087 C PRO D 14 -16.32B -32.121 -73.861 1.C0 95.56 MOL2 C

ATOM 6088 O PRO Ώ 14 -16.834 -31,077 -74.278 1.00 95.24 M0L2 O

ATOM 6089 K GLY P IS -16.226 -33.218 -74,602 1.G0 99.20 K0L2 N

ATOM 6090 CS GLY D IS -16.714 -33.222 -7S.969 1.00100.83 J90L2 C

ATOM 6031 C GLYD 15 -15.B10 -32.426 -76.900 1.00101.96 MQL2 C

ATOM 6092 O GLY JD 15 -15.62B -32.314 -78.058 1.00105.17 MOL2 O

ATOM 6093 N GLY D 16 -15.244 -31.322 -76.399 1.00 97.91 MQL2 M

ATOM 6094 CA GLY D 16 -14.362 -30.485 -77.200 1.00 92.60 MOL2 C

ATOM 6095 C GLY B 16 -13.253 -31.244 -77.912 1.00 93.12 MDL2 C

ATOM 6096 □ GLY Ό 16 -13.158 -32.474 -77.809 1.00 94.06 MQL2 O

ATOM 6097 N SER D 17 -12.405 -30.519 -78.640 1.00 90.56 MQL2 H

ATOM 6098 CA SBR D 17 -11,305 -31.152 -79.3Ç8 1.00 88.06 MOL2 C

ATOM 6099 CB SBR D 17 -11.666 -31,329 -80.849 2.00 84.28 MOL2 C

ATOM 6100 OG SER D 17 -21.944 -32.S84 -81.155 1.00 71.92 MOL2 O

ATOM 6102 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 -79.244 1,00 82.24 MQL2 O

ATOM 6103 N LEU D 18 -8.839 -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 q ATOM 6105 CB LBO D 18 -6.970 -30.620 -77.901 1.00 78.94 MQL2 c

ATOM 6105 CG LEU D 18 -6.472 -29.234 -77.506 1.00 70.53 M0L2 C

ATOM 6107 CD1 LEO D 18 -5.626 -29.308 -76.241 1.00 74.08 MOL2 C

ATOM 6108 CD2 LEU D 18 -5.633 -28.658 -78.673 1.00 70.57 MOL2 C

ATOM 6109 C LSO D 18 -6.594 -31.357 -80.237 1.00 81.40 MOL2 C

ATOM 6110 O LSU D 18 -6.772 -32,557 -80.473 1.00 80.75 MOL2 O

ATOM 6111 TS ARG D 19 -5.597 -30.648 -80,757 1.00 79.15 MOB2 H

ATOM 6112 CA ARO D 19 -4,599 -31.241 -81.644 1.00 78.03 MOL2 C

ATOM 6113 CB AEG D 19 -4.670 -30.634 -83,039 1.00 78.17 MGL2 C

ATOM 6114 CG ARG P 19 -3.S3S -31.018 -83.949 1.00 65.90 MOL2 C

ATOM 6115 CD ARS P 19 -3.131 -29.824 -84.786 1.00 69.08 MGL2 C

ATOM 6116 NB ARG D 19 -2.427 -30.199 -S6.QQ5 1.00 74.67 MGL2 N ftTOrr 3117 CS- MS D 2» -2.777-31.215 -26.753 1,00 75.42 I4GL2 e

ATOM 6118 NH1 ARG D 19 -3.823 -31.978 -86.487 1.C0 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 MOl<2 O

ATOM 6122 N LEU D 20 -2.526 -32.085 -B0.777 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 LED 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.B2B 1.00 78.75 MOL2 C

ATOM 6126 CD1 LEU D 20 -1.722 -34.166 -76.990 1.00 76.76 MOIj2 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.SS4 -81.127 1.00 73.95 MOL2 W

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 -81.385 1.00 65.79 MOL2 C

ATOM 6138 C CYS D 22 6.68B -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 B4.99 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 M0L2 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 M0L2 C

ATOM 6150 C ALA D 24 12.754 -33.625 -84.097 1.00 47.82 M0L2 C

ATOM 6151 O ALA D 24 12.690 -32.B43 -85.034 1.00 56.17 MOL2 O

ATOM 6152 N SER D 25 13.902 -34.072 -83.626 1.00 45.00 M0L2 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 M0L2 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 -83.635 1,00 47.14 MOL2 C

ATOM 6157 O SER D 25 16.072 -35.179 -82.627 1.00 56.46 M0L2 O

ATOM 6158 N GLY D 26 17.433 -34.464 -84.259 1.00 43.68 M0L2 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 -33.763 1.00 45.34 MOL2 O

ATOM 6162 N PHE D 27 17.650 -36.992 -85.20S 1.00 38.63 MOL2 H

ATOM 6163 CA PHE D 27 17.612 -38.343 -85.746 1.00 39.22 MOL2 C

ATOM 6154 CB PHE D 27 17.191 -39,314 -84.669 1.00 24.50 MOL2 C

ATOM 6155 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 L 27 15.866 -37.676 -87.273 1.00 52.97 M0L2 O

ATOM 6173 K THR D 28 16.964 -39.574 -87.740 1.00 46.42 M0L2 N

ATOM 6174 CA THR D 28 15.165 -39.706 -88.940 1.00 53.33 M0L2 C

ATOM 6175 CB THR D 28 16.824 -40.642 -B9.998 1.00 52.12 M0L2 C

ATOM 6176 0G1 THR D 28 16.286 -41.959 -89.886 1.00 62.36 M0L2 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 0 THR D 28 14.407 -41.313 -88.553 1.00 48.04 M0L2 O

ATOM 5180 N PHE D 29 13.929 -39.117 -88.348 1.00 53.46 MOL2 N atom- sifri eft PHe n 29 12.531 -39-.279 -97.9-79 1.00 54.72 mol2- c

ATOM 61B2 CB PHE D 29 11.881 -37.895 -B7.92S 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 COl PHE t> 29 9.420 -38.253 -88.310 1.00 68.36 M0L2 C ATOM 6185 CD2 PHE D 29 10.143 -37.514 -86.164 1.O0 66.24 M0L2 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 M0L2 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 ΓΓ ATOM 6192 CA SER D 30 11.183 -40.659 -91.253 1.00 60.64 MOL2 C ATOM 6193 CB SEED 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 M0L2 C ATOM 6201 OD1 ASP D 31 14.563 -45.722 -91.815 1.00 78.88 M0L2 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 M0L2 O ATWM 6205 N TYR D 32 11.822 -44.070 -38.074 1.00 57.77 MOL2 H 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.Ξ6 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 M0L2 C ATOM 6211 CD2 TYR D 32 13.901 -46.006 -85.139 1.00 55.62 PIOL2 C ATOM 6212 CE2 TYR D 32 15.166 -46.490 -85.246 1.00 51.87 M0L2 C ATOM 6213 CZ TYRD 32 16.103 -45.799 -85-961 1.00 63.39 M0L2 C ATOM 6214 OH TYR D 32 17.347 -46.371 -86.130 1.00 70.01 M0L2 O ATOM 6215 C TYRD 32 9.796 -44.556 -86.663 1.00 60.28 MOIi2 C ATOM 6216 O TYR D 32 9.220 -43.567 -87.096 1.00 66.37 MOL2 O ATOM 6217 N ASK D 33 9.176 -45.493 -85.953 1.00 60.37 MOL2 N ATOM 6218 CA ASND 33 7.769 -45.367 -85.596 1.00 56.47 MOL2 C ATOM 6219 CB ASND 33 7.224 -46.708 -85.112 1.00 56.79 M0L2 C ATOM 6220 CG ASN D 33 7.470 -47.815 -86.109 1.00 66.86 MOL2 C ATOM 6221 OD1 ASND 33 8.551 -47.901 -86.684 1.00 78.81 MOL2 O ATOM 6222 ND2 ASND 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 M0L2 C ATOM 6224 O ASND 33 8.735 -44.112 -83.810 1.00 58.25 M0L2 0 ATOM 6225 N MET D 34 6.574 -43.772 -B4.212 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 -B3.686 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 M0L2 S ATOM 6230 CE MET D 34 8.706 -39.069 -82.552 1.00 51.28 M0L2 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 S.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 PIOL2 N ATOM 6239 CA TRP D 36 2.094 -41.069 -77.61B 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 M0L2 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 M0L2 C ATOM 6244 CE3 TRP D 36 1.697 -37.163 -77.811 1.00 33.21 MOL2 C ATOM 6245 CD1 TRP" IT 36 0.965 -33.571 -80-.414 1.00 31.07 MOL2 C

ATOM 6246 NE1 TRP D 36 1.323 -36.444 -El.106 1.00 29.81 MOL2 N ATOM 6247 CZ2 TRP D 36 2.042 -36.129 -BO.426 1.00 24.35 MOL2 C ATOM 6248 CZ3 TRP D 36 2.114 -35,854 -78.024 1.00 30.24 MOL.2 C ATOM 6249 CH2 TRP D 36 2.2B1 -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 MOL.2 0 ATOM 6252 N VAX. D 37 2.211 -41.438 -75.262 1.00 41.30 MOI.2 N ATOM 6253 CA VAL D 37 2.038 -42.14B -74.025 1.00 49.84 MOL.2 C ATOM 6254 CB VAL D 37 3.395 -42.719 -73.560 1.00 56.87 MOL.2 C ATOM 6255 CGI 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 MOL.2 C ATOM 6257 C VAL D 37 1.S60 -41.086 -73.064 1.00 55.18 MOL2 C ATOM 625B 0 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 H ATOM 6265 CZ ARG D 38 -5.593 -41.964 -71.655 1.00 95.44 M0L2 C ATOM 6266 WH1 ARG D 38 -5.178 -42.378 -70.465 1.00 96.28 M0L2 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 MOD2 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 ALAD 40 -2.830 -39.028 -65.537 1.00 65.19 MOL2 C ATOM 6281 CB AIAD 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 0 ALAD 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 -53.505 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 -61.84E 1.00 76.92 MOL2 C ATOM 6297 CB LYS D 43 -2.559 -42.375 -62.669 1.00 67.60 M0L2 C ATOM 6298 CS LYS D 43 -3.852 -42.332 -61.841 1.00100.68 MOL2 C ATOM 6299 CD LYS D 43 -3.882 -43.434 -60.770 1.00111.98 MOL2 C ATOM 6300 CE LYS D 43 -5.192 -43.448 -59.964 1.00116.94 MOL2 C ATOM 6301 NZ LYSE 43 -6.398 -43.856 -60.75B 1.00120.34 MOL2 N ATOM 6302 C LYS D 43 -0.046 -42,572 -62.650 1.00 71.83 MOL2 C ATOM 6303 O LYS E 43 0.917 -41.806 -62.805 1.00 65.21 MOL2 O ATOM 6304 N GLY E 44 -0.083 -43.809 -63.147 1.00 67.68 M0L2 N ATOM 6305 CA GLY D 44 1.027 -44.366 -63.905 1.00 69.58 M0L2 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 M0L2 H ATOM 6309 Cft LEND 45 1.852 -44.557 - 67.602 1.00 6 0.60 MÕL2 C

ATOM 6310 CB LEU D 45 3.320 -44.74S -58.025 1.00 54.13 M0L2 C

ATOM 6311 CG LEU D 45 4.370 -43.030 -67.366 1.00 53.54 M0L2 C

ATOM 6312 GDI LEU D 45 5.787 -44.216 -67.791 1.00 44.54 M0L2 C

ATOM 6313 CD2 LEU D 45 4.097 -42.397 -67.738 1.00 41.93 M0L2 C

ATOM 6314 C LEU D 45 0,938 -45.426 -68.453 1.00 64.12 M0L2 C

ATOM 6315 O LEU D 45 0,864 -46.641 -68.263 1.00 69.15 M0L2 O

ATOM 6316 N GLU D 46 0.235 -44.786 -69.382 1.00 64.42 M0L2 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 M0L2 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 1.00100.48 M0L2 C

ATOM 6321 OE1 GLU D 46 -4.866 -44.380 -69.042 1.00101.04 MOL2 O

ATOM 6322 OE2 GLU D 46 -3.739 -43.654 -67.284 1.00108.36 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 M0L2 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 M0L2 C

ATOM 6329 CD2 TRP D 47 0.012 -47.719 -76.961 1.00 70.61 M0L2 C

ATOM 6330 CE2 TRP D 47 0.336 -47.205 -78.225 1.00 72.82 MOL2 C

ATOM 6331 CE3 XRP D 47 -0.929 -48.747 -76.873 1.00 74.31 M0L2 C

ATOM 6332 CD1 TRP D 47 1.533 -46.109 -76.698 1.00 67,74 MOL2 C

A^OM 6333 NE1 TRP D 47 1.270 -46.220 -78.040 1.00 73.44 M0L2 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 M0L2 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 M0L2 C

ATOM 6338 0 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 M0L2 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 CGI VAL D 48 -2.995 -41.331 -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 0 VAL D 48 -2.918 -45.473 -77.883 1.00 64.06 MOL2 O

ATOM 6346 N ALA O 49 -1.254 -44.118 -78.531 1.00 63.57 M0L2 N

ATOM 6347 CA ALA D 49 -1.217 -44.668 -79.878 1.00 67.27 M0L2 C

ATOM 6348 CB ALAD 49 -2.186 -43.930 -80.753 1.00 67.63 MOL2 C

ATOM 6349 C ALAD 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 M0L2 O

ATOM 6351 N THR D 50 0.369 -45.339 -81.558 1.00 72.05 M0L2 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 M0L2 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 M0L2 O

ATOM 6358 N ILE D 51 2.211 -44.715 -84.551 1.00 60.B2 MOL2 H

ATOM 6359 CA ILE D 51 2.069 -44.659 -86.018 1.00 59.66 MOL2 C

ATOM 6360 CB XLE D 51 1.791 -43.226 -86.48B 1.00 59.51 M0L2 C

ATOM 6361 CG2 ILE D 51 2.830 -42.257 -85.943 1.00 45.70 M0L2 C

ATOM 6362 CGI ILE D 51 1.813 -43.161 -88.009 1.00 57.26 M0L2 C

ATOM 6363 CD1 ILE D 51 1.666 -41.750 -88.529 1.00 60.49 M0L2 C

ATOM 6364 C ILE D 51 3.424 -45.079 -86.605 1.00 63.20 M0L2 C

ATOM 6365 0 ILE D 51 4.465 -44.721 -86.055 1.00 72.07 MOL2 O

ATOM 5366 N THR D 52 3.429 -45.809 -87.717 1.00 58.77 M0L2 N

ATOM 6367 CA THR D 52 4.711 -46.242 -88.267 1.00 64.58 M0L2 C

ATOM 6368 CB THR D 52 4.577 -47.476 -89.140 1.00 67.42 M0L2 C

ATOM 5369 OG1 THR D 52 4.114 -47,086 -90.435 1.00 79.19 M0L2 O

ATOM 6370 CG2 THR D 52 3.609 -48.463 -88-516 1.00 68.84 MOL2 C

ATOM 5371 C THR D 52 5.489 -45.195 -89.067 1.00 67.57 M0L2 C

ATOM 6372 O THR D 52 4.945 -44.136 -89-3B4 1.00 73.88 M0L2 O

ATOM 63T3 H TYR 3 53 6.715 -45.508 -89.396 1.00 73.17 MO!2 M

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 9.931 -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 MQL2 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 -4Θ.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 M 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 GXiU D 54 5.591 -46.135 -94.237 1.00 98.17 MOIi2 C ATOM 6388 CG GLU D 54 4.537 -46.831 -93.382 1.D0103.97 MOL2 C ATOM 6389 CD GLU D 54 4.883 -48.285 -93.112 1.00112.26 MOL2 C ATOM 6390 ΟΞ1 GLU D 54 4.140 -48.960 -92.361 1.00114.82 M0L2 O ATOM 6391 OE2 GLU D 54 5.904 -48.756 -93.65B 1.00115.58 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.OO100.50 MOL2 O ATOM 6398 N ARGD 56 1.789 -45.086 -92.810 1.00101.58 MOL2 H ATOM 6399 CA ARG D 56 0.547 -45.768 -93.141 1.00107.62 M0L.2 C ATOM 6400 CB ARGD 56 0.512 -46.141 -94.626 1.00120.65 MOL2 C ATOM 6401 CG ARG D 56 -0.912 -46.353 -95.176 1.00134.36 M0L2 C ATOM 6402 CD ARG D 56 -1.736 -45.047 -95.179 1.00140.80 MOL2 C ATOM 6403 NE ARG D 56 -3.118 -45.228 -95.637 1.00145.28 M0L2 M ATOM 6404 CZ ARGD 56 -4.144 -45.563 -94.854 1.00146.77 MOL2 C ATOM 6405 NH1 ARG D 56 -3.964 -45.757 -93.549 1.00145.89 MOL2 N ATOM 6406 NH2 ARG D 56 -5.357 -45.707 -95.380 1.00144.12 M0L2 N ATOM 6407 C ARG D 56 0.300 -47.002 -92.303 1.00103.95 MOL2 C ATOM 6408 O ARGD 56 0.527 -48.126 -92.748 1.00104.42 M0L2 O ATOM 6409 N ABN D 57 -0.179 -46.763 -91.088 1.00101.45 MOL2 N ATOM 6410 CA ASN D 57 -0.503 -47.800 -90.117 1.00 98.58 M0L.2 C ATOM 6411 CB ASN D 57 0.499 -4B.949 -90.176 1.00100.66 MOL2 C ATOM 6412 CG ASN D 57 -0.112 -50.208 -90.740 1.00103.67 MOL2 C ATOM 6413 OD1 ASN D 57 -1.112 -50.707 -90.217 1.00103.03 MOL2 O ATOM 6414 ND2 ASN D 57 0.477 -50.729 -91.816 1.00102.70 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 -45.956 -B8.12S 1.00 94.50 MOL.2 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 -45.442 -85.861 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 -45.7S7 -87.075 1.00 86.89 MOL2 O ATOM 6421 CG2 THR D 5B -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 -4B.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 -83.022 1.00 92.64 MOL2 C ATOM 6426 CB TYR D 59 -1.749 -49.320 -B3.269 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 642B 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 -04.532 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 9 9.74 MOL2 O ATOM 6434 C TYR D 59 -3.867 -40.102 -82.735 1.00 93.37 MOL2 C ATOM 6435 O TYR D 59 -4.913 -43.750 -B2.641 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 Cft TYR E7 SO -4.520 -46.682 -80.866 1.00 09.79 MOL2 C ATOM 6438 CB TYR D 60 -5.837 -46.165 -81.493 1.00 77.88 M0L2 C ATOM 6439 CG TYR D 60 -5.663 -45.067 -82.515 1.00 68.52 MOL2 C ATOM 6440 CD1 TYR D SO -5.633 -45.354 -83.858 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 SO -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 MQL2 C ATOM 6445 OH TYR D SO -4.941 -42.088 -85.304 1.0Ô 62.53 MOL2 O ATOM 6446 C TYR D 60 -4.910 -47.703 -79.776 1.00 91.68 MOL2 C ATOM 6447 0 TYR D 60 -4.931 -4B.921 -79.983 1.00 94.46 MOL2 O ATOM 6448 W 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 51 -5.768 -47.721 -74.905 1.00100.42 MOL2 C ATOM 6452 CD ARG D 61 -5.581 -46.685 -73.814 1.00100.21 M0L2 C ATOM 6453 HE ARG D 51 -5.327 -47.288 -72.515 1.00 98.24 M0L2 N ATOM 6454 CZ ARG D 61 -5.114 -46.582 -71.415 1.00101.13 MOL2 C ATOM 6455 NH1 ARG D 61 -5.131 -45.257 -71.476 1.00102.89 MOL2 N ATOM 6456 NH2 ARG D 61 -4.876 -47.194 -70.263 1.00101.10 MOL2 M ATOM 6457 C ARG D 61 -7.144 -4B.157 -77.501 1.00101.27 MQL2 C ATOM 6458 O ARG D 51 -7.882 -47.234 -77.842 1.00106,90 MOL2 O ATOM 6459 N ASP D 62 -7.614 -49.354 -77.162 1.00104.77 MQL2 N ATOM 6460 CA ASPD 62 -9.060 -49.592 -77.167 1.00102.92 MOb2 C A^OM 6461 CB ASP D 62 -9.385 -51.071 -76.934 1.00108.77 MOL2 C ATOM 6462 CG ASPD 62 -9.107 -51.927 -78.159 1.00118.71 MOI.2 C ATOM 6463 OD1 ASP D 62 -9.686 -51.63E -79.231 1.00121.33 MOL2 O ATOM 6464 OD2 ASP D 62 -8.312 -52.888 -78.054 1.00122.02 MOL2 O ATOM 6465 C ASP D 62 -9.693 -48.752 -76.074 1.00 97.24 MOI.2 C ATOM 6466 O ASP D 62 -10.092 -49.275 -75-042 1.00 98.94 MOI.2 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 MOI.2 C ATOM 6469 CB SERD 63 -9.567 -46.522 -74.033 1.00 93.68 MOI.2 C ATOM 6470 OG SER D 63 -9.989 -45.447 -73.210 1.00 93.02 MOI.2 O ATOM 6471 C SER D 63 -10.358 -45.096 -7Ξ.880 1.00 90.23 MOI.2 C ATOM 6472 0 SERD 63 -10.830 -44.174 -75.211 1.00 87.81 MOL2 O ATOM 6473 H VAL D 64 -9.798 -44.919 -77.071 1.00 89.75 MOI.2 N ATOM 6474 CA VAL D 64 -9.780 -43.613 -77.718 1.00 88.97 MOI.2 C ATOM 6475 CB VAL D 64 -8.539 -42.757 -77.355 1,00 79.69 MOL2 C ATOM 6476 CGI VAL D 64 -8.510 -42.484 -75.875 1.00 78.62 MOI.2 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 0 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 1.00104.70 MOL2 C ATOM 6482 CB LYS D 65 -10.561 -46.767 -81.295 1.00110.03 MOL2 C ATOM 6483 CG LYS D 65 -10.427 -47.214 -82.750 1.00120.86 MOL2 C ATOM 6484 CD LYS D 65 -10.767 -48.697 -82.898 1.00131.56 MOL2 C ATOM 6485 CE LYS D 65 -10.699 -49.167 -84.351 1.00134.98 MOL2 C ATOM 6486 NZ LYS D 65 -11.066 -50.612 -84.486 1.00134.04 MOL2 N ATOM 6487 C LYS D 65 -11.423 -44.420 -81.677 1.00107.60 MOL2 C ATOM 6488 O LYS D 65 -12.437 -44.143 -81.025 1.00106,75 MOL2 O ATOM 6489 N GLY D 66 -11.227 -43.987 -82.920 1.00108.89 MOL2 N ATOM 6490 CA GLY D 66 -12.226 -43.163 -83.57.9 1.00108.07 MOL2 C ATOM 6491 C GLY D 66 -12.202 -41.732 -83.069 1.00108.09 M0L2 C ATOM 6492 O GLY D 66 -12.325 -40.778 -83.853 1.00111.82 MOL2 O ATOM 6493 M ARG D 67 -12.031 -41.583 -81.756 1.00100,42 M0L2 H ATOM 6494 CA ARG D 67 -11.997 -40.271 -81.119 1.00 96.02 M0L2 C ATOM 6495 CB ARG D 67 -12.311 -40.427 -79.633 1.00 92.86 MOL2 C ATOM 6495 CG ARG D 67 -12.980 -41.756 -79.325 1.00 93.72 MOL2 C ATOM €497 CD ARG D 67 -13.668 -41.794 -77.965 1.00 97.60 MOL2 C ATOM 6498 HE ARG D 67 -12.752 -41,696 -76.830 1.00100.96 MOL2 H ATOM 6499 CZ ARG D 67 -12.272 -40.556 -76.340 1.00102.31 M0L2 C ATOM 6500 NH1 ARG D 67 -11.443 -40.583 -75.301 1-00 95.79 MOL2 N ATOM- 6591 NH2 ARG Q 67 -12.624 -39-.392 -76.879- 1.0-9 99.79 MOL·2- If

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 0 ATOM 6504 N PHE D 68 -9.573 -40.387 -B1.2B0 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 0 ATOM 6515 N THR D 69 -6.675 -39.473 -B3.279 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 1.00102.06 MOL2 C ATOM 6518 OG1 THR D 69 -8.195 -39.262 -85.735 1.00110.64 MOL2 0 ATOM 6519 CG2 THR D 69 -6.166 -38.948 -87.030 1.00104.G9 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 0 ATOM 6522 N ILED 70 -3.705 -40.191 -84.779 1.00 80.23 MOL2 N ATOM 6523 CA ILE D 70 -2.264 -39.944 -84.739 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 -B4.980 1.00 75.94 MOL2 C ATOM 6526 CGI ILE D 70 -0.040 -40.718 -Β3.8Θ4 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 €530 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 €535 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 HE ARG D 72 6.348 -40.709 -89.071 1.00 73.65 MQL2 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 HH2 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 M0L2 C ATOM 6545 O ARG D 72 2.566 -37.088 -91.267 1.00 80.72 M0L2 0 ATOM 6547 H ASPD 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 Ξ . 075 -33.983 -91.238 1.00 91.76 MOL2 C ATOM 6550 CG ASPD 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 1.00100.05 MOL2 O ATOM 6552 OD2 ASPD 73 4.457 -33.476 -93.495 1.00101.53 MOL2 O ATOM 6553 C ASPD 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 M0L2 O ATOM 6555 N ASN D 74 7.094 -36.328 -91.487 1.00 84.23 M0L2 N ATOM 6556 CA ASN D 74 8.351 -36.850 -91.999 1.00 79.42 M0L2 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 -92.353 1.00 80.95 MOL2 O ATOM 6560 ND2 ΑΞΝ 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 MOD2 C atom- 6565 CB ALA D 75 8.081 -33.000 -9-4.724- 1.00 71.80 MOL2 C

ATOM 65SG C ALA D 75 8.751 -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 0 ATOM 6568 N LYS D 76 9.635 -31.626 -92.195 1.00 90.91 M0L2 N ATOM 6569 CA LYS D 76 9-5B2 -30.745 -91.021 1.00 98.36 M0L2 C ATOM 6570 CB LYS D 76 8.387 -29.779 -91.114 1.00103.87 MOL2 C ATOM 6571 CG LYS O 76 8.652 -28.418 -90.455 1.00109.13 MOL2 C ATOM 6572 CD LYS D 76 7.739 -27.316 -91.012 1.00115.11 MOL2 C ATOM 6573 CE LYS D 76 8.117 -25.936 -90.450 1.00116.96 MOL2 C ATOM 6574 NZ LYS D 76 7.366 -24.796 -91.063 1.00109.06 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 0 ATOM 6577 N ASN D 77 9.832 -32.837 -89.780 l.DO 90.60 MOL2 N ATOM 6578 CA ASN D 77 9.923 -33.741 -88.530 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 -83.588 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 5.234 -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 MQL2 N ATOM 6592 CA LEU D 79 4.279 -35.912 -84.B49 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 M0L2 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 -B5.453 l.OD 60.14 MOL2 C ATOM 6602 CG TYR D 80 0.807 -33 .393 -B6.229 1.00 54.99 MOE>2 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 M0L2 0 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 LEO 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. S2 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 -80.368 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 0 LEU D 81 -3.623 -34.248 -81.641 1.00 62.04 MOL2 0 ATOM 6619 N GW 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 a2 -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 0 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.B49 -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 0 ATOM 6628 N MET D 83 -7.130 -35.040 -80.959 1.00 82.00 MOL2 N AT ON 662B CA MET D- 83 -8.024 -35.44-8- -79-.89-0- 1.00 86.17 M0L2 C ATOM 6630 CB MET D 83 -7.446 -34.980 -78.541 1.00 88.02 MOL2 C ATOM ¢631 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 MOI.2 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 -12.553 -35.927 -79,649 1.00103.46 MOL2 C ATOM 6643 0 ASN D 84 -12.306 -36.954 -79.062 1.00107.51 M0L2 O ATOM 6644 N SEE D 85 -13.804 -35.305 -79.398 1.001DS.03 MOL2 N ATOM 6645 CA SEE D 85 -14.740 -35.813 -78.392 1.00107.26 MOL2 C ATOM 6646 CB SER D 85 -15.378 -37.132 -78.866 1.00111.39 MOL2 C ATOM 6647 OG SEE. D 85 -16.139 -36.967 -80.052 1.00116.59 MOL2 O ATOM 6648 C SER D 85 -14.032 -36.065 -77.067 1.00104.93 MOL.2 C ATOM 6649 O SER D 85 -14.312 -37.052 -76.378 1.00105.14 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 B6 -9.790 -32.325 -75.618 1.00 96.54 MOL2 C ATOM 6655 CD2 LEU D 86 -9.231 -34.743 -73.481 1.00 98.93 MOL.2 C ATOM 6656 C LEU D 36 -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 MOD2 O ATOM 6658 N AEG D 87 -13.111 -36.883 -73.794 1.00101.21 MOL2 N ATOM 6659 CA ARG D 87 -13.B43 -37.291 -72.594 1.00101.51 MOL2 C ATOM 6660 CB ARG D 87 -13.814 -38.819 -72.419 1.00105.31 MOL2 C ATOM 6661 CG AEG D 87 -14.538 -39.626 -73.504 1.00113.87 MOL2 C ATOM 6662 CD AEG D 37 -16.036 -39.755 -73.237 1.00125.62 MOL2 C ATOM 6663 NE AEG D 87 -16.714 -40.567 -74.249 1.00134.03 MOL2 N ATOM 6664 CZ AEGE 87 -18.010 -40.878 -74.227 1.00137.45 MOL2 C ATOM 6665 NH1 ARG D 97 -18.788 -40.449 -73.240 1.00138.83 MOL2 N ATOM 6666 NH2 AEG D 87 -18.530 -41.622 -75.196 1.00137.42 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 B8 -13.533 -36.885 -70.202 1.00 98.54 MOL2 N ATOM 6670 CA ALA D 88 -12.891 -36.278 -69.044 1.00100.19 MOL2 C ATOM 6671 CB ALAD 88 -13.930 -36.014 -67.968 1.00103.20 MOL2 C ATOM 6672 C ALA D 88 -11.786 -37.181 -68.500 1.00101.21 MOL2 C ATOM 6673 O ALA D 88 -10.823 -36.717 -67,872 1,00 95.02 MOL2 O ATOM 6674 N GLUD 39 -11.938 -38.478 -68.746 1.00100.97 MOL2 N ATOM 6675 CA GLU D 89 -10.964 -39.454 -68.290 1.00101.58 M0L2 C ATOM 6676 CB GLU D 89 -11.575 -40.863 -68.315 1.00104.95 MOL2 C ATOM 6677 CG GLUD 89 -11.812 -41.452 -69.702 1,00111.56 MOL2 C ATOM 6678 CD GLUD 89 -12.453 -42.838 -69.654 1.00117.47 MGL2 C ATOM 6679 OE1 GLU D 89 -12.602 -43.472 -70.724 1.00117.62 MOL2 O ATOM 6630 OB2 GLUD 89 -12.B13 -43.294 -68.545 1.00120.03 MOL2 O ATOM 6681 C GLUD 89 -9.718 -39.404 -69.172 1.00100.85 MOL2 C ATOM 6632 0 GLUD 89 -8.835 -40.258 -69.063 1.00104.29 MOL2 O ATOM 6683 N ASP D 90 -9.548 -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 0D2 ASP D 90 -10.522 -3B.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 -59.323 1.00 Θ0.97 MOL2 N ATOM 6692 CA THR D 91 -6.872 -35.588 -58.770 1.00 78.78 MOL2 C ATOM 6693 CB- THR IL 91 -7.37? -34,803 -67.480- 1.08 76.06 MGL2- <3

ATOM 5694 ΟΘ1 THE. D 91 -8.269 -33.336 -67.810 1.00 74.74 MOL2 0 ATOM 6695 CG2 THR D 91 -6.198 -34.323 -66.690 1.00 67.86 MOL2 C ATOM 6696 C THE D 91 -5.568 -36.264 -68.400 1.00 80.42 MOL2 C ATOM 6697 O THE D 91 -5.576 -37.339 -67.798 1.00 8S.81 1401.2 0 ATOM 6698 N ALA D 92 -4.453 -35.624 -68.740 1.00 77.33 1401.2 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 I40L2 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 140L2 C ATOM 6705 CB VAL D 93 1.548 -35.120 -68.688 1.00 61.28 140L2 C ATOM 6706 CGI VAL D 93 2.746 -34.691 -69.522 1.00 46.91 T40L2 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 140L2 C ATOM 6709 0 VAL D 93 0.847 -37.366 -70.559 1.00 64.71 MOL2 O ATOM 6710 N TYR D 94 0.643 -35.5B4 -71.944 1.00 65.44 MOL2 N ATOM 6711 CA TYRD 94 0.886 -36.368 -73.127 1.00 61.43 MOL2 C ATOM 6712 CB TYRD 94 -0.046 -35.902 -74.241 1.00 63.00 MOL2 C ATOM 6713 CG TYRD 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 A^M 6717 CE2 TYR D 94 -3.248 -37.929 -74.433 1.00 71.17 MOL2 C ATOM 6718 CZ TYRD 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 9S 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 -33.698 -73.068 1.00 35.07 MOL2 C ATOM 6725 CG TYR D 95 5.205 -33.152 -71.705 1.00 29.66 M0L2 C ATOM 6726 CD1 TYR D 95 4.568 -33.696 -70.588 1.00 29.99 MOL2 C ATOM 6727 CE1 TYR D 95 4.810 -33.205 -69.309 1.00 27.04 MOL2 C ATOM 6728 CD2 TYR D 93 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 M0L2 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 Ξ ATOM 6740 N ALA D 97 7.133 -40.213 -77.747 1.00 45.76 M0L2 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 9Θ 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 SEED 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 M0L2 O ATOM 6751 N PRO D 99 11.761 -44.566 -a0.709 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 -Θ1.457 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 PROD 99 14.419· -44.182- -80.884 1.00· 49-.75 M0L2 O ATOM 6758 N PRO D 100 14.867 -46.455 -80.122 1,00 47.56 M0L2 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 M0L2 C ATOM 6762 CG PRO D 100 IS.697 -48.606 -80.077 1.00 52.38 M0L2 C ATOM 6763 C PRO D 100 16.981 -46.170 -81.482 1.00 50.59 M0L2 C ATOM 6764 0 PRO D 100 16.611 -46.807 -82.455 1.00 50.59 M0L2 O ATOM 6765 N GLN D 101 17.964 -45.278 -81.522 1.00 56.02 MOL2 N ATOM 6766 CA GLK D 101 18.681 -44.943 -82.736 1.00 52.49 M0L2 C ATOM 6767 CB GLN D 101 19.703 -43.823 -82.468 1.00 66.20 M0L2 C ATOM 6768 CG GLH 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 M0L2 C ATOM 6770 OE1 GLN D 101 19.424 -44.154 -79.252 1.00 80.73 M0L2 O ATOM 6771 NE2 GLN D 101 21.027 -42.585 -79.509 1.00 89.51 M0L2 N ATOM 6772 C GLN D 101 19.382 -45.181 -83.304 1.00 53.84 M0L2 C ATOM 6773 O GLN D 101 19,583 -46.257 -84.512 1.00 56.95 M0L2 O ATOM 6774 N TYR D 102 19.790 -47.138 -82.467 1.00 56.67 M0L2 N ATOM 6775 CA TYR D 102 20.401 -48.368 -83.025 1.00 59.06 M0L2 C ATOM 6776 CB TYR D 102 21.317 -49.135 -82.038 1.00 53.29 M0L2 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 M0L2 C ATOM 6780 CD2 TYR D 102 21.500 -47.992 -79.781 1.00 57.34 M0L2 C ATOM 6781 CE2 TYR D 102 21.092 -47.803 -78.474 1.00 56.52 M0L2 C ATOM 6782 CZ TYR D 102 20.147 -48.645 -77.927 1.00 57.97 M0L2 C ATOM 6783 OH TYR D 102 19.644 -48.394 -76.666 1.00 64.12 MOL2 O ATOM 5784 C TYR D 102 19.201 -49.217 -83.438 1.00 64.S3 M0L2 C ATOM 6785 O TYR D 102 18.190 -48.662 -83.878 1.00 76.43 M0L2 O ATOM 6786 N TYR D 103 19.267 -50.534 -83.321 1.00 56.82 MOL2 N ATOM 5787 CA TYR D 103 18,111 -51.346 -83.732 1.00 58.69 MQL2 C ATOM 5788 CB TYR D 103 17.122 -51.458 -82.573 1.00 43.86 M0L2 C ATOM 6789 CG TYR D 103 17.538 -52.461 -81.545 1.00 43.71 M0L2 C ATOM 6790 CD1 TYR D 103 17.591 -53.806 -81.345 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 M0L2 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 M0L2 O ATOM 6796 C TYR D 103 17.309 -50.967 -85.011 1.00 65.35 M0L2 C ATOM 6797 O TYR D 103 17.717 -51.222 -86.151 1.00 63.13 KOL2 O ATOM 6798 N GLU D 104 16.151 -50.358 -84.795 1.00 74.03 M0L2 N ATOM 6799 CA GLU D 104 15.235 -49.998 -85.869 1.00 78.43 ' M0L2 C ATOM 5800 CB GLU D 104 15.699 -48.817 -86.692 1.00 BO,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 -49.758 -87.276 1.00 83.54 M0L2 C ATOM 5803 OKI GLU D 104 12.792 -48.195 -86.246 1.00 8B.99 M0L2 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 -86.331 1.00 79.96 M0L2 C ATOM 6806 O GLU D 104 14.310 -52.078 -86.520 1.00 80.54 M0L2 O ATOM 6807 N GLY D 105 15.634 -51.006 -88.005 1.00 85.01 M0L2 N ATOM 6808 CA GLY D 105 15.476 -52.001 -89.050 1.00 93.60 M0L2 C ATOM 6809 C GLY D 105 14.037 -52.024 -89.569' 1.00 97.58 M0L2 C ATOM 6810 O GLY D 105 13.798 -52.401 -90.722 1.00102.45 M0L2 O ATOM 6811 N SER D 106 13.100 -51.610 -88,705 1.00 92.53 M0L2 N ATOM 6312 CA SER D 106 11.654 -51.559 -88.954 1.00 79.31 M0L2 C ATOM 6813 CB SER D 106 11.248 -52.469 -90.112 1.00 78.55 M0L2 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 M0L2 C ATOM 6816 O SER D 106 9.836 -51.701 -87.409 1.00 76.84 M0L2 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 M0L2 C ATOM 6819 CB ILE D 107 12.397 -53.559 -84.655 1.00 65.73 M0L2 C ATOM 6820 CG2 ILE D 107 11.908 -54.227 -83.395 1-00 68.97 M0L2 C ATOM 6821 CGI ILE D 107 13.58-4 -54.342 -85.207 1.00 64.47 MGL2- c

ATOM 5822 CD1 ILE D 107 13.335 -55.820 -85.356 1.00 70.08 M0L2 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 -S4 .201 1.00 84.09 MOL2 C ATOM 6829 CD1 TYR D 108 4.714 -51.975 -84.259 1.00 81.93 M0L2 C ATOM 6830 CE1 TYR D 108 3.547 -51.600 -83.595 1.00 80.60 MOE.2 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. B44 -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 0 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. B0 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. B0 M0L2 C ATOM 6841 CD ARG D 109 5,919 -56.612 -80.765 1.00 S5.59 MOL2 C ATOM 6842 NE ARG D 109 5.202 -57.885 -80.769 1.00 96.52 MOL2 N ATOM 6843 CZ ARG D 109 4.776 -58.508 -81.864 1.00104.01 MOL2 C ATOM 6844 NH1 S1G B 109 4.988 -57.976 -83.062 1.00107.13 MOL2 N ATSpM 6845 NH2 ARG D 109 4.136 -59.658 -81.759 1.00107.22 MOL2 H ATOM 6846 C ARG D 109 8.958 -53.469 -79.945 1.00 53.98 MOL2 C ATOM 6847 O ARG D 109 9.020 -53.580 -78.729 1.00 51.15 MOL.2 O ATOM 6846 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 E 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 MOL.2 O ATOM 6856 NT TRP D 111 10.940 -50.900 -77.741 1.00 49,64 MOI.2 N ATOM 6857 CA TRP D 111 10.608 -50.104 -76.558 1.00 45.27 MOL.2 C ATOM 6856 CB TRP D 111 11.531 -50.467 -75.405 1.00 39.40 MOL.2 C ATOM 6859 CG TRP D 111 12.966 -50.319 -75.783 1.00 41.28 M0L2 C ATOM 6860 CD2 TRP D 111 13.743 -51.256 -76'.511 1.00 42.25 MOI.2 C ATOM 6861 CE2 TRP D 111 15.020 -50.694 -76.697 1.00 43.24 MOL.2 C ATOM 6862 CE3 TRP D 111 13.483 -52.521 -77.030 1.00 47.78 MOI.2 C ATOM 6863 CD1 TRP D 111 13.778 -49.246 -75.557 1.00 49.49 MOI.2 C ATOM 6864 NE1 TRP D 111 15.024 -49.463 -76.102 1.00 45.39 MOI.2 N ATOM 6865 CZ2 TRP D 111 16.021 -51.353 -77.377 1.00 48.26 MQL2 C ATOM 6866 CZ3 TRP D 111 14.476 -53.170 -77.704 1.00 50.24 MOI.2 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 -43.692 -76.965 1.00 42.86 MOL.2 C ATOM 6869 O TRP D 111 11.050 -48.401 -78.157 1.00 46.45 MOL2 O ATOM 6B70 N PHE D 112 11.029 -47.799 -75.995 1.00 39.79 MOL2 H 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 -76.845 1.00 53.83 MOL2 C ATOM 6873 CG PHE D 112 8.85S -45.936 -76.150 1.00 52.09 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 MOI.2 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 MOIi2 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 MOI.2 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 .20B 2.00 36.05 MOL2 C ATOM 6883 CB ALA D 113 15.557 -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 6805 & ALA D 113 13.131 -42-.046 -76.769· 1.00 47.00 MOL2 O ATOM 6886 N HIS D 114 14.208 -41.884 -75.ISO 1.00 45.27 MOL2 N ATOM 6887 CA HIS D 114 13.787 -40.590 -75.673 1.00 48.63 1401,2 C ATOM 688B 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 E 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 M0L2 C ATOM 6893 NE2 HIS D 114 17.865 -41.159 -77.232 1.00 69.07 M0L2 H ATOM 6894 C HIS D 114 12.267 -40.337 -75.583 1.00 45.81 M0L2 C ATOM 6895 0 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 M0L2 N ATOM 6897 CA TRP D 11S 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 I40L2 C ATOM 6899 CG TRP D 115 10.103 -40.894 -72.609 1.00 47.04 101)2 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 M0L2 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 B.287 -43.529 -71.851 1.00 46.86 MOL2 C ATOM 6906 CZ3 TRP D 115 6.663 -42.148 -71.653 1.00 47.51 M0Xj2 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 0 TRP D 115 11.731 -36.944 -74.246 1.00 36.86 MOL2 O ATOM 6910 M GLY D 116 9,532 -36.902 -74.6B2 1.00 47.55 MOL2 N ATOM 6911 CA GLY D 116 9.535 -35.453 -74.728 1.00 52.44 M0L2 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 0 ATOM 6914 N GLN D 117 9.120 -33.690 -73.109 1.00 54.85 MOL2 N ATOM 6915 CA GLN D 117 B.871 -33.202 -71,766 1.00 57.81 M0L2 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 M0L2 C ATOM 6919 OE1 GLN D 117 8,417 -29.144 -73.120 1.00 85.67 MOL2 0 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 -71.439 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 MOI>2 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 -31.353 -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 M0L2 C ATOM 6933 0 THR D 119 0.402 -32.747 ,-71.867 1.00 35.03 MOL2 O ATOM 6934 N LEU D 120 0.4Θ8 -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 75.6B 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 0 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 -32.666 -72.409 1.00 66.65 MOL2 C ATOM 6945 CGI 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 M0L2 O ATOM 6949· M THR· D 122- -5.994 -30.864 -69-.845 1.00 76.78 MOL2 14

ATOM 6950 CA THR D 122 -7.074 -31.009 -6B.860 1.00 77.45 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 0 ATOM 6955 N VAL D 123 -9.241 -31.882 -69.491 1.00 81.95 MOL2 M ATOM 6957 CA VAL D 123 -10.623 -31.848 -69,947 1.00 87.30 M0L2 C ATOM 6958 CB VAL D 123 -10.998 -33.178 -70.653 1.00 87.08 M0L2 C ATOM 6959 CGI VAL D 123 -10.435 -34.360 -69.862 1.00 90.66 MOL2 C ATOM 6960 CG2 VAL D 123 -12.494 -33.294 -70.794 1.00 87.6B M0L2 C ATOM 6961 C VAL D 123 -11.567 -31.638 -68.753 1.00 92.45 M0L2 C ATOM 6962 O VAL D 123 -11.915 -32.595 -68.053 1.00 92.78 M0L2 O ATOM 6963 N SER D 124 -11.970 -30.3B9 -68.521 1.00 96.50 M0L2 N ATOM 6964 CA SER D 124 -12.876 -30.053 -67.419 1.00101.35 MOL2 C ATOM 6965 CB SER D 124 -12.083 -29.484 -66.233 1.00104.48 MOL2 C ATOM 6966 OG SERB 124 -12.917 -29.260 -65,104 1.00108.20 M0L2 O ATOM 6967 C SERB 124 -13.926 -29.030 -67.871 1.00101.90 MOL2 C ATOM 6968 O SERB 124 -13.644 -28.163 -68.701 1.00102.22 MOL2 O ATOM 6969 N SER D 125 -15.131 -29.133 -67.316 1.00100.55 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 SERB 125 -17.762 -29.293 -66.116 1.00104.20 MOL2 O ATOM 6973 C SER D 125 -16.194 -26.959 -66.814 1.00 89,46 MOL2 C A*POM 6974 O SERE 125 -16.840 -25.974 -67.148 1.00 86.33 MOL2 O ATOM 6975 H ALA D 126 -15.450 -26.993 -65.717 1.00 87.90 MOL2 W ATOM 6976 CA ALA D 126 -15.351 -25.842 -64.820 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 M0L2 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 M0L2 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 1.00104.26 M0L2 C ATOM 6983 CG LYS D 127 -15.652 -19.877 -66.292 1.00114.56 M0L2 C ATOM 6984 CD LYS D 127 -15,048 -19.903 -67,702 1.00119.37 MOL2 C ATOM 6985 CE LYS D 127 -14.849 -18.500 -68.257 1.00116.80 MOL2 C ATOM 6986 NZ LYS D 127 -14.183 -18.545 -69.584 1.00117.75 M0L2 N ATOM 6987 C LYS D 127 -13.724 -21.440 -64.679 1.00 86.37 M0L2 C ATOM 6988 O LYS D 127 -13.770 -21.548 -63.462 1,00 81.01 M0L2 O ATOM 69B9 N THR D 128 -12.850 -20.668 -65.306 1.00 86.45 M0L2 N ATOM 6990 CA THR D 12Θ -11.845 -19.898 -64.587 1.80 88.78 M0L2 C ATOM 6991 CB THR D 128 -11.136 -18.903 -65.555 1.00 94.01 M0L2 C ATOM 6992 OG1 THR D 12B -12.100 -17.997 -66.105 1.00102.80 MOL2 O ATOM 6993 CG2 THR D 128 -10.464 -19.658 -66.712 1.00 92.70 M0L2 C ATOM 6994 C THR D 128 -12.436 -19.125 -63.403 1.00 B2.79 M0L2 C ATOM 6995 O THR D 128 -13.214 -18.206 -63.594 1.00 86.68 M0L2 O ATOM 6996 M THR D 129 -12,063 -19.506 -62.185 1.00 80.34 MOL2 N ATOM 6997 CA THR D 129 -12.541 -18,047 -60.958 1.00 81.32 M0L2 C ATOM 6998 CB THR D 129 -13.413 -19.789 -60.086 1.00 76.32 M0L2 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 M0L2 C ATOM 7001 C THR D 129 -11,366 -18.439 -60.059 1.00 88.41 M0L2 C ATOM 7002 O THR D 129 -10.451 -19.233 -59.B23 1.00 95.15 M0L2 O ATOM 7003 N PRO D 130 -11.372 -17.208 -59.529 1.00 89.99 M0L2 N ATOM 7004 CD PRO D 130 -12.421 -16.177 -59.487 1,00 94.23 M0L2 C ATOM 7005 CA PRO D 130 -10.248 -16.833 -58.665 1.00 91.27 MQL2 C ATOM 7006 CB PRO D 130 -10.413 -15.335 -58.519 1.00 89.62 M0L2 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 M0L2 C ATOM 7009 O PRO Ί> 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 -8.143 -16.857 -56,658 1.00102.54 M0L2 C ATOM 7012 CA PRO D 131 -9.435 -13.260 -55.195 1.00 98.47 MOL2 C atom 7013 e& PRO & 131 -7.975 -18.575 -54.977 1.00102.75 MOL2 C

ATOM 7014 CG PRO D 131 -7.361 -17.243 -55.378 1.00102.15 MOL2 C ATOM 7015 C PRO D 131 -9.944 -17.357 -54.087 1.00 97.59 M0L2 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 -17.960 -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 M0L2 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 -8.3B2 -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 M0L2 C ATOM 7026 CGI 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 M0L2 C ATOM 7028 C VAL D 133 -8.687 -16.523 -47.7B0 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 H 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 0 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 -17.553 -47.653 1.00 94.29 MOL2 C ATOM 7036 CD2 TYR D 134 -12.011 -19.615 -46.015 1.00 94.78 M0L2 C ATOM 7037 CE2 TYR D 134 -13.089 -19.B15 -46.865 1.00 96.04 M0L2 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 M0L2 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 M0L2 N ATOM 7043 CD PRO D 135 -B.262 -15.768 -43.276 1.00 91.40 M0L2 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 M0L2 C ATOM 7047 C PRO D 135 -6.570 -18.181 -41.610 1.00 87.93 MOL2 C ATOM 7048 O PRO D 13 5 -7.551 -18.111 -40.879 1.00 88.59 M0L2 O ATOM 7049 N LEU D 136 -5.645 -19.125 -41.471 1.00 88.40 MOL2 N ATOM 7050 CA LEO D 136 -5.754 -20.126 -40.415 1.00 87.79 MOL2 C ATOM 7051 CE LEU D 136 -5.094 -21.449 -40.823 1.00 88.32 MOL2 C ATOM 7052 CG LEU D 13 6 -5.763 -22.3 71 -41.841 1.0 0 8 7.50 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 M0L2 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 M0L2 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 -3E.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 13 8 -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 32.07 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 13 B -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 PROD 138 -6.122 -20.247 -32.888 1.00101.66 MOL2 C ATOM 7068 O PRO D 138 -6.863 -19.318 -33.185 1.00105.65 MOL2 O ATOM 7069 N GLY D 139 -6.402 -21.125 -31.936 1.00107.92 M0L2 N ATOM 7070 CA GLY D 139 -7.608 -20.995 -31.147 1.00118.65 MOL2 C ATOM 7071 C GLY D 139 -7,190 -20.365 -29.B32 1.00127.42 M0L2 C ATOM 7072 0 GLY D 139 -6.011 -20.041 -29.646 1.00127.52 MOL2 O ATOM 7073 N SER D 140 -8.141 -20.1B5 -28.920 1.00135.65 MOL2 M ATOM 7074 CA SER D 140 -7.851 -19,596 -27.615 1.00143.05 MOL2 C ATOM 7075 CB SER D 140 -9.124 -18.992 -27.011 1.00139.74 M0L2 C ATOM 7076 OG SER D 140 -10.098 -19.993 -26.759 1.00131.79 MOL2 O ATOM- 7077 C SER D 140 -7.310' -20.665 -26.667 1.00150.39 MOL2 C

ATOM 7078 0 SEE D 140 -7.655 -20.675 -25.485 1.00152.05 MOL2 Ο ATOM 7079 Μ ΑΙΑ D 141 -6.474 -21.564 -27.190 1.00156.60 MOL2 Ν ATOM 7080 CA ΑΙΑ D 141 -5.Β92 -22.647 -26.394 1.00160.16 MOL2 C ATOM 7081 CB AXA D 141 -5.B60 -23.938 -27.212 1.00159.05 MOL2 C ATOM 7082 C ALA D 141 -4.487 -22.313 -25.884 1.00163.47 MOL2 C ATOM 7083 O ALA D 141 -3.603 -23.176 -25.851 1.00162.83 M0L2 O ATOM 7084 N ALA D 142 -4.299 -21.053 -25.490 1.00166.92 M0L2 N ATOM 7085 CA ALA D 142 -3.030 -20.551 -24.953 1.00169.09 MOL2 C ATOM 7086 CB MA D 14 2 -2.801 -21.105 -2.3 .550 1.00169.18 MOL2 C ATOM 7087 C ALA D 142 -1.805 -20.829 -25.834 1.00170.10 MOL2 C ATOM 7088 O ALA D 142 -1.919 -21.350 -26.947 1.00170.73 MQL2 O ATOM 7089 N GLN D 143 -0.633 -20.472 -25.313 1.00169.73. MOL2 N ATOM 7090 CA GLN D 143 0.630 -20.657 -26.025 1.00169.60 MOL2 C ATOM 7091 CB GLN D 143 1.345 -19.304 -26.175 1.00171.11 MOL2 C ATOM 7092 CG GLN D 143 2.808 -19.384 -26.651 1.00174.47 MOL2 C ATOM 7093 CD GLN D 143 2.960 -19.853 -28.099 1.00176.58 MOL2 C ATOM 7094 OE1 GLN D 143 2.457 -19.213 -29.029 1.00176.14 MOL2 O ATOM 7095 NE2 GLN D 143 3.666 -20.969 -28.294 1.00175.36 MOL2 N ATOM 7096 C GLN D 143 1.576 -21,666 -25.362 1.00168.61 MOL2 C ATOM 7097 O GLN D 143 2.253 -21.353 -24.374 1.00168.76 MOL2 O ATOM 7098 N THE D 144 1.617 -22.875 -25.917 1.00165.57 MOL2 N ATOM 7099 CA THE D 144 2.493 -23.927 -25.417 1.00162.67 MOL2 C ATOM 7100 CB THE D 144 1.749 -25.280 -25.304 1.00163.46 MOL2 C ATOM 7101 OG1 THE D 144 0.558 -25.108 -24.525 1.00164.15 MOL2 O ATÔM 7102 CG2 THR D 144 2.638 -26.330 -24.633 1.00161.04 MOL2 C ATOM 7103 C THR D 144 3.641 -24.067 -26.420 1.00160.3S MOL2 C ATOM 7104 O THR D 144 3.468 -23.802 -27.612 1.00159.06 MOL2 O ATOM 7105 N ASN D 145 4.806 -24.477 -25.926 1.00157.50 MOL2 N ATOM 7106 CA ASN D 145 6.007 -24,656 -26,744 1.00151.64 MOL2 C ATOM 7107 CB ASN D 145 5.756 -25.672 -27.878 1.00155.26 MOL2 C ATOM 7108 CG ASN D 145 7. D47 -26.346 -28.370 1.00156.04 MOL2 C ATOM 7109 OD1 ASN D 145 7.834 -26.869 -27.575 1.00156.83 MOL2 O ATOM 7110 ND2 ASN D 145 7.254 -26.345 -29.683 1.00155.28 MOL2 N ATOM 7111 C ASN D 145 6.497 -23.322 -27.312 1.00144.30 MOL2 C ATOM 7112 O ASN D 145 5.791 -22.309 -27.274 1.00139.79 KOL2 O ATOM 7113 N SEE D 146 7.721 -23.336 -27.827 1.00138.02 MOL2 N ATOM 7114 CA SER D 146 8.340 -22.143 -28.379 1.00132.73 MOL2 C ATOM 7115 CB SER D 146 9.865 -22.288 -28.356 1.00131.99 M0L2 C ATOM 7116 OG SER D 146 10.355 -22.370 -27.030 1.00132.70 MOL2 O ATOM 7117 C SER D 146 7.899 -21.800 -29.794 1.00129.36 M0L2 C ATOM 7118 O SER D 146 8.140 -20.688 -30.258 1.00133.00 M0L2 O ATOM 7119 N MET D 147 7.249 -22.733 -30.481 1.00122.87 MOL2 N ATOM 7120 CA MET D 147 6.831 -22.467 -31.851 1.00116.75 MOL2 C ATOM 7121 CB MET D 147 7.433 -23.516 -32.789 1.00120.71 MOL2 C ATOM 7122 CG MET D 147 8.942 -23.699 -32.641 1.00125.86 MOL2 C ATOM 7123 SD METE 147 9.939 -22.254 -33.097 1.00130.92 MOL2 S ATOM 7124 CE MET D 147 10.431 -22.679 -34.789 1.00132.60 MOL2 C ATOM 7125 C MET D 147 5.326 -22.418 -32.046 1.00112.57 MOL2 C ATOM 7126 O MET D 147 4.554 -23.045 -31.306 1.00111.57 MOL2 O ATOM 7127 N VAL D 148 4.905 -21.661 -33.053 1.00108.32 MOL2 N ATOM 7128 CA VAL D 148 3.490 -21.535 -33.365 1.00106.32 MOL2 C ATOM 7129 CB VAL D 143 2.960 -20.149 -33.012 1.00110.34 MOL2 C ATOM 7130 CGI VAL D 148 1.446 -20.208 -32.891 1.00111.40 MOL2 C ATOM 7131 CG2 VAL D 148 3.602 -19.657 -31.723 1.00111.14 MOL2 C ATOM 7132 C VAL D 148 3.269 -21.774 -34.848 1.00103.55 MOL2 C ATOM 7133 O VAL D 148 4.022 -21.280 -35.692 1.00104.24 MOL2 0 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 1.00100.27 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 W LEG D 150 0.907 -21.333 -38.132 1.00 89\1? 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 B8.03 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 0 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 -41.90B 1.00 82.13 MOL2 C ATOM 7151 C GLY D 151 -2.755 -20.401 -42.809 1.00 83.28 M0L2 C ATOM 7152 0 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 1.00115.85 MOL2 Ξ 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 LEUD 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 0 LEU D 153 -7.522 -19.980 -47.967 1.00 76.30 MOL2 0 ATOM 7167 N VAL D 154 -6.734 -21.716 -49.127 1.00 6 9.81 MOL2 H 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 CGI 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 1.00100.61 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 1.00100.07 MOL2 C ATOM 7196 OH TYR D 157 -5.125 -25.035 -55.638 1.00102.18 MOL2 0 ATOM 7197 C TYR D 157 -9.954 -22.585 -58.606 1.00 79.39 MOL2 C ATOM 7198 0 TYR D 157 -9.916 -23.804 -58.404 1.00 77.77 MOL2 0 ATOM 7199 N PHE D 158 -9.821 -22.032 -59. BIO 1.00 80.14 MOL2 N ATOM 7200 CA PHE D 158 -9.658 -22.829 -61.022 1.00 B2.87 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 M0L2 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 M0L2 C ATOM 7205 CHI PHE Tf 158 -11.098 -26.618 -63.400- 1.00-85.17 M0L2- C ATOM 7206 CE2 PHE D 156 -10.652 -24.823 -64.919 1.00 77.99 MOL2 C ATOM 7207 CZ PHE D 158 -10.851 -26 .172 -64.6BS 1.00 81.90 MOL2 C ATOM 7208 C PHE D 158 -9.104 -21.956 -52.133 1.00 85.00 MOL2 C ATOM 7209 O PHE D 158 -9.521 -20.828 -62.307 1.00 8B.25 MOL2 O ATOM 7210 M PRO D 159 -8.150 -22.472 -62.897 1.00 89.94 M0L2 H 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 1.00102.81 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 H 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.S43 1.00102.82 MOL2 C ATOM 7220 CG GLU D 160 -4.451 -27.404 -60.983 1.00104.68 MOL2 C ATOM 7221 CD GLU D 160 -4.126 -27.551 -59.516 1.00107.82 MOL2 C ATOM 7222 OE1 GLU D 160 -4.149 -26.529 -58.792 1.00106.91 MOL2 O ATOM 7223 OE2 GLU D 160 -3.843 -28.693 -59.094 1.00109.05 MOL2 O ATOM 7224 C GLU D 160 -3.441 -23.926 -62.330 1,00 94.31 MOL2 C ATOM 7225 0 GLU D 160 -3.754 -23.751 -63.500 1.00 97.3B MOL2 O ATOM 7226 N PRO D 161 -2,402 -23.303 -61.7B5 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 M0L2 C ATOM 7229 CB PROD 161 -0.544 -23.974 -60.601 1.00105.77 MOL2 C AÍÔM 7230 CG PRO D 161 -0.067 -22.959 -61.658 1.00104.99 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 Ώ 162 -1.916 -22.287 -58.344 1.00 91.79 MOL2 N ATOM 7234 CA VAL D 162 -1.883 -21.109 -S7.493 1.00 87.39 M0L2 C ATOM 7235 CB VAL D 162 -2.845 -21.211 -56.278 1.00 90.09 MOL2 C ATOM 7236 CGI 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 -56.82 7 1.00 89.31 MOL2 O ATOM 7240 N THR D 163 0,030 -19.950 -56.588 1.00 80.89 MOL2 N ATOM 7241 CA THR D 163 1.361 -19.889 -56.014 1.00 85.73 MOL2 C ATOM 7242 CB THR D 163 2.342 -19.078 -56.916 1.00 88.94 M0L2 C ATOM 7243 0G1 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 1.0 0 82.71 MOL2 O ATOM 7247 N VAL D 164 1.655 -19.956 -53.503 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 CGI 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 1.0D 77.75 P10L2 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 1.00106.57 MOL2 C ATOM 7257 OG1 THR D 165 5.686 -15.683 -50.439 1.00108.68 M0L2 0 ATOM 7258 CG2 THR D 165 4.292 -16 .259 -52.343 1.00106.51 MOL2 C ATOM 7259 C THR D 165 4.115 -16.958 -48.999 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 1.00100.90 M0L2 N ATOM 7262 CA TRP D 166 4.923 -16.198 -46.842 1.00105.67 MOL2 C ATOM 7263 CB TRP D 166 5.028 -17.136 -45.626 1.00109.45 MOL2 C ATOM 7264 CG TRP D 166 3.847 -18.088 -45.503 1.00114.29 MOL2 C ATOM 7265 CD2 TRP D 166 2.735 -17.973 -44.605 1.00116.27 MOL2 C ATOM 7266 CE2 TRP D 166 1.847 -19.031 -44.899 1.00117.82 MOL2 C ATOM 7267 CE3 TRP D 166 2.401 -17.076 -43.586 1.00119.27 MOL2 C ATOM 7268 CD1 TRP D 166 3.594 -19.188 -46.277 1.00117.59 MOL2 C ATOM 7269 NE1 TRP' D 166 2.395 -±9.759 -45.921 1.00115.70' MOL2 N- ATOM 7270 CZ2 TRP D 166 0.648 -19.214 -44.213 1.00120.98 M0L2 C ATOM 7271 CZ3 TRP D 166 1.207 -17.259 -42.905 1.00122.60 MOL2 C ATOM 7272 CH2 TRP D 166 0.345 -18.319 -43.223 1.00123.26 MOL2 C ATOM 7273 C TRP D 166 5.910 -15.038 -46.728 1.00109.48 MOL2 C ATOM 7274 O TRP D 166 7.126 -15.207 -46.875 1.00109.46 MOL2 O ATOM 7275 N ASN D 167 5.353 -13.856 -46.466 1.00113.3B M0L2 N ATOM 7276 CA ASN D 167 6.104 -12.608 -46.352 1.00114.54 MOL2 C ATOM 7277 CB ASN D 167 6.947 -12.600 -45.078 1.00118.94 MOL2 C ATOM 7278 CG ASN D 167 6.109 -12.324 -43.834 1.00124.05 MOL2 C ATOM 7279 OD1 ASN D 167 4.937 -12.710 -43.760 1.00122.77 MOL2 O ATOM 7230 ND2 ASN D 167 6.711 -11.663 -42.847 1.00127.26 MOL2 N ATOM 7281 C ASN D 167 6.952 -12.374 -47.594 1.00114.51 MOL2 C ATOM 7282 O ASN D 167 8.093 -11.908 -47.529 1.00112,51 MOL2 O ATOM 7283 N SER D 168 6.349 -12.713 -48.729 1.00114.88 MOL2 N ATOM 7284 CA SSRD 168 6.948 -12.559 -50.046 1.00117.71 MOL2 C ATOM 7285 CB SER D 168 7.043 -11.068 -50.384 1.00120.77 MOL2 C ATOM 7286 OG SER D 168 5.760 -10.461 -50.326 1,00120.73 M0L2 O ATOM 7287 C SER D 168 8.308 -13.240 -50.236 1.00118.45 M0L2 C ATOM 7288 O SER D 168 9.033 -12.940 -51.190 1.00119.88 MOL2 O ATOM 7289 N GLY D 169 8.647 -14.167 -49.34Ξ 1.00116.49 M0L2 N ATOM 7290 CA GLY D 169 9.916 -14.863 -49.470 1.00115.34 MOL2 C ATOM 7291 C GLY D 169 10.733 -14.831 -48.196 1.00116.67 MOL2 C ATOM 7292 O GLY D 169 11.731 -15.547 -48.068 1.00116.00 M0L2 O ATOM 7293 N SER D 170 10.305 -13.991 -47.257 1.00117.66 M0L2 N ATOM 7294 CA SER D 170 10.968 -13.83B -45.962 1.00118.92 M0L2 C ATOM 7295 CB SER D 170 10.208 -12.789 -45.123 1.00118.48 MOL2 C ATOM 7296 OG SER D 170 10.823 -12.535 -43.870 1.00117.76 MOL2 O ATOM 7297 C SER D 170 11.005 -15.193 -45.236 1.00118.99 MOL2 C ATOM 7298 O SER D 170 12.025 -15.567 -44.638 1.00120.02 MOL2 O ATOM 7299 N LEU D 171 9.890 -15.922 -45.299 1.00114.98 MOL2 N ATOM 7300 CA LEUD 171 9.788 -17.233 -44.664 1.00111.28 MOL2 C ATOM 7301 CB LEU D 171 8.481 -17.377 -43.885 1.00106.75 M0L2 C ATOM 7302 CG LEU D 171 8.112 -16.341 -42.832 1.00104.87 M0L2 C ATOM 7303 CD1 LEU D 171 9.349 -15.374 -42.057 1.00102.21 MOI.2 C ATOM 7304 CD2 LEU D 171 7.458 -15.196 -43.537 1.00104.02 M0L2 C ATOM 7305 C LEU D 171 9.815 -18.323 -45.712 1.00112.63 MOL2 C ATOM 7306 O LEU D 171 8.872 -18.450 -46.488 1,00113.84 MOL2 O ATOM 7307 N SER D 172 10.885 -19.114 -45.734 1.00116.51 MOL2 N ATOM 7308 CA SER D 172 10.991 -20.211 -46.699 1.00120.66 M0L2 C ATOM 7309 CB SER D 172 12.198 -20.009 -47.633 1.00122.80 M0L2 C ATOM 7310 OG SER D 172 13.427 -19.984 -46.924 1.00128.10 MOL2 O ATOM 7311 C SER D 172 11.115 -21.546 -45.966 1.00120.50 MOL2 C ATOM 7312 O SER D 172 10.645 -22.582 -46.451 1,00117.91 MOL2 O ATOM 7313 N SER D 173 11.737 -21.494 -44.787 1.00120.00 MOL2 N ATOM 7314 CA SER D 173 11.958 -22.666 -43.943 1.00117.46 M0L2 C ATOM 7315 CB SER D 173 13.241 -22.490 -43.119 1.00119.76 MOL2 C ATOM 7316 OG SER D 173 13.086 -21.472 -42.140 1.00120.60 MOL2 0 ATOM 7317 C SER D 173 10.791 -22.871 -42.988 1.00113.90 MOL2 C ATOM 7318 O SER D 173 10.213 -21.907 -42.487 1.00111.94 M0L2 0 ATOM 7319 N GLY D 174 10.460 -24.129 -42.724 1.00111.91 M0L2 N ATOM 7320 CA GLY D 174 9.361 -24,417 -41.819 1.00109.17 MOL2 C ATOM 7321 C GLY D 174 8.008 -24.127 -42.447 1.00105.52 M0L2 C ATOM 7322 0 GLY D 174 7.022 -23.857 -41.753 1.00 99.48 M0L2 0 ATOM 7323 N VAL D 175 7.961 -24.171 -43.773 1.00103.61 M0L2 N ATOM 7324 CA VAL D 175 6.718 -23.913 -44.481 1.00 99.51 M0L2 C ATOM 7325 CB VAL D 175 6.87E -22.731 -45.459 1.00105,14 MOL2 C ATOM 7326 CGI VAL D 175 5,512 -22,351 -46.038 1.00105.60 MOL2 C ATOM 7327 CG2 VAL D 175 7.528 -21.549 -44.742 1.00101.57 MOL2 C ATOM 7328 C VAL D 175 6.264 -25.151 -45.245 1.00 94.61 M0L2 C ATOM 7329 0 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 M0L2 N ATOM 7331 CA HIS D 176 4.397 -26.587 -45.834 1.00 86.07 M0L2 C ATOM 7332 CB HIS D 176 3.950 -27.660 -44.827 1.00 86.41 M0L2 C ATOM 7333 CG HIS & 176 5.073 -28.275 -44.049 1.08 88.28 MOL2 <7 ATOM 7334 CD2 HIS D 176 5.081 -28 .931 -42.864 1.00 83.64 MOL2 C ATOM 7335 WD1 HIS D 176 6.380 -28 .259 -44.487 1.00 88.23 M0L2 N ATOM 7336 CE1 HIS D 176 7.146 -28 .875 -43.604 1.00 88.02 M0L2 C ATOM 7337 NE2 HIS D 176 6,382 -29.292 -42.610 1.00 89.74 M0L2 N ATOM 7338 C HIS D 176 3.190 -26,170 -46.646 1.00 81.52 M0L2 C ATOM 7339 O HIS D 176 2.136 -25 .899 -46.086 1.00 BO.11 MOtj2 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 PIOL2 N ATOM 7348 CA PHE D 178 0.041 -28.771 -49.527 1.00 61.67 MOL.2 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 M0L.2 C ATOM 7353 CE1 PHE D 178 0.481 -30,564 -45.314 1.00 71.77 MOL.2 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 MOL.2 C ATOM 7357 O PHE D 178 -0.891 -27.736 -51.465 1.00 52.95 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 MOL.2 C ATOM 7362 CG PRO D 179 0.475 -31.800 -52.516 1.00 74.91 MOL.2 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 M0L2 O ATOM 7365 M 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 MOL.2 C ATOM 7367 CB ALA D 180 -4.580 -27.830 -55.315 1.00 76.02 MOL.2 C ATOM 7368 C ALA D 180 -5.172 -30.038 -54.388 1.00 78.51 MOL.2 C ATOM 7369 O ALA D 180 -4.664 -31.013 -54.952 1.00 80.95 MOL.2 O ATOM 7370 N VAL D lsl -6.415 -30.040 -S3.935 1.00 83.08 MOL2 H ATOM 7371 CA VAL D 181 -7.260 -31.205 -54.138 1.00 86.75 MOL.2 C ATOM 7372 CB VAL D 181 -7.495 -31.978 -52.812 1.00 89.63 MOL.2 C ATOM 7373 CGI VAL D 181 -8.201 -31.098 -51.794 1.00 92.37 MOL2 C ATOM 7374 CG2 VAL D 131 -8.286 -33.244 -53.096 1.00 91.56 MOL2 C ATOM 7375 C VAL D 181 -B.579 -30.763 -54.771 1.00 B5.95 MOL2 C ATOM 7376 0 VAL D 181 -9,027 -29.629 -54,586 1.00 B2.58 MOL2 O ATOM 7377 N LEU D 182 -9.188 -31.652 -55.542 1.00 89.33 MOL.2 N ATOM 7378 CA LEU D 18 2 -10.43 8 -31.319 -5 6.213 1.00 99.47 MOL.2 C ATOM 7379 CB LEU D 182 -10.663 -32.212 -57.438 1.00103.48 MOL.2 C ATOM 7380 CG LEU D 182 -9.979 -31.802 -58.741 1.00104.61 MOL.2 C ATOM 7381 CD1 LEU D 182 -10.465 -30.434 -59.175 1.00101.89 MOL2 C ATOM 7382 CD2 LEU D 182 -8.479 -31.803 -58.533 1.00111.01 MOL2 C ATOM 7383 c LEU D 182 -11.675 -31.397 -55.337 1.00105.64 MOL2 C ATOM 7384 O LEU D 182 -12.117 -32.487 -54,957 1.00106.49 MOL2 O ATOM 7385 N GLND 183 -12.244 -30.234 -55.038 1.00111.66 M0L2 N ATOM 7386 CA GLN D 183 -13.452 -30.167 -54.228 1.00117.55 M0L2 C ATOM 7387 CB GLN D 183 -13.296 -29.107 -53.134 1.00121.80 MOL2 C ATOM 7388 CG GLN D 183 -14.429 -29.097 -52.125 1.00127.48 MOL2 C ATOM 7389 CD GLND 183 -14.151 -28.176 -50.956 1.00134,62 MOL2 C ATOM 7390 OE1 GLN D 183 -13.935 -26.976 -51.136 1.00137.26 MOL2 O ATOM 7391 ME2 GLN D 183 -14.154 -28.735 -49.745 1.00136.36 MOL2 N ATOM 7392 C GLN D 183 -14.642 -29.828 -55.132 1,00117.41 M0L2 C ATOM 7393 O GLND 183 -15.074 -28.674 -55.206 1.00115.92 MOL2 O ATOM 7394 N SER D 184 -15.153 -30.848 -55.821 1.00117.21 MOL2 N ATOM 7395 CA SER D 184 -16.284 -30.695 -56.735 1.00116.49 MOL2 C ATOM 7396 CB SER D 184 -17.567 -30.374 -55.952 1.00118.76 MOL2 C ATOM 7397 QG SER 19 184 -18.715 -30.434 -56.785 1.00117.15 M0L2 0 ATOM 7398 C SER D 184 -16.001 -29.599 -57,766 1.00114.43 MOL2 C ATOM 7399 0 SER D 184 -16.331 -28.423 -57.566 1.00113.94 MOL2 Ο ATOM 7400 Ν ASP D 185 -15.373 -30.003 -58.866 1.00109.97 M0L2 N ATOM 7401 CA ASP D 185 -15.027 -29.092 -59.953 1.00106.35 MOL2 C ATOM 7402 CE ASP D 185 -16.276 -28.756 -60.778 1.00109.89 MOL2 C ATOM 7403 CG ASPE 1B5 -16.703 -29.900 -61.6B8 1.00114.04 MOL2 C ATOM 7404 OOl ASP D 185 -16.865 -31.031 -61.181 1.00116.14 MOL2 O ATOM 7405 0D2 ASP E 185 -16.879 -29.666 -62.908 1.00111.22 MOL2 O ATOM 7406 C ASP D 185 -14.362 -27.800 -59.491 1.00101.63 MOL2 C ATOM 7407 O ASPE 185 -14,626 -26.734 -60.036 1.00101.10 MOL2 O ATOM 7408 N LEU E 186 -13.497 -27.894 -58.489 1.00 97.57 MOL2 N ATOM 7409 CA LEU E 186 -12.804 -26.719 -57.982 1.00 94.35 MOL2 C ATOM 7410 CB LEU E 186 -13.771 -25.834 -57.206 1.00 97.44 MOL2 C ATOM 7411 CG LEU E 186 -13.994 -24.493 -57.S94 1.00 98.32 MOL2 C ATOM 7412 CD1 LEU E 186 -14.678 -23.525 -56.955 1.00101.00 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 M0L2 O ATOM 7416 H TYR D 187 -10.545 -26.329 -57.220 1.00 88.85 MOL2 N ATOM 7417 CA TYR D 187 -9.332 -25.589 -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 -5S.747 1.00100.52 MOL2 C At'5m 7422 CD2 TYR D 187 -7.786 -26.308 -59.772 1.00103.60 MOL2 C ATOM 7423 CE2 TYR D 187 -7.615 -27.007 -60.957 1.00106.54 MOL2 C ATOM 7424 CZ TYR D 187 -7.569 -28.378 -60.936 1.00105.62 MOL2 C ATOM 7425 OH TYR D 187 -7.388 -29.067 -62.112 1.00112.90 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 1B7 -9.577 -24.710 -54.9B9 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 -26.826 -51.790 1.00 86.64 MOL2 C ATOM 7431 OG1 THR E 188 -11.155 -26.274 -52.327 1.00 92.13 MOL2 O ATOM 7432 CG2 THR D 188 -9.715 -25.012 -50.412 1.00 85.38 MOL2 C ATOM 7433 C THR D 188 -7.432 -25.618 -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 H LEU D 189 -6.63B -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 -25.7Θ6 -52.035 1.00 67.24 MOL2 C ATOM 7438 CG LEU D 189 -3.627 -24.369 -52.109 1.00 63.59 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 -S.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 M0L2 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.S35 -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 -0.544 -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 MOL.2 N ATOM 7456 CA SER D 192 0.984 -24.018 -43.003 1.00 76.14 MOL2 C ATOM 7457 CB SER E 192 0.948 -25.274 -42.154 1.00 78.39 MOL2 C ATOM 7458 OG SER D 192 1.63B -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 M0L2 O ATOM 74*61 M* VAL Er 19*3- 2.631 -22.716 -4*1.842 1.00 84.79* MOL2 14

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 CGI VAL D 193 2.707 -19.880 -41.523 1.00 87.93 MOI.2 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 M0L2 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 1.00102.47 M0L2 C ATOM 7471 OG1 THR D 194 5.656 -25.054 -38.129 1.00113.20 MOL2 O ATOM 7472 CG2 THR D 194 8.933 -23.850 -36.469 1.00104.71 M0L2 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. IBS -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 M0L2 N ATOM 7476 CA VAL D 195 7.321 -19.793 -36.391 1.00 96.41 M0L2 C ATOM 7477 CB VAL D 195 6.609 -18.518 -36.904 1.00 99.17 M0L2 C ATOM 7478 CGI 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 1.00102.91 M0L2 C ATOM 7480 C VAL D 195 7.448 -19.672 -34.879 1.00 97.60 M0L2 C ATOM 7481 O VAL D 195 6.560 -20.091 -34,129 1.00 91.51 M0L2 O ATOM 7482 N PRO D 196 8.561 -19.0BB -34.410 1.00101.67 MOL2 N ATOM 7483 CD PRO D 196 9.788 -18.768 -35.166 1.00103.43 MOL2 C ATOM 7484 CA PRO D 196 8.774 -18.918 -32.970 1.00105.47 M0L2 C ATOM 7485 CB PRO D 196 10.160 -18.277 -32.900 1.00106.21 M0L2 C ATOM 7486 CG PRO D 196 10.857 -18.870 -34.100 1.00107.54 MOL2 C ATOM 7487 C PRO D 196 7.687 -18.046 -32.331 1.00107.87 MOL2 C ATOM 7488 O PRO D 196 7.369 -16.965 -32.831 1.00107.05 MOL2 O ATOM 7489 N SHR D 197 7.119 -18.533 -31.230 1.00111.25 M0L2 N ATOM 7490 CA SER D 197 6.068 -17.822 -30.501 1.00114.37 MOL2 C ATOM 7491 CB SER D 197 5.747 -18.555 -29.201 1.00114.73 MOL2 C ATOM 7492 OG SER D 197 4.997 -17.719 -28.336 1.00117.18 MOL2 O ATOM 7493 C SER D 197 6.426 -16.376 -30.160 1.00115.72 M0L2 C ATOM 7494 O SER D 197 5.548 -15,517 -30.029 1.00112.73 MOL2 O ATOM 7495 N SER D 198 7.718 -16.117 -30.001 1.00118.69 M0L2 N ATOM 7496 CA SER D 198 8.196 -14.782 -29.668 1.00119.63 MOL2 C ATOM 7497 CB SER D 198 9.660 -14.843 -29.212 1.00121.19 M0L2 C ATOM 7498 OG SER D 198 9.826 -15.760 -28.143 1.00123.39 MOI.2 O ATOM 7499 C SER D 198 8.076 -13.823 -30.848 1.00119.24 M0L2 C ATOM 7500 O SER D 198 7.943 -12.619 -30.650 1.00120.42 M0L2 O ATOM 7501 N THR D 199 8.123 -14.355 -32.070 1.00119.47 MOL2 N ATOM 7502 CA THR D 199 8.033 -13.521 -33.269 1.00119.49 MOL2 C ATOM 7503 CB THR D 199 9.011 -14.010 -34.391 1.00122.39 MOL2 C ATOM' 7504 OG1 THR D 199 8.584 -15.281 -34.899 1.00120.61 M0L2 O ATOM 7505 CG2 THR D 199 10.443 -14.133 -33.842 1.00121.02 MOL2 C ATOM 7505 C THR D 199 6.614 -13.423 -33.840 1.00117.74 M0L2 C ATOM 7507 O THR D 199 6.429 -13.194 -35.036 1.00118.98 MOL2 O ATOM 7508 N TRP D 200 5.620 -13,593 -32.971 1,00115.27 M0L2 N ATOM 7509 CA TRP D 200 4.214 -13.498 -33.358 1.00115.29 MOL2 C ATOM 7510 CB TRP D 200 3.794 -14.690 -34.209 1.00112.54 MOL2 C ATOM 7511 CG TRP D 200 2.404 -14.547 -34.760 1.00112.93 MOL2 C ATOM 7512 CD2 TRP D 200 1.199 -15.0 76 -34.195 1.0 0111.49 M0L2 C ATOM 7513 CE2 TRP D 200 0.133 -14.6B5 -35.039 1.00111-78 M0L2 C ATOM 7514 CE3 TRP D 200 0.916 -15.840 -33.058 1.00108.68 M0L2 C ATOM 7515 CD1 TRP D 200 2.031 -13.872 -35.893 1.00113.78 MOL2 C ATOM 7516 NE1 TRP D 200 0.667 -13.953 -36 .067 1.00111-33 MOL2 N ATOM 7517 CZ2 TRP D 200 -1.192 -15,036 -34 .780 1.00111.08 MOL2 C ATOM 7518 CZ3 TRP D 200 -0.402 -16.188 -32.803 1.00110.71 MOL2 C ATOM 7519 CH2 TRP D 200 -1.438 -15.787 -33.661 1.00110.41 MOL2 C ATOM 7520 C TRP D 200 3.348 -13.462 -32.101 1.00118.97 MOL2 C ATOM 7521 O TRP D 200 3.570 -14.241 -31.171 1.00119.87 MOL2 O ATOM 7522 N PRO D 201 2.337 -12.570 -32.061 1.00121.33 MOL2 N ATOM 7523 CD PRO D 201 1.373 -12.527 -30.948 1.00120.64 MOL2 C ATOM 7524 CA PRO D 201 1-952 -11.607 -33.103 1.00120.57 MOL2 C ATOM 7525 CB" PRO O' 2£tt 0.572- -IT. US' -3-2-.643 1.00120-.36 MOL2 C ATOM 7526 CG PRO D 201 0.101 -12.1S1 -31.666 1.00119.61 M0L2 C ATOM 7527 C PRO D 201 2.925 -10.440 -33.249 1.00120.32 M0L2 C ATOM 7523 O PRO D 201 2.673 -9.522 -34.031 1.0011B.99 MOL2 O ATOM 7529 N SER D 202 4.017 -10,478 -32.482 1.00121.83 M0L2 W ATOM 7530 CA SER D 202 5.046 -9,433 -32.501 1.00123.93 MOL2 C ATOM 7531 CB SER D 202 6.362 -9,976 -31.927 1.00120.25 MOL2 C ATOM 7532 OG SER D 202 7.38Ξ -B.992 -31.938 1.00112.87 M0L2 O ATOM 7533 C SER D 202 5.283 -8.901 -33.913 1.00127.62 M0L2 C ATOM 7534 O SER D 202 4.783 -7,829 -34.275 1.00129.11 M0L2 0 ATOM 7535 N GLUD 203 6.057 -9.640 -34.704 1.00120.68 M0L2 N ATOM 7536 CA GUI D 203 6.317 -9.244 -3G.0B3 1.00129.64 M0L2 C ATOM 7537 CB GLU D 203 7.517 -10.005 -36.649 1.00129.05 MOL2 C ATOM 7538 CG GLU D 203 8.854 -9.554 -36.090 1.00132.77 M0L2 C ATOM 7539 CD GLU D 203 10.022 -10.330 -36.671 1,00134.36 MOL2 C ATOM 7540 OE1 GLU D 203 10.046 -10.528 -37.906 1.00133.87 M0L2 O ATOM 7541 OE2 GLU D 203 10.917 -10.732 -35.895 1.00134.13 M0L2 O ATOM 7542 0 GLU D 203 5.067 -9.578 -36.BB6 1.00131.08 M0L2 C ATOM 7543 O GLU D 203 4.026 -9.920 -36.316 1.00130.66 M0L2 0 ATOM 7544 N THRD 204 5.156 -9.488 -33.207 1.00132.69 M0L2 ΪΓ ATOM 7545 CA THR D 204 3.995 -9.792 -39.035 1.00132.69 M0L2 C ATOM 7546 CB THR D 204 3.553 -8.550 -39.863 1.00134.41 M0L2 C ATOM 7547 0G1 THR D 204 3.013 -7.557 -38.978 1.00133.83 M0L2 O ATOM 7548 CG2 THR D 204 2.495 -8.931 -40.899 1.00132.04 MOL2 C Aipi 7549 C THR D 204 4.204 -10.988 -39.964 1.00130.56 M0L2 C ATOM 7550 0 THR D 204 5.324 -11.295 -40.391 1.00130.19 M0L2 0 ATOM 7551 N VAL D 205 3.104 -11.668 -40.252 1.00126.51 M0L2 N ATOM 7552 CA VAL D 205 3.125 -12.827 -41.118 1.00121.52 MOL2 C ATOM 7553 CB VAL D 205 3.030 -14.114 -40.276 1.00124.28 MOL2 C ATOM 7554 CGI VAL D 205 4.268 -14.228 -39.378 1.00121.43 MOL2 C ATOM 7555 CG2 VAL D 205 1.757 -14.090 -39.427 1.00122.84 M0L2 C ATOM 7556 C VAL D 205 1.945 -12,713 -42.073 1.00117.56 M0L2 C ATOM 7557 0 VAL D 205 0.802 -12.528 -41.649 1.00115.24 M0L2 0 ATOM 7558 N THR D 206 2.219 -12.802 -43.367 1.00112.79 M0L2 N ATOM 7559 CA THR D 206 1.141 -12.691 -44.325 1.00111-02 MOL2 C ATOM 7560 CB THRD 206 1.084 -11.265 -44.917 1.00114.63 MOL2 C ATOM 7561 OG1 THRD 206 0.963 -10.313 -43.849 1.00109.86 I40L2 0 ATOM 7562 CG2 THR D 206 -0.111 -11.114 -4S.849 1.00113.16 MOL2 C ATOM 7563 C THR D 206 1,221 -13.726 -45.435 1.00109.15 MOL2 C ATOM 7564 O THRD 206 2.305 -14.134 -45.863 1,00108.58 M0L2 0 ATOM 7565 N CYS D 207 0.043 -14.156 -45.867 1,00104.94 M0L2 N ATOM 7566 CA CYS D 207 -0.124 -15.136 -46.924 1.00103.36 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 PIQL2 0 ATOM 7569 CB CYS D 207 -1.517 -15.744 -46.702 1.00105.15 MOL2 C ATOM 7570 SG CYS D 207 -1.843 -17.186 -47.834 1.00123.02 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 1.00105.34 MOL2 C ATOM 7574 CG ASN D 208 2.936 -13.463 -49.517 1.00111.70 MOL2 C ATOM 7575 OD1 ASN D 20B 2.369 -12.562 -43.890 1.00114.09 M0L2 O ATOM 7576 ND2 ASN D 208 4.120 -13.956 -49.157 1.00111.26 MOL2 N ATOM 7577 C ASN D 208 0.317 -15.293 -51.665 1.00 96.87 MOL2 C ATOM 7578 0 ASN D 208 1.089 -15.943 -52.3B1 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 CGI 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 -1.6B2 -15.443 -54.179 1.00 88.23 MOL2 C ATOM 7585 O VAI. 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 Er 210 -1.9-9-3- -16.637- -57-.575 1.(10- 39.43 MOL2 e ATOM 7590 O ALA D 210 -1.615 -17.815 -57.642 1.00106.33 MOL2 Ο ATOM 7591 Ν HXS 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.B16 -59.043 1.00 87.59 M0L2 C ATOM 7594 CG HIS D 211 -5.012 -17.859 -59.714 1.00 83.25 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 HI3 D 211 -6.66 0 -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 1.00104.17 MOL2 C ATOM 7600 O HIS D 211 -4.120 -15.495 -61.253 1.00104.17 MOL2 O ATOM 7601 N PRO D 212 -2,364 -16.876 -61.468 1.00111.35 MOL2 N ATOM 7602 CD PRO D 212 -1,230 -17.666 -60.952 1.00117.49 MOL2 C ATOM 7603 CA PRO D 212 -2.080 -16.395 -62.825 1.00115.33 MOL2 C ATOM 7604 CB PROD 212 -0.877 -17.242 -63.242 1.00120.03 MOL2 C ATOM 7605 CG PRO D 212 -0.114 -17.342 -61.952 1.00120.33 MOL2 C ATOM 7606 C PRO D 212 -3.267 -16.532 -63.777 1.00114.41 MOL2 C ATOM 7607 O PRO D 212 -3.687 -15.553 -64.393 1.00113.77 MOL2 O ATOM 7608 M ALA D 213 -3.809 -17.741 -63.885 1.00113.04 MOL2 N ATOM 7609 CA ALA D 213 -4.946 -18.001 -64.764 1.00115.76 KOL2 C ATOM 7610 CB ALA D 213 -5.530 -19.385 -64.440 1.00115.79 M0Ii2 C ATOM 7611 C ALA D 213 -6.041 -16.919 -64.664 1.00115.30 MOL2 C ATOM 7612 O ALA D 213 -6.790 -16.675 -65.622 1.00117.39 MOL2 O ATOM 7613 H SER D 214 -6.125 -16.272 -63.506 1.00110.64 KOL2 ΪΓ ATOM 7614 CA SER D 214 -7.123 -15.234 -63.275 1.00109.17 MOL2 C ATOM 7615 CB SER D 214 -8.030 -15.629 -62.104 1.00108.82 MOL2 C ATOM 7616 OG SER D 214 -8.768 -14.523 -61.618 1.00103.35 MOL2 O ATOM 7617 C SER D 214 -6.451 -13.906 -62.976 1.00111.11 M0L2 C ATOM 7618 O SER D 214 -7.110 -12.935 -62.605 1.00110.06 KOL2 O ATOM 7619 N SER D 215 -5.133 -13.875 -63.137 1.00114.63 MOL2N ATOM 7620 CA SER D 215 -4.337 -12.673 -62.888 1.00118.87 MOL2 C ATOM 7621 CB SER D 215 -4.591 -11.626 -63.989 1.00120-23 M0L2 C ATOM 7622 OG SER D 215 -3.463 -10.778 -64.168 1.00116.07 MOL2 O ATOM 7623 C SER D 215 -4.609 -12.067 -61.501 1.00119.10 MOL2 C ATOM 7624 O SER D 215 -4.390 -10.872 -61.277 1.00119.46 MOL2 O ATOM 7625 N THR D 216 -5.091 -12.892 -60.574 1.00118.68 M0L2 N ATOM 7626 CA THR D 216 -5.354 -12.426 -59.216 1.00116.60 MOL2 C ATOM 7627 CB THR D 216 -6.481 -13.215 -58,532 1.00116.16 MOL2 C ATOM 762B ΟΘ1 THR D 216 -7.665 -13.150 -59.335 1.00114.80 MOL2 O ATOM 7629 CG2 THR D 216 -6.767 -12.635 -57.145 1.00110.81 MOL2 C ATOM 7630 C THR D 216 -4.081 -12.600 -58.397 1.00117.22 M0L2 C ATOM 7631 O THR D 216 -3.238 -13.450 -58.708 1.00119.85 M0L2 O ATOM 7632 N LYS D 217 -3.943 -11.792 -57.354 1.00114.88 M0L2 N ATOM 7633 CA LYS D 217 -2.765 -11.846 -56,497 1.00115.84 MOL2 C ATOM 7634 CB LYS D 217 -1.620 -11.055 -57.141 1.00118.61 M0L2 C ATOM 7635 CG LYS D 217 -2.046 -9.699 -57.675 1.00123.65 M.0L2 C ATOM 7636 CD LYS D 217 -1.064 -9.156 -58.700 1,00124.05 M0L2 C ATOM 7637 CE LYS D 217 -1.624 -7.903 -59.354 1.00124.41 M0L2 C ATOM 7638 NZ LYS D 217 -3.007 -B.134 -59.873 1.00119.34 MOL2 N ATOM 7639 C LYS D 217 -3.108 -11.271 -55.128 1.00113.12 MOL2 C ATOM 7640 O LYS D 217 -2.713 -10.152 -54.795 1.00108.06 M0L2 O ATOM 7641 H VAL D 218 -3.840 -12.056 -54,337 1.00112.90 M0L2 N ATOM 7642 CA VAL D 218 -4.269 -11.637 -53.004 1.00110.59 M0L2 C ATOM 7643 CB VAL D 218 -5.656 -12.250 -52.645 1.00107.90 M0L2 C ATOM 7644 CGI VAL D 218 -6.06B -11.833 -51.233 1.00100.83 MOL2 C ATOM 764Ξ CG2 VAL D 218 -6.700 -11.B03 -53.664 1.00103.53 M0L2 C ATOM 7646 C VAL D 218 -3.293 -11.935 -51.863 1.00112.13 M0L2 C ATOM 7647 O VAL D 218 -2.633 -12.984 -51.833 1.00113.22 M0L2 O ATOM 7648 H ASP D 219 -3.212 -10.983 -50.934 1.00112.43 MOL2 N ATOM 7649 CA ASP D 219 -2.355 -11.072 -49.749 1.00115.90 M0L2 C ATOM 7650 CB ASP D 219 -1.429 -9,846 -49,618 1.00124.25 M0L2 C ATOM 7651 CG ASP D 219 -Q.305 -9.822 -50.643 1.00134.23 MQL2 C ATOM 7652 0D1 ASP D 219 0.555 -10.733 -50.624 1.00137.14 M0L2 O ATOM- 7653 OD2 ASP" & 219 -0.275 - 8.874 -51.461 1.00140.38 MOL2 O'

ATOM 7654 C ASP D 219 -3.289 -11.031 -48.555 1.00113.75 MOL2 C ATOM 7655 O ASP D 219 -4.150 -10.151 -48.493 1.00112.98 MOL2 0 ATOM 7656 N LYS D 220 -3.125 -11.948 -47.608 1.00114.33 MOL2 N ATOM 7657 CA LYS D 220 -3.967 -11.942 -46.415 1.00112.98 MOL2 C ATOM 7658 CB LYS D 220 -4.909 -13.149 -46,405 1.00113.88 MOL2 C ATOM 7659 CG LYS D 220 -6.128 -13.003 -45.484 1,00119.26 MOL2 C ATOM 7660 CD LYS D 220 -7.259 -12.211 -46.153 1.00124.16 MOL2 C ATOM 7661 CE LYS D 220 -8.589 -12.281 -45.354 1.00122.46 MOL2 C ATOM 7662 NZ LYS D 220 -9.769 -11.697 -46.077 1.00114.42 MOL2 N ATOM 7663 C LYS D 220 -3.064 -11.980 -45.186 1.00113.40 MOL2 C ATOM 7664 O LYS D 220 -2.262 -12.901 -45.016 1.00115.05 MOL2 O ATOM 7665 N LYS D 221 -3.175 -10.962 -44.342 1.00114.57 MOL2 N ATOM 7666 CA LYS D 221 -2.372 -10.896 -43.128 1.00116.68 M0L2 C ATOM 7667 CB LYS D 221 -2.352 -9.463 -42.571 1.00123.35 MOL2 C ATOM 7668 CG LYS D 221 -1.714 -9.334 -41.17B 1.00128.89 MOL2 C ATOM 7669 CD LYS D 221 -1,555 -7.875 -40.736 1.00130.70 MOL2 C ATOM 7670 CE LYS D 221 -0.842 -7.770 -39.386 1.00131.81 MOL2 C ATOM 7671 HZ LYS D 221 -0.531 -6.361 -39.001 1.00131.94 MOL2 ΪΓ ATOM 7672 C LYS D 221 -2.980 -11.836 -42.095 1.00114.90 MOL2 C ATOM 7673 0 LYS D 221 -4.204 -11.909 -41.964 1.00111.76 MOL2 O ATOM 7674 N ILE D 222 -2.124 -12.559 -41.376 1.00115.97 MOL2 N ATOM 7675 CA ILE D 222 -2.582 -13.491 -40.345 1.00118.06 MOL2 C ATOM 7676 CB ILE D 222 -1.621 -14.705 -40.190 1.00121.25 MOL2 C ATjOM 7677 CG2 ILE D 222 -1.821 -15.356 -38.823 1.00122.94 MOL2 C AT^M 7678 CGI ILE D 222 -1.895 -15.743 -41.281 1.00121.04 MOL2 C ATOM 7679 CD1 ILE D 222 -3.209 -16.481 -41.092 1.00118.43 MOL2 C ATOM 7680 C ILE D 222 -2.680 -12.790 -38.998 1.00116.34 MOL2 C ATOM 7681 O ILE D 222 -1.666 -12.516 -38.352 1.00114.18 MOL2 O ATOM 7682 N VAL D 223 -3.908 -12.505 -38.578 1.00117.55 MOL2 ΕΓ ATOM 7683 CA VAL D 223 -4.140 -11.830 -37.310 1.00120.95 MOL2 C ATOM 7684 CB VAL D 223 -4.933 -10.521 -37.512 1.00128.80 MOL2 C ATOM 7685 CGI VAL D 223 -4.119 -9.537 -38.358 1.00130,83 MOL2 C ATOM 7686 CG2 VAL D 223 -6.279 -10.B30 -38.173 1.00132.56 MOL2 C ATOM 7687 C VAL D 223 -4.918 -12.716 -36.349 1.00118.69 MOL2 C ATOM 7688 0 VAL D 223 -5,879 -13,385 -36.741 1.00115.68 MOL2 O ATOM 7689 IT PRO D 224 -4.515 -12.709 -35.068 1.00118.99 MOL2 N ATOM 7690 CD PRO D 224 -3.433 -11.B36 -34.576 1.00119.65 MOL2 C ATOM 7691 CA PRO D 224 -5.100 -13.475 -33.963 1.00121.19 MOL2 C ATOM 7692 CB PRO D 224 -4.166 -13.156 -32.792 1.00120.92 MOL2 C ATOM 7693 CG PRO D 224 -3.721 -11.767 -33.091 1.00119.21 MOL2 C ATOM 7694 C PRO D 224 -6.550 -13.137 -33.636 1.00124.07 MOL2 C ATOM 7695 O PRO D 224 -7.150 -12.242 -34.239 1.00122.61 MOL2 0 ATOM 7696 H ARG D 225 -7.095 -13.875 -32,671 1.00130.19 MOL2 N ATOM 7697 CA ARG D 225 -8.465 -13.698 -32.196 1.00139.13 MOL2 C ATOM 7698 CB ARG D 225 -9.151 -15.061 -32.026 1.00137.87 MOL2 C ATOM 7699 CG ARG D 225 -9.317 -15.887 -33.291 1.00134.46 MOL2 C ATOM 7700 CD ARG D 22S -10.057 -17.175 -32.961 1.00134.51 MOL2 C ATOM 7701 NE ARG D 22S -10.826 -17.679 -34.095 1.00138.46 MOL2 N ATOM 7702 CZ ARG D 225 -11.841 -18.534 -33.989 1.00139.86 MOL2 C ATOM 7703 WH1 ARG D 225 -12.488 -18.939 -35.077 1.00136.69 MOL2 N ATOM 7704 NH2 ARG D 225 -12.215 -18.981 -32.793 1.00142.11 MOL2 N ATOM 7705 C ARG D 225 -8.404 -13.006 -30.828 1.00145.80 MOL2 C ATOM 7706 0 ARG D 225 -7.409 -13.143 -30.107 1.00146.28 MOL2 O ATOM 7707 N ASP D 226 -9.469 -12.290 -30.466 1.00152.47 MOL2 N ATOM 7708 CA ASP D 226 -9.529 -11.571 -29.188 1.00158.98 MOL2 C ATOM 7709 CB ASP D 226 -10.587 -10.454 -29.262 1.00161.05 MOL2 C ATOM 7710 CG ASP D 226 -10.243 -9.372 -30.2B8 1.00161.69 MOD2 C ATOM 7711 OD1 ASP D 226 -9.174 -8.733 -3 0.159 1.00160.52 MOL2 O ATOM 7712 0D2 ASP D 226 -11.050 -9.157 -31.220 1.00160.76 MOL2 0 ATOM 7713 C ASP D 226 -9.814 -12.459 -27.963 1,00161.54 MOL2 C ATOM 7714 0 ASP D 226 -8,927 -13.160 -27.469 1.00159.48 MOL2 0 ATOM 7715 N CYS D 227 -11.055 -12.410 -27,475 1.00166.54 MOL2 N ATOM 7716 CA CYS D 227 -11.473 -13.187 -26.301 1.00171.26 MOL2 C ATOM 7717- CB CYS" Er 227 -12.78-4 -12.616 -25.715 1.00179.22 MOL2 C

ATOM 7718 SG CYS D 227 -14.355 -13.267 -26.401 1.00176.60 M0L2 S

ATOM 7719 C CYS D 227 -11.657 -14.679 -26.608 1.00172.68 MOL2 C

ATOM 7720 O CYS D 227 -11.457 -15.078 -27.777 1.00172.11 MOL2 O

ATOM 7721 OXT CYS D 227 -11.994 -15.439 -25.669 1.00173.46 MOL2 O

ATOM 7722 CB GLU H 15 51.662 -25.120 -64.599 1.00165.76 MOL2 C

ATOM 7723 CG GLU S 15 50.846 -24.875 -63.330 1.00164.41 MOL2 C

ATOM 7724 CD GLU E 15 51.155 -25.879 -62.227 1.00162,45 M0L2 C

ATOM 7725 0E1 GLU E 15 52.286 -25.854 -61.695 1.00160.73 M0L2 O ATOM 7726 OE2 GLU E 15 50.268 -26.697 -61.897 1.00158.74 MOL2 0

ATOM 7727 C GLU E 15 51.943 -22.740 -65.385 1.00163.50 MOL2 C

ATOM 7728 O GLU E 15 51.249 -21.928 -64.759 1.00160.46 MOL2 O

ATOM 7729 N GLU E 15 52.006 -24.644 -67.006 1.00163,87 M0L2 N

ATOM 7730 CA GLU E 15 51.393 -24.131 -65.743 1.00164.49 MOL2 C

ATOM 7731 N SER Ξ 16 53.188 -22.472 -65.782 1.00162.49 MOL2 N

ATOM 7732 CA SER Ξ 16 53.814 -21.180 -65.514 1.00160.48 MOL2 C

ATOM 7733 CB SER E 16 54.848 -21.321 -64.390 1.00155.37 M0L2 C

ATOM 7734 OG SER E 16 55.761 -22.369 -64.652 1.00146.87 M0L2 O

ATOM 7735 C SER E 16 54.465 -20.572 -66.762 1.00162.64 MOL2 C

ATOM 7736 O SER E 16 54.681 -15.361 -66.835 1.00162.08 MOL2 O

ATOM 7737 N CYS E 17 54.764 -21.418 -67.743 1,00165.84 MOL2 N

ATOM 7738 CA CYS E 17 55.385 -20.984 -68.994 1.00169.05 MOL2 C

ATOM 7739 CB CYS E 17 55.466 -22.178 -69.959 1.00170.47 MOL2 C

ATOM 7740 SG CYS E 17 54.361 -23.581 -69.559 1.0017D.S9 MOL2 S

ATOM 7741 C CYS E 17 54.644 -19.813 -69.659 1.00169.88 MOL2 C

ATOM 7742 C CYS E '17 53.450 -19.617 -69.426 1.00168.81 MOL2 O

ATOM 7743 H PRO E 18 55.356 -19.011 -70.480 1.00171,24 MOL2 IT

ATOM 7744 CD PRO E 18 56.821 -19.037 -70.640 1.00172.22 MOL2 C

ATOM 7745 CA PRO E 18 54,787 -17.857 -71.191 1.00171.55 M0L2 C

ATOM 7746 CB PRO E IB 55.972 -17.326 -71,991 1.00170.97 M0L2 C

ATOM 7747 CG PRO E 18 57.121 -17.617 -71.089 1.00172.24 M0L2 C

ATOM 7748 C PRO E IB 53.626 -18.273 -72.086 1.00172.56 MOL2 C

ATOM 7749 O PRO E 18 53.825 -18.782 -73.193 1,00172.11 MOL2 O

ATOM 7750 N PRO E 19 52.393 -18.047 -71.612 1.00174.22 MOL2 N

ATOM 7751 CD PRO E 19 52,130 -17.333 -70.347 1.00174.01 MOL2 C

ATOM 7752 CA PRO E 19 51.134 -18.369 -72.290 1.00176.12 MOL2 C

ATOM 7753 CB PRO E 19 50.105 -17.576 -71.482 1.00175.32 MOL2 C

ATOM 7754 CG PRO E 19 50.666 -17.640 -70.096 1.00173.61 MOL2 C

ATOM 7755 C PRO E 19 51.048 -18.030 -73.795 1.00177.67 MOL2 C

ATOM 7756 O PRO E 19 SI . 959 -17.505 -74.403 1.00176.41 MOL2 O

ATOM 7757 N VAL E 20 49.928 -18.506 -74.377 1.00178.75 MOL2 N

ATOM 775B CA VAL E 20 49.634 -18.333 -75.795 1.00178.94 MOL2 C

ATOM 7759 CB VALE 20 49.264 -19.683 -76.448 1.00177.15 MOL2 C

ATOM 7760 CGI VAL E 20 50.459 -20.621 -76.422 1.00175.05 MOL2 C

ATOM 7761 CG2 VAL E 20 48.081 -20.303 -75.712 1.00174.69 MOL2 C

ATOM 7762 C VAL E 20 48.434 -17.392 -75.915 1.00180.62 MOL2 C

ATOM 7763 O VAL E 20 47.744 -17.133 -74.926 1.00179.57 MOL2 O

ATOM 7764 N PRO E 21 48.164 -16.877 -77.129 1.00182.24 MOL2 II

ATOM 7765 CD PRO E 21 48.847 -17.195 -78.399 1.00182.86 MOL2 C

ATOM 7766 CA PRO E 21 47.038 -15.963 -77.362 1.00182.34 MOL2 C

ATOM 7767 CB PRO E 21 46.858 -16.030 -78.878 1.00182.71 MOL2 C

ATOM 7768 CG PRO E 21 4B.270 -16.164 -79.359 1.00182.86 MOL2 C

ATOM 7769 C PRO E 21 45.758 -16.336 -76.602 1.00181.69 MOL2 C

ATOM 7770 O PRO E 21 45.037 -15.459 -76.114 1.00181.15 MOL2 O

ATOM 7771 N GLY E 22 45.476 -17.634 -76.507 1.00180.67 MOL2 N

ATOM 7772 CA GLY E 22 44.287 -18.075 -75.797 1.00179.02 MOL2 C

ATOM 7773 C GLY E 22 43.492 -19.189 -76.460 1.00176.89 MOL2 C

ATOM 7774 O GLY E 22 43.083 -19.075 -77.618 1.00176.38 MOL2 O

ATOM 7775 N GLY E 23 43.271 -20.269 -75.715 1.00174.14 MOL2 N

ATOM 7776 CA GLY E 23 42,512 -21.395 -76.231 1.00169.82 MOL2 C

ATOM 7777 C GLY E 23 43.125 -22.093 -77.431 1.00166.75 MOL2 C

ATOM 7778 O GLY E 23 42.496 -22.190 -78.484 1.00167.74 MOL2 O

ATOM 7779 N SER E 24 44.352 -22.580 -77.276 1.00162.62 MOL2 W

ATOM 7780 CA SER E 24 45.051 -23.287 -78.349 1.00157.52 MOL2 C

ATOM 7781 CB SERE ΐί 4-5.527 -22-.312 -79.438 1.00156.73 MOL2- C ATOM 7702 OG SEH E 24 44.4SS -21.948 -80.306 1.00153.24 MOL2 O' ATOM 7783 C SER E 24 46.252 -24.052 -77.802 1.00154,76 MOL2 C ATOM 7784 O SER E 24 46.885 -23.61S -76.839 1.00156.52 MOL2 O ATOM 77B5 N MET E 25 46.555 -25.189 -78.425 1.00149.50 M0L2 N ATOM 77B6 CA MET E 25 47.674 -26.038 -78.017 1.00143.87 MOL2 C ATOM 7787 CB MET E 25 47.157 -27.224 -77.198 1.00144.07 MOL2 C ATOM 7788 CS MET E 25 46.428 -26.844 -75.912 1.00147.06 MOL2 C ATOM 7789 SD MET E 25 47.499 -26.726 -74.455 1.00149.22 M0L2 S ATOM 7790 CE MET E 25 46.918 -28.149 -73.463 1.00146.97 M0L2 C ATOM 7791 C METE 25 48.413 -26.562 -79.248 1.00140.29 MOL2 C ATOM 7792 0 MET E 25 47.906 -26.485 -80.367 1.00138.37 M0L2 0 ATOM 7793 N LYS E 26 49.607 -27.106 -79.037 1.00137.30 M0L2 N ATOM 7794 CA LYS E 26 50.398 -27.635 -80.142 1.00134.87 M0L2 C ATOM 7795 CB LYS E 26 51.885 -27.670 -79.765 1.00139.86 MOL2 C ATOM 7796 CG LYS E 26 52.739 -26.527 -80.345 1.00144.54 MOL2 C ATOM 7797 CD LYE E 26 52.323 -25.143 -79.831 1.00148.51 MOL2 C ATOM 7798 CE LYS E 26 51.285 -24.461 -80.732 1.00150.28 M0L2 C ATOM 7799 NZ LYS E 26 51.826 -24.051 -82.065 1.00147.62 M0L2 N ATOM 7800 C LYS E 26 49.954 -29.022 -30.606 1.00129.54 MOL2 C ATOM 7801 0 LYSE 26 50.030 -29.998 -79.861 1.00126.97 MOL2 0 ATOM 7802 N LEU E 27 49.483 -29.097 -81.846 1.00124.85 MOL2 N ATOM 7803 CA LEU E 27 49.060 -30.365 -82.423 1.00120.35 MOL2 C ATOM 7804 CB LEU E 27 47.589 -30.328 -82.829 1.00116.49 M0L2 C ATfOM 7805 CG LEU E 27 47.133 -31.589 -83.575 1.00112.14 MOL2 C ATOM 7806 CD1 LEU E 27 47.115 -32.755 -82.613 1.00110.03 M0L2 C ATOM 7807 CD2 LEU E 27 45.759 -31.385 -84.188 1.00106.67 M0L2 C ATOM 7808 C LEU E 27 49.906 -30.661 -83.652 1.00121.58 MOL2 C ATOM 7809 0 LEU E 27 49.665 -30.120 -84.729 1.00120.63 MOL2 O ATOM 7810 N ASP E 28 50.902 -31.521 -83.483 1.00124.70 MOL2 N ATOM 7811 CA ASP E 28 51.780 -31.B87 -84.584 1,00128.71 MOL2 C ATOM 7812 CB ASP E 28 52.836 -32.900 -84.130 1.00133.78 MOL2 C ATOM 7813 CG ASP E 28 53.636 -32.421 -82.934 1.00140.19 M0L2 C ATOM 7814 OD1 ASP E 28 54.226 -31.320 -83.006 1.00144.46 MOL2 O ATOM 7815 OD2 ASP E 28 53.681 -33.154 -81.920 1.00141.62 MOL2 O ATOM 7816 C ASP E 28 50.985 -32.497 -85.726 1.00130.05 MOL2 C ATOM 7817 O ASP E 28 50.007 -33.216 -85.516 1.00128.49 MOL2 O ATOM 7818 ΒΓ XLE E 29 51.417 -32.202 -86.942 1.00133.66 MOL2 N ATOM 7819 CA ILE E 29 50.776 -32.729 -88.133 1.00135.62 M0L2 C ATOM 7820 CB ILE E 29 51.201 -31.912 -89.369 1.00138.97 MOL2 C ATOM 7821 CG2 ILE E 29 50.452 -30.583 -89.395 1.00136.61 MOL2 C ATOM 7822 CGI ILE E 29 52.719 -31.683 -89.338 1.00139.95 MOL2 C ATOM 7823 CD1 ILE E 29 53.226 -30.690 -90.368 1.00139.38 MOL2 C ATOM 7824 C ILE E 29 51.207 -34.186 -88.286 1.00134.73 M0L2 C ATOM 7825 O ILE B 29 52.165 -34.626 -87.644 1.00136.22 M0L2 O ATOM 7826 H GLY E 30 50.499 -34.934 -89.124 1.00131.08 M0L2 N ATOM 7827 CA GLY E 30 50.846 -36.329 -89.314 1.00127.61 M0L2 C ATOM 7828 C GLY E 30 50.227 -37.232 -88.261 1.00124.18 MOL2 C ATOM 7829 O GLY E 30 50.530 -37.129 -87.066 1.00121.16 MOL2 O ATOM 7830 N ILE E 31 49.349 -38.123 -88.710 1.00120.51 MOL2 N ATOM 7831 CA ILE E 31 48.679 -39.055 -87.816 1.00112.52 MOL2 C ATOM 7832 CB ILE E 31 47.232 -39.33B -88.257 1.0010B.57 M0L2 C ATOM 7833 CG2 ILE E 31 46.681 -40.502 -87.476 1.00105.81 M0L2 C ATOM 7834 CGI ILE E 31 46.355 -38.106 -88.042 1.00109.85 M0L2 C ATOM 7835 CD1 ILE E 31 46.629 -36.976 -89.010 1.00115.8D M0L2 C ATOM 7836 C ILE E 31 49.420 -40.376 -87.778 1.00110.19 M0L2 C ATOM 7837 0 ILE E 31 49.772 -40.932 -88.815 1.00113-42 M0L2 0 ATOM 7838 N ILE E 32 49.654 -40.B73 -36.574 1.0010B-04 M0L2 N ATOM 7839 CA ILE E 32 50.344 -42.140 -86.374 1.00107.81 M0L2 C ATOM 7840 CB ILE E 32 50.661 -42.340 -84.890 1.00 9B.99 M0L2 C ATOM 7841 CG2 ILE E 32 50.986 -43.783 -84.619 1.00 96.09 MOL2 C ATOM 7842 CGI ILE E 32 51.796 -41.407 -84.4B0 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 1.00112.29 M0L2 C ATOM 7845 & ILE E 32- 48.386 -43.512- -86.391 1.00115.51 MOL2 &

ATOM 7846 N ASN E 33 50.052 -44.121 -87.766 1.00117.06 MOL2 N ATOM 7847 CA ASN E 33 49.363 -45.295 -88.304 1.00122.38 MOL2 C ATOM 7848 CB ASN E 33 48.759 -46.133 -87.177 1.00118.52 MOL2 C ATOM 7849 CG ASN E 33 49.79S -46.927 -86.418 1.00119.07 MOL2 c ATOM 7850 OD1 ASN E 33 50.413 -47.841 -86.961 1.00119.36 M0L2 O ATOM 7851 ND2 ASN E 33 49.993 -46.584 -85.150 1.00121.47 MOL2 N ATOM 7352 C ASN E 33 4B.262 -44.968 -89.299 1.00128.50 MOL2 C ATOM 7853 O ASN E 33 47.304 -45.727 -89.428 1.00132.14 MOL2 O ATOM 7854 N GLU E 34 48.402 -43.855 -90.013 1.00134.94 MOL2 N ATOM 7855 CA GLUE 34 47.396 -43.438 -90.991 1.00141.44 MOL2 C ATOM 7856 CB GLU E 34 47.833 -42.128 -91.670 1.00139.56 MOL2 C ATOM 7857 CG GLU E 34 46.690 -41.309 -92,283 1.00136.65 KOL2 C ATOM 7858 CD GLU E 34 47.143 -39.952 -92.820 1.00134.53 MOL2 C ATOM 7859 OE1 GLU E 34 47.775 -39.183 -92.060 1.00129.99 MOI/2 O ATOM 7860 OE2 GLUE 34 45.858 -39.652 -94.003 1.00133.64 MOL2 O ATOM 7861 C GLUE 34 47.168 -44.525 -92.042 1.00146.34 MOL2 C ATOM 7862 O GLU E 34 46.245 -44.440 -92.852 1.00146.31 MOL2 O ATOM 7863 N ASN E 35 48.008 -45.554 -92.003 1.00153.14 MOL2 N ATOM 7864 CA ASN E 35 47.939 -46.663 -92.947 1.00159.76 MOL2 C ATOM 7865 CB ASN E 35 49,347 -47.222 -93.180 1.00164.22 MOL2 C ATOM 7866 CG ASN E 35 50.070 -47.551 -91.880 1.00167.00 MOL2 C ATOM 7867 OD1 ASN Ξ 35 50.435 -46.656 -91.116 1.00168.89 MQL2 O ATOM 7868 ND2 ASN E 35 50.275 -48.841 -91.623 1.00167.83 MOL2 N ATOM 7869 C ASN E 35 47.005 -47.B11 -92.551 1.00160.59 MOL2 C ATOM 7870 O ASN E 35 46.604 -48.605 -93.404 1.00163.30 MOL2 O ATOM 7871 N GLN E 36 46.666 -47.916 -91.271 1.00159.41 MOL2 N ATOM 7872 CA GLN E 36 45.784 -48.993 -90.842 1.00159.83 MOL2 C ATOM 7873 CB GLN E 36 45.512 -48.899 -89.339 1.00152.95 MOL2 C ATOM 7674 CG GLN E 36 46.776 -49.016 -88.494 1.00141.32 MOL2 C ATOM 7875 CD GLN E 36 45.548 -49.745 -87.184 1.00132.84 MOL2 C ATOM 7876 OE1 GLN E 36 45.144 -50.905 -87.172 1.00127.00 MOL2 O ATOM 7877 NE2 GLN E 36 46.814 -49.070 -86.075 1,00129.59 MOL2 N ATOM 7878 C GLN E 36 44.485 -48.951 -91.642 1.00165.05 MOL2 C ATOM 7879 O GLN E 36 43.716 -47.989 -91.557 1.00165.30 MOL2 O ATOM 7880 N ARG E 37 44.259 -50.004 -92.428 1.00169.69 MOL2 N ATOM 7881 CA ARG E 37 43.080 -50.105 -93.287 1.00173.53 MOL2 C ATOM 7882 CB ARG E 37 43.319 -51.146 -94.398 1.00172.93 MOL2 C ATOM 7883 CG ARG E 37 42.164 -51.309 -95.410 1.00171.95 MOL2 C ATOM 7884 CD ARG E 37 42.470 -52.411 -96.442 1.00169.85 MOL2 C ATOM 7885 NE ARG E 37 41.321 -52.815 -97.266 1.00167.55 MOL2 N ATOM 7886 CZ ARG E 37 40.895 -52.178 -98.357 1.00165.79 MOL2 C ATOM 7887 NH1 ARG E 37 41.516 -51.086 -98.778 1.00166.96 MOL2 N ATOM 7888 NH2 ARG E 37 39.852 -52.643 -99.041 1.00159.83 MOL2 N ATOM 7889 C ARG E 37 41.790 -50.436 -92.542 1.00175.83 MOL2 C ATOM 7890 O ARGE 37 41.790 -51.190 -91.566 1.00174.15 MOL2 O ATOM 7891 N VALE 38 40.695 -49.856 -93.031 1.00179.53 MOL2 N ATOM 7892 CA VALE 38 39.364 -50.045 -92.462 1.00131.52 M0L2 C ATOM 7893 CB VAL E 38 38.281 -49.336 -93.332 1.00182.97 MOL2 C ATOM 7894 CGI VAL E 38 36.956 -49.274 -92.577 1.00183.06 M0L2 C ATOM 7895 CG2 VAL E 38 38.751 -47.934 -93.725 1.00182.19 MOL2 C ATOM 7896 C VAL E 38 39.023 -51.533 -92.366 1.00180.77 M0L2 C ATOM 7897 O VAL E 38 38,405 -52.099 -93.270 1.00180.76 MOL2 0 ATOM 7898 N SER E 39 39.432 -52.164 -91.268 1.00178.92 MOL2 N ATOM 7899 CA SER E 39 39.163 -53.582 -91.066 1.00177.53 MOL2 C ATOM 7900 CB SERE 39 39.867 -54.092 -89.809 1.00178.45 MOL2 C ATOM 7901 OG SERE 39 39.526 -55.447 -89.561 1.00177.B5 M0L2 0 ATOM 7902 C SER E 39 37.667 -53.835 -90.937 1.00176.25 MOL2 C ATOM 7903 O SSR E 39 37.117 -53.823 -39.834 1.00175.39 MOL2 0 ATOM 7904 N METE 40 37.020 -54.070 -92.074 1.00174.10 MOL2 N ATOM 7905 CA MET E 40 35.584 -54.322 -92.117 1.00168.67 M0L2 C ATOM 7906 CB MET E 40 34.868 -S3.068 -92,635 1.00167.61 M0L2 C ATOM 7907 CG MET E 40 33.356 -53.067 -92.501 1.00164.71 MOL2 C ATOM 7908 SD MET E 40 32,661 -51.506 -93.099 1.00158.86 MOL2 S ATOM 7909 CE- METE 40 39.038- -50.424 -90.726 1.00156.43 M0L2 C

ATOM 7910 C MET E 40 35.309 -S5.508 -93.044 1.00164.35 M0L2 C ATOM 7911 0 MET E 40 34.901 -55.318 -94.183 1.00163.95 MOL2 O ATOM 7912 N SERE 41 35.556 -56.722 -92.554 1.00156.89 MOL2 N ATOM 7913 CA SER E 41 35.316 -57.914 -93.356 1.00150.06 MOL2 C ATOM 7914 CB SER E 41 35.521 -53.183 -92.528 1.00150.16 M0L2 C ATOM 7915 OG SER E 41 35.292 -60.342 -93.315 1.00149.67 MOL2 O ATOM 7916 C SER E 41 33.875 -57.821 -93.826 1.00146.92 MOL2 C ATOM 7917 0 SERE 41 32.944 -58.146 -93.092 1.00147.48 MOL2 0 ATOM 7918 N ARG E 42 33.699 -57.359 -95.057 1.00142.70 MOL2 N ATOM 7919 CA ARG E 42 32.371 -57.178 -95.620 1.00136.00 MOL2 C ATOM 7920 CB ARG E 42 32.4B2 -56.781 -97.096 1.00134.72 MOL2 C ATOM 7921 CG ARG E 42 33.169 -55.432 -97.297 1.00136.79 MOL2 C ATOM 7922 CD ARG E 42 33.201 -55.032 -98.763 1.00143.02 MOL2 C ATOM 7923 NE ARG E 42 33.765 -53.698 -98.969 1.00146.55 MOL2 N ATOM 7924 CZ ARG E 42 33.867 -53.103-100.157 1.00148.75 MOL2 C ATOM 7925 NH1ARGE 42 33.442 -53.721-101.253 1.00148.61 MOL2 N ATOM 7926 NH2 ARG E 42 34.393 -51.887-100.251 1.00147.55 MOL2 N ATOM 7927 C ARG E 42 31.409 -58.351 -95.450 1.00130.16 MOL2 C ATOM 7928 O ARG E 42 31.809 -59.513 -95.312 1.00126.81 MOL2 0 ATOM 7929 N ASN E 43 30.128 -57.995 -95.431 1.00124.14 M0L2 N ATOM 7930 CA ASN E 43 29.007 -58.916 -95.297 1.00115.62 MOL2 C ATOM 7931 CB ASN E 43 28.922 -59.817 -96.534 1.00119.35 MOL2 C ATOM 7932 CG ASN E 43 28.530 -59.042 -97.791 1.00122.58 MOL2 C ATpM 7933 OD1 ASN E 43 29.253 -58.141 -9B.232 1.00121.38 MOL2 0 ATSm 7934 ND2 ASN E 43 27.379 -59.388 -98.368 1.00121.45 MOL2 N ATOM 7935 C ASN E 43 28.878 -59.759 -94.029 1.00106.29 MOL2 C ATOM 7936 0 ASN E 43 27.872 -60.455 -93.867 1.00105.11 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 28.698 -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 M0L2 C ATOM 7940 CG2 ILE E 44 32.186 -60.582 -91.942 1.00 83.11 M0L2 C ATOM 7941 CGI 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 M0L2 C ATOM 7944 0 ILE E 44 28.023 -60.518 -90.203 1.00 72.48 MOL2 O ATOM 7945 N GLU E 45 28.233 -58.658 -91.431 l.OD 73.35 MOL2 N ATOM 7946 CA GLUE 45 27.153 -57.979 -90.750 1.00 72.10 M0L2 C ATOM 7947 CB GLU E 45 27.115 -56.515 -91.191 1.00 71.82 MOL2 C ATOM 7948 CG GLUE 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 MOI.2 C ATOM 7950 OE1 GLU E 45 25.671 -57.128 -93.465 1.00 84.47 MOL2 O ATOM 7951 0E2 GLU E 45 26.73B -55.607 -94.650 1.00 80.02 MOL2 O ATOM 7952 C GLU E 45 25.85B -5Θ.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 67.87 MOL2 C ATOM 7963 CG ARG E 47 28.027 -64.302 -93.629 1.00 66.34 M0L2 C ATOM 7964 CD ARG E 47 29.511 -64.178 -94.016 1.00 61.33 M0L2 C ATOM 7965 NE ARG E 47 30.383 -64.B94 -93.081 1.00 71.70 M0L2 N ATOM 7966 CZ ARG E 47 31.634 -64.538 -92.769 1.00 75,39 M0L2 C ATOM 7967 NH1 ARG E 47 32.195 -63.462 -93.314 1.00 70.80 M0L2 N ATOM 7968 NH2 ARG E 47 32.326 -65.254 -91.388 1.00 77.23 MOL2 N ATOM 7969 C ARG E 47 26.257 -63.997 -90.14B 1.00 65.68 MOL2 C ATOM 7970 O ARG E 47 26.263 -65.151 -89.736 1.00 68.35 M0L2 O ATOM 7971 N SER E 48 26.129 -62.S57 -89.331 l.OD 60.86 M0L2 N ATOM 7972 CA SER E 48 26.007 -63.144 -87.891 1.00 57.17 M0L2 C ATOM- 7973- eB- SERE 43 26.259-61.844 -&T.162 1.09 56.06 M&L2 C ATOM 7974 OG SER E 48 26.119 -61.967 -85.767 1.00 56.81 M0L2 0 ATOM 7975 C SER E 48 24.615 -63 .601 -87.468 1.00 58.73 M0L2 C ATOM 7976 O SER E 48 23.625 -63 .316 -88.141 1.00 57.30 MOL2 0 ATOM 7977 N THR E 49 24.544 -64,320 -86.351 1.00 58.32 MOL2 if 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 M0L2 O ATOM 7981 CG2 THR E 49 23.839 -67.162 -85.286 1.00 63.93 M0L2 C ATOM 7982 C THR E 49 22,517 -63.577 -85.300 1.00 53.59 M0L2 C ATOM 7983 0 THR E 49 21.354 -63,666 -84.952 1.0D 5B.38 MOL2 0 ATOM 7984 N SER E 50 23.212 -62.451 -85.223 1.00 54.20 MOL2 N ATOM 7985 CA SERE 50 22.642 -61.199 -84.745 1.00 51.98 M0L2 C ATOM 7986 CB SER E 50 23.176 -60.870 -83.343 1.00 60.19 M0L2 C ATOM 7987 OG SER E 50 24.595 -60.942 -83.265 1.00 60.92 MOL2 O ATOM 7988 C SERE 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 MOE2 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 MDL2 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 M0L2 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.SB ΜΟΊ32 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 MOA2 C ATOM 8005 NB1 TRP E 52 27.365 -54 .646 -88.548 1.00 47.01 MOL2 H ATOM 8006 CZ2 TRP E 52 28.704 -56.614 -87.782 1.00 33.73 MOt.2 C ATOM B007 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 MOL.2 C ATOM B009 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 ASM E 53 22.713 -52.713 -90.946 1.00 60.83 MOL2 C ATOM B013 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 MOIj2 C ATOM 8015 OD1 ASN E 53 19.115 -52.957 -91.522 1.00 91.13 MOL2 0 ATOM 8016 ND2 ASN E 53 20.792 -54.313 -92.18B 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 Ξ 54 28.531 -51.732 -92.538 1.00 94.87 MOL2 C ATOM 8024 CE1 TYR B 54 29.520 -52.546 -91.971 1.00101.40 M0L2 C ATOM 8025 CD2 TYR E 54 27.539 -51.441 -90.389 1.00 91.15 MOL2 C ATOM 8026 CE2 TYRE 54 28.525 -52.252 -B9.814 1.00 92.49 MOL2 C ATOM 8027 CZ TYRE 54 29.509 -52.799 -90.610 1.00 96.52 MOL2 C ATOM 8028 OH TYRE 54 30.487 -53.596 -90.056 1.00102,91 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 MOl.2 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 53 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 M0152 C ATOM 8037 er THR- E 55 26.353 -45.205 -90.851 1.00 70.50 MOl.2· Cr

ATOM 8038 N VAL E 58 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 CGI 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 THE. E 57 27.833 -41.629 -92.521 1.00 58.69 M0L2 N ATOM 8046 CA THR E 57 27.626 -40.201 -92.499 1.00 63.82 MOL2 C ATOM 8047 CB THR E 37 27.309 -39.733 -91.056 1.00 67.38 M0L2 C ATOM 8048 OG1 THR E 57 28.520 -39.593 -90.290 1.00 63.97 MOL2 0 ATOM 8049 CG2 THR E 57 26.404 -40.776 -90.374 1.00 65.24 MOL2 C ATOM B050 C THR E 57 28.934 -39.622 -92.990 1.00 62.36 MOL2 C ATOM 8051 0 THR E 57 29.990 -40.123 -92.640 1.00 58.52 MOL2 0 ATOM 8052 N TRP E 58 28.871 -3B.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 B055 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 M0L2 C ATOM 8059 CD1 TRP E 53 32.727 -38.1D3 -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 aÍSm 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 56.53 MOL2 C ATOM 8065 O TRP E 58 29.213 -35.754 -94.348 1.00 63.01 MOL2 O ATOM 8066 M ASP E 59 31.219 -36.043 -93.401 1.00 50.44 MOL2 H 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 I40L2 C ATOM 8070 OD1 ASP E 59 32.027 -32.228 -91.853 1.00 61.86 MOL2 O ATOM 8071 0D2 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 0 ASP E 59 33.728 -34.595 -92.785 1.00 54.75 MOL2 O ATOM 8074 NT PRO E SO 32.384 -33.389 -94.444 1.00 51.08 M0L2 N ATOM 8D7E CD PRO E 60 32.016 -33.418 -95.623 1.00 50.12 MOL2 C ATOM 8076 CA PRO E SO 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 MOD2 C ATOM 8080 0 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 ASH 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 M0L2 C ATOM 8088 0 ASN E 61 35.362 -31.298 -89 .39B 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 ΜΟΠ.2 C ATOM 8091 CB ARG E 62 34.194 -34.787 -89.500 1.00 50.21 M0L2 C ATOM 8092 CG ARG E 62 34.311 -36.035 -88.668 1.00 42.12 M0L2 C ATOM 8093 CD ARG E 62 32.9B2 -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 -30.194 -88.381 1.00 40.48 MOL2 N ATOM 8097 NH2 ARG E 62 30.849 -38.700 -90.587 1.00 40.15 M0L2 N ATOM 8098 C ARG E 62 36.548 -35.172. -90.073 1.00 60.67 MOL2 C ATOM 8099 0 ARG E 62 36.480 -35.764 -91.150 1.00 58.25 MOL2 0 ATOM 8100 N ΤΪΈ E 63 37.485 -35.441 -89.174 1.00 59.80 MOL2 N ATOM 9101 CA TTR 2 51 30.432 -36.512 -99-.439- 2.00 60.11 MOL2 C

ATOM 8102 CB TYR E 63 39.871 -36.025 -39.508 1.00 72.93 M0L2 C ATOM 8103 CG TYR E 63 40.035 -37.175 -39.726 1.00 74.02 MOL2 C ATOM 8104 CD1 TYR E 63 42.055 -37.229 -39.071 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 B 63 40.510 -38.210 -90.577 1.00 77.48 M0L2 C ATOM 8107 CE2 TYR E 63 41.364 -39.269 -90.775 1.00 84.63 M0L2 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 M0L2 O ATOM 8110 C TYRE 63 30.356 -37.546 -38.346 1.00 55.62 M0L2 C ATOM 8111 0 TYR E 63 38,590 -37.246 -37.172 1.00 57.14 M0L2 0 ATOM 8112 N PRO E 64 37.989 -38.775 -88.710 1.00 49.22 MOL2 K ATOM 8113 CD PRO E 64 37.76B -39.882 -87.772 1.00 51.20 M0Ij2 C ATOM 8114 CA PRO E 64 37.652 -39.199 -90.067 1.00 52.71 M0L2 C ATOM 8115 CB PRO E 64 37.484 -40.694 -89.914 1.00 52.36 MOL2 C ATOM 8115 CG PRO E 64 36.860 -40.793 -88.578 1.00 49.35 M0L2 C ATOM 8117 C PRO E 64 36.375 -38.570 -90.606 1.00 58.3B M0L2 C ATOM 3118 0 PRO E 64 35.459 -38.254 -89.856 1.00 64.95 M0L2 0 ATOM B119 N SER E 65 36.309 -38.428 -91.921 1.00 58,49 MOL2 N ATOM 8120 CA SER E 6Ξ 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 58.3B M0L2 C ATOM 8122 OG SER E 65 35.377 -38.696 -94.813 1.00 50.72 MOL2 0 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.Θ11 -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 M0L2 C ATOM 8128 CG GLU E 66 34.518 -41.987 -94.597 1.00 82.21 M0L2 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 1.00101.45 MOL2 O ATOM 8131 OE2 GLUE 65 36.306 -41.054 -93.271 1.00 97.26 M0L2 0 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 Ξ 67 31.763 -41.766 -90.825 1.00 48.38 MOL2 N ATOM 8135 CA VAL E 67 31.592 -42.432 -B9.552 1.00 44.3B MOL2 C ATOM 8136 CB VAL B 67 31.315 -41.495 -B8.419 1.00 41.29 MOL2 C ATOM 8137 CGI VAL B 67 31.101 -42.303 -B7.156 1.00 34.89 M0L2 C ATOM 8138 CG2 VAL E 67 32.487 -40.566 -ΒΘ.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 -B9.598 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 VALE 68 30.083 -46.733 -90.699 1.00 44.80 MOL2 C ATOM 8144 CGI VAL E 68 31.587 -46.827 -90.679 1.00 51.42 MOL2 C ATOM 8145 CG2 VALE 68 29.438 -48.049 -90.273 1.00 38.95 M0L2 C ATOM 8146 C VALE 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 0 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 FlOL2 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 P10L2 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 0 GLN E 69 25.6S7 -47.909 -88.674 1.00 49.92 MOL2 0 ATOM 8157 N ALA E 70 26.201 -48.B86 -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 0 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 21.25 7- -49.4(77- -87.821 1.04 72.60 MOL2 C

ATOM 8166 CD GLN E 71 20.024 -48.832 -88.507 1.00 89.45 M0L2 C ATOM 8167 OE1 GAN E 71 19.225 -48.123 -87.8BO 1.00 92.14 MOL2 O ATOM 8168 NE2 GLN E 71 19.B56 -49.143 -89.798 1.00 91.96 MOL2 M ATOM 8169 C GLN E 71 21.441 -52.513 -8 6.053 1.00 41.89 MOL2 C ATOM 8170 O GLN E 71 21.283 -53.038 -87.138 1.00 39.47 M0L2 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 3173 C CYS E 72 19.472 -54.722 -85.763 1.00 48.09 MOL2 C ATOM 8174 O CYS E 72 18.4S9 -54.048 -85.531 1.00 46.70 MOL2 O ATOM 8175 CB CYS E 72 20.556 -55.108 -83,540 1.D0 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 IB.382 -55.909 -87.592 1.00 58.95 MOL2 C ATOM 8179 CB ARG E 73 18.B08 -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 M0L2 C ATOM 8181 CD ARG E 73 19.235 -56 .699 -91.191 1.00 91.12 MQL2 C ATOM 8182 NE ARG E 73 18.715 -58.048 -90.981 1.00107.33 MOL2 N ATOM 8183 CZ ARG E 73 18.205 -58.827 -91.928 1.00113.35 MOL2 C ATOM 8184 NH1 ARG E 73 18.141 -58.395 -93.IBS 1.00113.41 MOL2 N ATOM 8185 NH2 ARG E 73 17.748 -60.037 -91.606 1.00114.87 M0L2 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 M0L2 0 ATOM 8188 N ASN E 74 17.331 -57.309 -85.887 1.00 60.75 MOL2 N AT$4 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 63.80 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 0 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 -33.696 1.00 55.64 MOL2 C ATOM 8195 0 ASN E 74 17.282 -57.316 -83.175 1.00 54,84 MOL2 O ATOM B196 N Iffl E 75 15.292 -58 .320 -82.992 1.00 55.82 MOL2 N ATOM 8197 CA LEU E 75 15.304 -56.273 -81.534 1.00 57.06 MOL2 C ATOM 8198 CB LEU E 75 13.893 -58.148 -BO.958 1.00 52.04 MOL2 C ATOM 8199 CG LEU E 75 13.217 -56.784 -80.985 1.00 51.80 M0L2 C ATOM 8200 CD1 LEU E 75 12.080 -56.788 -79.997 1.00 49.65 MOL2 C ATOM 3201 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.S4S -80.997 1.00 63.81 MOL2 C ATOM 8203 0 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.SB4 1.00 66.68 MOL2 N ATOM 8205 CA GLY E 7S 16.087 -61.949 -81,158 1.00 71.12 M0L2 C ATOM 8206 C GLY E 76 17.291 -62.285 -32.022 1.00 76.93 MOL2 C ATOM 8207 O GLY E 76 17.827 -61.409 -82.705 1.00 79.58 M0L2 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 0 CYS E 77 17.166 -65.294 -B3.764 1.00 81.20 MOL2 O ATOM 8212 CB CYS E 77 19.917 -64.690 -81.977 1.00 78.22 M0L2 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 7B 17.856 -64.245 -B7.222 1.00 64.70 MOL2 C ATOM 3218 CGI ILE E 78 20.034 -65.386 -87.764 1.00 85.80 M0L2 C ATOM 8219 CD1 ILE Ξ 78 20.612 -66.611 -88.489 1.00 90.17 MOL2 C ATOM 8220 C ILE E 78 19.332 -67.492 -B5.88E 1.00 89.07 M0L2 C ATOM 8221 O ILE E 78 20.520 -67.550 -B5.586 1.00 92.56 M0L2 0 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 1.00110.09 MOL2 C ATOM 8224 CB ASN E 79 18.358 -70.920 -85.585 1.00107.86 MOL2 C ATOM 8225 CG ASN E 79 17.128 -71.233 -86.377 1.00108.80 MOL2 C ATOM 8226 OD1 ASN E 79 16.256 -70.385 -86.534 1.00110.53 MOL2 O ATOM 3227 ΝΌ2 ASN E 79 17.047 -72.452 -86.897 1.00113.64 MOL2 N ATOM 8228 C ASN E 79 19.592 -70.311 -B7.671 1.00118.27 MOL2 C ATOM- 8-229 G ASIf & T9 19.956 - 69.475 - 88.581 1.88121.27 MGL2 G

atom 8230 N ALA E 80 19.514 -71.615 -87.935 1.00125.19 MOL2 N ATOM 8231 CA ALA E 80 19.834 -72.158 -89.256 1.00130.61 MOL2 C ATOM 8232 CB ALA E 80 19.715 -73.673 -89.233 1.00128.53 MOL2 C ATOM 8233 C ALA E 80 18.878 -71.571 -90.291 1.00134.25 M0L2 C ATOM 8234 O ALA E 80 18.054 -72.287 -90.865 1.00133.17 MOL2 O ATOM 8235 N GLN E 81 19.009 -70.265 -90.521 1.00137.89 MOL2 N ATOM 8236 CA GLN E 81 18.156 -69.523 -91.445 1,00139.14 MOL2 C ATOM 8237 CB GLN Ξ 81 18.337 -70.014 -92.887 1.00144.30 M0L2 C ATOM 8238 CG GLN E 81 19.145 -69.054 -93.762 1.00149.40 M0L2 C ATOM 8239 CD GLN E 81 19.094 -69.405 -95.243 1.00152.3D MOL2 C ATOM 8240 DEI GLN E 81 19.635 -70.427 -95.S71 1.001B3.27 MOL2 O ATOM 8241 NE2 GLN Ξ 81 18.436 -68.556 -96.031 1.00150.03 MOL2 N ATOM 8242 C GLN E 81 16.698 -69.655 -91.021 1.00135.84 MOL2 C ATOM 8243 O GLN E 81 15.786 -69.412 -91.808 1.00135.95 MOL2 0 ATOM 8244 N GLY E 82 16.489 -70.022 -89.760 1.00131.45 M0L2 N ATOM 8245 CA GLY E 82 15.140 -70.198 -89.255 1.00126.03 M0B2 C ATOM 8246 C GLY E 82 14.604 -69.061 -88.410 1.00119.59 MOL2 C ATOM 8247 O GLY E 82 14.038 -69.284 -87.342 1.00117.87 MOL2 O ATOM 8248 N LYS E 83 14.769 -67.842 -88.903 1.00114.72 M0L2 N ATOM 8249 CA LYS E 83 14.314 -66.643 -88.210 1.00114.48 MOL2 C ATOM 8250 CB LYS Ξ 83 12.882 -66.288 -88.642 1.00119.53 MOL2 C ATOM 8251 CG LYS E 83 12.830 -65.305 -89 .833 1.00123 .26 MOL2 C ATOM 8252 CD LYS E 83 13.557 -63.989 -89.496 1.00122.89 M0L2 C ATOM 3253 CE LYS E S3 13.596 -62.996 -90.660 1.00121.89 MOL2 C ATOM 8254 NZ LYS E 83 14.360 -61.750 -90.315 1.00114.22 MOL2 N ATOM 8255 C LYS E 83 14.442 -66.610 -86.677 1.00108.72 MOL2 C ATOM 8256 O LYS E 83 14.914 -67.556 -06.047 1.00105.13 MOL2 O. ATOM 8257 N GLU E 84 14.023 -65.482 -86.105 1.00102.09 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 Ξ 84 13.637 -62.700 -84.802 1.00 86.66 M0L2 C ATOM 8251 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 8254 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 8256 N ASP E 85 14.546 -66.139 -82.528 1.00 82.08 MOL2 N ATOM 8267 CA ASP Ξ 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 -69.530 -79.925 1.D0 B5.99 MOL2 O ATOM 8271 OD2 ASP E 85 14.729 -68.821 -79.365 1.00 83.71 M0L2 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 M0L2 N ATOM 8275 CA ILE E 86 13.344 -64.510 -78.819 1.00 71,69 M0L2 C ATOM 8276 CB ILE E 86 11.875 -64.045 -78.634 1.00 71.23 M0L2 C ATOM 8277 CG2 ILE S 86 11.667 -63.457 -77.263 1.00 77.83 M0L2 C ATOM 8278 CGI ILE E 86 11.527 -62.988 -79.674 1.00 69.23 MOL2 C ATOM 8279 CD1 ILE Ξ 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 14.05B -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 82B3 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 B2B5 OG SER E 87 15.928 -68.635 -77.239 1.00 78.01 MOL2 0 ATOM 8286 C SER E 87 15.886 -66 .044 -75.729 1.00 71.37 M0L2 C ATOM 82 87 O SER E 8 7 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 M0L2 N ATOM 8289 CA MET E 88 17.861 -64.833 -76.538 1.00 68.21 M0L2 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 M0L2 C ATOM 8292 SD MET E 88 20.421 -68.022 -77.268 1.00102.29 M0L2 S ATOM- 8293 CE MET & BT 19.439-68'.906 - 78--523 1.00 93.64 MCrL2 C

ATOM 8294 C MET E 88 27.738 -53.650 -77.539 1.00 62.85 MOL2 C ATOM 8295 O MET E B8 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 S3.95 MOL2 O ATOM 3301 ND2 ASN E 89 15.676 -60.787 -75.932 1.00 61.21 KOL2 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 8305 CB SER E 90 20.652 -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 M0JL2 O ATOM 8308 C SER E 90 20.B74 -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 22.2BB -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 CGI VAL· E 91 21.187 -56.883 -76.658 1.00 44.38 MOL2 C ATOM 3314 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 MOL.2 O ATOM 8317 N PRO E 92 23.440 -54.443 -79.496 1.00 42.31 MOL.2 N AtSm 8318 CD PRO E 92 22.345 -53.554 -79.093 1.00 42.44 MOL.2 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 ERO E 92 23.028 -52.208 -79.090 1.00 41.06 MOI.2 C ATOM 8322 C ERO E 92 25.748 -53.621 -79.191 1.00 43.13 MOI.2 C ATOM 8323 O PRO E 92 25.655 -53.723 -77.974 1.00 42.59 MOL.2 O ATOM 8324 N ILE E 93 26.892 -53.453 -79.837 1.00 48.16 ΜΟΪ.2 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 CGI ILE E 93 28.729 -55.730 -79.601 1.00 51.27 MOL.2 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 -B0.679 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 -78.453 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 M0L2 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 -46.063 -78.653 1.00 62.87 M0L2 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 -48.1E4 -78.597 1.00 85.35 M0L2 C ATOM 8346 OS1 GLN E 95 37.015 -47.749 -7B.601 1.00 89.40 M0L2O ATOM 8347 NE2 GLN E 95 35.287 -48.723 -77.526 1.00 86.40 M0L2 N ATOM 8348 C GLN E 95 32.753 -46.541 -78.705 1.00 64.12 M0L2 C ATOM 8349 0 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 GLUE 96 33.480 -44.477 -77.663 1.00 68.39 M0L2 C ATOM 8352 CB GLU E 96 33.680 -43.969 -76.235 1.00 81.52 M0L2 C ATOM 8353 CS GLU E 96 34.980 -44.494 -75.605 1.00107.35 MOL2 C ATOM 8354 CD GLUE 96 35.366 -43;816 -74.290 1.00119,77 MOL2 C ATOM 8355 OE1 GLU E 96 34.585 -43.908 -73,313 1,00126.29 MOL2 0 ATOM 8356 OE2 GLU E 96 36 ,460 -43.199 -74.236 1.00121.87 MOL2 O ATOM- 8357- C GLU & 96 34.734 - 44.177 -78.478 1.00 63.33 MOL2 C

ATOM 8358 O GLU E 96 35.786 -44.764 -78.243 1.00 58.01 M0L2 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 -B1.692 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 K 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 3B.867 -39.411 -80.421 1.00 47.88 MOL2 C ATOM 8359 CG LÉU 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 83 73 0 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 M0L2 H ATOM 8375 CA VAL E 99 37.076 -37.466 -84.059 1.00 43.63 MOL2 C ATOM 8376 CB VAX. E 99 35.686 -37.468 -84.676 1.00 36.40 MOL2 C ATOM 8377 CGI 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 B3B2 ' 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 CGI 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 M0L2 C ATOM 8386 C VAL E 100 37.489 -33.181 -B5.859 1,00 61.88 M0L2 C ATOM B387 0 VAL E 100 37.089 -33.566 -86.954 1.00 61.99 M0L2 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 M0L2 C ATOM 8390 CB ARG E 101 35.261 -30.471 -B5.077 1.00 78.41 M0L2 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 .B46 -BS.677 1.00 87.29 M0L2 C ATOM 8393 NE ARG E 101 32.050 -31.429 -86.929 1.00 89.15 M0L2 N ATOM 8394 CZ ARG E 101 31.724 -32.691 -86.666 1.00 97.26 M0L2 C ATOM 83 95 NH1 ARG E 101 32.615 -33.513 -86.129 1.00101.19 M0L2 N ATOM 8396 NH2 ARG E 101 30.510 -33 *144 -86.957 1.00101.44 M0L2 N ATOM 8397 C ARG E 101 37.212 -29.889 -86.523 1.00 79.13 M0L2 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 M0L2 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 M0L2 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 NHL ARG E 102 40.873 -28.696 -94.198 1.00 96.35 MOL2 N ATOM 8407 NH2 ARG E 102 38.818 -39.460 -94.884 1.00 92.42 MOL2 N ATOM 8408 C ARG E 102 36.859 -27.143 -88.312 1.00102.33 MOL2 C ATOM 8409 O ARG E 102 36.078 -26.904 -89.227 1.00109.01 MOL2 O ATOM 8410 N LYS E 103 36.975 -26.358 -87.241 1.00107.68 MOL2 N ATOM 8411 CA LYS E 103 36.172 -25.150 -87.074 1.00116,53 MOL2 C ATOM 8412 CB LYS E 103 36.121 -24.745 -85.595 1.00120.05 MOL2 C ATOM 8413 CG LYS Ξ 103 35.175 -25.552 -84.711 1.00122.89 MOL2 C ATOM 8414 CD LYS E 103 35.071 -24.912 -83.321 1.00126.56 MOL2 C ATOM 8415 CE LYS E 103 34.599 -23.449 -83.411 1.00130.65 MOL2 C ATOM 8416 NZ LYS E 103 34.624 -22.698 -82.111 1.00128.86 MOL2 N ATOM 8417 C LYS E 103 36.664 -23 .956 -87.B91 1.00122.22 MOL2 C ATOM 8418 O LYS E 103 37.867 -23.740 -88.025 1.00124.36 MOL2 O ATOM 8419 N HIS Ξ 104 35.714 -23.137 -88.424 1.00128.02 MQL2 N ATOM 3420 CA HIS E 104 35.993 -21.995 -89.223 1.00133.44 MOL2 C ATOM 8421 C& HIS E 104 3-6.826 -21.029 -88-.407 1.00135,12 MOL·2 C ATOM 8422 CG HIS E 104 3S. 226 -20.694 -S7.086 1.00141.12 M0L2 C ATOM 8423 CD2 HIS E 104 34.936 -20.701 -B6.677 1.00143.94 MOL2 C ATOM 8424 ND1 HIS E 104 36.974 -20.320 -85.990 1.00145.74 M0L2 N ATOM 8425 GE1 HIS E 104 36,170 -20.115 -84.962 1.00148.35 MOL2 C ATOM 8426 NE2 HIS E 104 34.928 -20.339 -85.352 1.00148.24 MOL2 U ATOM 8427 C HIS E 104 36.659 -22.305 -90.558 1.00137.66 MOL2 C ATOM 8423 O HIS E 104 36.969 -23.461 -90.851 1.00137.91 MOL2 0 ATOM 8429 N GLN E 105 36.365 -21.272 -91.373 1.00141.34 MOL2 N ATOM 8430 CA GLN E 105 37.472 -21.447 -92.694 1.00144.01 MOL2 C ATOM 8431 CE GLN E 105 36.443 -21.151 -93.800 1.00143.87 MOL2 C ATOM 8432 CG GLN E 105 35.011 -21.615 -93.506 1.00145.95 MOL2 C ATOM 8433 CD GLN E 105 34.162 -20.553 -92.795 1.00146.60 MOL2 C ATOM 8434 OE1 GLN E 105 34.565 -19.995 -91.772 1.00146.19 M0L2 0 ATOM 8435 NE2 GLN E 105 32.977 -20.281 -93.339 1.00145.01 MOL2 N ATOM 8436 C GLN E 105 38.702 -20.561 -92.912 1.00144.82 MOL2 C ATOM 8437 0 GLN E 105 39.045 -19.725 -92.070 1.00146.22 M0L2 0 ATOM 8438 N GLY E 106 39.364 -20.758 -94.049 1.00143.26 MOL2 N ATOM B439 CA GLY E 106 40.534 -19.965 -94.379 1.00140.46 MOL2 C ATOM 8440 C GLY E 106 41.700 -20.064 -93.416 1,00139.38 MOL2 C ATOM 8441 O GLY E 106 42.065 -21.153 -92.982 1.00136.71 MOL2 0 ATOM 8442 N CYS E 107 42.282 -18.914 -93.084 1.00140.88 MOL2 N ATOM 8443 CA CYS E 107 43.436 -18.846 -92.187 1.00141.09 MOL2 C ATOM 8444 CB CYS E 107 44.184 -17.524 -92.394 1.00144,81 M0I.2 C ATOM 8445 SG CYS E 107 44.506 -17.088 -94.132 1.00150.21 MOL2 S Al^M 8446 C CYS E 107 43.042 -18.969 -90.724 1.00138.31 MOL2 C ATOM 8447 O CYS E 107 43.869 -19.298 -89.874 1.00134.91 MOL2 O ATOM 8448 N SER E 108 41.775 -18.693 -90.439 1.00137.79 MOL2 N ATOM 8449 CA SER E 108 41.250 -18.761 -89.080 1.00137.23 MOL2 C ATOM 8450 CB SER E 108 40.115 -17.748 -88.935 1.00136.25 MOL2 C ATOM 8451 OG SER E 108 39,337 -17.709 -90.122 1.00133.03 MOL2 O ATOM 8452 C SERE 10B 40.755 -20.164 -88.720 1.00135.53 MOL2 C ATOM 8453 O SER E 108 39.730 -20.316 -88.052 1.00135.14 MOL2 O ATOM 8454 N VAL E 109 41.498 -21.183 -89.150 1.00133.48 MOL2 N ATOM 8455 CA VAL E 109 41.126 -22.575 -88.886 1.00127.95 M0L2 C ATOM 8456 CB VALE 109 41.530 -23.517 -90.053 1.00126.09 MOL2 C ATOM 8457 CGI VALE 109 43.048 -23.621 -90.153 1.00123.85 MOL2 C ATOM 8458 CG2 VAL E 109 40.930 -24.892 -89.832 1.00122.13 M0L2 C ATOM 8459 C VAL E 109 41,701 -23.170 -87.600 1.00125.62 MOL2 C ATOM 8460 O VAL E 109 42.902 -23.074 -87.318 1.00125.31 MOL2 O ATOM 8461 N SER E 110 40.817 -23.792 -86.828 1.00121.03 MOL2 N ATOM 8462 CA SER E 110 41.188 -24.438 -85.576 1.00116.37 M0L2 C ATOM 8463 CB SER E 110 40.598 -23.681 -84.380 1.00118.52 M0L2 C ATOM 8464 OG SER E 110 39.182 -23.629 -84.436 1.00117.06 MQL2 0 ATOM 8465 C SER E 110 40.655 -25.869 -85.605 1.00111.B2 MOL2 C ATOM 8466 O SER E 110 39.785 -26.195 -86.416 1.00111.72 MOL2 O ATOM 8467 N PHE E 111 41.179 -26.717 -84.724 1,00103.94 M0L2 N ATOM 8468 CA PHE E 111 40.768 -28.117 -84.647 1.00 94.38 M0L2 C ATOM 8469 CB PHE E 111 41.935 -29.025 -84.994 1.00 95.39 M0L2 C ATOM 8470 CG PHE E 111 42.360 -28.947 -86.413 1.00 96.16 M0L2 C ATOM 8471 CD1 PHE E 111 43.616 -29.383 -86.790 1.00 98.09 MQL2 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 1.00102.22 MOL2 C ATOM 8474 CE2 PHE E 111 41.880 -28.426 -88.705 1.00102.39 MOL2 C ATOM 8475 CZ PHE E 111 43.138 -28.865 -89.072 1.00103.46 M0L2 C ATOM 8476 C PHE E 111 40.325 -28.459 -83.246 1.00 89.06 MOL2 C ATOM 8477 0 PHE E 111 41.009 -28.124 -82.288 1.00 92.32 M0L2 0 ATOM 8478 N GLN E 112 39.205 -23.156 -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.B13 -28.977 -80.171 1.00 90.55 MOL2 C ATOM 8482 CD GLN E 112 35-B73 -27.876 -79.748 1.00 91.46 MOL2 C ATOM 0483 OE1 GLN E 112 35.122 -27.334 -80.563 1.00 88.26 M0L2 0 ATOM 8484 NE2 GLN E 112 35.901 -27.541 -78.462 1.00 97.18 MOL2 N ATOM 8485 d SLÍ7 E 112 39.376 -31.031 -81.738 1.8Ó 82.43 MM.1 8 ATOM B4S6 O GLN E 112 37.S5S -31.602 -82.695 1.D0 77.70 M0L2 0 ATOM 8487 N LEO E 113 38.685 -31.662 -80.602 1.00 80.30 MOL2 N ATOM 84 8 B CA LEU E 113 38.437 -33.100 -80.425 1.00 74.22 M0L2 C ATOM 8489 CB LEO E 113 39.433 -33.709 -79.433 1.00 65.96 MOL2 C ATOM 8490 CG LEU E 113 40.872 -33.756 -79.932 1,00 65.93 M0L2 C ATOM 8491 CD1 LEU E 113 41.740 -34.570 -79.004 1,00 55.44 M0L2 C ATOM 8432 CD2 LEU E 113 40.868 -34.357 -81.321 1.00 66.02 M0L2 C ATOM 8493 C LEU E 113 37.043 -33.44B -79.954 1.00 72.97 M0L2 C ATOM 8494 0 LEU E 113 36.702 -33.198 -78.803 1.00 80.24 M0L2 0 ATOM 8495 N GLU E 114 36.238 -34.032 -80.836 1.00 72.95 M0L2 N ATOM 8496 CA GLU E 114 34.8B0 -34.440 -80.471 1.00 70.69 M0L2 C ATOM 8497 CB GLU E 114 33.897 -34.241 -81.613 1.00 72.79 M0L2 C ATOM 849S CG GLU E 114 32.513 -34.74B -81.275 1.00 83.81 M0L2 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 30.3D3 -34.771 -82.148 1.00100.33 MOL2 0 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 0 ATOM 8504 M LYS E 115 33,911 -36.2B2 -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 5B.S2 M0L2 C ATOM 8507 CG LYS E 115 34.286 -38.916 -76.620 1,00 61.92 M0L2 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 35.250 -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 0 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 M0L2 N ATOM 8514 CA VAL E 116 31.392 -39.972 -80.556 1.00 53.33 M0L2 C ATOM 8515 CB VAL E 116 31.273 -39.843 -82.094 1.00 51.59 MOL2 C ATOM 8516 CGI 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 M0L2 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 -45.4B2 -77.503 1.00 61.71 M0L2 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 M0L2 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 B530 CB VAL E 118 30.409 -45.609 -83.389 1.00 34.40 MOL2 C ATOM 8531 CGI 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 28.51 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 -82.058 1.00 47.34 MOL2 C ATOM 3538 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 MOL.2 C ATOM 8545 CGI 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 -32.566 1.00 52.75 MOL2 C ATOM 8547 C VALE 120 29.490 -52.453 -34.701 1.00 46.16 MOL2 C ATOM 8548 O VAL E 120 29 .B19 -52.906 -85.796 1.00 49.10 MOL2 O ATOM 8549- M Gt.Y & 121 28.518 -52.979 -89.978 1.09 44.37 M&L2 » ATOM 8550 CA GLY E 121 27.789 -54.135 -84.457 1.00 46.49 M0L2 C ATOM 8551 C GLY E 121 26.955 -54.812 -83.382 1.00 48.38 M0L2 C ATOM 8552 O GLY E 121 26.834 -54.312 -82.263 1.00 53.22 M0L2 0 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 -56.660 -62.765 l.OD 42.06 MOL2 C ATOM 8555 C CYS E 122 26.093 -5B.047 -82.405 1.00 43.02 M0L2 C ATOM 8556 O CYS E 122 25.796 -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 -83,766 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 25.184 -59.811 -80.753 1.00 44.87 MOL2 C ATOM 8551 CB THR E 123 27.307 -59.719 -79.694 l.OD 41.29 MOL2 C ATOM 8562 OG1 THR E 123 27.780 -61.036 -79.403 1.00 47.66 MOL2 0 ATOM 8563 CG2 THR B 123 25.798 -59.090 "78.402 1.00 33.38 MOL2 C ATOM 8564 C THR E 123 24.958 -60.435 -80.130 1.00 47.20 MOL2 C ATOM 8565 O THR E 123 24.136 -59.735 -79.543 1.00 38.36 M0L2 0 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 61.7B M0L2 C ATOM 8559 O CYS E 124 24.773 -63.671 -77.959 1.00 60.46 MOL2 0 ATOM 8570 CB CYS E 124 23.379 -63.689 -80.548 1.00 70.8B 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 MOB2 H ATOM 8573 CA VAL S 125 23.237 -62.611 -75,934 1.00 62.51 MOL2 C AÍÒM B574 CB VAL E 125 23.522 -61.368 -75.104 1.00 61.79 M0L2 C ATOM 8575 CGI VAL E 125 24.B24 -60.773 -75.542 1.00 69.24 MOL2 C ATOM 8576 CG2 VAL Ξ 125 22.394 -60.367 -75.253 1.00 62.28 MOL2 C ATOM 6577 C VAL E 125 22.011 -63.278 -75.342 1.00 62.04 MOL2 C ATOM B578 O VAL E 125 20.911 -63.1B9 -75.887 1.00 6 0.12 M0L2 0 ATOM 8579 N THR E 126 22.224 -63.952 -74,219 1.00 60.85 MOL2 H ATOM 85 8 0 CA THR E 126 21.167 -64.641 -73.509 1.00 63.22 M0L2 C ATOM 8581 CB THR S 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 l.OD 70.91 MOL2 0 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 -63.320 -72.270 1.00 61.55 M0L2 C ATOM 8585 0 THR E 126 21.759 -63.546 -71.472 1.00 60.05 M0L2 0 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 M0L2 C ATOM 8588 CA PRO E 127 19.227 -62.604 -70.936 1.00 65.60 M0L2 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 M0L2 C ATOM 8592 O PRO E 127 19.838 -64.505 -69.650 1.00 69.92 MOL2 0 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 -56.399 l.OD 74.28 MOL2 C ATOM 8596 CGI VAL E 128 21.333 -62.389 -65.117 l.OD 69.48 MOL2 C ATOM B597 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 M0L2 C ATOM 8599 O VAL E 128 18.207 -62.983 -66.067 1.00 93.36 MOL2 O ATOM 8600 N XLE E 129 18.844 -64.970 -66.877 1.00100.93 MOL2 N ATOM 8601 CA ILE E 129 17.677 -65.654 -66.319 1.00111.73 MOL2 C ATOM 8602 CB ILE E 129 17.392 -66.995 -67.036 1.00116.39 MOL2 C ATOM 3603 CG2 ILE Ξ 129 16.052 -67.555 -66.569 1.00115.30 MOL2 C ATOM 8604 CGI ILE E 129 17.365 -66.795 -68.554 1.00119.20 MOL2 C ATOM 8605 CD1 ILE E 129 17.191 -68.094 -69.346 1.00119.72 MOL2 C ATOM 3606 C ILE E 129 17.936 -65.952 -64.851 1.00118.58 MOL2 C ATOM 8607 O ILE E 129 17.010 -66.180 -64.066 1.00119.20 MOL2 O ATOM 8608 N HIS E 130 19.218 -65.943 -64.505 1.00127,54 MOL2 N ATOM 8609 CA HTS E 130 19.681 -66.209 -63.152 1.00134.90 MOL2 C ATOM 8610 CB HIS E 130 21.217 -66.270 -63.153 1.00140.06 MOL2 C ATOM 8611 CG HIS E 130 21,805 -66.572 -64.503 1.00142.96 M0L2 C ATOM 8612 CD2 HIS E 130 22.751 -65.927 -65.228 1.00143.29 MOL2 C ATOM- 8613 NEtt 8IS 8 11Ϊ 21.389 -67.634* -65.280* 1.00*142.37 MOL2 M*

ATOM 8614 CE1 HIS E 130 22.046 -67.627 -66.425 1.00141.96 MOL2 C ATOM 8615 NE2 HIS E 130 22.881 -66.601 -66.419 1.00143.30 MOt>2 N ATOM 8616 0 HIS E 130 19.170 -65.099 -62.234 1.00135.23 MOL2 C ATOM 8617 O HIS E 130 19.423 -63.919 -62.469 1.00131.96 MOI>2 0 ATOM 3618 N HIS E 131 18.443 -65.490 -61.192 1.00139.05 MOL2 N ATOM 8619 CA HIS E 131 17.866 -64.539 -60.244 1.00143,24 MOL2 C ATOM 3620 CB HIS E 131 17.216 -65.302 -59.078 1.00145.79 MOL2 C ATOM 3621 CS HIS E 131 15.724 -65.174 -59.030 1.00149.44 MOL2 C ATOM 8622 CD2 HIS E 131 14.901 -64.673 -58.076 1.00151.04 MOL2 C ATOM 8623 ND1 HIS E 131 14.906 -65.581 -60.063 1.00149.84 M0L2 N ATOM 8624 CE1 HIS E 131 13.646 -65.336 -59.749 1.00150.96 M0L2 C ATOM B625 NE2 HIS E 131 13.615 -64.785 -58.548 1.00152.08 M0L2 N ATOM 8626 C HIS E 131 18.797 -63.445 -59.688 1.00141.97 MOL2 C ATOM 8627 0 HIS E 131 19.808 -63.071 -60.302 1.00136.76 MOL2 0 ATOM 8628 N VAL E 132 18.426 -62.935 -58.516 1.00141.68 M0L2 N ATOM 8629 CA VALE 132 19.171 -61.878 -57.839 1,00142.44 MOL2 C ATOM 8630 CB VAL E 132 18.212 -60.982 -57.024 1.00140.65 MOL2 C ATOM 36 31 CGI VAL E 132 18.942 -59.736 -56.533 1.00136.17 MOL2 C ATOM 8632 CG2 VAL E 132 16.999 -60.624 -57.869 1.00138.71 M0L2 C ATOM 8633 C VAL E 132 20.238 -62.424 -56.886 1.00143.76 MOL2 C ATOM 8634 O VAL E 132 19.918 -63.12B -55.924 1.00141.93 MOL2 0 ATOM 8635 N GLN E 133 21.502 -62.093 -57.152 1.00145.86 MOL2 N ATOM 8636 CA GLNE 133 22.609 -62.542 -56.303 1,00148.52 MOL2 C ATOM 3637 CB GLN E 133 23.952 -62.350 -57.032 1.00144.77 MOL2 C ATOM 8638 CG GLN E 133 25.105 -63.232 -56.523 1.00141.17 MOL2 C ATOM 8639 CD GLN E 133 25.532 -62.927 -55.0B6 1.00139.96 MOL2 C ATOM 8640 OE1 GLN E 133 25.939 -61.802 -54.766 1.00136.60 MOL2 0 ATOM 3641 NE2 GLN E 133 25.447 -63.934 -54.217 1.00133.66 MOL.2 N ATOM 8642 C GLN E 133 22.597 -61.738 -54.987 1,00151.27 MOL2 C ATOM 8643 O GLN E 133 23.612 -61.068 -54.674 1.00152.40 M0L2 0 ATOM 8644 OXT GLN E 133 21.560 -61.783 -54.281 1.00153.34 MOL2 0 ATOM 8645 CB ALA G 1 6.918 -80.524 -18.660 1.00 91.84 MOL3 C ATOM 3646 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 0 ATOM 8648 N ALA G 1 5.398 -78.657 -IB.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 MOL.3 C ATOM B652 CB ILE G 2 10.438 -77.677 -16.498 1.00 76,63 MOB3 C ATOM 8653 CG2 ILE G 2 11.472 -77.343 -15.430 1.00 72.92 MOL3 C ATOM 8654 CGI 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 0 ILE G 2 B . 06 8 -76.549 -15.135 1.00 75.41 MOL3 O ATOM 8658 N GLN G 3 B.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 1.00107.19 MOL3 C ATOM 8662 CD GLN G 3 4.794 -78.847 -11.350 1.00114.04 MOL3 C ATOM 8663 OE1 GLN G 3 4.835 -80.079 -11.331 2.00119.23 MOL3 O ATOM 8664 NE2 GLN G 3 3.907 -78.147 -10.647 1.00117.58 MOL3 N ATOM 8665 C GLN G 3 9.21B -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 MDL3 N ATOM 8668 CA LEU G 4 10.122 -74.565 -10.698 1.00 77.58 M0L3 C ATOM 8669 CB LEU G 4 10.384 -73.206 -11.354 1.00 85.28 M0L3 C ATOM 8670 CG LEU G 4 11.170 -73.309 -12.667 1.00 86.95 MOL3 C ATOM 8571 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 0 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 & 5 10.227 - 75.975 -6.217 1.00 74.20 MOL3 C atom 8678 OG1 THR G 5 9.836 -76.945 -7.302 1.00 70.27 MOL3 0 ATOM 8679 CG2 THE σ 5 9.334 -76.094 -5,091 1,00 75.75 MOL3 C ATOM Β6ΘΟ C THR G 5 10.975 -73.6II -6.115 l.OO S3.96 MOL3 c atom 8681 O THE G 5 11.994 -73.984 -5.547 1.00 61.45 MOL3 O ATOM 86B2 N GLN G 6 10.554 -72.362 -6.056 1.00 63.21 MOL3 N ATOM Θ6Β3 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 70.60 MOL3 C ATOM 86B6 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 -6.21B 1.00 65.SB M0L3 0 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 ATOiM 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 0 ATOM 8695 C SER G 7 13.146 -70.412 -0.953 1.00 65.88 MOL3 C ATOM 8696 O SEE 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 68.93 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 aA| 8702 C PRO G 8 10.374 -69.260 -0.117 1.00 71.03 MOL3 C ATOM 87 03 0 PRO G 8 10.672 -6 8.720 -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.D0 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 0 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 0 ATOM 8710 N SER G 10 8.137 -67.246 1.342 1.00 54.62 MOL3 N ATOM 8711 CA SERG 10 B.053 -65.941 1.957 1.00 57.69 MOL3 C ATOM 8712 CB SERG 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 57Í8B MOL3 C ATOM 8715 O SERG 10 10.072 -66.754 2.905 1.00 55,54 MOL3 0 ATOM 8716 N LEU G 11 9.512 -64.625 3.365 1.00 56.79 M0L3 N ATOM 8717 CA LEU G 11 10.727 -64.386 4.125 1.00 58.29 MOL3 C ATOM 8718 C3 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 B721 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.S86 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 SERG 12 10.332 -61.206 7.641 1.00 73.51 MOL3 C ATOM 8727 OG SER G 12 9.834 -59.8.80 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 SERG 12 13.360 -61.877 7.096 1.00 73.77 MOL3 O ATOM B730 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 65.94 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 SERG 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 0 ATOM 8741 N V»L· S' 15 16.6491 -54-.0-25 6.106 1.00 51.18 MOL3 IÍ ATOM 8742 CA VAL G 15 17.553 -53.280 5.248 1.00 61.26 M0L3 C ATOM 8743 CB VAL G 15 17,406 -51.785 Ξ .572 1.00 82.15 MOL3 C ATOM 8744 CGI VAL· G 15 16.808 -51,037 4.467 1.00 82.23 MOL3 C ATOM 8745 CG2 VAL· G 15 16.734 -51.584 6.889 1.00 68.77 M0L3 C ATOM 8746 C VAL· G 15 18.982 -53.735. 5.494 1.00 65.74 MOL3 C ATOM 8747 0 VAL· G 15 19.430 -53.803 6.643 1.00 68.93 MOL3 0 ATOM 8748 N GLY G 16 19.700 -54.048 4.423 1.00 86.4B 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 0 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 0 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 -58.068 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 -61.135 2.540 1.00 63.66 MOL3 C ATOM 8763 CG ARG G IB 23.639 -62.143 1.444 1.00 62.43 MOL3 C ATOM 8764 CD ARG G IB 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 MH1 ARG G 18 24.402 -64,152 -0.674 1.00100.10 MOL3 N ATOM 8768 NH2 ARG G IE 2S.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 0 ARG G 18 21.063 -62.815 2.420 1.00 68.60 MOL3 0 ATOM 8771 Hf 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 CGI VAL G 19 16.274 -62.444 0.537 1.00 62.19 MOL3 C ATOM B775 CG2 VAL G 19 17.D40 -60.364 1.775 1.00 52.69 MOL3 C ATOM 8776 C VAL G 19 19,069 -63.145 0.0S7 1.00 55.13 MOL3 C ATOM B777 0 VAL G 19 19.856 -62.795 -0.815 1.00 56.93 MOL3 O ATOM 8778 H THR G 20 18.532 -64.355 0.0B6 1.00 51-84 M0L3 N ATOM 8779 CA THR G 20 18,872 -65.341 -0.924 1.00 54.45 M0L3 C ATOM 87B0 CB THR G 20 20.012 -65.222 -0.441 1.00 55.50 MOL3 C ATOM 8781 OG1 THR G 20 21.151 -65.402 -0.164 1.00 55.70 M0L3 0 ATOM 8782 CG2 THR G 20 20.348 -67.288 -1.488 1.00 51.26 MOL3 C ATOM 87B3 C THR G 20 17.6B9 -66.237 -1.258 1.00 57.97 MOL3 C ATOM 8784 0 THR G 20 17.167 -66.967 “0.398 1.00 6S.17 MOL3 0 ATOM 8785 N ILE G 21 17,248 -66.133 -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 M0L3 C ATOM 8788 CG2 ILE G 21 13.760 -66.820 -3.803 1.00 49.67 MOL3 C ATOM 8789 CGI 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 -2.10S 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 0 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 1.0 0 51.44 MOL3 N ATOM 8794 CA THR G 22 16.423 -70.396 -4.56S 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 M0L3 H 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 M0L3 C ATOM 8803 0 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 23·.39?· -71.266 -9.964- 1.00 89.83 MOL3 &

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 IS.189 -76.490 -5.693 1.00101.39 MOL3 C ATOM 8810 CD ARG G 24 15.499 -77.754 -4.906 1.00113.69 MOL3 C ATOM 8811 NE ARG G 24 17.186 -78.751 -5.731 1.00124.74 MOL3 N ATOM B812 CZ ARG G 24 16.599 -79.545 -6.627 1.00128.78 MOL3 C ATOM 6813 NH1 ARG G 24 15.288 -79.483 -6.833 1.00129.96 MOL3 N ATOM 8814 NH2 ARG G 24 17.331 -80.405 -7.329 1.00129.99 MOL3 N ATOM 8815 C ARG G 24 14.122 -76.122 -B.969 1.00 79.77 MOL3 C ATOM 8816 O ARG G 24 12.957 -75.732 -B.873 1.00 75.21 MOL3 O ATOM B817 H 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 0 ALA G .25 14.625 -79.356 -11.562 1.00 83.57 MOL3 O ATOM 8822 N ASP G 26 12.367 -79.214 -11.678 1.00 89.59 MOL3 H ATOM B823 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 1.00101.41 MOL3 C ATOM 8825 CG ASP G 26 10.495 -82.060 -13.411 1.00111.44 MOL3 C ATOM 8826 OD1 ASP G 26 9.615 -82.184 -14.292 1.00113.51 MOL3 O ATOM 8327 OD2 ASP G 26 11.147 -83.034 -12.975 1.00119.43 MOL3 O ATOM 8828 C ASP G 26 13.216 -81.194 -12.947 1. DO 93.33 MOL3 C ATQM 8829 0 ASP G 26 13.965 -82.052 -12.4 86 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 GLUG 27 14.305 -81.246 -15.131 1.00100.09 MOL3 C ATOM 8832 CB GLU G 27 13.644 -81.419 -16.503 1.00101.62 MOL3 C ATOM B833 CG GLU G 27 14,321 -82.407 -17.439 1.00110.10 MOL3 C ATOM 8834 CD GLUG 27 13.460 -82.729 -18.653 1.00113.57 MOL3 C ATOM 8835 0E1 GLU G 27 13.874 -83.559 -19.493 1.00117.99 MOL3 O ATOM 8836 OE2 GLUG 27 12.362 -82.149 -18.768 1.00112.12 MOL3 O ATOM 8837 C GLUG 27 15.491 -80.272 -15.204 1.00102.33 MOL3 C ATOM 8838 O GLUG 27 15.726 -79.506 -14.261 1.00102.53 MOL3 O ATOM 8839 N SERG 28 16.241 -80.307 -16.309 1.00102.36 MOL3 N ATOM 8840 CA SERG 28 17.393 -79.415 -16.4B6 1.00 98.93 MOL3 C ATOM 8841 CB SERG 28 18.624 -80.183 -15.975 1.00102.05 MOL3 C ATOM 8842 QG SER G 28 19.726 -79.304 -17.163 1.00 94.87 MOL3 0 ATOM 8843 C SER G 28 17.085 -78.312 -17.482 1.00 94.49 MOL3 C ATOM 0844 O SER G 28 16.481 -78.562 -18.534 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 CGI VAL G 29 14.92B -75.363 -17,436 1.00 81.55 MOL3 C ATOM 8849 CG2 VAL G 29 15.790 -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 M0L3 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 ΟΘ1 THR G 30 20.730 -75.655 -20.701 1.00 75.07 MOL3 0 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 0 THR G 30 20.438 -73.240 -19-933 1.00 77.39 MOL3 0 ATOM 8859 N THE 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 22.533 -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 0 THR G 31 20.115 -69.275 -18.671 1.00 52.70 MOL3 0 ATOM B866 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 -13.617 1.00 41.23 MOL3 C ATOM 8868 CB LEU C- 32 17.260 -71.357 -20.743 1.00 35.40 MOL3 C ATOM- 8869 »9 LEU <9 32 17.627 -78.692 -22.877 1.0(1 37.92 MOL3 C

ATOM 8870 CD1 LEU G 32 19.134 -70.555 -22.091 1.00 36.21 M0L3 C ATOM 8871 CD2 LEU G 32 17.120 -71.459 -23.306 1.00 25.34 M0L3 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 M0L3 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 GG 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 15.100 -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 GA HIS 3 34 15.601 -65,096 -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 Θ 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 Θ 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 15.060 -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 -9.9 77 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 MQL3 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 -12.3 88 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 M0L3 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 B911 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 -61.418 -10.187 1.00 42.96 MOL3 O ATOM 8918 N GLN G 37 10.939 -59.382 -11.044 1.00 39.72 KOL3 M 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 B925 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 NOL3 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 3.6S2 -59.179 -10.278 1..00 38.95 MOL3 C ATOM 8932 ΟΞ1 GLN G 38 2.708 -58.839 -10.942 1.00 37.89 MOL3 o ATOM 89-33 NE2- GLN & 30 3.954 -60.437 -10. Oil 1.OO40.71 MOL3 N

ATOM 8934 C GLM G 30 6.568 -56.995 -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 0 ATOM 8936 N LYS G 39 6.316 -55.687 -7.820 1.00 42,89 MOL3 N ATOM 0937 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 -53.29B -6.780 1.00 4B.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 0 ATOM 8945 N PRO G 40 3.677 -54.848 -5.524 1.00 50.24 MOL3 H 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 M0L3 C ATOM 8948 CB PRO G 40 1.885 -54.630 -4.022 1.00 46.58 MOL3 C ATOM 8949 CG PROG .40 3.138 -54.939 -3.284 1.00 56.3B MOL3 C ATOM 8950 C PROG 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 ATgM 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 . BC5 -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.D07 -9.321 1.00 96.21 MOL3 C ATOM 8962 NS 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 S.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 M0L3 C ATOM B975 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 0 ATOM 8966 N LEU G 46 11.751 -57.487 -15.521 1.00 31.84 MOL3 H 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 6 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 0 LEU G 46 14.435 -56.729 -14.776 1.00 33.27 MOL3 0 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 -53.612 -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- 09 LEO G 47 15.187 -58.32-8 -18.735 1.08 41.78 M0L3 C ATOM 8998 GDI LEU S 47 16.168 -58.404 -9.585 1.00 39-87 MOL3 C ATOM 8999 CD2 LEO G 47 15.155 -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 0 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 OB 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 CGI 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 17.85B -62.137 -15.681 1.00 34.00 MOL3 C ATOM 9009 O ILE G 48 16.918 -62.895 -15.535 1.00 3B.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 -63.0S4 -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 1.0D 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 S 49 20.657 -63.789 -17.382 1.00 47.87 MOL3 O ATOM 9022 N LEU 3 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 GDI 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 -6B.170 -15.363 1.00 49.60 MOL3 C ATOM 9033 CGI VAL G 51 22.955 -68.321 -14.026 1,00 44.74 MOL3 C ATOM 9034 C32 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.B65 -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 SEE G 52 23.538 -62.877 -14.717 1.00 50.82 MOL3 C ATOM 9042 O SERG 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 9046 ND2 ASN G 53 25.535 -61,804 -18.582 1.00 50.66 MOL3 N ATOM 9049 C ASN G S3 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 22.334 -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 -55.383 -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 Cr ARG 67 54 21.649 -56.906 -17.246 1.00 53.93 M3L2 0“

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 5B.42 MOL3 C ATOM 9065 CG GLU G 55 16.674 -56.36E -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 ΟΞ1 GLU G 55 15.834 -55.391 -20.141 1.00 64.08 MOL3 O ATOM 906B OE2 GLU G 55 18.001 -55.240 -19.792 1.00 73.31 MOL3 0 ATOM 9069 C GLU G 55 19.731 -54.588 -17.012 1.00 58.68 MOL3 C ATOM 9070 0 GLU G 55 20.348 -54.371 -15.968 1.00 60.53 MOL3 O ATOM 9071 W SER G 56 19.617 -53.686 -17.976 1.00 59.87 MOL3 N ATOM 9072 CA SEE 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 M0L3 C ATOM 9076 O SEE G 56 21.020 -51.523 -15.749 1.00 68.59 MOL3 O ATOM 9077 M 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 9030 O GLY G 57 19.326 -50,819 -12.667 1.00 55.85 MOL3 O ATOM 9031 W 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 9034 CGI 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 O 58 20.201 -53.172 -11.711 1.00 52.13 M0L3 C ATOM 9087 0 VAL O 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 FRO G 59 18.752 -52.511 -9.826 1.00 51.53 MOL3 C ATOM 9090 CA PEO G 59 21.125 -52.453 -9.500 1.00 47,77 MOL3 C ATOM 9091 CB PRO G 55 20.388 -52.257 -B.192 1.00 41.55 MOL3 C ATOM 9092 CG PRO G 59 19.141 -51.633 -B.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 -B.125 1.00 81.46 MOL3 C ATOM 9098 OG SEE 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 SEE G SO 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 SI 21.300 -54.400 -4.754 1.00 60.78 MOL3 C ATOM 9105 CD AEG G 61 20.636 -53.836 -3.486 1.00 53,34 MOL3 C ATOM 9106 HE AEG G 61 19.376 -53.161 -3.783 1.00 45.70 M0L3 N ATOM 9107 C2 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 MM2 AEG 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 AEG G SI 22.955 -58.206 -5.586 1.00 60.15 MOL3 O ATOM 9112 Η 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 S2 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 ca PHE G 62 16.756 -55.960 -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 S3 22.122 -60.448 -7.979 1.00 52.56 M0L3 N ATOM 9124 CA SERG 63 23.018 -61.363 -8.693 1.00 54.21 MOL3 C ATOM- 9125 CB SER G 53- 24.272--62.4-12 -7.999 1.09 55.60 MOL3 C ATOM 9126 OG SER G 63 24.221 -61.114 -S.612 1.00 52.29 MOL3 0 ATOM 9127 C SER G 63 22.465 -62.775 -B.S27 1.00 53.10 MOL3 C ATOM 9128 O SER G 63 22.010 -63.364 -7.862 1.00 55.14 MOL3 0 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 -65.676 -10.150 1.00 65.50 MOL3 C ATOM 9132 O GLY G 64 24.254 -65.299 -9.B72 1.00 66.87 MOL3 O ATOM 9133 M SER G 65 22.811 -66.987 -10.364 1.00 68.23 MOL3 H 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 -67.802 -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 0 ATOM 9137 C SER G 65 23.197 -63.406 -10.335 1.00 67.16 MOL3 C ATOM 9138 O SERG 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 0 GLY 6 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 SERG 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 SERG 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 -14.1B7 1.00 88.47 MOL.3 C ATOM 9152 O GLY G 68 13.751 -77.608 -14.849 1.00 84.62 MOL3 O ATOM 9153 M THR G 69 19.674 -77.087 -12.857 1,00 90.20 MOL.3 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 031 THR G 69 18.174 -79.633 -10.638 1.00108.30 MOL3 O ATOM 9157 C32 THR G 69 20.491 -79.108 -11.042 1.00103.92 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 -76.3D0 -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 -77.356 -8.196 1,00105.12 MOL3 C ATOM 9164 OD1 ASP G 70 21.579 -77.390 -9.121 1.00108.66 MOL3 O ATOM 9165 OD2 ASP G 70 20.451 -78.374 -7.519 1.00111.25 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 CEl 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 60.02 MOL3 C ATOM 9178 O PHE G 71 18.389 -71.237 -7.146 1.00 68.29 MOL3 O ATOM 9179 H THR G 72 19.889 -69.738 -7.858 1.00 54.02 MOL3 N ATOM 9180 CA THR G 72 19.628 -68.B93 -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 LEG G 73 18.877 -66.614 -6.602 1.00 51-57 MOL3 N ATOM 9187 CA LEG G 73 18.949 -65.197 -6.B44 1.00 50.13 MOL3 C ATOM 9188 CB LEO G 73 17.587 -64.671 -7.285 1.00 49.88 MOL3 C ATOM 9189- CG- LEU® 73 17.396 -63-. 1SJ- -7.104 1.00- 57.46 MOL3 C'

atom 919 0 CD1 LEU G 73 IB.479 -62.395 -7.836 1.00 59.43 M0L3 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 IB.968 -65.185 -4.466 1.00 56.98 M0L3 O ATOM 9194 N THR G 74 20.161 -63.595 -5.482 1.00 50.75 M0L3 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 M0L3 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 M0L3 C ATOM 9204 CG2 ILS G 75 19.144 -57.369 -2.596 1.00 66.90 MOL3 C ATOM 9205 CGI ILE G 75 17.976 -59,392 -3 .438 1.00 68.75 M0L3 C ATOM 9206 CD1 ILE G 75 16.610 -5 8.811 -3 .133 1.0 0 6 8.20 MOL3 C ATOM 9207 C ILS 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 5ER 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 M0L3 C ATOM 9212 OG SER G 76 25.279 -50,731 -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 ΑΊ*3μ 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 SSRG 77 23.299 -54.518 0.600 1.00 57.18 MOL3 C ATOM 9218 OG SER G 77 22.8Ξ2 -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 S3R 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 7B IB.545 -55.420 0.843 1.00 57.10 MOL3 C ATOM 9223 CB LEU G 78 17.S38 -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 M0L3 C ATOM 9226 CD2 LEU G 78 15.294 -56.975 2.317 1.00 62.35 M0L3 C ATOM 9227 C LEU G 7B 18.344 -53.939 1.011 1.00 54.97 MOL3 C ATOM 9228 O LEU G 78 IB.943 -53.308 1.876 1.00 55.56 M0L3 O ATOM 9229 M GLN G 79 17.486 -53.394 0.163 1.00 56.22 M0L3 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.C86 1.00 62.26 M0L3 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 M0L3 O ATOM 9235 NE2 GLN G 79 20.597 -51.055 0.818 1.00 72.21 MQL3 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.B97 -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 SO 13.852 -48.796 1.192 1.D0 64.30 MOL3 C ATOM 9242 CG PRO G 60 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.D0 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 1.00105.74 MOL3 C ATOM 9250 OE1 GLU G 81 14.685 -47.901 -2.091 1.00107.20 MOL3 O ATOM 9251 0E2 GLU G 81 16.538 -49.012 -2 .480 1.00106.IB MOL3 O ATOM 9252 C GLU G 81 12.868 -52.094 -3.108 1.00 64.50 MOL3 C ATOM" 9253- Cr GLU" G 81 1:3.266 -52.429 -4.174 2.00 65.22 TOÍ O

ATOM 9254 W ASP G 82 13.557 -52.936 -2.358 1.00 SB.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 0D2 ASP G 82 17,232 -53.804 -2.435 1.00 72.12 MOL3 0 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 M0L3 O ATOM 9262 Η 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 B3 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 -53.65B 2.235 1.00 56.89 MOL3 C ATOM 9267 CD2 PHE G B3 11.533 -55.039 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 S3 12.B28 -54.943 3.773 1.00 63.94 MOL3 C ATOM 9271 C PHE G 83 9.648 -55.530 -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.S88 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 I40L3 O ATOM 9282 CG2 THR G 85 6.478 -62.621 -5.370 1.00 42.50 MOL3 C ATOM 9283 C THR G 05 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 85 12.354 -51.261 -5.918 1.00 34.59 MOL3 C ATOM 9289 CD1 TYR G 86 12.050 -60.816 -4.637 1.00 35.54 M0L3 C ATOM 9290 CE1 TYR G 86 12.448 -59.562 -4.205 1.00 30,13 MOL3 C ATOM 9291 CD2 TYR G B6 13.057 -50.411 -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 6.36B -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 B7 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 12.13 0 -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 S312 0 CYS G 88 10.178 -68.150 -12.654 1.00 46.96 MOL3 O ATOM 9313 CB CYS G 88 12.954 -58.416 -10.864 1.00 57.83 MOL3 C ATOM 9314 SG CYS 6 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 93-17 CB- GLÍÍ G 89 19.683 -67.433 -15.895 1.00 4Cr. 77 M0L3 C

atom 9318 CG GLN G 89 10.243 -67.872 -17.308 1.00 44.03 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 M0L3 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 M0L3 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 0 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 0 GLN G 90 10.868 -70.755 -19.021 1.00 50.35 MOL3 0 ATOM 9333 N THE G 91 12,900 -71.198 -19.891 1.00 55.41 MOL3 N ATOM 9334 CA THE 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 0 ATOM 9337 CG2 THR G 91 11.847 -6B.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 0 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 1.00107.39 MOL3 C ATOM 9344 CD2 TRP G 92 16.173 -76.874 -22.951 1.00113.90 MOL3 C ATOM 9345 CE2 TRP G 92 17.515 -76.985 -23.378 1.00115.36 MOL3 C ATOM 9346 CE3 TRP G 92 15.203 -77.673 -23.561 1.00120.18 MOL3 C ATOM 9347 CPI TRP G 92 17.424 -75.455 -21.762 1.00112.31 MOL3 C ATOM 934 B NE1 TRP G 92 18.259 -76.108 -22.634 1.00112.14 MOL3 N ATOM 9349 CZ2 TRP G 92 17.909 -77.862 -24.386 1,00121.41 MOL3 C ATOM 9350 CZ3 TRP G 92 15.595 -78.546 -24.566 1.00125.94 MOL3 C ATOM 9351 CH2 TRP G 92 16.937 -78.632 -24.968 1.00126.33 MOL3 C ATOM 9352 C TRP G 92 12.9B5 -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 MDL3 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 1.00105.12 MOL3 C ATOM 9357 OG SER G 93 9.909 -78.668 -22.123 1.00113.34 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 1.00105.41 MOL3 C ATOM 9363 CS ASP G 94 7.862 -75.274 -27.155 1.00113.87 MOL3 C ATOM 9364 OD1 ASP G 94 7.655 -74.072 -27.437 1.00113.60 MOL3 O ATOM 9365 OD2 ASP G 94 8.445 -76.063 -27.932 1.00120.61 MOL3 O ATOM 9366 C ASP G 94 7.035 -74.443 -23.713 1.00100.01 MOL3 C ATOM 9367 O ASP G 94 6.713 -73.254 -23.829 1.00105.52 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 0 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 65.65 MOL3 C ATOM 9377 CB TRP G 96 7.819 -70.377 -21.008 1.00 65.86 MOL3 C ATOM 9378 CG TRP G 96 8.524 -70.410 -22.314 1.00 6 7.77 MOL3 C ATOM 9379 CD2 TRP G 96 8.432 -69.441 -23.362 1.00 73.87 MOI.3 C ATOM 9380 CE2 TRP G 96 9.248 -69.889 -24,420 1.00 72.77 MOL3 C ATOM- 938Ϊ CEj TRP G 96 7.739 -68-.237 -23.510- Ι.Οΐτ 75.04 MOL3 C

ATOM 9382 CD1 TRP G 96 9.373 -71.373 -22.75S 1.00 70.29 M0L3 C ATOM 9383 WEI TRP G 96 9,813 -71.073 -24.028 1.00 71.18 M0L3 N ATOM 9384 CZ2 TRP G 96 9.385 -69.179 -25.608 1.00 73.12 M0L3 C ATOM 9385 CZ3 TRP G 96 7.878 -67.534 -24.694 1.00 76.94 M0L3 C ATOM 9386 CH2 TRP G 96 8.693 -68.006 -25.725 1.00 74.23 M0L3 C ATOM 9387 C TRP G 96 6.847 -71.650 -19.073 1.00 65.18 M0L3 C ATOM 9388 0 TRP G 96 S.660 -71.319 -19.019 1.00 66.34 M0L3 0 ATOM 9389 N THR G 97 7.561 -71.925 -17.988 1.00 61.09 M0L3 N ATOM 9390 CA THRG 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 M0L3 C ATOM 9392 OG1 THR G 97 8.353 -73.768 -16.020 1.00 63.22 M0L3 0 ATOM 9393 CG2 THR G 97 6.153 -74.254 -16.833 1.00 74.80 MOL3 C ATOM 9394 C THRG 97 7.Ξ8Ξ -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 M0L3 N ATOM 9397 CA PHE G 98 7.334 -69.622 -13.656 1.00 54.09 M0L3 C ATOM 9398 CB PHE G 98 6.497 -68.342 -13.605 1.00 56.03 M0L3 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 7.232 -65.456 -15.905 1.00 57,24 M0L3 C ATOM 9404 CZ PHE G 98 6.860 -65.952 -17.133 1.00 52.09 MDL3 C ATOM 9405 C PHE G 98 7.343 -70.273 -12.2B5 1.00 56.IB MOL3 C ATOM 9406 0 PHE G 98 6.818 -71.362 -12.095 1.00 60.20 MOL3 0 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 GLW G 100 6.573 -70.100 -B.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 Q 100 6.680 -71.019 -5.412 1.00 69.57 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 -72.47D -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 0 GLN G 100 4.683 -67.620 -6.381 1.0D 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 1.0D 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 THRG 102 B.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 10 2 10.475 -65.654 -3.026 1.00 4 7.16 MOL3 C ATOM 9427 OG1 THR G 102 10.760 -67.011 -3.396 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 THRG 102 8.708 -63.965 -2.715 1.00 49.06 MOli3 C ATOM 9430 0 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 -C.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 CGI VAL G 1D4 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- 94-45 O' VAL & 194 9.629 -59.361 1.479 1.09 51.75 MOL3 C ATOM 9446 O VAL G 104 9.178 -S3.399 C.85D 1.00 55.13 MOL3 0 ATOM 5447 N GLU G 105 9.550 -S9.485 2.802 1.00 56.30 MOL3 U ATOM 9449 CA GLU G 105 8.983 -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 6 105 4.631 -60.906 3.B36 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 0 GLU G 105 10.789 -58.659 5.087 1.00 60.52 MOL3 O ATOM 9456 ΚΓ ILE G 106 9.595 -56.756 E .185 1.00 63.70 MOL3 H ATOM 9457 CA ILE G 106 10.457 -56.123 6.180 1.00 66.29 MOL3 C ATOM 9458 CB ILE G 1D6 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 CGI 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 34.36 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 ΚΓ LYS G 107 11.397 -57.215 8.148 1.00 61.89 MOL3 N ATOM 9465 CA LYS G 107 11.348 -57.B03 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 A^Sm 9470 NZ LYS G 107 13.074 -62.B21 12.794 1.00 93.06 MOL3 N ATOM 9471 C LYS 3 107 11.290 -56.737 10.561 1.00 50.25 MOL3 C ATOM 9472 0 LYS G 107 11.867 -55.674 10.412 1.00 53.80 MOL3 0 ATOM 9473 W ARG G 10B 10.576 -57.008 11.639 1.00 50.03 MOL3 ΪΓ 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 β 10B 8,027 -55.399 12.345 1.00 61.93 MOL3 C ATOM 9477 CD ARG G 10S 7.352 -55.151 13.580 1.00 64.48 MOL3 C ATOM 9478 NE ARG G 10B 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 6.3B6 -54.027 16.072 1.00 69.80 MOL3 N ATOM 9481 NH2 ARG G 108 5.721 -52.119 14.900 1.00 70.24 MOL3 N ATOM 9482 C ARG G 103 10.175 -56,558 14.080 1.00 60.90 MOL3 C ATOM 9483 0 ARG G 108 9.930 -57.367 14.210 1.00 65.41 MOL3 O ATOM 9484 M THR G 109 10.211 -5Ξ.Β17 _ 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 18.5B0 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 -S6.816 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 M ASP G 110 8.393 -57.943 17.251 1.00 61.73 MOL.3 ΚΓ 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 17.307 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 MQL3 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 -5B.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 M0L3 C ATOM 9508 O ALA G 112 -0.569 -56.362 19.147 1.00 61,24 MQL3 O ATOM 9509 PRO- G 113- -1.573 -58.338- 18.761 1.00 51.66 MOLl Ht 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 18.10B 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 S2.02 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 M0L3 O ATOM 9516 N THR G 114 -4.496 -56.250 18.570 1.00 60.16 Μ01ι3 N ATOM 9517 CA THR G 114 -Ξ.474 -55.537 19.358 1.00 64.05 MOL3 C ATOM 9518 CB THR G 114 -5.29S -54.054 19.174 1.00 62.25 MOL3 C ATOM 9519 OH1 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 M0L3 O ATOM 9523 M VAL G 115 -7.474 -56.888 19.550 1.00 66.96 M0L3 N ATOM 9524 CA VAL G 115 -8.755 -57.412 19,098 1,00 65.05 M0L3 C ATOM 9525 CB VAL G 115 -8.996 -58.818 19.640 1.00 60.15 MOL3 C ATOM 95 26 CGI VAL G 115 -10.030 -59.531 18.791 1.00 S2.83 MOL3 C ATOM 9527 CH2 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 M0L3 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 M0L3 H 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 CGI 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 0 ILE G 117 -17.148 -56.227 19.174 1.00 69.98 MOL3 0 ATOM 9544 N PHE G 118 -17.549 -57.259 17.211 1.00 70.99 MOL3 N ATOM 9545 CA PHE G 11B -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 11B -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 0 PHE G 118 -20.001 -58.243 15.850 1.00 71.00 MDL3 O ATOM 9555 N PRO G 119 -21.083 -57.014 17.407 1.00 75.07 MOL3 H ATOM 9556 CD PRO G 119 -21.103 -55.985 18.455 1.00 76.76 MDL3 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 Θ0.9Β MOL3 C ATOM 9560 C PRO G 119 -23.D27 -57,282 16.036 1.00 70.57 MOL3 C ATOM 9561 0 PRO G 119 -22.787 -56.185 15.554 1.00 73.68 MOL3 0 ATOM 9562 N PRO G 120 -23.857 -58.150 15.457 1.00 69.35 M0L3 N ATOM 9553 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.IB MQL3 C ATOM 9555 CB PRO G 120 -25.495 -59.055 14.060 1.00 67.07 MOL3 C ATOM 9566 CG PRC G 120 -24.688 -60.165 14.633 1.00 76.37 MOL3 C ATOM 9557 C PRO G 120 -25.294 -56.559 14.209 1.00 73.59 MOL3 C ATOM 9568 0 PRO G 120 -25.978 -56.215 15.171 1.00 77.28 MOL3 0 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.B08 -54.532 13.000 1.00 86.41 MOL.3 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 5ER S' 121 -27.322" -54.730 13.117 I.DO 88-.90 M&L3 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 83-80 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 B7.53 MOL3 C ATOM 9578 OG SER G 122 -29.744 -51.671 14,324 1.00 81.66 MOL3 0 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 S-859 1.00 93.16 MOL3 C ATOM 9584 CG GLU G 123 -29.097 -50.381 10.358 1.00104.12 MOL3 C ATOM 9585 CD GLU G 123 -28.124 -49.442 9.649 1.00107.92 MOL3 C ATOM 9586 OE1 GLU G 123 -28.038 -49.505 8.399 1.00107.64 MOL3 O ATOM 9587 0E2 GLU G 123 -27.451 -48.641 10.339 1.00106.83 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 IT GLU G 124 -28.772 -54.919 10.074 1.00 87.71 MOL3 ΒΓ ATOM 9591 CA GLU G 124 -28.590 -56.166 9.359 1.00 85.87 MOL3 C ATOM 9592 CB GLU G 124 -27.158 -56.700 9.549 1.00 B3.04 MOL3 C ATOM 9593 CG GLU G 124 -26.679 -57.575 8.380 1.00 72.78 MOL3 C ATOM 9594 CD GLN G 124 -25.579 -5B .571 6.745 1.00 67.34 MOL3 C ATOM 9595 OE1 GLU 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 U 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 B8.19 MOL3 O ATOM 9599 U 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 MQL3 C ATOM 9604 CD2 LEU G 125 -26.758 -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 M0L3 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 9508 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 M0L3 C ATOM 9610 OG1 THR G 126 -33.243 -54.445 9,290 1.00106.32 M0L3 O ATOM 9611 CG2 THR G 126 -34.118 -54.792 11.511 1.00 96.26 M0L3 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 1.00100.22 MOL3 O ATOM 9614 N SER G 127 -33.166 -58.360 8.268 1.00100.96 MOL3 H ATOM 9615 CA SER G 127 -33.001 -58.884 6.925 1.00102.45 MOL3 C ATOM 9616 CB SER G 127 -31.882 -58.136 6.206 1.00101.05 MOL3 C ATOM 9617 OG SER G 127 -32.089 -S8.172 4.807 1.00101.36 MOL3 O ATOM 9618 C SER G 127 -32.701 -60.385 6.991 1.00105.77 MOL3 C ATOM 9619 O SER G 127 -32.175 -60.974 6.044 1.00106.86 MOL3 O ATOM 9620 N GLY G 128 -33.046 -60.994 8.126 1.00107.93 MOL3 K ATOM 9621 CA GLY G 128 -32.845 -62.422 8.321 1.00105.90 MOL3 C ATOM 9622 C GLY G 128 -31.399 -62.877 8.319 1.00104.35 MOL3 C ATOM 9623 O GLY G 126 -31.117 -64.069 8.144 1.00106.10 MOL3 O ATOM 9624 N GLY G 129 -30.482 -51.933 8.515 1.00 98.25 MOL3 N ATOM 9625 CA GLY G 129 -29.072 -62.272 B.531 1.00 92.35 MOL3 C ATOM 9626 C GLY G 129 -28.356 -51.561 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 -52.092 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 -51.877 12.471 1.00 81.34 MOL3 C ATOM 9631 C ALA G 130 -24.957 -51.949 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 -50.988 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 θ' 131 -21.864 -60\ 719 12.266 1,00 67.32 MOL2 (2

ATOM 9638 O SER G 131 -22.089 -59.584 12.682 1.00 68.97 MOL3 Ο ATOM 9639 Ν 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 CGI VAL G 132 -19.661 -61.360 16.337 1,00 74,41 MOL3 C ATOM 9643 CG2 VAL G 132 -21.425 -62.771 15.180 1.00 77.72 M0L3 C ATOM 9644 C VAL G 132 -18.803 -60.775 13.435 1.00 63 . S4 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 CGI 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.B36 -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.BB0 -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 966 8 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 0 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 50.93 MOL3 C ATOM 9672 CB LEU G 136 -6.729 -59.6B5 14.772 1.00 57.75 MOL3 C ATOM 9673 CG LEU G 136 -7.605 -60.8S7 15.231 1.00 54.84 MOL3 C ATOM 9674 CD1 LEU G 136 -9.895 -60.870 14.426 1.00 53.56 MOL3 C ATOM 9675 CD2 LEU G 136 -6,863 -62.172 15.035 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 0 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 ÇG 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 15.945 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 0 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 15.98B 1.00 64.26 M0L3 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-CT 13-9- -T. 070 -59.507 12-. 819 1.00 56.29 MOLT C ATOM 9702 CZ PHE G 139 -2.428 -So.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 M0L3 N ATOM 9706 CA TYR G 140 3.643 -S9.G36 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 CEl 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 14 0 8.026 -59.325 12.5 7S 1.0 0 69.2 6 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 971B 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 ¢0.51 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 At8m 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 -63.3S0 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 MQL3 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 M0L3 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 1.00111.13 MOL3 C ATOM 9737 OD1 ASP G 143 2.596 -67.846 9.505 1.00117.55 MOL3 O ATOM 973 8 OD2 ASP G 143 4.372 -66.919 10.429 1.00115.57 MOL3 O ATOM 9739 C ASP G 143 0.413 -65.639 12,664 1.00 72.28 M0L3 C ATOM 9740 O ASP G 143 0.928 -65.311 13.726 1.00 74.20 M0L3 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 M0L3 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 CGI ILE G 144 -2.594 -64,078 15.390 1.00 66.78 M0L3 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 -6.0BS -70 .332 13.405 1.00104.55 MOL3 O ATOM 9754 ND2 ASN G 145 -5,773 -71.068 15.514 1.00 99.03 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 975B 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 CGI VAL G 146 -9.664 -66.641 13.031 1.00 79.4B M0L3 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 0 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 & MT -10-.869 -69.30T 16.862- 1.00 81.06 MOL3 e

ATOM 9766 CB LYS G 147 -10.309 -70.171 10.001 1.00 98.49 M0L3 C ATOM 9767 CG LYS G 147 -11.250 -71.290 10.466 1.00 95.72 M0L3 C ATOM 9768 CD LYS G 147 -10.867 -71.867 19.848 1.00103.44 MOL3 C ATOM 9769 CE LYS G 147 -9.612 -72.749 19.802 1.00109.76 MOL3 C ATOM 9770 NZ LYS G 147 -S.194 -73.266 21.148 1.00107.54 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 15.739 1.00 79.00 M0L3 N ATOM 9774 CA TRP G 148 -14.620 -68.642 17.104 1.00 79.95 MOL3 C ATOM 9775 CB TRP Q 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 -16.639 -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 143 -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.B98 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 143 -15.322 -69.612 IB.045 1.00 82.25 M0L3 C ATOM 9786 0 TRP G 148 -15.204 -70.833 17.895 1.00 84.18 M0L3 O ATOM 9787 N LYS G 149 -16.065 -69.069 19.007 1.00 83,17 M0L3 N ATOM 9788 CA LYS G 149 -16.788 -69.896 19.9 80 1.00 82.26 M0L3 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 M0L3 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 0 LYS G 149 -18.392 -68.315 20.830 1.00 80.33 MOL3 0 ATOM 9796 N ILE G 150 -19.196 -70.220 19.921 1.00 86.68 PIOL3 N ATOM 9797 CA TLE G 150 -20.598 -69,904 20.189 1.00 87.86 MOL3 C ATOM 9793 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 CGI 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 61.81 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 ISO -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 1S1 -21.737 -70.612 23.754 1.00 97.87 MOL3 C ATOM 9806 CB ASP G 151 -23.142 -71.224 23.629 1.00105.42 MOL3 C ATOM 9807 CG ASPG 151 -24.238 -70.2B3 24.127 1.00109.22 MOL3 C ATOM 9808 OD1 ASP G 151 -24.107 -69.782 25.267 1.00112.65 MOL3 O ATOM 9809 OD2 ASP G 151 -25.227 -70.050 23.393 1.00106.71 MOL3 O ATOM 9810 C ASP G 151 -20.741 -71.668 24.234 1.00 97.93 MOL3 C ATOM 9811 0 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 1.00100.75 MOL3 C ATOM 9819 OG SER G 153 -19.102 -76.754 21.525 1.00103.57 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 0 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 1.00102.83 MOL3 C ATOM 9825 CG GLU G 154 -13.459 -74.392 17.127 1.00110.04 MOL3 C ATOM 9826 CD GLU G 154 -12.185 -75.219 17.110 1.00114.65 MOL3 C ATOM 9827 OE1 GLU G 154 -12.284 -7E.463 17.013 1.00115.83 MOL3 O ATOM 9828 0E2 GLU G 154 -11.087 -74.627 17.199 1.00118.03 MOL3 O ATOM 9829- C GLU G 154 -16.479--74-.0-62 17.135 2,0ΐτ 94.30- ΜΟΪ3 C

ATOM 9B30 O GLU G 154 -17.040 -75.112 16.80S 1.00 95.73 MOL3 O ATOM 9831 N ASG 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 1.00100.45 M0L3 C ATOM 9834 CG AEG G 155 -19.171 -71.729 13.872 1.00109.67 MOL3 C ATOM 9835 CD AEG G 155 -19,914 -73.029 13.582 1.00123.25 MOL3 C ATOM 9836 NE ARG G 155 -20.850 -72.903 12.463 1.00134.78 MOL3 N ATOM 9837 CZ ARG G 1ΞΞ -21.639 -73.884 12.024 1.00138.84 MOL3 C ATOM 9838 NH1 ARG G 155 -21.613 -75.078 12.608 1.00138.39 MOL3 N ATOM 9839 NH2 ARG G 155 -22.459 -73.672 11.000 1.00139.22 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 0 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 GANG 156 -14.591 -74.308 11.624 1.00 95.83 MOL3 C ATOM 9845 CG GLN Q 156 -14.291 -75.037 12.923 1.00100.09 MOL3 C ATOM 9846 CD GLN G 156 -13.026 -75.863 12.854 1.00102.50 MOL3 C ATOM 9847 OE1 GLN G 156 -12.863 -76.711 11.973 1.00103.44 MOL3 O ATOM 9848 NE2 GLN G 156 -12.119 -75.619 13.791 1.00102.22 KOL3 N ATOM 9849 C GLN G 156 -16.169 -72.689 10.551 1.00 91.14 KOL3 C ATOM 9850 O GLN G 156 -15.755 -71.786 9.824 1.00 93.38 KOL3 O ATOM 9851 N ΑΞΝ G 157 -17.264 -73.389 10.290 1.00 92.22 KOL3 N ATOM 9852 CA ASN G 157 -18.072 -73.167 9.098 1.00 93.67 MOL3 C ATgM 9853 CB ASN G 157 -19.184 -74.217 9.050 1.00103.01 M0L3 C ATÓW 9854 CG ASN G 157 -19.000 -75.313 10.104 1.00113.70 MOL3 C ATOM 9855 GDI ASN G 157 -18.963 -75.041 11.310 1.00116.52 M0L3 0 ATOM 9856 ND2 ASN G 157 -IB.879 -76.558 9.650 1.00120.16 MOL3 N ATOM 9857 C ASN G 157 -18.690 -71.775 9.124 1.00 91.09 MOL3 C ATOM 9858 0 ASN G 157 -19.125 -71.302 10.172 1.00 90.64 MOL3 0 ATOM 9859 N GLY G 158 -18.733 -71.119 7.971 1.00 88.90 MOL3 N ATOM 5860 CA GLY G 158 -19.320 -69.794 7.915 1.00 85.15 MOL3 C ATOM 9861 C GLY G 158 -1Θ.383 -68.697 8.376 1.00 83.29 MOL3 C ATOM 9862 0 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 CGI 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 9 B6 8 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 9S71 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 M0L3 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 0 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 M0L3 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 -55.146 9.317 1.00 77.22 M0L3 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 68.33 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 Cft ΓΚ2 <9 162 -5.502 -69.181 5.920 1.00 6-4.80 WíJ C ATOM 9B94 CB TOP G 163 -4.408 -61.248 6.071 1,00 68,16 MOL3 C ATOM 9895 CG TOP G 163 -4.822 -62.514 6.795 1.00 76.12 MOL3 C ATOM 9896 CD2 TOP G 163 -5.513 -63.643 6.235 1.00 80.83 MOL3 C ATOM 9897 CB2 TOP G 163 -5.6S2 -64.603 7.264 1.00 83.42 MOL3 C ATOM 9898 CE3 TOP G 163 -6.02S -63.937 4.966 1.00 82.68 MOL3 C ATOM 9899 CD1 TOP G 163 -4,582 -62.830 8.104 1.00 80.00 MOL3 C ATOM 9900 NE1 TOP G 163 -5.076 -64.084 8.394 1.00 Θ0.39 M0L3 N ATOM 9901 CZ2 TOP G 163 -6.281 -65.834 7.060 1.00 65.36 MOL3 C ATOM 9902 CZ3 TOP G 163 -6.648 -65.160 4.766 1.00 64.45 MOL3 C ATOM 9903 CH2 TOP G 163 -6,770 -66.092 Ξ.807 1.00 87.80 MOL3 C ATOM 9904 C TOP G 163 -4,982 -59.033 5.036 1.00 60.39 MOL3 C ATOM 9905 O TOP G 163 -5.153 -59.050 3.818 1,00 60.85 M0L3 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.B00 -56.913 4.909 1.00 56.33 M0L3 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 1.0D 56.32 MOL3 O ATOM 9913 N ASP H 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 Θ 165 0,372 -57.179 1.528 1.00101.27 MOL3 C ATOM 9917 ODl ASP G 165 1.022 -58.140 2.009 1.00108.00 MOL3 O ATOM 9918 OD2 ASP G 165 -0.128 -57.195 0.378 1.00107.68 MOL3 O ATOM 9919 C ASP G 165 0.513 -55.375 4.803 1.00 68.97 MOL3 C ATOM 9920 0 ASP G 165 -0.09E -54 .527 5.447 1.00 69.63 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 WOL3 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 IMOL3 C ATOM 9934 ODl 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 M0L3 N ATOM 9939 CA SER G 16B 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 16 8 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.IB 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 1.00106.84 M0L3 C ATOM 9948 CD LYS G 169 2.542 -43.944 9.520 1.00112.36 MOL3 C ATOM 9949 CE LYS G 169 2.008 -42.599 9.026 1.00113.28 MOL3 C ATOM 9950 NZ LYS G 169 2.110 -42.459 7.540 1.00112.32 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· ODl ASP* G 170- 1.832 - 5(1.374 13.439 l.OO- 79,81 MOL·3 cr

ATOM 9958 0D2 ASP G 170 2.393 -50.924 11.365 1.00 55.94 MOL3 O ATOM 9959 C ASP G 170 4.950 -50.886 10.860 1.00 62.81 MQL3 C ATOM 9960 O ASP G 170 5.218 -51.724 11.707 1.00 56.54 MOL3 O ATOM 9961 IT SER G 171 4.929 -51.174 9.571 1.00 62.07 MOL3 W 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 0 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 0 ATOM 9967 W 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 OQ1 THR G 172 0.843 -53.126 11.793 1.00 57.39 MOL3 0 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 0 THR G 172 1.560 -54.837 8.973 1.00 66.87 MOL3 O ATOM 9974 IT 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 CEl TYR G 173 3.559 -59.283 8-982 1.00 61.26 MOL3 C ATOM 9930 CD2 TYR G 173 1.246 -58.630 7.681 1.00 52.61 MOL3 C ATJJJM 9981 CE2 TYR G 173 2.374 -59,967 6.948 1.00 59.87 MQL3 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 MOIj3 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 IT 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 998B 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 0 ATOM 9990 C SER G 174 -4.886 -57.806 9.710 1.00 51.11 M0I.3 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.B98 -58.280 10.423 1.00 53.77 MOL3 N ATOM 9993 CA MET G 175 -6.S30 -59.247 9.864 1.00 51,80 MOD3 C ATOM 9994 CB MET G 175 -5.387 -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 0 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 -SB.410 8.761 1.00 55.22 MOL3 O ATOM 10004 C SER G 176 -11.39B -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 M0L3 0 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 ΜΟΙι3 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 0 ATOM 10012 M THR G 178 -14.814 -62.633 10.08B 1.00 64.74 MOL3 W ATOM 10013 CA THR G 178 -15.249 -62.391 10.129 1.00 71.96 MOL3 C ATOM 10014 CB THR G 178 -16.583 -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.B6 K0L3 C ATOM 10017 C THR G 178 -17.072 -63,.683 10.213 1,00 72.48 KOL3 C ATOM 10018 O THR G 178 -17.084 -64.490 9.281 1.00 73.46 MOL3 0 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- 1002Ί CB AEtl G 1731 -18-. 697 -65.4-32 12. 97Φ 1.00-68-.50 KOL3- 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 -Θ4.71Β 10.968 1.00 76.98 MOL3 C ATOM 10026 O LEU G 179 -20.728 -63.922 11.567 1.00 76.00 MDL3 O ATOM 10027 N THR G 180 -20.380 -65.319 9.849 1.00 80.86 MOL3 ΪΓ 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 1B0 -22.652 -66.205 9.554 1.00 B8.98 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 -24.758 -66.813 10.663 1.00 96.51 M0L3 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 -66.358 10.095 1.00100.13 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 -67.131 10.340 1.00105.38 MOL3 N ATOM 10043 CA THR G 182 -28.477 -66.044 9.914 1.00107.74 MOL3 C ATOM 10044 CB THR G 182 -29.257 -68-074 9.395 1.00110.79 MOL3 C ATOM 10045 OG1 THR G 182 -30.540 -67.544 8.915 1.00109.92 MOL3 O ATOM 10046 CG2 THR G 182 -29.438 -69.123 10.507 1.00108.26 MOL3 C ATOM 10047 C THR G 182 -29.171 -66.309 11.163 1.00107.32 MOL3 C ATOM 10048 O THR G 182 -28.976 -66.841 12.259 1.00109.13 MOL3 O ATOM 10049 N LYS G 183 -29.967 -65.258 11.001 1.00104.23 MOL3 N ATOM 10050 CA LYS G 183 -30,668 -64.653 12.129 1.00104.07 MOL3 C ATOM 10051 CB LYS G 183 -31.821 -63.787 11.612 1.00102.44 MOL3 C ATOM 10052 CG LYS G 183 -32.242 -62.630 12.572 1.00105.36 MOL3 C ATOM 10053 CD LYS G 183 -33,511 -61.955 12.110 1.00109.07 MOL3 C ATOM 10054 CE LYS G 183 -34.050 -61.024 13.207 1.00110.44 MOL3 C ATOM 10055 NZ LYS G 183 -35.418 -60.4B4 12-935 1.00107.50 MOL3 N ATOM 10056 C LYS G 183 -31.194 -65.718 13.102 1.00105.08 KOL3 C ATOM 10057 O LYS G 183 -31.237 -65.505 14.319 1.001Q2.43 MOL3 0 ATOM 10058 N ASPG 184 -31.580 -66.870 12.559 1.00105.91 MOL3 N ATOM 10059 CA ASPG 184 -32.094 -67.957 13.373 1.00107.91 MOL3 C ATOM 10060 CB ASP G 184 -32,557 -69.140 12.498 1.00117.94 MOL3 C ATOM 10061 CG ASP G 184 -33.616 -68.747 11.486 1.00126.79 MOL3 C ATOM 10062 OD1 ASP G 184 -34.290 -67.708 11.690 1.00127.71 MOL3 O ATOM 10063 OD2 ASP G 184 -33.777 -69.497 10.491 1.00128.78 MOL3 O ATOM 10064 C ASPG 184 -31.043 -68.494 14,341 1.00104.94 MOL3 C ATOM 10065 0 ASPG 184 -31.191 -68.358 15.558 1.00104.52 MOL3 O ATOM 10066 N GLU G 185 -29.991 -69.102 13.789 1.00101.31 MOL3 N ATOM 10067 CA GLU Θ 185 -28.907 -69.688 14.584 1.00 98.96 MOL3 C ATOM 10068 CB GLU G 185 -27.840 -70.296 13.S50 1.0010B.09 MOL3 C ATOM 10069 CG GLU G 185 -26.705 -71.111 14.332 1.00117.38 MOL3 C ATOM 10070 CD GLU G 185 -27.117 -72.51B 14.798 1.00123.07 MOL3 C ATOM 10071 OE1 GLU G 18Ξ -26.212 -73.311 15,148 1.00124,88 MOL3 O ATOM 10072 0E2 GLU G 185 -28.328 -72.835 14.823 1,00125.11 MOL3 O ATOM 10073 C GLU G 185 -28.282 -68.661 15.536 1.00 93.54 MOL3 C ATOM 10074 0 GLU G 185 -27.782 -69.011 16.610 1.00 89.75 MOL3 O ATOM 10075 H 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 M0L3 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 M0L3 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 M0L3 O ATOM- 10085 C TYR" G" 186 -PR.556 -66.2Ϊ3 17-,262- 2 . OO 88-P3 MOL3- O ATOM 10086 O TYR G 186 -27.981 -66.039 18.333 1.00 BB.SO 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 1.00102.44 MOX.3 C ATOM 10090 CG GLU G 187 -32.416 -65.167 16.721 1.00105.29 MOL3 C ATOM 10091 CD GLU G 187 -32.148 -63.778 17.267 1.00110.80 M0L3 C ATOM 10092 OE1 GLU G 187 -32.541 -62.790 16.608 1.00112.95 MOL3 O ATOM 10093 ΟΕΞ GLU G 187 -31.541 -63.671 18.355 1.00110.52 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 8B.00 MOL3 O ATOM 10096 N ARG G 18B -30.537 -68.736 18.668 1.00 96.51 MOL3 M ATOM 10097 CA ARG G 188 -30.443 -69.985 19.415 1.00101.16 MOL3 C ATOM 10098 CB ARG G 188 -30.269 -71.148 18.419 1.00104.44 MOL3 C ATOM 10099 CG ARG G 188 -31.359 -71.174 17.348 1.00110.74 MOL3 C ATOM 10100 CD ARG G 188 -30.994 -72.003 16.116 1.00120.65 MOL3 C ATOM 10101 KB ARG G 188 -31.985 -71.825 15.047 1.00132.41 MOL3 N ATOM 10102 CZ ARG G 188 -31.869 -72.307 13.808 1.00138.16 MOL3 C ATOM 10103 NH1 ARG G 188 -30.797 -73.009 13.458 1.00140.93 MOL3 N ATOM 10104 HH2 ARG G 108 -32.829 -72.085 12.913 1.00137.B5 MOL3 N ATOM 10105 C ARG G 18B -29.336 -70.007 20.486 1.00103.12 MOL3 C ATOM 10106 O ARG G 188 -29.368 -70.847 21.394 1.00107.79 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 AT£fI 10109 CB HIS G 189 -26.008 -69.609 20.773 1.00106.66 MOL3 C ATOM 10110 CG HIS G 189 -26.170 -70.941 20.109 1.00115.83 MOL3 C ATOM 10111 CD2 HIS G 189 -25.758 -72.179 20.475 1.00120.97 MOL3 C ATOM 10112 ND1 HIS G 189 -26.831 -71.099 18.909 1.00119.62 MOL3 N ATOM 10113 CE1 HIS G 189 -26.818 -72.375 IB.564 1.00122.11 MOL3 C ATOM 10114 MB2 HIS G 189 -26.173 -73.051 19.497 1.00124.75 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 -65.694 21.418 1.00 96.04 MOL3 O ATOM 10117 H 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 1.00101.88 MOL3 C ATOM 10119 CB ASN G 190 -26.754 -66.199 25.066 1.00111.52 MOL3 C ATOM 10120 CG ASN G 190 -26.257 -67.279 26.033 1.00118.94 MOL3 C ATOM 10121 OD1 ASN G 190 -25.113 -67.242 26.503 1.00121.56 MOL3 O ATOM 10122 ND2 ASN G 190 -27.129 -68.240 26.342 1.00118.18 M0L3 H ATOM 10123 C ASN G 190 -24.658 -65.739 23.755 1.00101.17 MOL3 C ATOM 10124 O ASN G 190 -24.443 -64.544 23.542 1.00 9B.80 M0L3 O ATOM 10125 N SER G 191 -23.682 -66.600 24.051 1.00101.74 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 1.00103.81 MOL3 C ATOM 10128 OG ÊBR G 191 -21.036 -68.143 24.845 1.00107.17 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 -6S.207 22.495 1.00 93.09 MOL3 H 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 M0L3 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 MOD3 C ATOM 10142 0 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 0G1 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 -15.557--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 20.570 1.00 79.54 MOL3 0 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 17.4D2 1.00 90.85 MOL3 S ATOM 10156 N GLO G 195 -11.357 -65.812 19.793 1,00 83.79 M0L3 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 21.0B8 1.00 96.62 MOL3 C ATOM 10159 CG GLU G 195 -9.171 -67.893 22.116 1.00106.95 MOL3 C ATOM 10160 CD GLU 8 195 -9.346 -69.322 22.613 1.00112.29 MOL3 C ATOM 10161 OBI GLU G 195 -9.191 -70.258 21.796 1.00111.34 MOL3 O ATOM 10162 OE2 GLU G 195 -9.646 -69.508 23.B16 1.00117.09 MOL3 O ATOM 10163 C OLD G 195 -8.906 -66.075 19.503 1.00 82.05 MOL3 C ATOM 10164 0 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 .1.96 -6.84B -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 -S.S67 -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 0 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 19.49B 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 0 THR G 197 -2.459 -66.640 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 19B -0.63B -63.860 18.447 1.00 60.91 MOL3 C ATOM 10160 CG HIS G 198 0.35B -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 19B 1.556 -62.846 15.751 1.00 77.19 MOL3 C ATOM 10134 NE2 HIS G 198 1.864 -61.901 16.623 1.00 76.10 MOL3 N ATOM 10185 C HIS Q 19B 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 3 199 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 S 199 6.779 -65.126 17.299 1.00 64.96 MOL3 C ATOM 10192 CE LYS 3 199 6.775 -66.158 16.187 1.00 69,07 MOL3 C ATOM 10193 HZ LYS G 199 7.322 -67.468 16.637 1.00 72.23 M0L3 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 M0L3 O ATOM 10196 N THR G 200 3.129 -63.798 20.374 1.00 57.91 M0L3 N ATOM 10197 CA THR G 200 3.394 -62.822 21.431 1.00 63.29 M0L3 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 3.1B9 -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 0 THR G 200 3.555 -62.727 23.821 1.00 64.89 MOL3 0 ATOM 10203 N SER G 201 2.132 -64.250 22.941 1.00 73.50 MOL3 M 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.Ξ34 -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 0 ATOM 10207 C SER G 201 1.344 -66.227 24.253 1.00 71.10 M0L3 C ATOM 10208 O SER G 201 0.392 -66.807 23.227 1.00 69.80 MOL3 O ATOM 10209 M THR G 202 1.434 -66.811 25.443 1.00 69.54 MOL3 H 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 ΑΤΟ» 10213 062 THR (J »2 3.383--08-.831 26-668 1.08 57-.12 M0L3 C

ATOM 10214 C THR G 202 -0.352 -68.370 25.950 1.00 65.96 MOL3 C ATOM 10215 O THR G 202 -0.S10 -69.460 25.864 1.00 66.45 MOt.3 O ATOM 10216 N SER G 203 -0.988 -67.260 26.2B4 1.00 67.90 MOL3 N ATOM 10217 CA SER G 203 -2.400 -67.276 26.589 1.00 74.26 KOL3 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.B50 -67.582 28.928 1.00 98.19 MOL.3 0 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 -65.1B0 25.550 1.00 75.09 KOL3 0 ATOM 10222 N PROG 204 -4.018 -66.9B9 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 G 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 CGI ILE G 205 -4.531 -61.395 22.814 1.00 61.60 MOL3 C ATOM 10234 CD1 ILE G 205 -4.220 -60.153 23.70.1 1.00 58.09 MOL3 C ATOM 10235 C ILE G 205 -7.862 -63.256 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 ΑΤ$Μ 10237 N VAL G 206 -3.750 -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 CGI 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 93.47 MOL3 C ATOM 10248 CD LYS G 207 -11.526 -58.294 24.037 1.00111.91 MOL3 C ATOM 10249 CE. LYS G 207 -10.304 -57.448 24.421 1.00116.09 MOL3 C ATOM 10250 NZ LYS G 207 -10.490 -S6.69S 25.704 1.00120.25 MOL3 M 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 WOL3 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 -15.626 -61.667 23.528 1.00 91.34 MOL3 C ATOM 10255 CB SER G 208 -15.802 -62.950 24.336 1.00 93.27 M0L3 C ATOM 10256 OG SER G 208 -15.601 -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 M0L3 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 1.00103.82 MOL3 C ATOM 10269 O PHE G 209 -21.449 -62.160 23.314 1.0D102.26 MOL3 O ATOM 10270 N ASN G 210 -22.290 -60.873 24.976 1.00110.23 MOL3 N ATOM 10271 CA ASN G 210 -23.531 -61.633 25.117 1,00117.84 MOL3 C ATOM 10272 CB ASN G 210 -23.762 -61.980 26.594 1.00123.10 MOL3 C ATOM 10273 CG ASN G 210 -22.563 -62.675 27.228 1.00129.22 MOL3 C ATOM 10274 OD1 ASN G 210 -22.209 -63.796 26.852 1.00133.16 MOL3 O ATOM 10275 ND2 ASN G 210 -21.927 -62.007 28.190 1.00129.15 MOL3 N ATOM 10276 C ASN G 210 -24.693 -60.789 24.602 1.00120.46 MOL3 C ATOM 10277 Cr SSIt 6 214 -24.562-59.571 24.462 1.TO119-54 ΜΦ2 O

ATOM 10278 N ARG G 211 -25.829 -SI.423 24.320 1.00124.75 M0L3 H ATOM 10279 GA JffiG G 211 -26.979 -60.670 23.839 1.00130.59 MOL3 C ATOM 10280 CB ARGG 211 -27.B90 -61.539 22.977 1.00131.16 MOL3 C ATOM 10281 CG ARG G 211 -27.566 -61.4B3 21.503 1.00130.04 MOL3 C ATOM 10282 CD ARG G 211 -27.004 -62,801 21.041 1.00133.22 M0L3 C ATOM 10283 NE ARG G 211 -27.930 -63.897 21.313 1.00137.59 M0L3 N ATOM 10284 CZ ARG G 211 -29.186 -63.941 20.B77 1.0013B.B3 M0L3 C ATOM 10285 NH1 ARG G 211 -29.673 -62.944 20.148 1.00138.40 MOL3 If ATOM 10286 NH2 ARG G 211 -29.955 -64.985 21.163 1.00137.56 MOL3 N ATOM 10287 C ARG Θ 211 -27,795 -60.035 24.958 1.00137.45 M0L3 C ATOM 10288 O ARG G 211 -28.240 -60.705 25.901 1.00135.00 M0L3 O ATOM 10289 N ASK G 212 -27.967 -58.721 24.837 1,00146.87 M0L3 N ATOM 10290 CA ASK G 212 -28.733 -57.921 25.787 1.00155.81 M0L3 C ATOM 10291 CB ASN G 212 -27.832 -56.886 26.487 1.00155.75 MOL3 C ATOM 10292 CG ASN G 212 -26.473 -56.724 25.813 1.00156.88 M0L3 C ATOM 10293 OD1 ASK G 212 -26,382 -56.437 24.615 1.00158.35 M0L3 O ATOM 10294 KD2 ASN G 212 -25.408 -56.898 26.589 1.00155.49 M0L3 N ATOM 10295 C ASK G 212 -29.864 -57.214 25.031 1.00161.50 MOL3 C ATOM 10296 O ASN G 212 -30.919 -56.922 25.600 1.00162.29 M0L3 O ATOM 10297 N GLUG 213 -29.621 -56.951 23.745 1.00167.90 MOL3 N ATOM 10298 CA GLUG 213 -30.572 -56.302 22.833 1.00173.47 MOL3 C ATOM 10299 CB GLU G 213 -31.773 -57.228 22.588 1.00173.00 M0L3 C ATOM 10300 CG GLU G 213 -32,233 -57.300 21.128 1.00170.59 M0L3 C ATOM 10301 CD GLU G 213 -31.234 -58.015 20.224 1.00169.54 MOL3 C ATOM 10302 ΟΞ1 GLU G 213 -31.531 -58.181 19.020 1.00167.25 M0L3 O ATOM 10303 OE2 GLU G 213 -30.155 -58.412 20.714 1.00169.23 MOL3 O ATOM 10304 C GLU G 213 -31.069 -54.906 23.246 1.00176.92 MOL3 C ATOM 10305 O GLU G 213 -31.944 -54.770 24,108 1.00177.92 MOL3 O ATOM 10306 N CYS G 214 -30.508 -53.875 22.612 1.00179.94 MOL3 N ATOM 10307 CA CYS G 214 -30.882 -52.482 22.879 1.00182.62 MOL3 C ATOM 10308 CB CYS G 214 -30.427 -52.051 24.283 1.00184.29 MOL3 C ATOM 10309 SG CYS G 214 -31.491 -50.813 25.116 1.00183.85 MOL3 S ATOM 10310 C CYS G 214 -30.238 -51.559 21.B40 1.00183.45 MOL3 C ATOM 10311 O CYS G 214 -29.526 -52.080 20.951 1.00184.03 MOL3 O ATOM 10312 OXT CYS G 214 -30.454 -50.329 21.926 1.00183.24 MOL3 O ATOM 10313 CB GLU Η 1 12.319 -45.817 -24.866 1.00 80.69 MOL3 C ATOM 10314 CG GLU Η 1 12.972 -44.504 -24.427 1.00 96.38 MOL3 C ATOM 10315 CD GLU Η 1 14.460 -44.643 -24.132 1.00103.23 MOL3 C ATOM 10316 OE1 GLU Η 1 15.209 -45.116 -25.019 1.00106.26 MOL3 O ATOM 10317 0E2 GLU Η 1 14.875 -44.275 -23.007 1.00104.29 MOL3 O ATOM 10318 C GLU Η 1 10.202 -47.001 -25.4 87 1.00 70.52 MOL3 C ATOM 10319 O GLU Η 1 10.107 -46.972 -26.716 1.00 78.90 M0L3 0 ATOM 10320 H GLU Η 1 10.426 -45.808 -23.286 1.00 67.19 MOL3 N ATOM 10321 CA GLU Η 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 M0L3 N ATOM 10323 CA VAL H 2 9.219 -49.211 -25.3B1 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 CGI 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 -24.3B6 1.00 73.31 MOL3 ο ATOM 10329 N GLK H 3 6.8Θ9 -48.543 -25.158 1.00 61.09 M0L3 H ATOM 10330 CA GLK H 3 Ξ.497 -48.718 -24.730 1.00 57.29 M0L3 C ATOM 10331 CB GLK H 3 4.66S -47.496 -25.096 1.00 67.65 MOL3 C ATOM 10332 CG GLK H 3 5.258 -46.134 -24.650 1.00 91.59 MOL3 C ATOM 10333 CD GLK H 3 5.242 -45.147 -25.770 1.00104.67 MOL3 C ATOM 10334 OE1 GLK H 3 4.181 -44.834 -26.333 1.00109.12 MOL3 O ATOM 10335 NE2 GLK H 3 6.421 -44.612 -26.103 1.00104.81 M0L3 N ATOM 10336 C GLK H 3 4.758 -49.954 -25.240 1.00 47.41 M0L3 C ATOM 10337 O GLK 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 M0L3 N ATOM 10339 CA LEU H 4 3.135 -51.674 -24,608 1.00 43.25 MQL3 C ATOM 10340 CB LEU H 4 3.844 -52.888 -24.022 1.00 40.95 MOL3 C ATOM 10341 CG- LEU- Ά 4 3.573 -54.166 -24.842- 1.06 45.87- MOLT 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 M0L3 C ATOM 10344 C LEU H 4 1.834 -51.381 -23.847 1.00 44.33 MOL3 C ATOM 10345 O LEU K 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 K 5 -0.565 -51.117 -23.885 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 CGI 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 103Ξ4 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 -4.652 -52.995 -23.211 1.00 57.62 MOL3 C ATOM 10361 O GLU H S -4.752 -51.909 -22.632 1.00 57.43 MOL3 O ATOM 10362 N SER K 7 -5.707 -53.633 -23.723 1.00 59.33 MOL3 1Ί 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 M0L3 C ATOM 10365 OG SER H 7 -6.737 -52.205 -25.866 1.00 77.01 M0L3 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 €7.04 MOL3 N ATOM 10369 CA GLY H 8 -10.386 -54.809 -23,895 1,00 76.02 MOL3 C ATOM 10370 C GLYH B -10.749 -55.612 -22.665 1.00 81.10 MOL3 C ATOM 10371 O GLY H 8 -11.307 -55.702 -22.754 1.00 79.02 MQL3 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 0 GLY H 9 -12.856 -54.671 -20.339 1.00 94.44 MOL3 0 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 M0L3 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 -58.6B1 -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 MQL3 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 -5Θ.225 -14.436 1.00 82,67 M0L3 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 0 LEU H 11 -17.611 -58.973 -19,045 1.00 72,67 MOL3 O ATOM 10388 N VAL H 12 -17.405 -60.96B -18.043 1.00 77.54 MOL3 N ATOM 103B9 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 CGI 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 0 VAL H 12 -17.820 -63.846 -IB.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 1.00101.62 MOL3 C ATOM 10398 CG GLN H 13 -22.372 -64.091 -19.903 1.00114.56 MOL3 C ATOM 10399 CD GLN H 13 -22.366 -62.559 -19.985 1.00122.12 MOL3 C ATOM 10400 OE1 GLN H 13 -23.149 -61.8B5 -19.306 1.00124.57 M0L3 O ATOM 10401 NE2 GLN H 13 -21.484 -62.009 -20.823 1.00120.27 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 B2.90 MOL3 O ATOM 10404 N PRO H 14 -19.676 -66-839 -16.040 1.00 BO.78 M0L3 N ATOM 10405 CD· PRO If 14 - 20.285 - 67.128 -16.724 1.00- 79.55 MOL7 C ATOM 10406 CA PRO Η 14 -18.073 -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 M0L3 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 -1B.61B -69.080 -20.695 1.00 89.51 MOL3 N ATOM 10412 CA GLYH 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 0 ATOM 10415 IT GLY H 16 -19.052 -67.005 -22.515 1.0D 95.37 MOL3 N ATOM 10416 CA GLYH 16 -18.916 -65.B07 -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 H 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 SERH 17 -16.939 -63.845 -27.646 1.00101.08 MOL3 O ATOM 10423 C 3ERH 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 -13.2B5 -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 0 ATOM 10433 N ARG H 19 -12.098 -60.234 -26.762 l.OD 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 WE 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 -31.000 1.00 93.84 MOL3 N ATOM 10441 HH2 ARG H 19 -8.706 -57.428 -33.584 1.00 97.79 MOL3 N ATOM 10442 C ARG K 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 -26.6B2 1.00 63.89 M0L3 H ATOM 10445 CA LEU K 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 -a.680 -58.672 -23.0B4 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 5Ξ.63 MOL3 O ATOM 10452 H SERH 21 -6.486 -56.638 -26.971 1.00 53.32 MOL3 N ATOM 10453 CA SERH 21 -5.549 -56.011 -27.892 1.00 55.06 MOL3 C ATOM 10454 CB SERH 21 -6.246 -54.909 -28.674 1.00 58.91 M0L3 C ATOM 10455 OG SER H 21 -7.620 -55.205 -28.830 1.00 74.44 M0L3 O ATOM 10456 C SER H 21 -4.388 -55.399 -27.131 1.00 55.70 MOL3 C ATOM 10457 O SERH 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 0 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 -52.5B1 -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 57.2B MOL3 C ATOM 10467 C ALA H 23 0.869 -51.532 -28.519 1.00 52.95 MOL3 C ATOM 10468 0 ALA H 23 1.175 -51.127 -27.402 1.00 56.88 MOL3 O ATOM- 10469 N ALA ii 2* 1.771 -51.865 -29\43Ί 2.00- 50.57 MGL3 14 ATOM 10470 CA ALA Η 24 3.187 -51.762 -29,132 1,00 SI.SI M0L3 C ATOM 10471 CB ALA H 24 3.903 -53.016 -29.587 1.00 62.33 MOL3 C ATOM 10472 C ALA H 24 3.811 -50.547 -29.783 1.00 49.99 MOL3 C ATOM 10473 0 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 M0L3 N ATOM 10475 CA SER H 25 5.551 -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.S93 -46.919 -28.544 1.00 47.00 MOL3 O ATOM 1047Θ C SER H 25 7.057 -48.935 -29.230 1.00 47.04 M0L3 C ATOM 10479 O SER H 25 7.347 -49.595 -28.252 1.00 52.69 MOL3 O ATOM 1048D N GLY H 26 7.919 -4B.140 -29.842 1.00 49.40 M0L3 H 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 11.235 -49.289 -29.328 1.00 46.2S 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 51.45 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 CB1 PHE H 27 8.168 -54,692 -29,790 1.00 47.63 M0L3 C ATOM 10491 CE2 PHE H 27 7.667 -52.8BB -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 AT^M 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.B48 1.00 57.40 MOL3 0 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 MOI>3 C ATOM 10498 OG1 THR H 28 12.903 -53.377 -34.559 1.00 75.00 MOL3 0 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 0 THR H 28 10.155 -55.353 -34.154 1.00 51.45 MOL3 O ATOM 10502 N PHE H 29 8.3B9 -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 -55.131 -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 0 PHE H 29 7.488 -57.338 -34.119 1.00 58.37 MOL3 0 ATOM 10513 N SER H 30 7.335 -55.921 -35.867 1.00 50.55 MOL3 N ATOM 10514 CA SERH 30 7.323 -56.967 -36.882 1.00 58.10 MOL3 C ATOM 10515 CB SER H 30 7.137 -56.339 -3B.2S2 1.00 60.76 MOL3 C ATOM 10516 OG SER H 30 6.942 -54.932 -38.165 1.00 73.31 MOL3 0 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 -5B.305 -35.005 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 0 ATOM 10524 0D2 ASP H 31 11.562 -56.510 -37.719 1.00 83.16 MOL3 0 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 0 ATOM 10527 N TYR H 32 10,025 -59.084 -33.620 1.00 58.60 MOL3 N ATOM 1052S 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 -32.050 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 CD! TYR IT 32- 12.61S -58-.301 -30-.334- 1.00 59.34 M0L3 1 ATOM 10534 CE2 TYR Η 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 B4.60 MOL3 O ATOM 10537 C TYR H 32 8.774 -60.790 -32.245 1.00 55.77 MOIj3 C ATOM 10538 O TYR H 32 7.702 -60.418 -32.703 1.00 58.35 MOL3 O ATOM 10535 N ASN H 33 8.306 -61.889 -31.514 1.00 52,56 MOIj3 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 MKT H 34 5.753 -62.249 -29.881 1.00 53.23 MOL3 N ATOM 10548 CA MET H 34 4.987 -61.606 -2B.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 -2B.488 1.00 53.62 MOL3 O ATOM 10555 ft AHA 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 -61.50B -24.654 1.00 49.61 MOL3 O ATOM 10560 N TRP H 35 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 35 -1.506 -62.574 -24.843 1.00 35.79 MOL3 C ATOM 10564 CD2 TRP H 35 -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 -62.397 -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 GZ2 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 43.92 M0L3 0 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 M0L3 C ATOM 10577 CGI 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 -D.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 M 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 55.84 M0L3 C ATOM 10584 CG ARG Η 3B -2.602 -66.341 -17.420 1.00 62.25 MOL3 C ATOM 10585 CD ARG Η 3B -3.791 -67.152 -16.954 1.00 69.06 MOL3 C ATOM 10586 HE ARG Η 3Θ -4.874 -67.146 -17.923 1.00 61.89 MOL3 N ATOM 105 87 CZ ARG Η 3B -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 HH2 ARG Η 3B -6.493 -88.177 -19.168 1.00 67.54 MOL3 N ATOM 10590 C ARG Η 3B -1.335 -64.261 -15.750 1.00 51.86 MOL3 C ATOM 10591 O ARG Η 3B -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 S4.03 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 1059-7- OKI GLN If 39- 0.339 -60.433 -11.681: 1.00 48.74 MOL3 a ATOM 10598 NE2 GUST H 39 1.4S7 -61.888 -10.405 1.00 45.99 M0L3 N ATOM 10599 C GLM H 39 -3.106 -63.582 -12.637 1.00 57.67 MOL3 C ATOM 1060D O GLN H 39 -3.627 -62.470 -12.479 1.00 61.21 M0L3 O ATOM 10601 N ALA. H 40 -3.626 -64.706 -12.156 1,00 55.62 M0L3 N ATOM 10602 CA ALA H 40 -4,855 -64.734 -11,385 1.00 55.64 M0L3 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 M0L3 C ATOM 10605 0 ALA H 40 -3.65S -64.C9E -9.421 1,00 70.41 MOL3 0 ATOM 10606 N PRO H 41 -5.745 -63.313 -9.612 1.00 67.97 IY20L3 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 M0L3 C ATOM 10609 CB PRO H 41 -7,189 -62.398 -8.019 1.00 74.44 M0L3 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 -5.243 -64.488 -6.987 1.00 76.25 M0L3 0 ATOM 10613 N GLY H 42 -4,021 -62.653 -S.620 1.00 78.76 M0L3 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 GLYH 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 -B.314 1.00 81.90 MOL3 C ATOM 10620 CG LYS H 43 -3.471 -67.Θ77 -7.436 1.00 93.04 M0L3 C ATjjpi 10621 CD LYS H 43 -3.947 -69.194 -8.050 1.00104.70 MOL3 C ATOM 10622 CE LYS H 43 -2.781 -70.168 -8.253 1.00110.69 MOL3 C ATOM 10623 NZ LYS H 43 -3.221 -71.520 -8.733 1.00110.14 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 GLYH 44 0,326 -66.578 -8.B53 1.00 69.00 MOL3 N ATOM 10627 CA GLY H 44 1.52B -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 0 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 GDI LEU H 45 5.399 -63.508 -12.993 1.0O 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 0 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 -6B.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 0 ATOM 10644 OE2 GLU H 46 -1.775 -71.611 -14.602 1.00 92.19 MOL3 0 ATOM 10645 C GLU H 46 1.200 -67.805 -17.395 1.00 60.49 MOL3 C ATOM 10646 0 GLU H 46 0.626 -66.760 -17.740 1.00 61.39 M0L3 O ATOM 10647 N TRP H 47 1.925 -68.537 -18.227 1.00 57.40 M0L3 N ATOM 10648 CA TRP H 47 2.071 -6B.147 -19.617 1.00 57.25 M0L3 C ATOM 10649 CB TRP H 47 3.319 -6S.772 -20.211 1.00 51,55 M0L3 C ATOM 10650 CG TRP H 47 3.294 -68.709 -21.680 1.00 56.49 MOL3 C ATOM 10651 CD2 TRP H 47 3.195 -69.816 -22.571 1.00 65.35 MOL3 C ATOM 10652 CS2 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 3.26B -67.586 -22.455 1.00 62.40 M0L3 C ATOM 10655 HEI 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 Q.870 -68.584 -20.432 1.00 56.11 MOL3 C ATOM 10660 0 TRP H 47 0.484 -69,739 -20.377 1.00 62.69 MOL3 0 ATOM- 1MS1 IT VAL H 40- 0-.27-0 -6T.673 -21.180 1.00 55.01 MOL3 If ATOM 10652 CA VAL Η 48 -0.879 -68.039 -22.005 1.00 53-55 MOL3 C ATOM 10653 CB VAL Η 4B -1.857 -66.855 -22.151 1.00 51-33 MOL3 C ATOM 10664 CGI VAL Η 4B -2.811 -67.067 -23.312 1.00 44.69 M0L3 C ATOM 10655 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 -65.739 -23.625 1.00 53-09 M0L3 O ATOM 10668 N ALA H 43 -0.068 -67.631 -24.265 1.00 58-16 MOL3 N ATOM 10659 CA ALA H 49 0.362 -68.046 -25.590 1.00 62-56 M0L3 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 MOI.3 C ATOM 10672 O. ALA H 49 1.571 -65.980 -25.660 1.00 69.42 MOI.3 O ATOM 10673 N THE H 50 2.025 -67.514 -27.249 1.00 65.01 M0L3 N ATOM 10674 CA THE H 50 2.987 -66.675 -27.948 1.00 65.55 MOL3 C ATOM 10675 CB THE H 50 4.472 -66.949 -27.505 1.00 66.63 MOL3 C ATOM 10676 0G1 THE H 50 5.249 -67.338 -28.641 1.00 71.68 M0L3 O ATOM 10677 CG2 THE H 50 4.559 -68.028 -26.459 1.00 56.41 MOi.3 C ATOM 10678 C THE H 50 2. B43 -66.898 -29.457 1.00 62.54 MOI.3 C ATOM 10679 0 THE H 50 2.513 -67.993 -29.897 1.00 66.24 MOL3 O ATOM 10680 N XLEH 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 10632 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 CGI 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 10637 O ILE H 51 4.776 -64.383 -31.686 1.00 63.89 MOL3 O ATOM 10688 N THE H 52 4.743 -65.884 -33.347 1.00 65.83 MOL3 N ATOM 10689 CA THE H 52 6.002 -65.409 -33.917 1.00 69.29 MOL3 C ATOM 10690 CB THE H 52 6.639 -66.493 -34.770 1.00 68.24 MOL3 C ATOM 10691 0G1 THE H 52 5.882 -66,647 -35.975 1.00 78.52 MOL3 O ATOM 10692 CG2 THE H 52 6.650 -67.819 -34.006 1.00 60.36 MOL3 C ATOM 10693 C THE H 52 5.919 -64.120 -34.725 1.0O 71.7B MOL3 C ATOM 10694 O THE 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 TYE 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 10696 CG TYR H 53 9.427 -62.665 -36.751 1.00 82.92 MOI.3 C ATOM 10699 CD1 TYE H 53 9.616 -62.317 -38.080 1.00 81.60 MQL3 C ATOM 10700 CE1 TYE 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 TYE H S3 10.767 -64.630 -37.126 1.00 89.89 MOL3 C ATOM 10703 CZ TYE H 53 10.942 -64.263 -38.445 1.00 87.12 M0L3 C ATOM 10704 OH TYE H 53 11.703 -65.053 -39.280 1.00 88.25 MOL3 0 ATOM 10705 C TYE H 53 6.476 -62.296 -37.105 1.00 89.59 MOL3 C ATOM 10706 0 TYE H 53 5.673 -61.411 -37.414 1.00 90.27 MOL3 O ATOM 10707 W GLU H 54 6.807 -63.291 -37.930 1.00 95.40 M0L3 N ATOM 10708 CA GLU H 54 6.237 -63.37S -39.276 1.00 97.31 MOL3 C ATOM 10709 CB GLU H 54 6.765 -64.602 -40.025 1.00 98.84 MOI.3 C ATOM 10710 CG GLU H 54 5.928 -65.850 -39.812 1.00108.31 MOL3 C ATOM 10711 CD GLU H 54 6.561 -66.823 -38.845 1.00112.31 MOL3 C ATOM 10712 0E1 GLU H 54 5.872 -67.781 -38.434 1.00111.19 MOL3 O ATOM 10713 OE2 GLU H 54 7.751 -66.635 -38.506 1.00114.93 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 M0L3 0 ATOM 10716 N GLY H 55 4.256 -64.024 -38.059 1.00 96.91 M0L3 N ATOM 10717 CA GLY H 55 2.832 -64.135 -37.846 1.00 99.34 M0L3 C ATOM 10718 C GLY H 55 2.269 -65.493 -38.188 1.00102.51 M0L3 C ATOM 10719 O GLY H 55 1.053 -65.678 -38.161 1.00104.24 MOL3 O ATOM 10720 N ARG H 56 3.130 -66.452 -33.510 1.00105.17 M0L3 N ATOM 10721 CA AEG H 56 2.632 -67.782 -38.849 1.00110.29 M0L3 C ATOM 10722 CB AEG H 56 2.876 -68.087 -40.341 1.00117.75 MOL3 C ATOM 10723 CG AEG H 56 L.864 -69.075 -40.980 1.00124.33 MOL3 C ATOM 10724 CD ARGH 56 0.399 -68.588 -40.858 1.00128.22 MOL3 C ATOM- 10725 Erg- MS B 56 -0.565 -69.460--41,539- 1.00127.99- MOL· 3- 14 ATOM 10726 CZ MG H 56 -1,888 -69.376 -41.404 1.00127.35 MOL3 C ATOM 10727 KH1 MG H 56 -2.421 -68.456 -40.608 1.00124.30 MOL3 N ATOM 10728 NH2 ARG H 56 -2.682 -70.212 -42.067 1.00122.83 MOL3 N ATOM 10729 C AEG H 56 3.244 -68.873 -37.971 1.00107.22 M0L3 C ATOM 10730 O ARG H 56 4.154 -69.588 -38.386 1.00107.49 MOL3 O ATOM 10731 N ASN H 57 2.722 -68.984 -36.753 1.00104.15 MOL3 N ATOM 10732 CA ASN H 57 3.172 -69.969 -35.776 1.00101.40 MOL3 C ATOM 10733 CB ASN H 57 4.701 -70.090 -35.799 1.00104.71 MOL3 C ATOM 10734 CG ASN H 57 5.173 -71.513 -36.054 1.00106.01 MOL3 C ATOM 10735 OD1 ASM H 57 4.768 -72.146 -37.029 1.00104.49 MOL3 O ATOM 10736 ND2 ASN H 57 5.038 -72.020 -35.178 1.00104.68 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 53 -0.370 -69.535 -32.690 1.0G 8B.89 MOL.3 C ATOM 10742 OG1 THR H 58 -1.049 -70.677 -33.219 2.00 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 0 ATOM 10746 N TYR H 59 1.375 -70.337 -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 MOJ33 C ATJQM 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 -71.1B6 -31.715 1.00 97.03 MOL.3 C ATOM 10752 CD2 TYR H 59 4.962 -73.050 -29.730 1.00 95.37 M013 C ATOM 10753 CE2 TYR H 59 5.980 -73.2S8 -30.651 1.00 96.17 MOL3 C ATOM 10754 CZ TYR H 59 6.205 -72.324 -31.643 1.00 90,10 MOL3 C ATOM 10755 OH TYR H 59 7.201 -72.536 -32.575 1.00100.34 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. B4 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 51.15 MOL3 C ATOM 10764 CD2 TYR H 60 -3.490 -70.307 -28.164 1,00 64.94 MOt.3 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 M013 C ATOM 10769 0 TYR K 60 0.293 -73.649 -25.708 1.00 83.62 MOL3 O ATOM 10770 N ARG H 61 -1.10 7 -72.546 -24.348 1.00 87.10 MOL3 N ATOM 10771 CA ARGH 61 -0.863 -73.432 -23.227 1.00 90.67 MOL3 C ATOM 10772 CB ARGH 61 -0.879 -72.648 -21.910 1.00 89.04 MOL.3 C ATOM 10773 CG ARG H 61 -1.978 -73.017 -20.925 1.00 88.73 MOL3 C ATOM 10774 CD ARGH 61 -1.397 -73.411 -19.565 1.00 91.73 MOIi3 C ATOM 10775 NE ARGH 61 -0.283 -72.553 -19.170 1.00 93.52 14013 N ATOM 10776 CZ ARGH 61 0.477 -72.744 -18.093 1.00 96.29 MOX.3 C ATOM 10777 NH1 ARG H 61 0.252 -73 .767 -17.27B 1.00 97.97 MOL3 N ATOM 10778 NH2 ARG H 61 1.4B6 -71.918 -17.844 1.00100.59 MOL3 N ATOM 10779 C ARG H 61 -1.919 -74.527 -23.227 1.00 97.16 MOL3 C ATOM 10730 O ARGH €1 -3.079 -74,294 -23.5B2 1.00102.79 MOL3 0 ATOM 10781 N ASP H 62 -1.502 -75.736 -22.867 1.00100.75 M013 N ATOM 10782 CA ASP H 62 -2.410 -76.881 -22.803 1.00103.41 MOL3 C ATOM 10783 CB ASP H 62 -1.659 -78.133 -22,330 1.00108.69 MOL3 C ATOM 10784 CG ASP H 62 -1.031 -78.913 -23.464 1.00115.91 MCL3 C ATOM 10785 OD1 ASP H 62 -0.409 -79.959 -23.175 1.00117.07 MCL3 O ATOM 10786 0E2 ASP H 62 -1.162 -78.488 -24.634 1.00120.19 MOL3 O ATOM 10787 C ASP H 62 -3.499 -76.590 -21.783 1.00100.29 MOL3 C ATOM 10788 O ASP H 62 -3.495 -77.191 -20.711 1.00102.03 MOL3 O ATOM 1078-9- N- 5ER » 63 -4.423 -75.687 -22.0E5 1.00- 93.82 1401,2 Ν'

ATOM 10790 CA SER Η S3 -S.476 -75.357 -21.147 1.00 90.28 MOL3 C ATOM 10791 CB SER H S3 -4.859 -74.879 -19.835 1.00 87.21 MOL3 C ATOM 10792 OG SER H 63 -5.B61 -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 -72.7B7 -23.553 1.00 94.39 MOL3 C ATOM 10797 CB VAL H 64 -6.385 -71.370 -23.201 1.00 93.70 M0L3 C ATOM 10798 CGI 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 LYSH 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 1.0D 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 1.00105.41 M0L3 C ATOM 10806 CD LYSH 65 -3.130 -76.823 -27.248 1.00111.88 MOL3 C ATOM 10807 CE LYSH 65 -3.241 -76.949 -28.776 1.00117.99 MOL3 C ATOM 10808 NZ LYS H 65 -2.605 -78.188 -29.340 1.00117.99 MOB3 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 H GLY H 66 -7.554 -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 MOL.3 C ATOM 10813 C GLY H 66 -9.857 -72.956 -28.961 1.00 93.00 MOL3 C ATOM 10814 O GLY H 66 -10.562 -72.320 -29.757 1.00100.20 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 1.0D 03.37 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 -10.317 -69.342 -27.477 1.00 86.32 MOL3 O ATOM 10826 N PHE H 68 -8.764 -70.212 -27.171 1.00 01.89 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 MOL.3 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 10B36 O PHE H 68 -7.245 -69.911 -29.399 1.00 84.19 MOL3 O ATOM 10837 N THR H 63 -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 01.81 M0L3 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 MCL3 O ATOM 10841 CG2 THR H 69 -6.B92 -66.806 -32.868 1.00 86.41 MCL3 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 01.27 MOL3 O ATOM 10844 N ILE H 70 -4,364 -66.309 -30.612 1.00 72.91 MOL3 H 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 CGI 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 M0L3 C ATOM 10851 O ILE H 70 -2.949 -65.Ξ61 -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 -Z. 810- -62·.913 -33.600 1.00' 77.76 MOL3 C

ATOM 10854 CB SER Η 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 M 72 2.717 -61.26 8 -34.866 1.0 0 71.05 MOL3 C

ATOM 10863 NE ARG H 72 3.498 -60.050 -34.695 1.00 74.56 MOL3 N

ATOM 10B64 CZ ARG H 72 4.619 -59.986 -33 .984 1.00 78.18 MOL3 C

ATOM 10B65 NH1 ARG H 72 5,084 -61.071 -33.378 1.00 76,57 MOL3 N

ATOM 10B66 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 7B.26 MOL3 C ATOM 10868 0 ARG H 72 -1.565 -59.838 -37.04D 1.00 80.43 MOL3 0

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.B42 -57.204 -37.47B 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.B59 -55.575 -39.682 1.00100.81 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 -38.0B3 1.00 Θ4.03 MOL3 C

ATOM 10876 O ASP H 73 0.688 -56.864 -39.295 1.00 89.76 MOL3 O

10B77 H ASN H 74 1.425 -56.354 -37.240 1.00 B3.32 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 -38.603 1.00 84.66 MOL3 C

ATOM 10880 CG ASN H 74 3.B17 -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 M0L3 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 MQL3 C

ATOM 10B84 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 ALAH 75 1.014 -52.986 -39.371 1.00 85.59 MOL3 C

ATOM 10887 CB ALAH 75 0.045 -53.148 -40.524 1.00 81.20 MOL3 C

ATOM 10888 C ALAH 75 0.299 -52.415 -38.165 1.00 89.52 MOL3 C

ATOM 10889 O ALAH 7b -0.260 -53.180 -37.374 1.00 92.00 M0L3 O

ATOM 10890 N LYS H 76 0.328 -51.101 -37.989 1.00 91.06 M0L3 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 10B93 CG LYS H 76 -2.399 -51.881 -36.289 1.00 82.81 MOL3 C

ATOM 10B94 CD LYS H 76 -3.886 -52.035 -36.517 1.00 B2.37 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 0 LYS H 76 -0.420 -50.837 -34.432 1.00 94.15 MOL3 0

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 0 ASN H 77 0.691 -52.382 -32.267 1.00 66.82 MOL3 0

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 -32.759 1.00 66.79 MOL3 O

ATOM 10911 c SER Η 7B -0.829 -56.101 -32.328 1.00 53.26 MODS C ATOM 10912 0 SER Η 78 -0.669 -56.886 -33.244 1.00 52.52 MOL3 0

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 M0L3 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 -0.3D3 -59.632 -29.027 1.00 67.03 MOL3 C

ATOM 10917 CD1 LEU H 79 -0.069 -60.710 -30.095 1.00 61.90 MOL.3 C

ATOM 10918 CD2 LEU H 79 0.653 -59.813 -27.880 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 LED H 79 -3.005 -57,355 -29.310 1.00 60.85 MOL3 0 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 5S.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 -S.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 C2 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 0 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 0 ATOM 10933 N LEU H 81 -5.644 -61.063 -28.655 1.00 58,53 MOL3 N ATOM 10934 CA IiEUH 81 -5.931 -62.346 -28.044 1.00 59.99 MOL3 C ATOM 10935 CB IiEU H 81 -5.462 -62.403 -26.595 1.00 50.64 MOL3 C ATOM 10936 CG LEU Η 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 B1 -8,195 -61.711 -27.584 1.00 68,73 MOL3 0 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 GUI B 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 GLM 8 32 -11.871 -63.287 -30.477 1.00 82.83 MOL3 C ATOM 10946 OEl 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 0 GLN H 82 -9.270 -66.141 -28.104 1.00 75.52 MOL3 0 ATOM 10950 N MET H 83 -10.409 -64.603 -26.919 1.00 81.38 MOL3 N ATOM 10951 CA METH 83 -10.813 -65.556 -25.904 1.00 83.45 MOL3 C ATOM 10952 CB METH 83 -10.563 -64.971 -24.517 1.00 83.00 MOL3 C ATOM 10953 CG METH 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 M0L3 S ATOM 10955 CE METH 83 -9.688 -62.657 -22.254 1.00 75.89 MOL3 C ATOM 10956 C METH 83 -12.271 -65.983 -26.062 1.00 86.73 MOL3 C ATOM 10957 0 MET H 83 -13.200 -65.215 -25.790 1.00 89.34 MOL3 0 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 Η B5 -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 M0L3 C ATOM 10971 O SER H B5 -14.607 -70.755 -22.399 1.00 92.03 MOL3 0 ATOM 10972 N LEU H 86 -14.907 -68.562 -22.745 1.00 89,75 MOL3 N ATOM 10973 CA LEU Η B6 -14.245 -68.194 -21.512 1.00 89.08 MOL3 C ATOM 10974 CB LEU H 86 -14.3B1 -66.691 -21.274 1.00 85.61 MOL3 C ATOM 10975 CG LEU Η B6 -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 -56.292 -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 0 LEU H 86 -15.843 -68.768 -19.834 1.00 93.13 M0L3 0 ATOM 10980 N ARG H 87 -13.880 -69.847 -19.783 1.00 92.08 MOL3 N ATOM' 10981 CA ASG » 87 -14.232- -70". 594 -18.584 1.08 96.78 MOL3 C

ATOM 10982 CB AEG H S7 -13.291 -71.787 -18.383 1.00102.37 MOL3 C ATOM 109B3 CG AEG H 87 -13.471 -72.934 -19.379 1.00112.26 MOL3 C ATOM 109B4 CD AEG H 87 -12.508 -74.078 -19.059 1.00120.23 MOL3 C ATOM 109B5 KE ARG H 87 -12.595 -75.188 -20.006 1.00131.15 MOL3 N ATOM 109Θ5 CZ AEG H 87 -11.737 -76.205 -20.039 1.00136.65 MOL3 C ATOM 10987 HH1ARGH 37 -10.728 -76.251 -19.178 1.00139.89 MOL3 N ATOM 10988 HH2 AEG H 87 -11.882 -77.173 -20.934 1.00139.76 MOL3 N ATOM 10989 C AEG 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 ΓΓ ATOM 10992 CA ΑΙΑ H 88 -14.184 -S9.183 -15.038 1,00 95.02 MOL3 C ATOM 10993 CB ALA H 88 -15.168 -69.617 -13.963 1.00100.74 MOL3 C ATOM 10994 C ALA H 8S -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 0 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.S3 MOL3 C ATOM 10998 CB GLU Η B9 -10.242 -71.793 -14.182 1.00101.54 MOL3 C ATOM 10999 CG GLU Η B9 -10.041 -72.426 -15.559 1.00113.37 MOL3 C ATOM 11000 CD GLU H 39 -10.782 -73.752 -15.724 1.00120.39 MOL3 C ATOM 11001 OE1 GLU H 89 -10.482 -74.489 -16.694 1.00121,99 MOL3 O ATOM 11002 OE2 GLU Η B9 -11.670 -74.050 -14.890 1.00122.54 MOL3 O ATOM 11003 C GLU H 89 -9.758 -59.493 -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 ATÇjfí 11005 N ASP H 90 -10.335 -68.715 -15.980 1.00 82.95 MOL3 N ATOM 11006 CA ASPH 90 -9.517 -67.888 -16.867 1.00 80.12 MOL3 C ATOM 11007 CB ASPS 90 -10.044 -67.903 -18.306 1.00 80.37 MOL3 C ATOM 11008 CG ASPH 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 ASPH 90 -9.427 -66.451 -16.384 1.00 78.47 M0L3 C ATOM 11012 O ASPH 90 -8.768 -65.624 -17.011 1.00 78.94 MOL3 O ATOM 11013 N THE H 91 -10,088 -66.159 -15.268 1.00 76.99 MOL3 N ATOM 11014 CA THE 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 0G1 THR H 91 -12.197 -65.366 -13.658 1.00 66.56 MOL3 O ATOM 11017 CG2 THR H 91 -11.113 -53.356 -12.973 1.00 73.03 MOL3 C ATOM 3.1018 C THE 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.B86 -62.769 -14.318 1.00 71.24 M0L3 C ATOM 11022 CB ALAH 92 -5.853 -63.826 -14,695 1.00 70.68 MOL3 C ATOM 11023 C ALA H 92 -6.533 -61.467 -13.011 1.00 69.69 MOL3 C ATOM 11024 O ALAH 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 M0L3 C ATOM 11027 CB VAL H 93 -3.846 -59,099 -14.520 1.00 '57.64 MOL3 C ATOM 11028 CGI 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 TYHH 94 -4.343 -59.898 -17.810 1.00 60.17 M0L3 N ATOM 11033 CA TYRH 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.B36 -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 TYRH 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 M0L3 N ATOM 1104-5 Cft TYRH- 95 -0.237 -59.101 -19.744 1.00-42.23 MOL3 C ATOM 11046 CB TYR Η 95 0.966 -59.419 -IS.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 M0L3 C ATOM 11059 0 CYS H 96 3.444 -57.446 -22.060 1.00 48.14 MOL3 O ATOM 11060 CB CYS H 36 0.949 -57.104 -23.794 1.00 43.81 MOL3 C ATOM 11061 SG CYS H 95 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 Π 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 -50.899 -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 PROH 99 12.439 -58.718 -26.008 1.00 48.22 MOL3 C ATOM 11079 0 PROH 99 12.025 -57.635 -26.412 1.00 46.92 MOL3 O ATOM 11080 N PRO'H 100 13.703 -5B.B99 -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 O 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 -55.000 -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 M0L3 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 IB.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 H TYR H 103 19.729 -59.156 -28.691 1.00 57.42 MOL3 N ATOM 11109 CA TYR H 10-3 19-.374- -60-.529 -29.124- 1.017 60.46 MOL2 <2

ATOM 11110 CB TYR H 103 18.664 -61.242 -27.961 1.00 45.82 M0L3 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 M0L3 C ATOM 11115 CE2 TYR H 103 20.582 -61.275 -24.704 1.00 34.89 M0L3 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 M0L3 O ATOM 11118 C TYR H 103 18.557 -60.772 -30.413 1.00 62.77 MOL3 C ATOM 11119 0 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 MOI.3 C ATOM 11122 CB GLU K 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 E 104 14.026 -61.971 -33.098 1.00 81.53 MOL3 C ATOM 11125 OKI GLU H 104 14.326 -62.152 -34.298 1.00 83.61 MOL3 O ATOM 11126 0E2 GLU K 104 13.504 -62.885 -32,412 1.00 71.90 MOI.3 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 8 2.18 MOI.3 O ATOM 11129 ÍJ GLY H 105 17.356 -61.883 -33.426 1.00 83.29 MOI.3 H 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 MOI.3 O A^OM 11133 M 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 MOI.3 C ATOM 11138 O SER H 106 13.424 -66.194 -32.874 1.00 74.49 MOL3 O ATOM 11139 H ILB 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 CGI 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 E 108 12.590 -68.453 -29.788 1.00 70.96 MOL3 C ATOM 11149 CB TYR E 10B 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 K 108 9.597 -69.672 -29.968 1.00 79.87 MOL3 C ATOM 11152 CSl TYR K 108 8.398 -70.052 -29.342 1.00 84.10 MOL3 C ATOM 11153 CD2 TYR H 108 10.785 -71.254 -23.658 1.00 79.63 MOL3 C ATOM 11154 CE2 TYR H 108 9.607 -71.638 -23.026 1.00 84.89 MOL3 C ATOM 11155 CZ TYR H 108 8.418 -71.033 -2B.367 1.00 85.99 MOI.3 C ATOM 11156 OH TYR H 108 7.262 -71.382 -27.698 1.00 85.76 M0L3 0 ATOM 11157 C TYR H 108 12.582 -68.447 -28.269 1.00 66.39 M0L3 C ATOM 11158 O TYR H 108 11.756 -67.763 -27.662 1.00 66.11 M0L3 O ATOM 11159 M ARG H 109 13.501 -69.210 -27.672 1.00 60.68 MOL3 H 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 AEG H 109 13.930 -73.935 -25.963 1.00 97.73 MOL3 N ATOM 11155 CZ ARG H 109 13.978 -74.595 -27.117 1.00105.94 MOL3 C ATOM 11166 NH1 ARG H 109 13,820 -73.958 -28.272 1.00107.40 MOL3 N ATOM 11167 NH2 ARG H 109 14.172 -75.908 -27.113 1.00113.45 MOL3 N ATOM 11168 C ARG H 109 13.763 -68.076 -25.405 1.00 S3.74 MOL3 C ATOM 11169 0 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-.47-3 -26.631 1.00- 42.03 M0L3 C

ATOM 11174 CD1 LEU H 110 15.903 -53.797 -25.744 1.00 44.64 M0L3 C ATOM 11175 CD2 LEU H 110 15.237 -63.363 -28.118 1.00 27.69 MOL.3 C ATOM 11176 C LEU H 110 12.999 -65.288 -24.367 1.00 40.38 MOL3 C ATOM 11177 0 LEU H 110 11.781 -65.399 -24.491 1.00 43.05 MOL3 0 ATOM 11178 W 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 M0L3 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 M0L3 N ATOM 11187 CZ2 TRP H 111 17.065 -62.190 -22.744 1.00 57.38 MOL3 C ATOM 11188 C23 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 0 TRP H 111 12.016 -62.875 -23.645 1.00 58.35 MOL3 O ATOM 11192 Η PHE H 112 11.576 -62.454 -21,488 1.00 42.90 MOL3 N ATOM 11193 CA PHE S 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 MOI.3 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 0 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 M0L3 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 0 ALA H 113 10.031 -57.385 -22.323 1.00 53.70 M0L3 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 HD1 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 M0L3 C ATOM 11215 NE2 HIS H 114 12.579 -53.595 -23.625 1.00 58.20 M0L3 N ATOM 11216 C HIS H 114 7.645 -55.916 -21.195 1.00 40,81 MOL3 C ATOM 11217 0 HIS H 114 7.375 -56.835 -21.978 1.00 35.72 MOL3 0 ATOM 11218 N TRP H 115 6.832 -55.519 -20.228 1.00 41.79 M0L3 H ATOM 11219 CA TRP H 115 5.S14 -56,086 -19.994 1.00 41.86 MOL3 C ATOM 11220 CB TRP H 115 5.393 -56.563 -18.576 1.00 38.41 M0L3 C ATOM 11221 CG TRP H 115 6.217 -57.853 -18.2B9 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 M0L3 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 HE1 TRP Η 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 Η 11Ξ 5.536 -61.831 -17.193 1.00 37.55 MOD3 C ATOM 11230 C TRP H 115 4.580 -54.878 -20.081 1.00 45.00 MOL3 C ATOM 11231 0 TRP H 115 4.890 -53.743 -13 .831 1.00 45.07 MOL3 O ATOM 11232 N GLY II 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 M0L3 C ATOM 11235 0 GLY H 116 2.449 -54.402 -IB.154 1.00 45.88 M0L3 0 ATOM 11236 N GLN H 117 0.928 -52.937 -18.857 1.00 58.66 MOL3 N ATOM 1123? CK GLM H 11? 0.401 -50.751 -IT.514 1.00 61.51 HOI3 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 HE2 GLN H 117 -1.97a -51.780 -20.368 1.00 92.67 MOL3 N ATOM 11243 C GLN H 117 -0.640 -53.844 -17.261 1.00 53.17 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 Η 11B -3.342 -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 -5S.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 0 THR H 119 -6.326 -57.904 -17.7S7 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 ATQM 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 0 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 CGI VAL H 121 -11.013 -61.946 -18.860 1.00 35.72 FOL3 C ATOM 11268 CG2 VAL H 121 -9.749 -60.053 -19.60B 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 53.64 MOL3 O ATOM 11275 CG2 THR H 122 -13.478 -59.192 -13.769 1.00 58.83 MOL3 0 ATOM 11276 C THR H 122 -14.389 -62.179 -15.417 1.00 64.05 MOL3 C ATOM 11277 0 THR H 122 -15.403 -61.563 -15.746 1.00 54.50 MOL3 0 ATOM 11278 N VAL H 123 -14.281 -53.491 -15.514 1.00 66.51 MOL3 N ATOM 11279 CA VAL H 123 -15.375 -64.306 -IS.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 CGI 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 0 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 -54.176 -11.112 1.00 98.83 MOL3 O ATOM 11289 C SERH 124 -19.701 -64.392 -13.971 1.00 87.6B MOL3 C ATOM 11290 O SERH 124 -20.023 -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 M0L3 N ATOM 11292 CA SER H 125 -21.977 -65.265 -13.791 1.00 92.13 M0L3 C ATOM 11293 CB SERH 125 -22.540 -S6.674 -13.572 1.00 96.84 MOL3 C ATOM 11294 0G SER H 125 -22.293 -67.117 -12.244 1.00100.51 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 -S3.917 -13.372 1.00 85.49 MOL3 O ATOM 11297 N ALA H 126 -22.237 -S3.790 -11.883 1.00 86.00 MOL3 N ATOM 11293 CA ALA H 126 -22.907 -62.832 -11.016 1.00 B4.53 MOL3 C ATOM 11299 CB ALA H 126 -21,996 -62.442 -9.881 1.00 B8.38 MOL3 C ATOM 11300 C ALA H 126 -23.306 -61.596 -11.788 1.00 B3.73 MOL3 C ATOM 11301 O ALA H 126 -22-,737 -61.207 -22.222 1.D0- 21.09 MOL2 Cr

ATOM 11302 N LYS H 127 -24.261 -50.863 -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 -Ξ9.743 -12.215 1.00 97.62 M0L3 C ATOM 11305 CG LYS H 127 -26.743 -61.083 -12.805 1.00110.82 M0L3 C ATOM 11306 CD LYS H 127 -26.864 -62.183 -11.726 1.00119.00 M0L3 C ATOM 11307 CE LYS H 127 -27.463 -63.487 -12.279 1.00121.43 MOL3 C ATOM 11308 NZ LYS H 127 -27.600 -64.559 -11.240 1.00119.53 MOL3 H 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 M0L3 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 M0L3 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 H 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 M0L3 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 -24.787 -54.596 -6.378 1.00 67.68 MOL3 C ATOM 11324 O THR H 129 -23.605 -54.6Ξ7 -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 PROH 130 -26.673 -52.937 -6.633 1.00 65.48 MOL3 C ATOM 11327 CA PROH 130 -24.896 -52.664 -5.031 1.00 65.88 MOL3 C ATOM 11329 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 M0L3 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.B4 MOL3 O ATOM 11339 N SER H 132 -24.582 -53.634 0.619 1.00 77.23 MOL3 N ATOM 11340 CA SERH 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 M0L3 C ATOM 11342 OG SER H 132 -27,34 7 -54.782 1.281 1.00 76. IB 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 M0L3 O ATOM 11345 N VAL H 133 -24.678 -51.333 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 CGI VAL H 133 -22.156 -49.503 5.036 1.00 67.89 M0L3 C ATOM 11349 CG2 VAL H 133 -22.724 -49.992 2.636 1.00 67.06 M0L3 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 -55.223 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 8.531 1.00 65.24 MOL3 O ATOM 11364 N PRO H 135 -23.096 -50.8B6 10.047 1.00 65.50 MOL3 N ATOM 11365 CO PRO· H 135 -24.382 -50.282 20.247 2.00 62.86 MOL2 O

ATOM 11366 CA PRO Η 135 -22.103 -50.284 10.938 1.00 69.19 M0L3 C ATOM 11367 CB PRO H 135 -22.797 -49.015 11.403 1.00 69.64 M0L3 C ATOM 11368 CG PRO H 135 -24.228 -49.433 11.438 1.00 70.95 M0L3 C ATOM 11369 C PRO H 135 -21.655 -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 LEO H 136 -20.359 -51.267 12.296 1.00 65,79 MOL3 N ATOM 11372 CA LEU K 136 -19.826 -52.075 13.371 1.00 71.09 MOL3 C ATOM 11373 CB LEU H 136 -18.494 -52.67a 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 -20.4B4 -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 -50.63B 21.038 1.00 89.04 MOL3 C ATOM 11388 CG PRO H 138 -17.817 -49.714 20.010 1.00 84.54 M0L3 C ATSJM 11389 C PRO H 138 -20.176 -52.407 20.937 1.00100.89 M0L3 C ATOM 11390 O PRO H 138 -21.345 -52.148 20.660 1.00100.36 MOL3 O ATOM 11391 N GLY H 139 -19.836 -53.279 21.878 1.00109.51 MOL3 N ATOM 11392 CA GLY H 139 -20.B53 -53.941 22.670 1.00120.98 MOL3 C ATOM 11393 C GLY H 139 -20.971 -53.181 23.978 1.00128.74 MOL3 C ATOM 11394 O GLY H 139 -20.295 -52.169 24.177 1.00128.54 MOL3 O ATOM 11395 N SERB 140 -21.822 -53.650 24.878 2.00135.63 MOL3 N ATOM 11396 CA SER K 140 -21.972 -52.966 26.150 1.00141.95 KOL3 C ATOM 11397 CB SER K 140 -23.390 -53.172 26.677 1.00144.66 MOL3 C ATOM 11398 OG SER. H 140 -24.334 -52.676 25.736 1.00145.22 M0L3 O ATOM 11399 C SER H 140 -20.926 -53.468 27.140 1.00145.89 MOL3 C ATOM 11400 O SER H 140 -21.219 -53.715 28.310 1.00145.25 MOL3 O ATOM 11401 N ALA H 141 -19.697 -53.609 26.647 1.00151.86 M0L3 N ATOM 11402 CA ALA H 141 -18.571 -54.078 27.451 1.00157.16 M0L3 C ATOM 11403 CB ALA H 141 -17.701 -55.025 26.630 1.00156.03 MOL3 C ATOM 11404 C ALAH 141 -17.730 -52.911 27.973 1.00160.68 MOL3 C ATOM 11405 O ALAH 141 -16.497 -52.990 28.026 1.00160.33 MOL3 O ATOM 11406 N ALA H 142 -10.412 -51.831 28-348 1.00164.19 MOL3 N ATOM 11407 CA ALA H 142 -17.776 -50.631 28.893 1.00166.64 MOL3 C ATOM 11408 CB ALAH 142 -17.255 -50.915 30.311 1.00166.91 MOL3 C ATOM 11409 C ALAH 142 -16.650 -50.055 28.032 1.00166.72 MOL3 C ATOM 1141D O ALAH 142 -16.377 -50.539 26.931 1.00165.63 MOL3 O ATOM 11411 N GLN H 143 -16.003 -49.013 28.854 1.00166.73 MOL3 N ATOM 11412 CA GLN H 143 -14.907 -48.341 27.859 1.00164.95 MOL3 C ATOM 11413 CB GLN H 143 -15.225 -46.854 27.665 1.00163.69 MOL3 C ATOM 11414 CG GLN K 143 -15.857 -46.513 26.323 1.00161.37 MOL3 C ATOM 11415 CD GLN K 143 -17.151 -47.261 26.071 1.00160.20 MOL3 C ATOM 11416 OE1 GLN H 143 -18.101 -47.162 26.851 1.00159.41 MOL3 O ATOM 11417 NE2 GLN H 143 -17.198 -48.014 24.974 1.00156.54 MOL3 N ATOM 11418 C GLN H 143 -13.556 -48.471 28.556 1.00164.79 MOL3 C ATOM 11419 O GLN H 143 -13.273 -47.779 29.540 1.00163.41 MOL3 O ATOM 11420 N THR H 144 -12.724 -49.365 2S.034 1.00164.54 MOL3 N ATOM 11421 CA THR H 144 -11.390 -49.570 23.578 1.00163.56 MOL3 C ATOM 11422 CB THR H 144 -11.071 -S1.07B 28.775 1,00165.35 MOL3 C ATOM 11423 OG1 THR H 144 -12.120 -51.698 29.532 1,00165.87 MOL3 O ATOM 11424 CG2 THR H 144 -9.750 -51.250 29.533 1.00164.82 MOL3 C ATOM 11425 C THR H 144 -10.412 -48.956 27.575 1.00160,51 MOL3 C ATOM 11426 O THR H 144 -10.699 -48.883 26.377 1,00157.79 M0L3 O ATOM 11427 N ASK H 145 -9.266 -48.505 2B.078 1.00157.51 MOL3 N ATOM 11428 CA ASK H 145 -8.235 -47.872 27.258 1.00149,48 MOL3 C ATOM 11429 CB" ASK K 145 - 7.709 -49.795 2-5.115 1.01149-.22 MOL3- O ATOM 11430 CG ASN Η 14S -6.623 -48.222 25.324 1.00147.20 MOL3 C ATOM 11431 OD1 ASN Η 145 -5.591 -47.849 25.889 1.00147.24 MOL3 Ο ATOM 11432 ND2 ASN Η 145 -S.781 -48.1E3 24.010 1.00145.12 MOL3 N ATOM 11433 C ASN H 145 -8.715 -46.538 26.693 1.00141.72 MOL3 C ATOM 11434 0 ASN H 145 -9.906 -46.215 26.720 1.00138,02 M0L3 O ATOM 11435 N SER H 146 -7.766 -45.771 26.178 1.00133.35 MOL3 N ATOM 11436 CA SER H 146 -8.045 -44.461 25.629 1.00128.86 MOL3 C ATOM 11437 CB SER H 146 -6.769 -43.621 25.683 1.00132.13 MOL3 C ATOM 11438 OG SER H 146 -6.175 -43.688 26.971 1.00137.19 MOL3 O ATOM 11439 C SER H 146 -8.582 -44.487 24.198 1.00124.22 MOL3 C ATOM 11440 O SER H 146 -9.107 -43.486 23.714 1.00124.12 MOL3 O ATOM 11441 N MET H 147 -8.456 -4S.623 23.520 1.00117.70 MOL3 N ATOM 11442 CA MET H 147 -8.920 -45.725 22.137 1.00107.72 MOL3 C ATOM 11443 CB MET H 147 -7.779 -46.181 21.230 1.00108.51 MOL3 C ATOM 11444 CG MET H 147 -6.639 -45.192 21.135 1.00114.40 MOL3 C ATOM 11445 SD MET H 147 -7.112 -43.663 20.310 1.00121.49 MOL3 S ATOM 11446 CE MET H 147 -5.898 -43.614 18.963 1.00119.67 MOL3 C ATOM 11447 C MET H 147 -10.103 -46.650 21.926 1.00102.40 MOL3 C ATOM 11448 0 MET H 147 -10.288 -47.627 22.645 1.00103.99 MOL3 O ATOM 11449 N VAL Η 14B -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 VALH 148 -13.377 -46.307 20.788 1.00 86.31 MOL3 C ATOM 11452 CGI 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 M0L3 C ATOM 11454 C VAL H 148 -12.029 -47.470 19.075 1.00 90.39 M0L3 C ATOM 11455 O VAL H 148 -11.738 -46.616 18.238 1.00 85.60 M0L3 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 1.0O 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 69.01 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 15.9B5 1.00 71.83 MOL3 C ATOM 11467 CD1 LEU H 150 -16.09B -47.048 17.320 1.00 73.94 MOL3 C ATOM 11468 CD2 LEU K 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 ISO -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 M0L3 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 114 79 CB CYS H 152 -17.806 -4 9.464 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 -19.2Ξ6 -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 1S3 -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 T19.989 -53.706 5.803 1.00 61.32 MOL3 C ATOM 114 88 O LEU H 153 -21.132 -53.258 5.032 1.00 66.08 MOL3 0 ATOM 11489 N VAL H 154 -19.325 -53.984 4.683 1.00 56.07 MOL3 N ATOM 11490 CA VALH 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 CGI VAL H 154 -19.519 -52.892 1.049 1.00 46.64 MOL3 C ATOM 1149-3 CG2 VAL K 154 -18-.506 -51.767" 2-.984 1.00 50-.17 MOLl e

ATOM 11494 C VAI. Η 154 -20.150 -55.174 2.770 1.00 55.95 MOL3 C ATOM 11495 O VAL H 154 -19.257 -55.Θ19 2.240 1.00 54.52 MOL3 o ATOM 11496 N LYS H 155 -21.403 -55.624 2.853 1.00 51.21 MOL3 H ATOM 11497 CA LYS H 155 -21.742 -56.954 2.378 1.00 59.99 MOL3 C ATOM 11498 CB LYS H 155 -22.527 -57.650 3.412 1.00 60.96 MOL3 C ATOM 11499 CG LYS H 155 -22.704 -59.164 3.2Ξ3 1.00 70.31 MOL3 C ATOM 11500 CD LYS H 155 -23.715 -59.782 4.205 1.00 75.52 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 H 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 0 GLY H 156 -24.077 -57.019 -2.270 1.00 77.12 MOL3 O ATOM 11509 H TYR H 157 -21.853 -57.187 -2.577 1.00 70.56 MDL3 N ATOM 11510 CA TYR H 157 -21.847 -56.244 -3.GB7 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.B46 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 ATgjM 11517 CZ TYR H 157 -16.989 -Ξ5.155 -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 M0L3 O ATOM 11521 N PHE K 150 -21.265 -56.345 -6.028 1.00 70.19 MOL3 W 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 72.60 MOL3 C ATOM 11525 CD1 PHE H 150 -19.269 -59.804 -8.130 1.00 74.53 MOL3 C ATOM 11526 CD2 PHE H 150 -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 -IB.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 153 -21.811 -55.278 -8.533 1.00 83.42 MOL3 O ATOM 11532 ΚΓ PRO H 159 -19.SSS -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 11533 O PRO H 159 -17.813 -54,276 -7.742 1.00 76.98 MOL3 O ATOM 11539 W 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 -S5.11B -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 0 ATOM 11546 C GLU H 160 -15.065 -53.677 -8.433 1.00 B3.9B M0L3 C ATOM 11547 O GLU H 160 -15.395 -53.757 -9.614 1.00 91.30 MOL3 0 ATOM 1154 8 M PRO H 161 -14.652 -52.524 -7.B93 1.00 84.34 MOL3 N ATOM 11549 CD PRO H 161 -13.856 -51.590 -8.710 1.00 81.86 M0L3 C ATOM 1155 0 CA PRO H 161 -14.292 -52.377 -6.487 1.00 84.58 M0L3 C ATOM 11551 CB PRO H 161 -12.863 -51.880 -6.568 1.00 82.05 MOL3 C ATOM 11552 CG PRC 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 0 PRO H 161 -15.965 -50.641 -6.39B 1.00 89.34 MOL3 O ATOM 11555 N VAL H 152 -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 -51.230 -2-.558- 1.00 74.90 M0L3 C

atom 11558 CGI VAL H 1S2 -15.845 -52.113 -1.794 1.00 72.98 MOL3 C ATOM 11559 CG2 VAL R 162 -17.295 -50.272 -1.635 1.00 79.19 MOL3 C ATOM 11560 C VAL· H 162 -14.80S -49.579 -3.017 1.00 77.99 M0L3 C ATOM 11561 O VAL· H 162 -13.655 -4S.979 -2.B63 1.00 72.49 MOL3 O ATOM 11562 N THR H 153 -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 36.16 MOL3 C ATOM 11565 OG1 THR H 163 -12.847 -46.830 -3.954 1.00 77.67 MOL3 0 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 1156B 0 THR H 153 -15.849 -46.384 -0.658 1.00 86.29 MOL3 O ATOM 11569 N VAL H 154 -13.993 -47.261 0.300 1.00 78.21 MOL3 N ATOM 11570 CA VAL H 154 -14.364 -46.918 1.657 1.00 80.05 MOL3 C ATOM 11571 CB VAL H 154 -14.114 -48.113 2.575 1.00 78.14 MOL3 C ATOM 11572 CGI VAX. 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 M0Ij3 C ATOM 11579 0G1 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 M0L3 O ATOM 11583 N TRP H 166 -13.446 -42.676 5.730 1.00 78.45 MOL3 N ATOM 11584 CA TRP H 156 -14.053 -42.227 6.974 1.00 83.57 MOL3 C ATOM 11585 CB TRP H 156 -13.297 -42.835 8.154 1.00 75.83 M01j3 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 6.786 1.00 53.21 M0L3 C ATOM 1158Θ CE2 TRP H 166 -14.078 -46.473 B.497 1.00 50.55 MOL3 C ATOM 11589 CE3 TRP H 166 -15.509 -44.835 9.540 1.00 57,81 MOI.3 C ATOM 11590 CD1 TRP H 166 -12.507 -45.196 7.565 1.00 56.26 MOL3 C ATOM 11591 NE1 TRP H 156 -12.933 -46.489 7.750 1.00 49.49 MOL3 N ATOM 11592 C22 TRP H 166 -14.871 -47.524 8.936 1.00 62.55 MOL3 C ATOM 11593 C23 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 156 -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 157 -15.299 -40.182 7.387 1.00100.29 MOI.3 H ATOM 11598 CA ASM H 167 -15.482 -38.739 7.523 1.00103.08 MOL3 C ATOM 11599 CB ASN H 167 -14.688 -3B.216 8.717 1.00104.70 MOL3 C ATOM 11600 CG ASN H 167 -15.454 -38.331 10.018 1.00110.34 MOL3 C ATOM 11601 OD1 ASN H 167 -16.057 -39.366 10.309 1.00114.18 MOL3 O ATOM 11602 ND2 ASN H 167 -15.431 -37.266 10.815 1.00114.51 MOL3 N ATOM 11603 C ASN H 167 -15.037 -3Θ.025 6.261 1.00101.78 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 1.00102.77 MOL3 N ATOM 11606 CA SER H 168 -14.933 -38.133 3.828 1.00105.60 MOL3 C ATOM 11607 CB SER H 168 -15.753 -36.865 3.595 1.00108.93 MOL3 C ATOM 11608 OG SERH 168 -17.060 -37.011 4.130 1.00112.36 MOL3 O ATOM 11609 C SER H 168 -13.448 -37.825 3.656 1.00105.78 MOL3 C ATOM 11610 O SER H 168 -13.057 -37.168 2.695 1.00107.78 MOL3 O ATOM 11611 N GLY H 169 -12.621 -38.293 4.582 1.00105.25 M0L3 N ATOM 11612 CA GLY H 169 -11.197 -38.041 4.468 1.00104.83 MOL3 C ATOM 11613 C GLY H 169 -10.615 -37.471 5.740 1.00106.28 MOL3 C ATOM 11614 O GLY H 169 -9.393 -37.402 5.897 1.00103.08 MOL3 O ATOM 11615 N SER H 170 -11.495 -37.060 6.6S0 1.00107.77 MOL3· N ATOM 11618 CA SER H 170 -11.064 -36.497 7.924 1.00111.76 MOL3 C ATOM 11617 CB SER H 170 -12.291 -36.111 8.768 1.00114.37 MOL3 C ATOM 11618 OG SER H 170 -11.929 -35.539 10.020 1.00113.88 MOL3 O ATOM 11619 C SERH 170 -10.186 -37.510 8.676 1.00112.11 MOL3 C ATOM 11620 O SER H 170 -9.178 -37.145 9.287 1.00113.84 MOL3 O ATOM 11621 N LEU B 272 -10-.565 -28.783- 8-.618 1.00208.77 MOL3 EX

ATOM 11622 CA LEU Η 171 -9.811 -39.833 9.289 1.00103-21 MOL3 C ATOM 11623 CB LEU H 171 -10.746 -40.733 10.09B 1.00100.76 M0L3 C ATOM 11624 CG LEU H 171 -11.514 -40.137 11.281 1,00 97.2E 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 1.00102.49 MOL3 C ATOM 11628 O LEU H 171 -9.686 -41.390 7.478 1,00103.13 MOL3 O ATOM 11629 N SER H 172 -7.747 -40.573 8.269 1.00103.04 MOL3 N ATOM 11630 CA SER H 172 -6.919 -41.320 7.327 1.00104.87 MOL3 C ATOM 11631 CB SER H 172 -6.076 -40.361 6,487 1.00106.36 MOL3 C ATOM 11632 OG SER H 172 -5.095 -39.713 7.284 1.00107.12 MOL3 0 ATOM 11633 C SER H 172 -5.986 -42.257 8.068 1.00105.79 MOL3 C ATOM 11634 O SER K 172 -5.656 -43.336 7.581 1.00106.18 MOL3 O ATOM 11635 N SER H 173 -5.556 -41.822 9.247 1.00107.31 MOL3 N ATOM 11636 CA SER H 173 -4.646 -42.595 10.081 1.00104.81 MOL3 C ATOM 11637 CB SER H 173 -3.729 -41.646 10.866 1.00105.83 MOL3 C ATOM 11638 OG SER H 173 -4.461 -40.605 11.499 1.00 98.57 MOL3 O ATOM 11639 C SEE H 173 -5.407 -43.495 11.038 1.00102.90 MOL3 C ATOM 11640 O SER K 173 -6.477 -43.128 11.525 1.00104.60 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 -45.262 11.569 1.00 94.80 MOL3 C ATOM 11644 0 GLY H 174 -7.621 -46.721 12.247 1.00 95.87 MOL3 O ATpffl 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 -3.243 -45.928 8.358 1.00 82.39 MOL3 C ATOM 11648 CGI 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 0 VAL H 175 -6.206 -48.173 8.173 1.00 83.63 M0L3 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 -5.952 -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 -9.94B -51.410 7.910 1.00 65.62 MOL3 O ATOM 11662 N THR H 177 -8.872 -50.825 6.038 1.00 S6.48 M0L3 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 55.65 MOL3 0 ATOM 11666 CG2 THR H 177 -9.444 -49.110 4.027 1.00 56.20 M0L3 C ATOM 11667 C THR H 177 -9.420 -52.564 4.539 1.00 47.84 M0L3 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 Η 17B -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 C2 PHE H 178 -8.631 -55.285 9.393 1.00 52.32 MOL3 C ATOM 11678 C PHE Η 17B -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 116BO M PRO H 179 -9.251 -56.342 2.472 1.00 55-68 MOL3 H ATOM 116B1 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 Çr PRO H 1TR -10.851 -57.535 1.043 1.00 63.31 ΜΟΙι3 C ATOM 11686 O PRO Η 179 -11.238 -58.285 1.935 1.00 60.56 MOL3 Ο ATOM 11687 Ν ΑΙΑ Η 180 -11.572 -57.269 -0.038 1.00 70.63 MOL3 Ν ATOM 11688 CA ΑΙΑ Η 180 -12.874 -57.889 -0.222 1.00 71.32 MOL3 C ATOM 11689 CB ΑΙΑ Η 180 -13.559 -57.322 -1.456 1.00 74.52 MOL3 C ATOM 11690 C ΑΙΑ Η 180 -12.556 -59.387 -0.386 1.00 67.08 MOL3 C ATOM 11691 Ο ALA Η 180 -11.523 -59.827 -0.881 1.00 62.03 MOL3 Ο ATOM 11692 Μ VAL Η 181 -13.534 -60.168 0-039 1.00 67.73 KOL3 Ν ATOM 11693 CA VAL· Η 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 CGI 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 M0L3 O ATOM 11599 N LEO 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 CQ 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 1.00100.71 M0L3 O ATOM 11707 N GLN H 183 -17.919 -64.120 -1.119 1.00104.61 MOL3 N ATOM 11708 CA GLN Η 1B3 -18.902 -64.84S -0.323 1.00109.98 M0L3 C ATOM 11709 CB Qffl S 183 -19.488 -63.922 0.745 1.00115.13 MOL3 C ATOM 11710 CG GLH H 183 -20.405 -64.612 1-739 1.00123.91 MOL3 C ATOM 11711 CD GLH H 183 -20.898 -63.669 2.828 1.00127.70 MOL3 C ATOM 11712 OE1 GLH H 183 -20.125 -63.205 3.670 1.00127.00 MOL3 O ATOM 11713 NE2 GLH H 183 -22.193 -63.378 2.810 1.00131.46 MOL3 N ATOM 11714 C GLH H 183 -20.009 -65.3Ξ7 -1.239 1.00111.46 MOL3 C ATOM 11715 O GLN H 183 -21.092 -64.765 -1.333 1.00107.91 MOL3 O ATOM 11716 N SER H 184 -19.718 -66.463 -1.916 1.00113.64 MOL3 N ATOM 11717 CA SER H 184 -20.659 -67.076 -2.843 1.00112,70 MOL3 C ATOM 11718 CB SER H 184 -21.B45 -67.672 -2.082 1.00119.48 MOL3 C ATOM 11719 OG SER H 184 -21.434 -68.782 -1.297 1.00125.71 MOL3 O ATOM 11720 C SERH 184 -21.151 -88.077 -3.880 1.00107.75 MOL3 C ATOM 11721 0 SER H 184 -22.170 -65.407 -3.694 1.00 99.42 MOL3 O ATOM 11722 H ASP H 185 -20.393 -65.974 -4.964 1.00106.74 MOL3 N ATOM 11723 CA ASP H 185 -20.723 -65.C89 -6.068 1.00104.66 MOL3 C ATOM 11724 CB ASP H 185 -21.941 -65.62B -6.812 1.00113.67 MOL3 C ATOM 11725 CG ASP H 185 -21.725 -67.025 -7,340 1.00121.58 MOL3 C ATOM 11726 OD1 ASP Η 185 -20.920 -67.186 -8.287 1.00122.38 MOL3 O ATOM 11727 OD2 ASP H 185 -22.361 -67.958 -6.798 1.00126.77 MOL3 O ATOM 11728 C ASP H 135 -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 -51.343 -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 0 ATOM 1173B N UR 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 -SO.199 -6.608 1.00 86.86 M0L3 C ATOM 11747 OH TYR H IB7 “14.239 -SO.70S -7.663 1.00 83.28 MOL3 0 ATOM 11748 C TYR H 187 -18.456 -58.910 -1.213 1.00 72.95 MOL3 C ATOM 11749 O’ TYR H 18-7- -19.469 -58-.23:9 -1.139 1.0Ό- 79. ΟΌ- MOL3 Cr

ATOM 117SD N THR H 188 -17.887 -59.190 -0.170 1.00 70.13 M0L3 N ATOM 11751 CA THR H 188 -17.957 -58.678 1.159 1.00 89.86 M0L3 C ATOM 11752 CB THR H 188 -18.489 -59.749 2.095 1.00 71.98 M0L3 C ATOM 11753 061 THR H 188 -19.758 -60.210 1.826 1.00 81.84 MOL3 O ATOM 11754 CG2 THR H 188 -18.827 -59.190 3.500 1.00 71.01 M0L3 C ATOM 11755 C THR H 188 -16.653 -58.216 1.755 1.00 71.41 M0L3 C ATOM 11756 O THR H 188 -15.665 -58.946 1.742 1,00 72.76 M0L3 O ATOM 11757 N LEU H 189 -16.637 -56.999 2.274 1.00 72.91 M0L3 N ATOM 11758 CA LEU H 189 -15,428 -56.497 2.901 1.00 69.76 M0L3 C ATOM 11759 CB LEU H 189 -14.557 -55.728 1.897 1.00 71.14 MOL3 C ATOM 11760 CG LSU H 189 -14.614 -54.206 1.799 1.00 70.24 M0L3 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 M0L3 C ATOM 11763 C LEU H 189 -15.781 -55.637 4.106 1.00 55.92 M0L3 C ATOM 11764 0 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 M0L3 N ATOM 11766 CA SER H 190 -15.016 -54.763 6.223 1.00 65.S7 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 0 ATOM 11769 C SER H 190 -13.930 -53.706 6.364 1.0Q 63.60 MOL3 C ATOM 11770 O SER H 190 -12.930 -53.740 5.658 1.00 59.31 M0L3 0 ATOM 11771 H SER H 191 -14.138 -52.746 7.255 1.00 62.63 M0L3 N ATOM 11772 CA SER H 191 -13.134 -51.720 7.478 1.00 61.36 M0L3 C ATQ^I 11773 CB SER H 191 -13.231 -5D.600 6.447 1.00 60.89 MOL3 C ATOM 11774 OG SSR H 191 -12.151 -49.692 6.610 1.00 57.18 MOL3 O ATOM 11775 C SSR 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 0 ATOM 11777 N SER H 192 -12.157 -51.214 9.601 1.00 62.SB MOL3 N ATOM 11778 CA SER H 192 -12.105 -50.725 10.966 1.00 65.54 M0L3 C ATOM 11779 CB SER H 192 -11.263 -51.656 11.839 1.00 67.43 MCL3 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 10.033 1.00 61.68 MOL3 O ATOM 11783 N VAL H 193 -11.711 -48.654 12.105 1.00 66.29 MOL3 H 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 CGI 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 0 VAL H 193 -12,014 -47.234 14.537 1.00 74.28 MOL3 0 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 B1.76 MOL3 C ATOM 11792 CB THR H 194 -8.189 -47.107 16.078 1.00 B5.55 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 B3.35 MOL3 O ATOM 11797 N VAL H 195 -9.963 -44.761 17.203 1.00 85.63 K0L3 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 CGI 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 B6.70 M0L3 C ATOM 11803 O VAL H 195 -10.650 -44.052 19.778 1.00 89.05 MOL3 O ATOM 11804 N FRO 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 -8.12B -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 W ATOM 11812 CA SER H 197 -12.560 -42.673 23.347 1.00105.85 MOL3 C ATOM 11813- CB SESr H 197 -12-. 398 -43.573 24.583 1.00103.81 MOL3 C

ATOM 11814 OG SER Η 197 -11.381 -43.105 25.455 1.00115.70 MOL3 Ο ATOM 11815 C SER Η 197 -13.215 -41.343 23.727 1.00107.60 MOL3 C ATOM 11816 O SERB 197 -14.435 -41.250 23.879 1.00106.99 MOL3 Ο ATOM 11817 N SER Η 198 -12.400 -40.303 23.866 1.00110.77 MOL3 N ATOM 11818 CA SER H 198 -12.899 -38.978 24.212 1,00114.47 MOL3 C ATOM 11819 CB SER H 198 -11.738 -38.098 24.702 1.00116.99 MOL3 C ATOM 11820 OG SER H 198 -10.649 -38.104 23.787 1.00113.97 MOL3 O ATOM 11821 C SER H 198 -13.602 -38.310 23.024 1.00115.10 M0L3 C ATOM 11822 O SER H 198 -14.495 -37.478 23.210 1.00115.84 MOL3 O ATOM 11823 N THR H 199 -13.202 -38.678 21.807 1.00114.41 MOL3 N ATOM 11824 CA THR H 199 -13.794 -3B.105 20.596 1.00111.03 MOL3 C ATOM 11825 CE THR H 199 -12.701 -37.820 19.509 1.00111.21 MOL3 C ATOM 11826 OG1 THR H 199 -11.808 -38.936 19.401 1.00109.25 MOL3 O ATOM 11827 CG2 THR H 199 -11.899 -36.573 19.869 1.00108.67 MOL3 C ATOM 11828 C THR H 199 -14.911 -38.974 20,001 1.00107.63 MOL3 C ATOM 11829 O THR H 199 -15.168 -38.949 18.795 1.00103.69 MOL3 O ATOM 11830 H TRP H 200 -15.588 -39.720 20.867 1.00105.36 MOL3 N ATOM 1183Ί CA TRP H 200 -16.668 -40.593 20.442 1.00105.42 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 MDL3 C ATOM 11837 CD1 TRP H 200 -17.402 -41.893 17.487 1.00 87.30 MOL3 C ATOM 11838 ΝΞ1 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 11Θ42 C TRP H 200 -17.400 -41.125 21.679 1.00112.10 MOL3 C ATOM 11843 O TRP H 200 -16.751 -41.549 22.647 1.00117.37 MOL3 0 ATOM 11844 N PROH 201 -18.747 -41.110 21.669 1.00115.94 MOL3 N ATOM 11845 CD PRO H 201 -19,546 -41.871 22.643 1.00119.58 MOL3 C ATOM 11846 CA PROH 201 -19.605 -4Q.629 20.580 1.00115.85 MOL3 C ATOM 11847 CB PRO H 201 -20.974 -41.219 20.918 1.00116.63 MOL3 C ATOM 1184a C3 PRO H 201 -20.650 -42.406 21.773 1.00119.92 MOL3 C ATOM 11B49 C PROH 201 -19.663 -39.110 20.489 1.00118.24 MOL3 C ATOM 11850 O PRO H 201 -20.463 -38.567 19.728 1.00117.69 KOL3 O ATOM 11851 ΓΓ SER K 202 -18.823 -38.431 21.268 1.00122.15 MOL3 N ATOM 11852 CA SER H 202 -IB.779 -36.967 21.272 1.00123.53 KOL3 C ATOM 11853 CB SER H 202 -17.489 -36.472 21.945 1.00127.01 MOL3 C ATOM 11854 OG SER H 202 -16.332 -36.884 21.230 1.00131.60 MOL3 O ATOM 11855 C SER H 202 -18.886 -36.409 19.852 1.00121,08 MOL3 C ATOM 11856 O SER H 202 -19.941 -35.914 19.456 1.00117.79 MOL3 O ATOM 11857 K GLU H 203 -17.796 -36.485 19.094 1.00121.18 MOL3 N ATOM 11858 CA GLU H 203 -17.798 -36.009 17.718 1.00123.42 MOL3 C ATOM 11859 CB GLU H 203 -16.361 -35.814 17.220 1.00122.49 MOL3 C ATOM 11860 CG GLU H 203 -15.491 -34.967 18.151 1.00124.92 MOL3 C ATOM 11861 CD GLU H 203 -14.166 -34.537 17.521 1.00127.78 MOL3 C ATOM 11862 OE1 GLU H 203 -13.260 -34.104 18.272 1.00127.29 MOL3 O ATOM 11863 0E2 GLU H 203 -14.032 -34.618 16.279 1.00125.44 MOL3 O ATOM 11864 C GLU H 203 -18.517 -37.078 16.893 1.00124.67 MOL3 C ATOM 11865 O GLU H 203 -19.105 -38.000 17.461 1.00126.60 MOL3 O ATOM 11866 N THR H 204 -18.470 -36.970 15.567 1.00124.07 MOL3 ΚΓ ATOM 11867 CA THR H 204 -19.149 -37.940 14.706 1.00120.80 MOL3 C ATOM 11868 CB THR H 204 -20.148 -37.250 13.752 1.00123.11 MOL3 C ATOM 11869 OG1 THR H 204 -19.461 -36.838 12.560 1.00121.90 MOL3 0 ATOM 11870 CG2 THR H 204 -20.766 -36.019 14.418 1.00126.15 MOL.3 C ATOM 11871 C THR H 204 -18.199 -38.740 13.826 1.00115.81 MOL3 C ATOM 11872 0 THR H 204 -17.145 -38.251 13.422 1.00115.78 MOL3 O ATOM 11873 N VAL H 205 -18.589 -39.974 13.528 1.00109.46 MOL3 ΚΓ ATOM 11874 CA VAL H 205 -17.804 -40.839 12.661 1-00102.80 MOL3 C ATOM 11875 CB VAL H 205 -17.070 -41.924 13.433 1.00 98.37 MOL3 C ATOM 11876 CGI VAL H 205 -16.167 -42.689 12.492 1.00 94.03 MOL3 C ATOM 11877 CS2 VAL H 205 -16.271 -42.3ΐσ 14.548- 1.0-0101.45 »1 C

atom 11878 C VAL H 205 -18.760 -41.507 11.691 1.00103.28 MOL3 C ATOM 11879 O VAL H 205 -19.759 -42.109 12.102 1.00106.02 MOL3 O ATOM 11880 N THR H 206 -18.461 -41.394 10.402 1.00101.05 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 1.00101.71 MOL3 C ATOM 11883 OG1 THR H 206 -20.732 -39.998 9.601 1.00104.93 MOL3 O ATOM 11884 CG2 THR H 206 -21.261 -41.546 7.846 1.00105.24 MOL3 C ATOM 11BB5 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 118B9 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 -19.122 -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 C<3 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 61.06 MOL3 C ATOM 11900 O ASN H 208 -17.074 -44.667 1.474 1.00 78.69 MOL3 O ATQft 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 CGI 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 0 VAL H 209 -20.415 -45.318 -0.518 1.00 81.76 MOL3 O ATOM 11903 N ALA H 210 -18.665 -46.428 -1.417 1.00 75.82 MOL3 ΚΓ 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.SOI 1.00 86.08 MOL3 N ATOM 11914 CA MIS 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 -52.46B -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 M0L.3 O ATOM 11923 N PRO H 212 -18.951 -47.601 -7.746 1.00 93.11 M0L3 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 M0L3 C ATOM 11926 CB PRO H 212 -17.500 -47.090 -9.509 1.00 B7.71 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 0 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 89.33 MOL3 O ATOM 11939 C SER H 214 -23.949 -47.980 -9.290 1.00 95.88 M0L3 C ATOM 11940 O SER H 214 -25.095 -47.665 -8.984 1.00100.11 MOL3 O ATOM 1194-1 M SERB 215 -22.960 -47.104 -9.403 1.00 97.87 MOL3 M

ATOM 11942 CA SER Η 215 -23.143 -45.680 -9.1S7 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 1.00102.48 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 1.00102.78 MOL3 O ATOM 11947 N THR H 216 -23.587 -46.300 -6.B67 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 -4.891 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 M0L3 C ATOM 11956 CB LYS H 217 -22.073 -42.741 -3.42B 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 -20.302 -38.979 -5.126 1.00 90.44 M0L3 N ATOM 11961 C LYS H 217 -23.224 -43.792 -1.437 1.00 89.96 M0L3 C ATOM 11962 O LYS H 217 -23.720 -42.706 -1.156 1.00 93.10 M0L3 O ATOM 11963 N VAL H 218 -23.231 -44.843 -0.629 1.00 88.84 MOL3 N ATCM 11964 CA VAL H 218 -23.858 -44.902 0.638 1.00 87.90 MOL3 C ATOM 11965 CB VAL H 219 -24.147 -46.359 1.010 1.00 88.66 MOL3 C ATOM 11966 CGI 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 VAX H 218 -23.005 -44.391 1.837 1.00 Θ4.78 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 MOL.3 N ATOM 11971 CA ASE H 219 -22,878 -43.158 3.935 1.00 90.23 M0L3 C ATOM 11972 CB ASE 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 1.00102.60 MOL3 C ATOM 11974 OD1 ASP H 219 -20.742 -41.732 2.7BB 1,00104.56 M0L3 O ATOM 11975 OD2 ASE H 219 -22.043 -40.004 2.373 1.00102.34 M0L3 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 M0L3 O ATOM 1197B H LYS H 220 -22.962 -44.261 6.0B9 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 M0L3 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 M0L3 C ATOM 11984 NZ LYS H 220 -26.946 -48.477 4.992 1.00 8B.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 -21.7S3 -44.423 8.725 1.00 91.61 MOL3 0 ATOM 11987 H LYS H 221 -23.693 -43.500 9.343 1.00 96.99 M0L3 N ATOM L198B 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 1.00101.59 MOL3 C ATOM 11991 CD LYS H 221 -24.228 -39.946 12.803 1.00105.32 MOL3 C ATOM 11992 CE LYS H 221 -24.359 -38.736 11.884 1.00107.02 MOL3 C ATOM 11993 HZ LYS H 221 -25.213 -37.656 12.475 1.00101.78 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 » 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 13.380 1.00 83.3B M0L3 C ATOM 11999 CG2 ILE H 222 -20.164 -46.498 14.621 1.00 84.72 MOL3 C ATOM 12000 CGI ILE H 222 -19.715 -45.965 12.280 1.00 7B.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 H VAL H 223 -23.432 -45.113 15.156 1.00 90.57 M0L3 N ATOM 12005 CA VAL tf 223 -24·. 008" -44.720 16.427- 1.00 95.46 MOL3' C

ATOM 12006 CB VAL Η 223 -25.396 -44.102 16.256 1.00 91.95 MOL3 C

ATOM 12007 CGI VAL H 223 -25.266 -42.793 15.504 1.00 33.47 MOL3 C

ATOM 12008 CG2 VAL H 223 -26.318 -45.063 15.529 1.00 92.22 M0L3 C

ATOM 12009 C VAL H 223 -24.086 -45.928 17.349 1.00100.28 MOL3 C

ATOM 12010 0 VAL H 223 -24.399 -47,046 16.928 1.00105.28 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 MOL.3 C

ATOM 12013 CA PRO H 224 -23.766 -46.665 19.730 1.00102.86 MOL3 C

ATOM 12014 CB PRO H 224 -23.245 -45.828 20.882 1.00100.47 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 1.00109.86 MOL3 C

ATOM 12017 0 PRO H 224 -26.122 -46.990 19.459 1.00111.11 MOL3 O

ATOM 12018 N ARG H 225 -25.080 -48.245 21.002 1.00119.34 MOL3 N

ATOM 12019 CA ARG H 225 -26.306 -48.904 21.437 1.00129.90 MOL3 C

ATOM 12020 CB ARG H 225 -26.143 -50.422 21.468 1.00127.38 MOL3 C

ATOM 12021 CG ARG H 225 -26.052 -51.065 20.101 1,00117.97 MOL3 C

ATOM 12022 CD ARG H 225 -24.671 -50.923 19.513 1.00107.99 MOL3 C

ATOM 12023 ME ARG H 225 -24.461 -51.902 18.450 1.00107,59 M0L3 N

ATOM 12024 C2 ARG H 225 -24.624 -53.215 18.595 1.00103.80 MOL3 C

ATOM 12025 MH1 ARG H 225 -24.405 -54.031 17.570 1,00101.69 MOL3 N

ATOM 12026 NH2 ARG H 225 -25.010 -53.715 19.763 1.00101.56 MOL3 N

ATOM 12027 C ARG H 225 -26.687 -48.382 22.825 1.00138.98 MOL3 C

ATOM 12028 O ARG H 225 -25.836 -47.869 23.562 1.00138.90 MOL3 O

ATÇpl 12029 ST ASP H 226 -27.964 -48.513 23.176 1.0014B.18 MOL3 N

ATOM 12030 CA ASP H 226 -28.457 -48.017 24.461 1.00156,78 MOL3 C

ATOM 12031 CB ASP H 226 -29.974 -47.765 24.373 1.00157.84 MOL3 C

ATOM 12032 CG ASP H 226 -30.340 -46.675 23.370 1.0015B.63 M0L3 C

ATOM 12033 OD1 ASP H 226 -31.513 -46.239 23.362 1.00157.41 MOL3 O

ATOM 12034 OD2 ASP H 226 -29.461 -46,256 22.534 1.00157.97 MOL3 O

ATOM 12035 C ASP H 226 -28.140 -48.882 25.691 1.00150,96 MOL3 C

ATOM 12036 O ASP H 226 -27.022 -48.852 26.213 1.00160.25 MOL3 O

ATOM 12037 N CYS H 227 -29.129 -49.638 26.158 1.00167.01 MOL3 N

ATOM 12038 CA CYS H 227 -28.954 -50.485 27.333 1.00172.77 M0L.3 C

ATOM 12039 CB CYS H 227 -30.325 -50.765 27.988 1.00176.72 M03J3 C

ATOM 12040 SG CYS H 227 -31.668 -51.545 27.008 1.00183.08 MOL3 S

ATOM 12041 C CYS H 227 -28.199 -51.789 27.059 1.00174.15 MOL3 C ATOM 12042 O CYS H 227 -27.700 -51.958 25.921 1.00174.94 MOL3 0 ATOM 12043 OXT CYS H 227 -28.104 -52.618 27.995 1.00175.28 MOL3 0

ATOM 12044 CB GLU I 15 28.076 -18.463 -10.237 1.00162.95 MOL3 C

ATOM 12045 CG GLU I 15 27.674 -18.794 -8.792 1.00163.87 MOL3 C

ATOM 12046 CD GLU 1 IS 27.343 -17.564 -7.955 1.00163.49 M0L3 C

ATOM 12047 OE1 GLU X 15 28.222 -16.684 -7.824 1.00162.41 MOL3 O ATOM 12D48 OE2 GLU I 15 26.212 -17,481 -7,421 1.00160.36 M0L3 0

ATOM 12049 C GLU X 15 26.323 -16.749 -10.849 1.00163.75 MOL3 C ATOM 12050 O GLU I 15 25.252 -16.6S2 -10.243 1.00163.46 M0L3 0

ATOM 12051 N GLU I 15 27.404 -18.150 -12.59B 1.00161.12 M0L3 N

ATOM 12052 CA GLU I 15 26.915 -18.125 -11.IBB 1.00163.21 M0L3 C

ATOM 12053 N SER I 16 27.020 -15.693 -11.262 1.00163.58 M0L3 H

ATOM 12054 CA SER I 16 26.593 -14.319 -11.009 1.00162.86 MOL3 C

ATOM 12055 CB SER I 16 27.451 -13.714 -9.892 1.00160.63 MOL3 C ATOM 12056 OG SER I 16 27.167 -12.339 -9.700 1.00158.49 MOL3 0

ATOM 12057 C SER I 16 26.702 -13.445 -12.264 1.00164.09 M0L3 C ATOM 12058 O SER I 16 26.070 -12.390 -12.351 1.00164.62 MOL3 0

ATOM 12059 H CYS I 17 27.503 -13.895 -13.229 1.00165.88 MOL3 N

ATOM 12060 CA CYS I 17 27.723 -13.155 -14.476 1,00168.09 MOL3 C

ATOM 12061 C CYS I 17 26.405 -12.749 -15.143 1.00169-75 MOL3 C ATOM 12062 O CYS X 17 25.363 -13.364 -14.911 1.00168.23 MOL3 0

ATOM 12063 CB CYS X 17 28.B43 -13.991 -15.488 1.00168.90 MOL3 C

ATOM 12064 SG CYS I 17 29.769 -15.216 -14.875 1.00172.29 MODS S

ATOM 12065 H PRO I 18 26.441 -11.695 -15.981 1.00173.94 MOL3 N

ATOM 12066 CD PRO X 18 27.604 -10.809 -16.170 1.00175.68 MOL3 C

ATOM 12067 CA PRO I 18 25.272 -11.177 -15.707 1.00176.27 MOL3 C

ATOM 12068 CB PRO I 18 25.854 -10.018 -17.516 1.00176.47 MOL3 C ATOM- 12067 CG* PRO" I 13- 26.950- -9-.517 -16.622 1.00177.15 MODI O'

ATOM 12070 C PRO I 18 24.671 -12.262 -17.602 1.00177.65 MOL3 C ATOM 12071 0 PRO 1 18 2S.175 -12.531 -10.698 1.00177.40 MOL3 0 ATOM 12072 N PRO I 19 23.573 -12.885 -17.144 1.00178.76 MOL3 N ATOM 12073 CD PRO I 19 22.801 -12.395 -15.989 1.0017B.22 M0L3 C ATOM 12074 CA PRO I 19 22.842 -13.957 -17.833 1.00179.21 MOL3 C ATOM 12075 CB PRO I 19 21.534 -14.056 -17,037 1.00179.55 MOL3 C ATOM 12076 CG PRO I 19 21.391 -12.689 -16.414 1.00179.46 MOL3 C ATOM 12077 C PRO I 19 22.609 -13.803 -19.342 1.00179.60 MOL3 C ATOM 12078 O PRO I 19 22.938 -12.779 -19.950 1.00179.12 MOL3 0 ATOM 12079 N VAL I 20 22.040 -14.854 -19.928 1.00179.64 MOL3 N ATOM 12080 CA VAL I 20 21.747 -14.924 -21.35G 1.00179.72 MOL3 C ATOM 12081 CB VAL I 20 22.385 -16.214 -21.958 1.00179.88 MOL3 C ATOM 12082 CGI VAL· I 20 21.393 -17.369 -21.888 1.00178.65 MOL3 C ATOM 12083 CG2 VAL I 20 22.869 -15.969 -23.379 1.00179.43 MOL3 C ATOM 12084 C VAL I 20 20.221 -14.982 -21.506 1.00179.53 MOL3 C ATOM 12085 0 VAL X 20 19.513 -15.232 -20.528 1.00179.05 MOL3 0 ATOM 12086 N PRO I 21 19.695 -14.742 -22.723 1.00179.95 M0L3 N ATOM 12087 CD PRO I 21 20.392 -14.285 -23.942 1.00179.35 M0L3 C ATOM 12088 CA PRO X 21 18.247 -14,781 -22.949 1.00180.09 MOL3 C ATOM 12089 CB PRO I 21 18.151 -14.857 -24.465 1.00179.29 M0L3 C ATOM 12090 CG PRO I 21 19.237 -13.907 -24.870 1.00180.07 MOL3 C ATOM 12091 C PRO I 21 17.503 -15.917 -22.235 1.00180.81 MOL3 C ATOM 12092 0 PRO X 21 16.366 -15.731 -21.794 1.00179.87 MOL3 O ATOM 12093 M GLY I 22 18.139 -17.083 -22.117 1.00181.44 MOL3 N ATOM 12094 CA GLY I 22 17.503 -18.198 -21.432 1.00180.30 MOL3 C ATOM 12095 C GLY I 22 17.641 -19.565 -22.081 1.00179.20 MOL3 C ATOM 12096 O GLY I 22 17.286 -19.749 -23.250 1.00179.81 MOL3 O ATOM 12097 N GLY I 23 18.151 -20.527 -21.314 1.00177.37 MOL3 H ATOM 12098 CA GLY I 23 18.321 -21.882 -21.815 1.00174.20 MOL3 C ATOM 12099 C GLY I 23 19.267 -22.011 -22.996 1.00171.91 MOL3 C ATOM 12100 O GLY I 23 18.878 -22.495 -24.062 1.00173.02 MOL3 O ATOM 12101 H SER I 24 20.512 -21.584 -22.807 1.00167.31 MOL3 N ATOM 12102 CA SER I 24 21.517 -21.654 -23.861 1.00161.68 MOL3 C ATOM 12103 CB SER I 24 21.215 -20.606 -24.941 1.00161.88 MOL3 C ATOM 12104 OG SER I 24 21.059 -19.311 -24.383 1.00162.49 MOL3 O ATOM 12105 C SER X 24 22.922 -21.442 -23.296 1.00157.77 MOL3 C ATOM 12106 O SER I 24 23.103 -20.705 -22.326 1.00156.54 MOL3 0 ATOM 12107 N MET I 25 23.908 -22.101 -23.901 1.00153.19 M0L3 N ATOM 12108 CA MET I 25 25.298 -21.980 -23.470 1.00147.19 MOL3 C ATOM 12109 CB MET I 25 25.65S -23.140 -22.531 1.00148.21 MOL3 C ATOM 12110 CG MET X 25 24.828 -23.130 -21.241 1.00149.84 M0L3 C ATOM 12111 SD MET 1 25 25.033 -24.682 -20.221 1.00155.01 MOL3 S ATOM 12112 CE MET X 25 26.088 -24.076 -18.866 1.00151.08 M0L3 C ATOM 12113 C MET I 25 26.236 -21.943 -24.686 1.00143.35 MOL3 C ATOM 12114 0 MET I 25 25.825 -22.221 -25.BIS 1.00142.51 M0L3 0 ATOM 12115 N LYS I 26 27.494 -21.585 -24.449 1.00139.00 MOL3 N ATOM 12116 CA LYS X 26 28.491 -21.492 -25.514 1.00136.16 MOL3 C ATOM 12117 CB LYS I 26 29.665 -20.617 -25.051 1.00138.48 M0L3 C ATOM 12118 CG LYS I 26 29.436 -19.119 -25.209 1.00139.69 MOL3 C ATOM 12119 CD LYS I 26 28.154 -18.661 -24.524 1.00141.68 MOL3 C ATOM 12120 CE LYS 1 26 27.854 -17.196 -24.830 1.00140.20 MOB3 C ATOM 12121 NZ LYS I 26 26.570 -16.747 -24.225 1.00138.85 MOL3 N ATOM 12122 C LYS X 26 29.028 -22.842 -25.991 1.00132.33 MOL3 C 'ATOM 12123 O LYS I 26 29.700 -23.552 -25.245 1.00130.87 MOL3 O ATOM 12124 tj LED I 27 28.739 -23.182 -27.243 1.00127.83 MOL3 N ATOM 12125 CA LED I 27 29.201 -24.437 -27.820 1.00126.14 MOL3 C ATOM 12126 CB LEU I 27 28.002 -25.273 -28.267 1.00126.37 MOL3 C ATOM 12127 CG LEU 1 27 28.270 -26.698 -28.756 1.00125.28 MOL3 C ATOM 12128 CD1 LEU I 27 28.778 -27.539 -27.596 1.00123.34 M0L3 C ATOM 12129 CD2 LEU I 27 26.992 -27.300 -29.329 1,00122.30 MOL3 C ATOM 12130 C LEU I 27 30.089 -24.138 -29.022 1.00126.93 MOL3 C ATOM 12131 O LEU I 27 29.592 -23.915 -30,123 1.00125.4B MOL3 O ATOM 12132 N ASP I 28 31.400 -24.133 -28.814 1.00130.16 MOL3 N ATOM 12-m Cft ASP I 2P 32.329 -23.848 -2P. 399- 1.00133.88 »13 C

ATOM 12134 CB ASP I 28 33.775 -23.8S3 -2S.384 1.00135.45 M0L3 C atom 12135 CG ASP 1 28 34.040 -22.776 -28.349 1.00142.85 M0ti3 C ATOM 12136 0D1 ASP 1 28 33.393 -22.808 -27.282 1.00140.81 M0L3 0 ATOM 12137 0D2 ASP I 28 34.891 -21.890 -28.602 1.00145.07 M0L3 0 ATOM 12138 C ASP I 28 32.173 -24.842 -31.045 1.00133.64 M0L3 C ATOM 12139 0 ASP I 28 31.911 -26.026 -30.831 1.00131.79 MOL3 0 ATOM 12140 N ILE I 29 32.321 -24.344 -32.267 1.00135.74 MOL3 N ATOM 12141 CA XLE I 29 32.214 -25.190 -33.447 1.00138.15 MOL3 C ATOM 12142 CB ILE I 29 32.085 -24.3S5 -34.739 1.00142.38 MOL3 C ATOM 12143 CG2 ILE I 29 30.785 -23.569 -34.717 1.DD144.15 MOL3 C ATOM 12144 CGI ILE I 29 33.317 -23.463 -34.896 1.00144.80 MOL3 C ATOM 12145 CD1 ILE I 29 33.425 -22.759 -36.238 1,00144.70 MOL3 C ATOM 12146 C ILE I 29 33.486 -26.012 -33.554 1.00136.65 MOL3 C ATOM 12147 0 ILE I 29 34.481 -25.727 -32.883 1.00136.50 MOL3 0 ATOM 12148 N GLY I 30 33.455 -27.027 -34.407 1,00133.72 MOL3 N ATOM 12149 CA GLY I .30 34.625 -27.862 -34.571 1.00130.45 MOL3 C ATOM 12150 C GLY 1 30 34.696 -28.942 -33.514 1.00125.76 MOL3 C ATOM 12151 O GLY I 30 34.797 -28.668 -32.318 1.00124.14 MOL3 O ATOM 12152 N ILE I 31 34.649 -30.183 -33.973 1.00122.20 MOL3 N ATOM 12153 CA ILE I 31 34.699 -31.334 -33.095 1.00117.41 MOL3 C ATOM 12154 CB XLE I 31 33.791 -32.462 -33.634 1.00115.17 M0L3 C ATOM 12155 CG2 ILE 1 31 33.610 -33.530 -32.575 1.00115.99 MOL3 C ATOM 12156 CGI ILE I 31 32.428 -31.897 -34.053 1.00109.B9 MOL3 C ATflfi 12157 CD1 ILE I 31 32.432 -31.169 -35.3B6 1.00106.19 MOL3 C ATOM 12158 C ILE I 31 36.134 -31.849 -33.004 1.00116.13 MOL3 C ATOM 12159 O ILE I 31 36.793 -32.045 -34.022 1.00115.05 MOL3 O ATOM 12160 N ILE I 32 36.611 -32.064 -31.785 1.00116.20 MOL3 N ATOM 12161 CA ILE I 32 37.959 -32.563 -31.569 1.00119.99 MOL3 C ATOM 12162 CB XLE I 32 38.343 -32.472 -30.084 1.00121.62 MOL3 C ATOM 12163 CG2 ILE I 32 39.748 -33.022 -29.879 1.00124.67 MOÍ.3 C ATOM 12164 CGI XLE I 32 38.249 -31.020 -29.607 1.00121.53 MOL3 C ATOM 12165 CD1 ILE I 32 38.719 -30.806 -28.169 1.00120.71 MOL3 C ATOM 12166 C ILE I 32 38.087 -34.021 -32.013 1.00122.93 MOL3 C ATOM 12167 O XLE X 32 37.331 -34.877 -31.564 1.00123.52 MOL3 O ATOM 12168 N ASH I 33 39.046 -34.291 -32.896 1.00128.61 MOL3 N ATOM 12169 CA ASN I 33 39.295 -35.640 -33.410 1.00134.25 MOL3 C ATOM 12170 CB ASM I 33 39.338 -36.659 -32.266 1.00138.33 MOL3 C ATOM 12171 CG ASN I 33 40.529 -36.467 -31.350 1.00143.66 MOL3 C ATOM 12172 OD1 ASN I 33 40.677 -37.177 -30.354 1.00147.45 MOL3 O ATOM 12173 ND2 ASN I 33 41.387 -35.508 -31.682 1.00147.64 MOL3 N ATOM 12174 C ASN I 33 3B.268 -36.109 -34.434 1.00136.93 MOL3 C ATOM 12175 O ASN I 33 38.037 -37.307 -34.572 1.00137.56 MOL3 0 ATOM 12176 N GLU I 34 37.661 -35.171 -35.151 1.00141.98 MOL3 N ATOM 12177 CA GLU I 34 36.659 -35.495 -36.162 1.00147.90 MOL3 C ATOM 12178 CB GLU I 34 36.202 -34.206 -36.851 1.00149.63 MOL3 C ATOM 12179 CG GLU 1 34 35,181 -34.405 -37.957 1.00155.63 MOL3 C ATOM 12180 CD GLU I 34 34.739 -33.094 -38.585 1.00157.32 MOL3 C ATOM 12181 OE1 GLU 1 34 34.140 -32.265 -37.867 1.00159.91 MOL3 O ATOM 12182 OE2 GLU I 34 34.993 -32.894 -39.794 1.00156.42 MOL3 O ATOM 12183 C GLU I 34 37.199 -36.483 -37.198 1.00152,50 MOL3 C ATOM 12184 O GLU I 34 36.446 -37.034 -38.005 1.00150.94 MOL3 0 ATOM 12185 H ASN I 35 38.506 -36.718 -37.162 1.00160.08 MOL3 N ATOM 12186 CA ASN I 35 39.136 -37.626 -38.113 1.00166.41 M0L3 C ATOM 12187 CB ASN I 35 40.524 -37.093 -38.495 1.00169.05 MOL3 C ATOM 12188 CG ASN I 35 40.452 -35.763 -39.252 1.00168.59 MOL3 C ATOM 12189 OD1 ASN I 35 39.841 -35.678 -40.319 1.00166,12 MOL3 0 ATOM 12190 ND2 ASN I 35 41.076 -34.735 -38.696 1.00169.03 MOL3 N ATOM 12191 C ASN I 35 39.210 -39.101 -37.680 1.00167.95 MOL3 C ATOM 12192 O ASN I 35 39.466 -39,975 -38.511 1.00169.37 MOL3 O ATOM 12193 N GLN I 36 38.982 -39.380 -36.397 1.00167.80 MOL3 N ATOM 12194 CA GLN I 36 38.996 -40.760 -35.906 1.00169.12 MOL3 C ATOM 12195 CB GLN I 36 38.535 -40.814 -34.444 1.00168.38 MOL3 C ATOM 12196 CG GLN I 35 39.615 -40.555 -33.393 1.00167.52 MOL3 C ATOM 12197 CD GLN" I 35 40-.523--41.758- -32.160 1.00166.66 MOLÍ C

ATOM 12198 OE1 GLH I 36 41.340 -41.765 -32.237 1.00163.74 M0L3 O ATOM 12199 NE2 GLN I 36 40.363 -42.779 -34.000 1.00167.07 MOL3 N ATOM 12200 C GLN I 36 38.034 -41.584 -36.760 1.00171.58 MOL3 C ATOM 12201 0 GLN I 36 36.821 -41.354 -36.727 1.00169.42 M0L3 O ATOM 12202 N ARG X 37 38.569 -42.544 -37.514 1.00175.43 MOL3 N ATOM 12203 CA ARG I 37 37.741 -43.376 -38.385 1.00178.58 MOL3 C ATOM 12204 CB ARG X 37 38.587 -44.001 -39.503 1.00180.60 MOL3 C ATOM 12205 CG ARG I 37 37.771 -44,812 -40.517 1,00180.87 MOL3 C ATOM 12206 CD ARG I 37 38.629 -45.374 -41.654 1.00180.99 MOL3 C ATOM 12207 NE ARG I 37 38.691 -44.504 -42.830 1.00180.13 M0L3 N ATOM 12208 CZ ARG I 37 39.248 -43.295 -42.859 1.00179.27 M0L3 C ATOM 12209 NH1 ARG I 37 39.806 -42.780 -41.772 1.00178.28 M0L3 N ATOM 12210 NH2 ARG I 37 39.253 -42.599 -43.989 1.00178.79 MOL3 N ATOM 12211 C ARG X 37 36.966 -44.474 -37.661 1.00179.06 MOL3 C ATOM 12212 O ARG I 37 37.439 -45.049 -36.676 1.00177.51 M0L3 O ATOM 12213 N VAL X 38 35.767 -44.749-38.174 1.00180.94 MOL3 N ATOM 12214 CA VAL I 3B 34.870 -45.763-37.623 1.00181.97 MOL3 C ATOM 12215 CB VAL I 38 33.609 -45.946 -38.515 1.00182.48 MOL3 C ATOM 12216 CGI VAL I 38 32.638 -46.912 -37.851 1.00180.01 MOL3 C ATOM 12217 CG2 VAL I 38 32.940 -44.S9B -38.770 1.00182.29 MQL3 C ATOM 12218 C VAL I 38 35.578 -47.106 -37.513 1.00181.78 M0L3 C ATOM 12219 O VAL I 38 35.495 -47.940 -38.416 1.00182.53 M0L3 O ATOM 12220 N SER I 39 36.272 -47.314 -36.402 1.00180.64 MOL3 N ATOM 12221 CA SER 1 39 36.995 -48.557 -36.198 1.00180.27 MOL3 C ATOM 12222 CB SERI 39 37.880 -48.450 -34.954 1.00182.42 MOL3 C ATOM 12223 OG SER I 39 38.805 -49.523 -34.890 1.00184.31 MOL3 O ATOM 12224 C SER I 39 36.027 -49.734 -35.065 1.00178.35 MOL3 C ATOM 12225 O SER I 39 35,590 -50.080 -34.965 1.00177.64 MOL3 O ATOM 12226 N MET I 40 35.687 -50.333 -37.203 1.00175.54 MOL3 N ATOM 12227 CA MET I 40 34.791 -51.486 -37.245 1.00169.58 MOL3 C ATOM 12228 CB MET I 40 33.400 -51.100 -37.771 1.00168.92 MOL3 C ATOM 12229 CG MET I 40 32.565 -50.221 -36.855 1.00166.14 M0L3 C ATOM 12230 SD MET I 40 30.812 -50.310 -37.299 1.00161.34 M0L3 S ATOM 12231 CE MET I 40 30.822 -49.553 -38.922 1.00163.80 MOL3 C ATOM 12232 C MET I 40 35.373 -52.562 -38.159 1.00164.34 M0L3 C ATOM 12233 O MET I 40 34.960 -52.686 -39.316 1.00163.71 M0L3 O ATOM 12234 N SER I 41 36.339 -53.323 -37.649 1.00156.31 MOL3 N ATOM 12235 CA SER I 41 36.942 -54.392 -38.435 1.00148.84 MOL3 C ATOM 12236 CB SER I 41 37.887 -55.236 -37.578 1.00147.06 MOL3 C ATOM 12237 OG SER I 41 38.952 -54.454 -37.077 1.00143.09 MOL3 O ATOM 12238 C SER I 41 35.789 -55.249 -38.925 1.00145.37 MOL3 C ATOM 12239 O SER X 41 35.267 -56.089 -38.198 1.00146.63 MOL3 0 ATOM 12240 N ARG I 42 35.389 -55.020 -40.165 1.00140.97 MOL3 N ATOM 12241 CA ARG I 42 34.274 -55.735 -40.760 1.00135.24 MOL3 C ATOM 12242 CB ARG I 42 34.191 -55.397 -42.251 1.00138.21 MOL3 C ATOM 12243 CG ARG I 42 32.791 -55.444 -42.836 1.00142.33 MOL3 C ATOM 12244 CD ARG X 42 32.624 -54.362 -43.900 1.00147.22 MOL3 C ATOM 12245 NE ARG I 42 32.913 -53.033 -43.356 1.00151.01 MOL3 N ATOM 12246 CZ ARG I 42 32.777 -51.891 -44.027 1.00151.43 MOL3 C ATOM 12247 NH1 ARG I 42 32.350 -51.895 -45.284 1.00151.19 MOL3 N ATOM 12248 NH2 ARG I 42 33.074 -50.739 -43.440 1.00152.19 MOL3 N ATOM 12249 C ARG I 42 34.294 -57.249 -40.567 1.00128.50 MOL3 C ATOM 12250 O ARG I 42 35.346 -57.878 -40.420 1.00126.72 MOL3 O ATOM 12251 N ASN I 43 33.090 -57.805 -40.553 1.00121.76 MOL3 N ATOM 12252 CA ASN I 43 32.846 -59.229 -40.405 1.00114.72 MOL3 C ATOM 12253 CB ASN I 43 33.385 -59.960 -41.628 1.00121.20 MOL3 C ATOM 12254 CG ASN I 43 32.607 -59.614 -42.881 1.00126.99 M0L3 C ATOM 12255 OD1 ASN I 43 32.585 -58.458 -43.308 1.00131.03 MOL3 O ATOM 12256 MD2 ASN I 43 31.947 -60.608 -43.467 1.00128.09 MOL3 N ATOM 12257 C ASN I 43 33.274 -59.943 -39.129 1.00106.15 MOL3 C ATOM 12258 O ASN X 43 32.968 -61.125 -38.971 1.00109.43 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- I2G61 CB ILEX 44 35.195 -59.096 -36.0I& 1.00-71.39 MOL3 C

ATOM 12262 CG2 ILE I 44 36.374 -58.488 -36.736 1.00 77.24 M0L3 C

ATOM 12263 CGI ILE I 44 34.335 -58.031 -35.359 1.00 62.95 M0L3 C

ATOM 12264 CD1 IDE I 44 35.046 -57.323 -34.262 1.00 60. B2 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 M0L3 O

ATOM 12267 N GLU X 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 1.00103.60 MOL3 C

ATOM 12272 OE1 GLU I 45 28.517 -58.303 -39.013 1.00106.90 MOL3 O

ATOM 12273 0E2 GLU I 45 30.302 -57.325 -39.871 1.00104.63 MOL3 O

ATOM 12274 C GLU I 45 30.226 -61.127 -36.290 1.00 70.37 M0L3 C ATOM 12275 O GLU I 45 29.288 -61.625 -35.674 1.00 75.71 MOL3 O.

ATOM 12276 N SER X 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.ISO -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 X 47 33.884 -64.558 -36.724 1.00 62.29 MOL3 C

ATOM 12284 CB ARG 1 47 35.204 -63.917 -37.163 1.00 59.57 MOL3 C

ATi)M 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 X 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 33.946 -64.853 -35.224 1.00 63.25 M0L3 C ATOM 12292 O ARG I 47 34.722 -65.697 -34.783 1.00 69.03 MOL3 0

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 X 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 -6Ξ.5Β1 -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 -65.151 -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.B25 -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.B63 -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 -6S.054 -29.931 1.00 45.28 M0L3 C

ATOM 12308 CB SER I 50 29.392 -64.456 -28.519 1.00 47.18 M0L3 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 M0L3 M

ATOM 12313 CD PRO I 51 28.056 -65.785 -32.242 1.D0 46.36 M0L3 C

ATOM 12314 CA PRO I 51 23.115 -63.618 -33.314 1.00 43.94 M0L3 C

ATOM 12315 CB PRO I 51 27.623 -64.678 -34.291 1.00 46.00 M0L3 C

ATOM 12316 CG PRO I 51 28.124 -65.997 -33.710 1.00 53.03 M0L3 C

ATOM 12317 C PRO I 51 27.015 -62.633 -33.027 1.00 42.77 M0L3 C ATOM 12318 O PRO X 51 26.266 -62.804 -32.079 1.00 50.02 M0L3 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 25.342 -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 M0L3 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 M0L3 C

ATOM 12324 CE2 TRP I 52 29,362 -57.675 -33.024 l. 00 41.06 MOL3 C

ATOM- 1-23-25 CEO TRP I 52 29.475 -59.771 -31.948 1,88 52.68 MOL·3 C

ATOM 12326 GDI TRP X 52 27.219 -57.5 76 -33.629 1.00 45.22 M0L3 C ATOM 12327 NE1 TRP I 52 28.423 -56.926 -33.679 1.00 44.52 M0L3 N ATOM 12328 CZ2 TRP I 52 30.706 -57.431 -32.809 1.00 42.81 M0L3 C ATOM 12329 CZ3 TRP I 52 30.812 -59.525 -31.634 1.00 54.69 M0L3 C ATOM 12330 CH2 TRP I 52 31.413 -58.364 -32.112 1.00 50.64 M0L3 0 ATOM 12331 C TRP I 52 25.559 -59.825 -34.937 1.00 47.78 MOL3 C ATOM 12332 O TRP I 52 26.4S2 -59.611 -35.751 1.00 57.91 MOL3 0 ATOM 12333 N ASN I S3 24.318 -59.379 -35.102 1.0047.44 MOL3N 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 -35.697 1.00 59.42 MOL3 C ATOM 12336 CG ASN I 53 22.321 -60.215 -37.296 1.00 72.49 MOX3 C ATOM 12337 OD1 ASK 1 53 21.503 -61.011 -36.818 1.00 80.15 MOL3 O ATOM 12338 ND2 ASK X 53 23.068 -60.500 -38.360 1.00 76.42 M0L3 N ATOM 12339 G ASN X 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 MOX3 C ATOM 12344 CG TYR I 54 26.588 -54.204 -36.862 1.00 73.74 M0L3 C ATOM 12345 CD1 TYR I 54 27.695 -54.760 -37.479 1.00 79.03 M0L3 C ATOM 12346 CE1 TYR X 54 28.954 -54.712 -36.888 1.00 85.47 MOL3 C ATOM 12347 CD2 TYR X 54 26.770 -53.603 -35.627 1.00 80.28 M0L3 C ATOM 12348 CE2 TYR I 54 28.027 -53.551 -35-026 1.00 85.95 M0L3 C ATOM 12349 C2 TYR I 54 29.116 -54.106 -35.665 1.00 85.84 M0L3 C ATOM 12350 OH TYR X 54 30.374 -54.042 -35.095 1.00 89.54 F10X3 O ATOM 12351 C TYR I 54 22.761 -54.287 -37.299 1.00 58.45 M0L3 C ATOM 12352 O TYR I 54 22.101 -54.940 -38.082 1.00 64.52 M0L3 O ATOM 12353 N THR I 55 22.432 -53.089 -36.872 1.00 59.53 MOX3 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 X 55 19.817 -54.074 -36.18B 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 MOX3 O ATOM 12360 N VAX I 56 21.423 -50.318 -38.428 1.00 68.68 MOL3 N ATOM 12361 CA VAX I 56 21.721 -48.896 -38.473 1.00 66.68 MOX3 C ATOM 12362 CB VAX X 56 22.607 -48.547 -39.683 1,00 65.22 MOX3 C ATOM 12363 CGI VAX I 56 23.143 -47.126 -39.538 1.00 64,85 M0X3 C ATOM 12364 CG2 VAX X 56 23,734 -49.553 -39.B18 1.00 70.15 MOL3 C ATOM 12365 C VAX 1 56 20.494 -48.006 -38.564 1,00 £5.12 M0L3 C ATOM 12366 O VAX I 56 19.517 -48.338 -39.224 1.00 50.43 MOX3 O ATOM 12367 N THR X 57 20.540 -46.873 -37.882 1.00 63.18 MOX3 N ATOM 12368 CA THR I 57 19.450 -45.922 -37.985 1.00 65.41 M0L3 C ATOM 12369 CB THR I 57 18.649 -45.749 -36.682 1.00 64.42 M0L3 C ATOM 12370 OG1 THR X 57 19.343 -44.880 -35.778 1.00 52.37 MOH3 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 59.15 MOL3 C ATOM 12373 O THR I 57 21.212 -44.273 -37.913 1.00 68.91 MOL3 0 ATOM 12374 N TRP I 58 19.421 -43.367 -39.243 1.00 56.81 MOX3 N ATOM 12375 CA TRP X 58 19.950 -42.598 -39.706 1.00 65.75 MOX3 C ATOM 12376 CB TRP X 58 2D.240 -42.632 -41.218 1.00 69.27 MOX3 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 MOX3 C ATOM 12379 CE2 TRP 1 5B 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 MOX3 C ATOM 12381 CD1 TRP I 58 21.857 -40.659 -41.496 1.00 67.42 MOX3 C ATOM 12382 NE1 TRP I 5B 21,826 -39.386 -42.008 1.00 72.38 MOL3 K ATOM 12383 CZ2 TRP I 58 20.112 -38.056 -43.266 1.00 72.82 MOX3 C ATOM 12384 CZ3 TRP I 58 18.076 -39.306 -43-657 1.00 76.30 MOX3 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 M0L3 C ATOM 12387 0 TRP I 58 17.832 -41.524 -39.787 1.00 60.74 MOL3 0 ATOM 12388 N ASP I 59 19,500 -40.431 -38.770 1.00 60.51 MOL3 N ATOM 12389 CA ASP I 59- Iff.696 -39.254 -38.500- 1.00 62.68 PIOX3 C

ATOM 12390 CB ASP I 59 18.259 -39.172 -37.045 1.00 63.73 MOL3 0 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 72.8B MOL3 0 ATOM 12393 OD2 ASP I 59 17.507 -36.979 -37.605 1.00 73.48 MOB3 0 ATOM 12394 C ASP I 59 19.530 -38.040 -38.834 1.00 69,37 M0L3 C ATOM 12395 O ASP I 59 20.581 -37.792 -38.228 1.00 70.12 MOL3 0 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 €8.92 MOL3 C ATOM 12398 CA PRO I 60 19.614 -36.019 -40.363 1.00 73.74 MOL3 C ATOM 12399 CB PRO X 60 18.524 -35.5B0 -41.318 1.00 75.30 MOL3 C ATOM 12400 CG PRO X 60 17.2B0 -35.993 -40.566 1.00 67.02 MQL3 C ATOM 12401 C PRO I 60 19. Β7Ξ -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 1 61 19.146 -33.980 -37.191 1.00 70.67 MOL3 C ATOM 124 05 CB ASN I 61 17,750 -33.541 -36.7 65 1.00 73.6 0 MOL3 C ATOM 12406 CG ASN I 61 17.078 -32.679 -37.794 1.00 80.65 KOL3 C ATOM 12407 OD1 ASN X 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 95.54 KOB3 N ATOM 12409 C ASN I 61 19.850 -34.551 -35.981 1.00 69.03 KOU3 C ATOM 12410 O ASN I 61 19.536 -34.189 -34.853 1.00 67.81 MOU3 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 MOU3 C ATOM 12413 CB ARG I 62 20.895 -37.376 -34.682 1.00 74.15 MOL3 C ATOM 12414 CG ARG 1 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 MOI.3 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 MOE3 C ATOM 12418 NB1 ARG 1 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 -36.753 -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 1 63 25.255 -36.077 -34.802 1.00 60.87 MOU3 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 12423 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 2.00 70.11 MOB3 C ATOM 12431 OH TYR X 63 31.491 -35.467 -35.605 1.00 81.28 MOB3 O ATOM 12432 C TYR 1 63 25.851 -36.918 -33.697 1.00 57.17 MOL3 C ATOM 12433 O TYR I 63 25.305 -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 MOI.3 N ATOM 12435 CD PRO I 64 27.073 -39.001 -33.124 1.00 60.20 MOI.3 C ATOM 12436 CA PRO I 64 26.456 -38.585 -35.423 1.00 56.37 MOI.3 C ATOM 12437 CB PRO I 64 27,402 -39.777 -35.309 1.00 62.30 MOI.3 C ATOM 12433 CG PRO 1 64 27.140 -40.277 -33.933 1.00 62.78 MOI.3 C ATOM 12439 C PRO 1 64 25.081 -38.973 -35.959 1.00 56.35 MOI.3 C ATOM 12440 Q PRO I 64 24.187 -39.324 -35.189 1.00 47.16 MOI.3 0 ATOM 12441 N SER 1 65 24.925 -38.902 -37.282 1,00 58.87 MOI.3 N ATOM 12442 CA SER 1 65 23,662 -39.223 -37.935 1.00 58.52 MOL3 C ATOM 12443 CB SER 1 65 23.677 -38.729 -39.372 1,00 61.77 M0L3 C ATOM 12444 OG SER I 65 24.803 -39.262 -40.D56 1.00 78.46 MOL3 O ATOM 12445 C SERI 65 23.354 -40.710 -37.908 1.00 60.17 MQL3 C ATOM 12446 O SER X 65 22.210 -41.09B -37.696 1.00 61.52 MOL3 O ATOM 12447 N GLU X 66 24.355 -41.552 -38.135 1.00 62.50 MOL3 N ATOM 12448 CA GLU 1 66 24.111 -42.987 -30,092 1.00 60.91 MOL3 C ATOM 12449 CB GLU X 66 24.940 -43.722 -39.148 1.00 69.71 M0L3 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 1.00101.15 MOL3 C ATOM 12452 QE1 GLU I 66 24.461 -45.203 -42.482 1.00106.35 MOL3 O ATOM 22453 OER GtU 1 66 26.2U7 -45.09R -42.232 2,0tr2&2.75 MOL3 O ATOM 12454 C GLU I 66 24.449 -43.539 -35.715 1.00 57.38 M0L3 C ATOM 12455 0 GLU I 55 25.476 -43.172 -35.121 1.00 57.75 M0L3 O ATOM 12456 N VAL X 57 23,562 -44.356 -36.192 1.00 50.57 M0L3 N ATOM 12457 CA VAL I 67 23.791 -44.995 -34.896 1.00 52.97 M0L3 C ATOM 12458 CB VAL I 67 22.824 -44.501 -33.808 1.00 49.35 MOL3 C ATOM 12459 CS1 VAL I 67 23.160 -45.182 -32.498 1.00 45.91 MOL3 C ATOM 12460 C32 VAL X 67 22.947 -43.010 -33.634 1.00 51.36 M0L3 C ATOM 12461 C VAL I 67 23.585 -46.489 -35.074 1.00 51.44 M0L3 C ATOM 12462 O VAL I 67 22.486 -46.940 -35.371 1.00 41.82 M0L3 0 ATOM 12463 N VAL I 68 24.648 -47.251 -34.878 1.00 52.20 M0L3 N ATOM 12464 CA VAL I 68 24.579 -48.676 -35.072 1.00 52.82 MQL3 C ATOM 12465 CB VAL I 68 25.814 -49.132 -35.834 1.00 54.27 M0L3 C ATOM 12466 CGI VAL I 68 25.583 -50.485 -35.462 1.00 57.06 M0L3 C ATOM 12467 CG2 VAL I 6S 26.162 -48.097 -36.865 1.00 53.35 M0L3 C ATOM 12468 C VAL I 68 24.478 -49.449 -33.758 1.00 55.29 M0L3 C ATOM 12469 D VAL I 68 25.310 -49.277 -32.857 1.00 57.52 M0L3 O ATOM 12470 N GLN I 69 23.456 -50.305 -33,696 1.00 51.88 M0L3 N ATOM 12471 CA GLN I 69 23.185 -51.160 -32.541 1.00 46.59 M0L3 C ATOM 12472 CB GLN I 69 21.748 -50.952 -32.073 1.00 37.10 MOL3 C ATOM 12473 CG GLN X 69 21.416 -49.586 -31.518 1.00 40.21 NIOL3 C ATOM 12474 CD GLN I 69 21.661 -49.476 -30.031 1.00 45.80 M0L3 C ATOM 12475 OE1 GLN I 69 21.584 -50.467 -29.305 1.00 62.60 MOL3 O ATOM 12476 NE2 GLN X 69 21.930 -48.258 -29.561 1.00 41.98 MOL3 N ATOM 12477 C GLN X 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 0 ATOM 12479 N ALA I 70 24.012 -53.398 -32.050 1.00 49.34 M0L3 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 MQL3 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 X 71 20,849 -57.890 -32.222 1.00 39.93 M0L3 C ATOM 12487 CG GLN I 71 20.362 -56.569 -32.754 1.00 58.72 MOL3 C ATOM 12488 CD GLN X 71 19.086 -56.745 -33.573 1.00 78.54 MOL3 C ATOM 12489 ΟΞ1 GLN I 71 19.117 -57.265 -34.696 1.00 83.05 M0L3 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 -59.256 -31.376 1.00 38.43 M0L3 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 M0L3 N ATOM 12494 CA CYS X 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 0 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 12ΞΟ0 CA ARG X 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 12Ξ02 CG ARG I 73 23.371 -63.034 -35.193 1.00 60.70 IMOL3 C ATOM 12503 CD ARG X 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 X 73 22.134 -63.468 -38.273 1.00 93.66 MOL3 N ATOM 12507 NH2 ARG X 73 22.548 -65.698 -38.554 1.00 97.47 MOL3 N ATOM 12508 C ARG X 73 22.102 -65.096 -32.251 1.00 57.97 MOL3 C ATOM 12509 D ARG I 73 21.099 -65.649 -32.725 1.00 58.89 MOL3 0 ATOM 12510 N ASN X 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 X 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 Cr ASN I 74- 22.634 -65.597 -28.500- 1.00 62.19- MOL2 O'

ATOM 12518 N LEU I 75 21.794 -67.660 -28.314 1.00 59.20 MOL3 N ATOM 12519 CA LEU X 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 M0L3 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 25.8B7 -69.346 -27.210 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 M0L3 O ATOM 12534 CB CYS X 77 29.436 -69.457 -27.114 1.00 76.04 MOL3 C ATOM 12535 SG CYS X 77 29.104 -68.363 -25.697 1.00 92.75 M0L3 S ATOM 12536 N XLE I 78 29.269 -70.413 -29.975 1.00 86.64 M0L3 N ATOM 12537 CA XLE I 7B 29.518 -71.349 -31,060 1.00 91.28 MOL3 C ATOM 12538 CB XLE 1 78 29.297 -70.624 -32.385 1.00 83.06 MOL3 C ATOM 12539 C32 ILE 1 7B 29.81Ξ -71.450 -33.536 1.00 81.37 MOL3 C ATOM 12540 CGI XLE I 78 27.815 -70.282 -32.515 1,00 75.71 MOL3 C ATQM 12541 CD1 ILE I 78 27.472 -69.576 -33.795 1.00 79.68 M0L3 C ATOM 12542 C ILE I 78 30.921 -71.973 -31.023 1.00100.86 MOL3 C ATOM 12543 C ILE I 78 31.894 -71.298 -30.694 1.00102.48 M0L3 O ATOM 12544 N ASM I 79 31.018 -73.262 -31.351 1.00111.20 MOL3 H ATOM 12545 CA ASK I 79 32.303 -73.962 -31.356 1.00121.64 MOL3 C ATOM 12546 CB ASN I 79 32.139 -75.397 -30.839 1,00129,98 MOL3 C ATOM 12547 CG ASM 1 79 32.170 -75.485 -29.314 1.00139.44 MOL3 C ATOM 12548 GDI ASN 1 79 33.107 -75.005 -28.667 1.00142.26 MOL3 O ATOM 12549 ND2 ASN I 79 31.148 -76.111 -28.737 1.00142.57 MOL3 N ATOM 12550 C ASM I 79 32.934 -74.003 -32.746 1.00123.95 MOL3 C ATOM 12551 0 ASN I 79 32.720 -73.106 -33.562 1.00123.14 MOL3 O ATOM 12552 N ALAI 80 33.724 -75.044 -32.997 1.00127.12 MOL3 N ATOM 12553 CA ALAI 80 34.384 -75.220 -34.285 1.00131.19 MOL3 C ATOM 12554 CB ALA I 80 35.306 -76.430 -34.238 1.00130.77 MOL3 C ATOM 12555 C ALA I 80 33.308 -75.412 -35.348 1.00133.79 MOL3 C ATOM 12556 O ALAI 80 33.173 -76.490 -35.933 1.00130.81 MOL3 O ATOM 12557 N GLN I 81 32,546 -74.347 -35.582 1.00137.91 MOL3 N ATOM 12558 CA GLN I B1 31.453 -74.349 -36.545 1.00141.10 MOL3 C ATOM 12559 CB GIN I 81 31.984 -74.637 -37.957 1.00144.01 MOL3 C ATOM 12560 CG GLN X 81 32.170 -73.385 -38.827 1.00146.30 M0L3 C ATOM 12561 CD GLN I B1 33.159 -72.368 -38.252 1.00148.19 MOL3 C ATOM 12562 OE1 GLN I 81 33.2S4 -71.239 -38.741 1.00147.01 MOL3 O ATOM 12563 NE2 GLN I 81 33.900 -72.767 -37.221 1.00146.34 MOL3 N ATOM 12564 C GLN I 81 30.416 -75.388 -36.130 1.00139.64 MOL3 C ATOM 12565 O GLN I 81 29.576 -75.802 -36.927 1.00140.30 MOL3 O ATOM 12566 N GLY 1 82 30.473 -75.783 -34.861 1.00137.81 MOL3 N ATOM 12567 CA GLY I 82 29.551 -76.784 -34.354 1.00135.11 MOL3 C ATOM 12568 C GLY I 82 28.377 -76.274 -33.539 1.00129.16 MOL3 C ATOM 12569 Q GLY I 82 28.085 -76.804 -32.471 1.00130.23 MOL3 O ATOM 12570 N LYS I 83 27.694 -75.258 -34.050 1.00122.11 M0L3 N ATOM 12571 CA LYS 1 83 26.539 -74.677 -33.375 1,00117.25 MOL3 C ATOM 12572 CB LYS I 83 25.254 -75.436 -33.743 1.00121.48 MOL3 C ATOM 12573 CG LYS I 83 24.451 -74.758 -34.864 1.0012B.67 MOL3 C ATOM 12574 CD LYS I 83 23.099 -75.426 -35.132 1.00129.79 MOL3 C ATOM 12575 CE LYS I 83 22.257 -74.616 -36.129 1.00128.95 MOL3 C ATOM 12576 N2 LYS I 83 21.B75 -73.259 -35.619 1.00124.03 MOL3 N ATOM 12577 C LYS I 83 26.619 -74.518 -31.856 1.00112.18 MOL3 C ATOM 12578 0 LYS I 83 27.612 -74.877 -31.215 1.00106.52 MOL3 O ATOM 12579 N GLU I 84 25.539 -73.963 -31.308 1.00108.47 MOL3 N ATOM 12580 CA GLU I 84 25.384 -73.651 -29.889 1,00102.61 MOL3 C ATOM 12581 CB SLU I 84 23.333- -73.403 -29.565 1.00104.06 MOL2 C atom 125B2 CG GLD X 84 23.277 -72.227 -30.3X5 1.00110.83 MOL3 C ATOM 12583 CD GLU X 84 21.986 -71.716 -29.684 1.00115.94 MOL3 C ATOM 12584 OE1 GLU X 84 22.013 -71.322 -28.499 1.00114.2B MOL)3 O ATOM 12585 OE2 GLU I 84 20.945 -71.696 -30.376 1.00122.04 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 1.00101.79 MQL3 O ATOM 12588 N ASP X 85 26.291 -74.075 -27.709 1.00 86.77 MOL3 N ATOM 12589 CA ASP I 85 25.805 -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 M0L3 C ATOM 12591 CG ASP I 85 28.916 -75.526 -25.363 1.00100.36 MOL3 C ATOM 12592 OD1 ASP I 85 30.156 -75.709 -25.315 1.00105.99 M0L3 O ATOM 12533 OD2 ASP I 85 28.141 -75.894 -24.451 1.00101.76 MOL3 0 ATOM 12594 C ASP I 85 26.270 -74.110 -25.389 1.00 76.14 M0L3 C ATOM 12595 O ASP I 85 27.017 -73.467 -24.671 1.00 76.99 M0L3 0 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 XLE I 86 22.878 -73.B08 -23.919 1.00 74.81 MOL3 C ATOM 12599 CG2 ILE I B6 22.090 -72.495 -24.005 1.00 65.53 MOL3 C ATOM 126 00 CGI ILE I 86 22.43 7 -74.793 -25.013 1.00 7 3.50 M0L3 C ATOM 12601 CD1 ILE I 86 21.899 -74.141 -26.301 1.00 81.27 M0L3 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 -72.95B -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.B36 -74.532 -21.368 1.00 73. B9 MOL3 C ATOM 12606 CB SER I 87 28.135 -75.314 -21.632 1.00 74.46 MOL3 C ATOM 12607 ΟΘ SER I 87 28.957 -75.400 -20.477 1.00 01.93 M0L3 O ATOM 12608 C EER 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 l.DD 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. B44 -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 B8 31.469 -71.803 -23.597 1.00 70.24 MOL3 C ATOM 12616 C MET I 88 27.DIB -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 M 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 MOI.3 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 -66.327 -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 12531 O SER I 90 24,685 -63.965 -25.010 1.00 42.52 MOL3 0 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 CGI 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 1.0D 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 12545 O- PRO" I 92 26.527--57.265 -22.222 1.22 26.22 MOL2 O' ATOM 12646 N ILE X 93 27.379 -56.407 -25.092 1.00 54.33 MOL3 N ATOM 12647 CA ILE I 93 28.262 -55.4S1 -24.416 1.00 58.28 MOL3 C ATOM 12648 CB ILE I 93 29.6S8 -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 CGI ILE I 93 30.290 -56.893 -24.456 1.D0 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 0 ILE I 93 27.652 -53.741 -25.975 1.00 48,66 MOL3 0 ATOM 12654 N GLN I 94 27.340 -53.308 -23.794 1.00 50.70 MOL3 N ATOM 12655 CA GLN X 94 26.762 -52.009 -24.069 1.00 54.91 MOL3 C ATOM 12656 CB GLN 1 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 M0L3 C ATOM 12662 O GLN I 94 28.312 -50.972 -22.S73 1.00 69.65 MOL3 O ATOM 12663 N GLN I 95 27.503 -49.730 -24.264 1.00 60.06 M0L3 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 MDL3 C ATOM 12668 OE1 GLN I 95 31.208 -45.828 -22.858 1.00 96.45 M0L3 O ATJJfl 12669 ME2 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.B7 M0L3 C ATOM 12671 O GLN I 95 26.599 -47,206 -24.995 1.00 57.72 M0L3 O ATOM 12672 H 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 65.31 MOL3 C ATOM 12674 CB GLU I 96 26.145 -44.318 -21.625 1.00 7B.65 MOL3 C ATOM 12675 CG GLU I 96 27,317 -44.392 -20.736 1.00102.84 M0L3 C ATOM 12676 CD GLU I 96 27.760 -42.943 -20.959 1.00111.84 MOL3 C ATOM 12677 OBI GLU I 96 28.603 -42.446 -20.171 1.00115.81 MOL3 0 ATOM 12678 OE2 GLU I 96 27.270 -42.303 -21.918 1.00114.58 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 THE. I 97 26.630 -43.600 -24.754 1.00 57.04 M0L3 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 M0L3 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 M0L3 O ATOM 12688 N LBU 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 38 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 M0L3 C ATOM 12695 O LEU I 98 26.981 -39.116 -2Β.Ξ76 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 Ξ2.31 MOL3 C ATOM 12699 CGI VAL I 99 24.341 -39.985 -30.065 1.00 46.8B 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 MGL3 C ATOM 12705 CB VAL I 100 24.520 -33.140 -30.701 1.00 66.60 MOL3 C ATOM 12706 CGI VAL I 100 23.852 -31.7B0 -30.594 1,00 59.29 MOL3 C ATOM 12707 CG2 VAL I 100 25.724 -33.234 -29.767 1.00 65.89 M0L3 C ATOM 12708 C VAL I 100 22.319 -34.126 -31.259 1.00 69.08 MOL3 C ATOM 12709 a VAL I 100 22.312 -34. S91 -32.364 1.00 69.87 MOL3 £r

A7QM 12710 N ARG I 101 21.295 -33.429 -30.753 1.00 71.73 M0L3 N ATOM 12711 CA ARG 1 101 20.058 -33.213 -31.508 1.00 79.13 M0L3 C ATOM 12712 CB ARG I 101 18.830 -33.495 -30.651 1.00 73.61 M0L3 C ATOM 12713 CG ARG X 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 1271S ME- ARG X 101 16.550 -36.434 -30,010 1.00103.33 M0L3 N ATOM 12716 CZ ARG I 101 16.804 -37.055 -31.986 1.00108.63 MOL3 C ATOM 12717 SHI ARG I 101 17.448 -36.379 -32.931 1.00110.19 M0L3 N ATOM 12718 NH2 ARG I 101 16,426 -38.308 -32.219 1.00113.00 M0L3 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 M0L3 0 ATOM 12721 N ARG I 102 19.580 -31.638 -33.261 1.00 91.94 M0L3 N ATOM 12722 CA ARG X 102 19.451 -30.335 -33.890 1.00 99.79 M0L3 C ATOM 12723 CB ARG I 102 19.955 -30.409 -35.339 1.00104.81 M0L3 C ATOM 12724 CG ARG I 102 19.914 -29,036 -36.111 1.00112.01 M0L3 C ATOM 12725 CD ARG I 102 20.666 -29.184 -37.445 1,00118.63 MOL3 C ATOM 12726 NE ARG I 102 19.903 -29.846 -38.504 1.00127.04 MOL3 N ATOM 12727 CZ ARG X 102 20.370 -30.068 -39.732 1.00131.04 MOL3 C ATOM 12728 NH1 ARG I 102 21.601 -29.683 -40.051 1.00133.41 M0L3 N ATOM 12729 KH2 ARG I 1D2 19.609 -30.664 -40.646 1,00128.01 M0L3 N ATOM 12730 C ARG I 102 17.976 -29.971 -33.864 1.00105.49 M0L3 C ATOM 12731 O ARG X 102 17.241 -30.310 -34.788 1.00109.22 MOL3 O ATOM 12732 N LYS I 103 17.545 -29.291 -32.802 1.00111.48 M0L3 N ATOM 12733 CA LYS X 103 16.146 -2B.835 -32.643 1.00117.54 M0L3 C ATOM 12734 CB LYS I 103 15.833 -28.638 -31.160 1.00114.22 MOL3 C ATOM 12735 CG LYS I 103 15.448 -29.891 -30.377 1.00117.65 M0L3 C ATOM 12736 CD LYS I 103 15.551 -29.639 -28.866 1.00120.97 MOL3 C ATOM 12737 CE LYS I 103 14.681 -28.538 -28.376 1.00128.40 MOL3 C ATOM 12738 KZ LYS I 103 14,856 -28.264 -26.912 1.00132.06 M0L3 N ATOM 12739 C LYS I 103 15.766 -27.644 -33.451 1.00123.80 M0L3 C ATOM 12740 0 LYS I 103 16.535 -26.684 -33.532 1.00123.83 MOL3 O ATOM 12741 N HIS I 104 14.571 -27.673 -34,041 1.00130.52 MIOL3 N ATOM 12742 CA HIS I 104 14.047 -26.564 -34.845 1.00134.60 MOL3 C ATOM 12743 CB HIS I 104 14.198 -25.242 -34.097 1.00130.27 MOL3 C ATOM 12744 CG HIS I 104 13.721 -25.292 -32.684 1.00128.01 MOL3 C ATOM 12745 CD2 HIS I 104 12.613 -25.843 -32.136 1.00128.00 MOL3 C ATOM 12746 ND1 HIS X 104 14.426 -24.728 -31.644 1.00128.90 MOL3 N ATOM 12747 CE1 HIS I 104 13.774 -24.931 -30.513 1.00129.69 M0L3 C ATOM 12748 NE2 HXS X 104 12.670 -25.605 -30.7B4 1.00129.66 MOL3 N ATOM 12749 C HIE X 104 14,737 -26.432 -36.199 1.00139.28 MOL3 C ATOM 12750 O HIS X 104 15.706 -27.133 -36.492 1.00139.83 MOL3 O ATOM 12751 N GIN I 105 14.238 -25.501 -37.011 1.00142.80 MOL3 N ATOM 12752 CA GLN X 105 14.777 -25.262 -38.347 1.00145.64 MOL3 C ATOM 12753 CB GLN I 105 13.723 -25.624 -39.406 1.00147.69 MOL3 C ATOM 12754 CG GLN I 105 13.031 -25.9B5 -39.232 1.00151.62 MOL3 C ATOM 12755 CD GLN I 105 11.997 -27.015 -38.106 1.00152.19 MOL3 C ATOM 12756 OE1 GLN I 105 11.128 -26.144 -38.018 1.00153.16 MOL3 O ATOM 12757 NE2 GLN I 105 12.078 -28.035 -37.251 1.00150.44 MOL3 N ATOM 12758 C GLN I 105 15.187 -23.799 -38.550 1.00145.76 MOL3 C ATOM 12759 O GLN I 105 14.914 -22.940 -37.708 1.00145.60 MOL3 O ATOM 12760 N GLY X 106 15.839 -23.529 -39.679 1.00145.04 MOL3 N ATOM 12761 CA GLY X 106 16.251 -22.174 -40.002 1.00144.36 MOL3 C ATOM 12762 C GLY I 106 17.161 -21.468 -39.013 1.00143.06 MOL3 C ATOM 12763 O GLY I 106 18.148 -22.034 -38.552 1.00142.81 MOL3 O ATOM 12764 N CYS I 107 16.815 -20.221 -38.699 1.00142.79 MOL3 N ATOM 12765 CA CYS I 107 17.573 -19.367 -37.780 1.00143.20 M0L3 C ATOM 12766 C CYS X 107 17.387 -19.764 -36.331 1.00140.21 MOL3 C ATOM 12767 O CYS X 107 18.243 -19.505 -35.482 1.00138.31 MOL3 O ATOM 12768 CB CYS I 107 17.098 -17.915 -37.891 1.00148.55 MOL3 C ATOM 12769 SG CYS I X07 17,213 -17.129 -39.526 1.00155.31 MOL3 S ATOM 12770 W SER I 108 16.234 -20.351 -36.050 1.00138.28 MOL3 N ATOM 12771 CA SER I 108 15.896 -20.757 -34.694 1.00138.03 MOL3 C ATOM 12772 CB SER I 108 14,376 -20.692 -34.511 1.00138.19 MOL3 C ATOM 127-73 0(3 SER I ICR 13.704 -21.114 -35.683 1.00138.08 MOL·3 O

ATOM 12774 C SEE I 108 16.422 -22.147 -34.33B 1.00136.26 M0L3 C ATOM 12775 0 SER I 108 15.731 -22.939 -33.695 1.00137.24 M0L3 O ATOM 12776 N VAL I 109 17.661 -22.422 -34.734 1.00132.37 M0L3 N ATOM 12777 CA VAL I 109 18,282 -23.717 -34.484 1.00126.45 M0L3 C ATOM 1277B CB VAL I 109 19.198 -24.112 -35.670 1.00125.21 MOL3 C ATOM 12779 CGI VAL I 109 20.443 -23.251 -3Ξ.675 1.00126.29 MOL3 C ATOM 12780 CG2 VAL X 109 19.562 -25.574 -3Ξ.5Β8 1.00127.65 MOL3 C ATOM 127B1 C VAL X 109 19.085 -23.796 -33.179 1.00123.63 MOL3 C ATOM 12782 O VAL I 109 19.935 -22.946 -32.890 1.00120.91 M0L3 O ATOM 127B3 N SER I 110 18.796 -24.B32 -32.395 1.00119.29 M0L3 N ATOM 12784 CA SER 1 110 19.472 -25.071 -31.125 1.00112.29 MOL3 C ATOM 12785 CB SER I 110 IB.498 -24.893 -29.965 1,00112.58 MOL3 C ATOM 127B6 OG SER I 110 17.440 -25.831 -30.066 1.00113.59 MOL3 O ATOM 12787 C SER 1 110 19.986 -26.500 -31.121 1,00107.33 MOL3 C ATOM 12788 O SER I 110 19.546 -27.326 -31.921 1.00108.34 MOL3 O ATOM 12789 N PHE I 111 20.911 -26.793 -30.215 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 KOL3 C ATOM 12793 CD1 PHE X 111 22.015 -27.971 -32.925 1.00 87.43 MOL3 C ATOM 12794 CD2 PHE I 111 24.159 -27.059 -32.47B 1.00 91.02 MOL3 C ATOM 12795 CE1 PHE X 111 22.124 -27.620 -34.242 1.00 87.09 MQL3 C ATOM 12796 CE2 PHE I 111 24.276 -26.703 -33.805 1.00 94.27 KOL3 C ATOM 12797 CZ PHE I 111 23.235 -26.985 -34.68B 1.00 92.34 M0L3 C A^Sm 12798 C PHE I 111 21.392 -28.668 -28.716 1.00 89.67 M0L3 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 M0L3 C ATOM 128 02 CB GLN I 112 19,372 -30.648 -26.857 1.00 82.76 MOL3 C ATOM 12803 CG GtiN I 112 19.162 -30.717 -25.349 1.00 88.40 M0L3 C ATOM 12804 CD GLN X 112 17.699 -30.676 -24.935 1.00 88,82 M0L3 C ATOM 12805 OE1 GLN I 112 17.387 -30.631 -23.742 1.00 88.63 MOL3 0 ATOM 128D5 HE2 GLN 1 112 16.797 -30.693 -25.913 1.00 86.67 MOL3 N ATOM 128D7 C GLN I 112 21.569 -31.885 -27.191 1.00 84.79 MOL3 C ATOM 12808 O GLN 1 112 21.5B8 -32.649 -28.169 1.00 86.05 MOL3 O ATOM 12B09 N LEU I 113 22.176 -32.165 -26.038 1.00 77.59 MOL3 N ATOM 12810 CA LEU 1 113 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 1 113 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 0 LEU I 113 21,606 -34.647 -24.251 1.00 75.6S MOL3 O ATOM 12817 H GLU I 114 21.864 -35.564 -26.275 1.00 77.60 MOL3 N ATOM 12B18 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 M0L3 O ATOM 12823 OE2 GLU X 114 17.045 -38.224 -27.741 1.00103.13 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 73.33 MOL3 O ATOM 12826 H LYS I 115 21.541 -38.761 -24.670 1.00 66.56 MOL3 N ATOM 12827 CA LYS X 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 6 8.17 MOL3 C ATOM 12830 CD LYS X 115 24.048 -40.283 -20.821 1.00 73.57 MOD3 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 25.805 -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 0 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 H ATOM 12836 CA VAL I 116 22.005 -43,244 -25.931 1.00 60.63 MOL3 C ATOM 12037 CB- VAL I 116 21.817 -42.260' -27.455 l.OG 56.20 Í4QL3 C

ATOM 1233 8 CGI VAL I lie 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 M0L3 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 M0L3 N ATOM 12B43 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 12345 CG LEU I 117 23.098 -4a.056 -22.763 1.00 64.44 MOL3 C ATOM 12346 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 12348 C LEU I 117 22.952 -47.630 -26.046 1.00 57.49 MOL3 C ATOM 12949 O LEU I 117 21.944 -47.996 -25.653 1.00 55.99 M0L3 O ATOM 12950 N VAL X 118 24.181 -47.982 -26.387 1.00 52.53 MOL3 N ATOM 12851 CA VAL X 118 24,427 -48.784 -27.563 1.00 53.37 MOL3 C ATOM 12852 CB VAL I 118 25.419 -43.063 -28.487 1.00 54.52 MOL3 C ATOM 12853 CGI 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 -2B.643 1.00 52.59 MOL3 C ATOM 12855 C VAL X 118 25.001 -50.160 -27.289 1.00 53.89 MOL3 C ATOM 12856 O VAL I 118 25.858 -50.346 -25.419 1.00 54.34 MOL3 O ATOM 12857 N THE I 119 24.536 -51.120 -28.067 1.00 51.05 MOL3 N ATOM 12858 CA THE I 119 25.013 -52.472 -27.956 1.00 54.15 MOL3 C ATOM 12859 CB THR X 119 23.935 -53.438 -28.368 1.00 55.88 MOL3 C ATOM 12360 031 THR I 119 22.716 -53.099 -27.694 1.00 56.94 MOL3 O ATOM 12861 CG2 THE I 119 24.356 -54.845 -23.021 1.00 60.72 MOL3 C ATOM 12862 C THR I 119 26.137 -52.552 -2B.966 1.00 54.71 MOL3 C ATOM 12863 O THE I 119 25.BB8 -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 -23.760 1.00 44.49 MOL3 C ATOM 12867 CGI VAL I 120 30.676 -SI.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 12969 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 12371 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 1 121 27.944 -57.068 -27.511 1.00 54.78 M0L3 O ATOM 12875 N CYS I 122 23.702 -53.648 -28.901 1.00 43.59 M0L3 N ATOM 12876 CA CYS 1 122 28.511 -59.690 -27.909 1.00 48.40 M0L3 C ATOM 12877 C CYS I 122 29.792 -60.428 -27.578 1.00 50.48 MOL3 C ATOM 1287Θ 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 12380 SG CYS I 122 25.924 -59.722 -23.788 1.00 53.34 M0L3 S ATOM 12881 N THR I 123 29.847 -60.958 -26.369 1.00 50.67 MOL3 N ATOM 128B2 CA THE I 123 31.010 - 61.6 79 '-25.905 1.00 50.35 MOL3 C ATOM 12883 CB THR X 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 M0L3 O ATOM 12885 CG2 THR I 123 30.845 -60.575 -23.699 1.00 43.06 M0L3 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 M0L3 O ATOM 12888 N CYS I 124 31.242 -64.038 -25.418 1.00 58.71 M0L3 N ATOM 12889 CA CYS X 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 30.438 -6S.695 -21.084 1.00 61.67 MOL3 C ATOM 12B96 CB VAL X 125 29.886 -64.548 -20.263 1.00 58.41 MOL3 C ATOM 12897 CGI VAL I 125 30.311 -64.662 -18.819 1.00 61.93 MOL3 C ATOM 12898 CG2 VAL X 125 30.320 -63.240 -20.B12 1.00 58.83 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 Kr THE I 126 30.566 -67.372 -10.356 1.00 61.71 M0L3 N

ATOM 12902 CA TKR I 126 30.190 -68.S73 -18.649 1.00 65.19 MOL3 C ATOM 12903 CB THR X 126 31.439 '69.374 -18.196 1.00 70.00 M0L3 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 61.05 MOL3 C ATOM 12907 O THR 1 126 29.855 -67.309 -16,639 1.00 5B.44 MOL3 0 ATOM 12908 N PRO I 127 28.169 -68.642 -17.2BB 1.00 61.14 M0L3 N ATOM 12909 CD PRO X 127 27.499 -69.689 -18.074 1.00 58.05 MOL3 C ATOM 12910 CA PRO X 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 -6B.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 0 ATOM 12915 N VAL I 128 27.760 -67.765 -13.803 1.00 67.45 MOL3 N ATOM 12916 CA VAL I 12B 2B.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 CGI VAL I 128 26.783 -66.274 -11.554 1.00 69.54 MOL3 C ATOM 12919 CG2 VAL X 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 0 ATOM 12922 N ILE X 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 1.00103.85 MOL3 C ATOM 12924 CB ILE I 129 28.755 -72.784 -12.216 1.00102.83 M0L3 C ATOM 12925 CG2 ILE I 129 28.240 -74.096 -11.640 1.00102.03 M0L3 C AToil 12926 CGI ILE I 129 28.453 -72.704 -13.721 1.00103.88 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 1.00111.48 M0L3 C ATOM 12929 O ILE I 129 27.350 -72.457 -9.256 1.00113.95 MOL3 O ATOM 12930 N HIE X 130 29.373 -70.817 -9.566 1.00118.09 MOL3 N ATOM 12931 CA HIS I 130 29.833 -70.772 -8.179 1.00123.91 MQL3 C ATOM 12932 CB HIS I 130 30.581 -69.464 -7.923 1.00124.74 MOL3 C ATOM 12933 CG HIS I 130 31.614 -69.160 -8.961 1.00125,86 MOL3 C ATOM 12934 CD2 HIS I 130 32.190 -67,994 -9.336 1.00126.62 MOL3 C ATOM 12935 ND1 HIS 1 130 32.167 -70.136 -9.763 1.00125.37 MOL3 N ATOM 12936 CE1 HIS X 130 33.036 -69.583 -10.589 1.00127.54 MOL3 C ATOM 12937 NE2 HIS I 130 33.069 -68.284 -10.351 1.00129.23 MOL3 N ATOM 12938 C HIS X 130 28.733 -70.954 -7.144 1.00127.61 MOL3 C ATOM 12939 O HIS I 130 28.085 -69.987 -6.725 1.00123.05 MOL3 O ATOM 12940 N HIS I 131 28.554 -72.215 -6.744 1.00134.09 MOL3 ΚΓ ATOM 12941 CA HIS I 131 27.5Ξ8 -72.646 -5.761 1.00139.89 MOL3 C ATOM 12942 CB HIS I 131 28.219 -72.781 -4.3B1 1.00142,14 MOL3 C ATOM 12943 CG HIS X 131 27.313 -73.340 -3.326 1.00146.96 MOL3 C ATOM 12944 CD2 HIS I 131 27.059 -72.932 -2.060 1.00148,14 MOL3 C ATOM 12945 ND1 HIS I 131 26.543 -74.466 -3.527 1,00148.76 MOL3 N ATOM 12946 CE1 HIS I 131 25.854 -74.728 -2.430 1.00148.98 MOL3 C ATOM 12947 NE2 HIS X 131 26.149 -73.812 -1.525 1.00149.64 MOL3 N ATOM 12948 C HIS I 131 26.328 -71.737 -5.674 1.00141.32 MOL3 C ATOM 12949 O HIS I 131 25.507 -71.6B3 -6.597 1.00141.72 MOL3 O ATOM 12950 N VAL I 132 26.201 -71.037 -4.552 1.00139.78 MOL3 N ATOM 12951 CA VAL I 132 25.090 -70.126 -4.335 1.00137.25 MOL3 C ATOM 12952 CB VAL X 132 24.201 -70.599 -3.158 1.00136.71 M0L3 C ATOM 12953 CGI VAL X 132 23.127 -69.569 -2.861 1.00136.10 MOL3 C ATOM 12954 CG2 VAL I 132 23.550 -71.934 -3.507 1.00135.48 MOL3 C ATOM 12955 C VAL X 132 25,675 -68.750 -4.041 1.00136.90 MOL3 C ATOM 12956 O VAL I 132 25.031 -67.730 -4.281 1.00140.65 M0L3 O ATOM 12957 N GLN I 133 26.904 -68.727 -3.528 1.00134.50 MOL3 N ATOM 12958 CA GLN X 133 27.590 -67.470 -3.236 1.00131.12 MOL3 C ATOM 12959 CB GLN I 133 28.826 -67.713 -2.347 1.00127.09 MOL3 C ATOM 12960 CG GLN I 133 29.634 -68.970 -2.689 1.00122.98 MOL3 C ATOM 12961 CD GLN I 133 31.021 -68.986 -2,056 1.00118.67 MOL3 C ATOM 12962 OE1 GLN I 133 31.950 -68.339 -2.548 1.00114.83 MOL3 O ATOM 12963 NE2 GLN I 133 31.165 -69.724 -0.956 1.00114.69 MOL3 N ATOM 12964 C GLN I 133 28.006 -66.794 -4.551 1.00131.31 MOL3 C ATOM 12965 σ GLN I 133 27.812- -65.561 -4.667 l,Crtrl3G.65 MOL2 O ATOM 12966 OXT GLN 1 133 28.520 -67.505 -5.451 1.00129.17 MOL3 Ο

END

Noutro aspeto é proporcionada uma estrutura em cristal compreendendo um epitopo como aqui definido.

Também é proporcionado um método de produção de uma representação tridimensional computorizada empregando 10, 20, 30, 40, 50, 60, 70, 80, 90 ou 100% das coordenadas listadas na Tabela 1.

Também é proporcionado um meio de leitura em máquina que tem nele armazenados dados compreendendo 10, 20, 30, 40, 50, 60, 70, 80, 90 ou 100% de coordenadas listadas na Tabela 1.

Deverá obviamente considerar-se que a presente invenção foi descrita apenas através do exemplo, sem significar, de modo algum, ser limitante, e que as modificações dos detalhes podem ser realizadas no âmbito das reivindicações a seguir. As caracteristicas preferidas de cada forma de realização da invenção são como para cada um das outras formas de realização mutatis mutandis.

Lisboa, 13 de outubro de 2015

Claims (6)

1. REIVINDICAÇÕES 1. Anticorpo neutralizante que se liga a IL-17A humana e A IL-17F humana que se liga a um epitopo de IL-17A humana compreendendo SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 e VAL131 de SEQ ID NO: 21, em que o anticorpo não é um anticorpo compreendendo a sequência dada na SEQ ID N0:1 para CDR-Hl, a sequência dada na SEQ ID NO:2 para CDR-H2, a sequência dada na SEQ ID NO:3 para CDR-H3, a sequência dada na SEQ ID NO:4 para CDR-Ll, a sequência dada na SEQ ID NO:5 para CDR-L2 e a sequência dada na SEQ ID NO:6 para CDR-L3, em que as SEQ ID NOs são apresentadas na Figura 1.
2. 2. Anticorpo neutralizante de acordo com a reivindicação 1, que se liga a um epitopo de IL-17F humana compreendendo um ou mais resíduos selecionados a partir do grupo consistindo em SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET8 8, ASN89, VAL91, PR092, GLN94, THR126, PR0127 e VALI28 de SEQ ID NO:22.
3. 3. Anticorpo neutralizante de acordo com a reivindicação 1 ou reivindicação 2 , que se liga a IL-17A humana, IL-17F humana e heterodímero de IL-17A/F humanas.
4. 4. Anticorpo neutralizante de acordo com qualquer uma das reivindicações 1 a 3, que tem uma afinidade de ligação para IL-17A melhor do que 500 pM.
5. 5. Anticorpo neutralizante de acordo com qualquer uma das reivindicações 1 a 4, para utilização no tratamento de doença inflamatória, doença autoimune ou cancro.
6. 6. Anticorpo neutralizante para utilização de acordo com a reivindicação 5, em que a doença inflamatória é artrite reumatóide. Lisboa, 13 de outubro de 2015